| 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 | 39.1 | Very low | 44.6 | Very low | 57 Ų | 57 | 75.1 Ų | 75.1 | 28% | 0.281 | 47% | 0.47 | S | S | . | . | 0 | -45.2 | 0 | -132.7 | -161.2 | -85.9 | 0 | 0 | 113.4 | A3 Y4 L5 L62 Y67 | M1-A3 PolarHBondContact O-N 3.34Å; M1-Y4 PolarHBondContact O-N 3.31Å; M1-L5 HydrophobicContact CB-CD1 4.12Å; M1-L5 HydrophobicContact CG-CD1 3.54Å; M1-L5 HydrophobicContact CG-CG 3.96Å; M1-L5 VanDerWaalsContact O-CB 3.24Å; M1-L5 WeakPolarHBondContact O-CB 2.84Å; M1-L5 VanDerWaalsContact O-CG 3.24Å; M1-L5 WeakPolarHBondContact O-CG 3.21Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 HydrophobicContact SD-CD1 3.43Å; M1-L5 WeakPolarHBondContact SD-CD1 3.32Å; M1-L5 HydrophobicContact SD-CG 4.35Å; M1-L62 HydrophobicContact CG-CD2 4.07Å; M1-Y67 HydrophobicContact CE-CD2 4.24Å; M1-Y67 HydrophobicContact CE-CE1 3.85Å; M1-Y67 HydrophobicContact CE-CE2 3.41Å; M1-Y67 VanDerWaalsContact CE-CE2 3.41Å; M1-Y67 WeakPolarHBondContact CE-OH 3.32Å | |||
| 2 | G | 41.1 | Very low | 45.7 | Very low | 7 Ų | 7 | 78.8 Ų | 78.8 | 7% | 0.072 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S6 Y183 | G2-S6 PolarHBondContact O-N 3.14Å; G2-S6 VanDerWaalsContact O-N 3.15Å; G2-Y183 VanDerWaalsContact CA-CE1 3.47Å |
| 3 | A | 37.6 | Very low | 47.1 | Very low | 79 Ų | 79 | 78.1 Ų | 78.1 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 | M1-A3 PolarHBondContact O-N 3.34Å |
| 4 | Y | 42.1 | Very low | 48.9 | Very low | 180 Ų | 180 | 77.4 Ų | 77.4 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.4 | -32.2 | 176.6 | -92.3 | -89.1 | 0 | 0 | 0 | 113.2 | M1 | M1-Y4 PolarHBondContact O-N 3.31Å |
| 5 | L | 43.5 | Very low | 50.9 | Low | 20 Ų | 20 | 77.9 Ų | 77.9 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -80.7 | -30.2 | -178.7 | -77.1 | 172.4 | 0 | 0 | 0 | 113.7 | M1 A7 A8 F55 L62 | M1-L5 HydrophobicContact CB-CD1 4.12Å; M1-L5 HydrophobicContact CG-CD1 3.54Å; M1-L5 HydrophobicContact CG-CG 3.96Å; M1-L5 VanDerWaalsContact O-CB 3.24Å; M1-L5 WeakPolarHBondContact O-CB 2.84Å; M1-L5 VanDerWaalsContact O-CG 3.24Å; M1-L5 WeakPolarHBondContact O-CG 3.21Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 HydrophobicContact SD-CD1 3.43Å; M1-L5 WeakPolarHBondContact SD-CD1 3.32Å; M1-L5 HydrophobicContact SD-CG 4.35Å; L5-A7 PolarHBondContact O-N 2.9Å; L5-A8 PolarHBondContact O-N 2.98Å; L5-A8 VanDerWaalsContact O-N 3.13Å; L5-F55 HydrophobicContact CD1-CE2 4.33Å; L5-F55 HydrophobicContact CD1-CZ 4.44Å; L5-F55 HydrophobicContact CD2-CZ 4.12Å; L5-L62 HydrophobicContact CD2-CD1 4.16Å |
| 6 | S | 43.2 | Very low | 52.8 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.9 | -30 | -180 | 93.7 | 0 | 0 | 0 | 0 | 112.1 | G2 A8 | G2-S6 PolarHBondContact O-N 3.14Å; G2-S6 VanDerWaalsContact O-N 3.15Å; S6-A8 VanDerWaalsContact C-N 3.3Å; S6-A8 PolarHBondContact O-N 3.32Å |
| 7 | A | 47.6 | Very low | 54.6 | Low | 90 Ų | 90 | 75.8 Ų | 75.8 | 74% | 0.744 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -13.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L5 | L5-A7 PolarHBondContact O-N 2.9Š|
| 8 | A | 44.3 | Very low | 56.2 | Low | 34 Ų | 34 | 79.4 Ų | 79.4 | 28% | 0.281 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 30.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L5 S6 P10 N58 | L5-A8 PolarHBondContact O-N 2.98Å; L5-A8 VanDerWaalsContact O-N 3.13Å; S6-A8 VanDerWaalsContact C-N 3.3Å; S6-A8 PolarHBondContact O-N 3.32Å; A8-P10 WeakPolarHBondContact O-CD 3.34Å; A8-N58 HydrophobicContact CB-CB 4.4Å; A8-N58 PolarHBondContact O-ND2 3.44Å |
| 9 | V | 47.8 | Very low | 57.6 | Low | 106 Ų | 106 | 75.7 Ų | 75.7 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | trans | -74.8 | 117.7 | 171.5 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | P | 50.1 | Low | 58.9 | Low | 38 Ų | 38 | 72 Ų | 72 | 25% | 0.247 | 41% | 0.41 | C | S | . | . | trans | -70.5 | 149.9 | -177.2 | 27.7 | -31.8 | 0 | 0 | 0 | 109.9 | A8 I12 T13 N58 | A8-P10 WeakPolarHBondContact O-CD 3.34Å; P10-I12 PolarHBondContact O-N 2.78Å; P10-T13 HydrophobicContact CG-CG2 3.82Å; P10-N58 WeakPolarHBondContact CD-ND2 3.18Å | ||
| 11 | P | 54.5 | Low | 60 | Low | 138 Ų | 138 | 72.4 Ų | 72.4 | 90% | 0.896 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -63.1 | -17.3 | -179.2 | 23.2 | -31.9 | 0 | 0 | 0 | 113.2 | ||
| 12 | I | 57 | Low | 61.9 | Low | 119 Ų | 119 | 74 Ų | 74 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | trans | -131.7 | 101.5 | 178.4 | -54.5 | 172.2 | 0 | 0 | 0 | 108.4 | P10 F14 | P10-I12 PolarHBondContact O-N 2.78Å; I12-F14 HydrophobicContact CG2-CD1 4.26Å; I12-F14 HydrophobicContact CG2-CE1 3.82Å; I12-F14 HydrophobicContact CG2-CZ 4.18Å | ||
| 13 | T | 64.1 | Low | 63.8 | Low | 70 Ų | 70 | 74.5 Ų | 74.5 | 43% | 0.429 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 119.8 | 166 | 38.9 | 0 | 0 | 0 | 0 | 109.4 | P10 | P10-T13 HydrophobicContact CG-CG2 3.82Š|
| 14 | F | 73 | Confident | 65.6 | Low | 68 Ų | 68 | 75.6 Ų | 75.6 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 155.4 | 177.3 | -59 | -64.8 | 0 | 0 | 0 | 112.5 | I12 R18 Y19 K39 | I12-F14 HydrophobicContact CG2-CD1 4.26Å; I12-F14 HydrophobicContact CG2-CE1 3.82Å; I12-F14 HydrophobicContact CG2-CZ 4.18Å; F14-R18 HydrophobicContact CB-CB 4.03Å; F14-R18 HydrophobicContact CB-CG 4.38Å; F14-Y19 HydrophobicContact CB-CE2 3.89Å; F14-Y19 WeakPolarHBondContact O-CE2 3.38Å; F14-K39 PolarHBondContact O-NZ 3.44Å |
| 15 | P | 78.5 | Confident | 67.5 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 150.1 | 166.7 | -23.6 | 33.9 | 0 | 0 | 0 | 111.4 | E17 R18 | P15-E17 PolarHBondContact O-N 3.19Å; P15-R18 PolarHBondContact O-N 2.82Å; P15-R18 VanDerWaalsContact O-N 3.11Å |
| 16 | V | 81 | Confident | 69.5 | Low | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.3 | -35.5 | -177.6 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | R18 Y19 V20 F28 N31 K39 A41 V54 | V16-R18 VanDerWaalsContact C-N 3.25Å; V16-R18 PolarHBondContact O-N 3.01Å; V16-Y19 PolarHBondContact O-N 3.09Å; V16-V20 HydrophobicContact CG2-CG2 4.42Å; V16-V20 PolarHBondContact O-N 2.69Å; V16-V20 VanDerWaalsContact O-N 3.09Å; V16-F28 HydrophobicContact CG1-CD2 4.44Å; V16-F28 HydrophobicContact CG1-CE2 3.59Å; V16-F28 HydrophobicContact CG1-CZ 4.14Å; V16-N31 HydrophobicContact CG1-CB 4.33Å; V16-K39 HydrophobicContact CB-CB 3.88Å; V16-K39 HydrophobicContact CB-CD 4.18Å; V16-K39 HydrophobicContact CG2-CB 3.63Å; V16-A41 HydrophobicContact CG1-CB 4.07Å; V16-A41 HydrophobicContact CG2-CB 3.82Å; V16-V54 HydrophobicContact CG2-CB 4.48Å; V16-V54 HydrophobicContact CG2-CG2 3.77Å |
| 17 | E | 83.4 | Confident | 71.6 | Confident | 112 Ų | 112 | 73.7 Ų | 73.7 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -50.7 | -41.8 | 175.9 | -177.3 | -180 | -177.3 | 0 | 0 | 112.9 | P15 Y19 V20 S21 F28 | P15-E17 PolarHBondContact O-N 3.19Å; E17-Y19 VanDerWaalsContact C-N 3.28Å; E17-Y19 PolarHBondContact O-N 2.86Å; E17-V20 PolarHBondContact O-N 3.2Å; E17-V20 VanDerWaalsContact O-N 3.16Å; E17-S21 PolarHBondContact O-N 3.16Å; E17-F28 HydrophobicContact CB-CD1 3.96Å; E17-F28 HydrophobicContact CB-CD2 4.3Å; E17-F28 HydrophobicContact CB-CE1 4.09Å; E17-F28 HydrophobicContact CB-CE2 4.43Å; E17-F28 HydrophobicContact CB-CG 4.06Å; E17-F28 HydrophobicContact CB-CZ 4.31Å; E17-F28 HydrophobicContact CG-CB 4.22Å; E17-F28 HydrophobicContact CG-CD1 3.71Å; E17-F28 HydrophobicContact CG-CE1 4.22Å; E17-F28 HydrophobicContact CG-CG 3.94Å |
| 18 | R | 83.6 | Confident | 73.6 | Confident | 141 Ų | 141 | 72 Ų | 72 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.4 | -26.2 | -179.4 | -168.6 | 176.2 | 179.7 | 163.2 | -0.2 | 113.3 | F14 P15 V16 S21 | F14-R18 HydrophobicContact CB-CB 4.03Å; F14-R18 HydrophobicContact CB-CG 4.38Å; P15-R18 PolarHBondContact O-N 2.82Å; P15-R18 VanDerWaalsContact O-N 3.11Å; V16-R18 VanDerWaalsContact C-N 3.25Å; V16-R18 PolarHBondContact O-N 3.01Å; R18-S21 PolarHBondContact O-OG 3.11Å |
| 19 | Y | 83.3 | Confident | 75.7 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 4% | 0.039 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -82.1 | -33.9 | 173.6 | -61 | -79 | 0 | 0 | 0 | 111.1 | F14 V16 E17 D22 V54 V56 A96 F98 | F14-Y19 HydrophobicContact CB-CE2 3.89Å; F14-Y19 WeakPolarHBondContact O-CE2 3.38Å; V16-Y19 PolarHBondContact O-N 3.09Å; E17-Y19 VanDerWaalsContact C-N 3.28Å; E17-Y19 PolarHBondContact O-N 2.86Å; Y19-D22 PolarHBondContact O-N 2.89Å; Y19-V54 HydrophobicContact CD1-CG1 4.41Å; Y19-V54 HydrophobicContact CD2-CG1 4.26Å; Y19-V54 HydrophobicContact CG-CG1 3.93Å; Y19-V56 HydrophobicContact CE1-CG1 4.34Å; Y19-V56 HydrophobicContact CE1-CG2 4.19Å; Y19-V56 HydrophobicContact CE2-CG2 4.1Å; Y19-A96 HydrophobicContact CD1-CB 3.98Å; Y19-A96 HydrophobicContact CE1-CB 4.46Å; Y19-F98 WeakPolarHBondContact O-CE1 3.41Å; Y19-F98 WeakPolarHBondContact O-CZ 3.41Å |
| 20 | V | 83.6 | Confident | 77.7 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | V16 E17 D22 L23 M26 F28 A41 V43 | V16-V20 HydrophobicContact CG2-CG2 4.42Å; V16-V20 PolarHBondContact O-N 2.69Å; V16-V20 VanDerWaalsContact O-N 3.09Å; E17-V20 PolarHBondContact O-N 3.2Å; E17-V20 VanDerWaalsContact O-N 3.16Å; V20-D22 PolarHBondContact O-N 3.14Å; V20-D22 VanDerWaalsContact O-N 3.11Å; V20-L23 VanDerWaalsContact O-CB 3.31Å; V20-L23 WeakPolarHBondContact O-CB 3.14Å; V20-L23 PolarHBondContact O-N 3.48Å; V20-M26 HydrophobicContact CG1-CB 4.36Å; V20-F28 HydrophobicContact CB-CB 4.48Å; V20-F28 HydrophobicContact CG1-CB 4.11Å; V20-F28 HydrophobicContact CG2-CD2 4.49Å; V20-A41 HydrophobicContact CG2-CB 4.09Å; V20-V43 HydrophobicContact CG1-CG1 3.63Å; V20-V43 HydrophobicContact CG2-CG1 4.13Å |
| 21 | S | 82.3 | Confident | 79.3 | Confident | 81 Ų | 81 | 73 Ų | 73 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | E17 R18 L23 | E17-S21 PolarHBondContact O-N 3.16Å; R18-S21 PolarHBondContact O-OG 3.11Å; S21-L23 PolarHBondContact O-N 3.3Å |
| 22 | D | 78 | Confident | 80.5 | Confident | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -8.8 | 174 | -68.7 | -12.6 | 0 | 0 | 0 | 112 | Y19 V20 | Y19-D22 PolarHBondContact O-N 2.89Å; V20-D22 PolarHBondContact O-N 3.14Å; V20-D22 VanDerWaalsContact O-N 3.11Å |
| 23 | L | 80.8 | Confident | 81.1 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -98.9 | 104.5 | 177.9 | -58.7 | 171.7 | 0 | 0 | 0 | 110.3 | V20 S21 D25 M26 V52 M91 F98 | V20-L23 VanDerWaalsContact O-CB 3.31Å; V20-L23 WeakPolarHBondContact O-CB 3.14Å; V20-L23 PolarHBondContact O-N 3.48Å; S21-L23 PolarHBondContact O-N 3.3Å; L23-D25 PolarHBondContact O-N 2.87Å; L23-M26 HydrophobicContact CB-CB 4.07Å; L23-M26 HydrophobicContact CB-CG 4.14Å; L23-M26 HydrophobicContact CD1-CG 4.39Å; L23-M26 PolarHBondContact O-N 3.48Å; L23-V52 HydrophobicContact CD1-CG1 4.48Å; L23-M91 HydrophobicContact CD2-CE 3.77Å; L23-M91 HydrophobicContact CD2-SD 4.07Å; L23-F98 HydrophobicContact CD1-CD1 3.89Å; L23-F98 HydrophobicContact CD1-CE1 4.09Å; L23-F98 HydrophobicContact CD1-CG 4.23Å; L23-F98 HydrophobicContact CD2-CD2 4.18Å; L23-F98 HydrophobicContact CD2-CE2 4.19Å; L23-F98 HydrophobicContact CD2-CG 4.44Å; L23-F98 HydrophobicContact CD2-CZ 4.46Å; L23-F98 HydrophobicContact CG-CE1 4.41Å; L23-F98 HydrophobicContact CG-CZ 4.46Å |
| 24 | A | 76.9 | Confident | 81 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 85% | 0.851 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 25 | D | 81.5 | Confident | 80.6 | Confident | 78 Ų | 78 | 65.4 Ų | 65.4 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 11.6 | -174.8 | -65.6 | -48.7 | 0 | 0 | 0 | 114 | L23 H45 R46 | L23-D25 PolarHBondContact O-N 2.87Å; D25-H45 PolarHBondContact O-CD2 3.27Å; D25-R46 IonicContact OD1-CZ 2.7Å; D25-R46 VanDerWaalsContact OD1-CZ 3.29Å; D25-R46 IonicContact OD1-NE 3.13Å; D25-R46 PolarHBondContact OD1-NE 2.9Å; D25-R46 IonicContact OD1-NH2 3.1Å; D25-R46 PolarHBondContact OD1-NH2 3.34Å |
| 26 | M | 84.8 | Confident | 79.9 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.5 | -173.1 | -62.8 | -71.8 | -179.6 | 0 | 0 | 111.3 | V20 L23 V43 H45 I100 | V20-M26 HydrophobicContact CG1-CB 4.36Å; L23-M26 HydrophobicContact CB-CB 4.07Å; L23-M26 HydrophobicContact CB-CG 4.14Å; L23-M26 HydrophobicContact CD1-CG 4.39Å; L23-M26 PolarHBondContact O-N 3.48Å; M26-V43 HydrophobicContact CB-CB 4.41Å; M26-V43 HydrophobicContact CB-CG2 4.36Å; M26-V43 HydrophobicContact CG-CG2 4.43Å; M26-V43 HydrophobicContact SD-CG2 3.65Å; M26-H45 HydrophobicContact CE-CB 3.83Å; M26-H45 WeakPolarHBondContact CE-CD2 3.14Å; M26-H45 HydrophobicContact SD-CB 3.52Å; M26-H45 VanDerWaalsContact SD-CB 3.52Å; M26-I100 HydrophobicContact CE-CD1 4.32Å; M26-I100 HydrophobicContact CE-CG2 4.35Å |
| 27 | E | 88.2 | Confident | 79.1 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.8 | 174.5 | -173.9 | -175.5 | 173.8 | 0 | 0 | 110.2 | Q29 V43 L44 | E27-Q29 PolarHBondContact O-N 2.87Å; E27-V43 CarbonylContact O-C 3.59Å; E27-V43 WeakPolarHBondContact O-CA 3.36Å; E27-V43 WeakPolarHBondContact O-CB 3.32Å; E27-L44 HydrophobicContact CB-CB 4.3Å; E27-L44 PolarHBondContact N-O 2.98Å; E27-L44 PolarHBondContact O-N 2.89Å |
| 28 | F | 89.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 65 Ų | 65 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.3 | 176.6 | 174.9 | -101.5 | 0 | 0 | 0 | 110.9 | V16 E17 V20 C30 N31 A41 | V16-F28 HydrophobicContact CG1-CD2 4.44Å; V16-F28 HydrophobicContact CG1-CE2 3.59Å; V16-F28 HydrophobicContact CG1-CZ 4.14Å; E17-F28 HydrophobicContact CB-CD1 3.96Å; E17-F28 HydrophobicContact CB-CD2 4.3Å; E17-F28 HydrophobicContact CB-CE1 4.09Å; E17-F28 HydrophobicContact CB-CE2 4.43Å; E17-F28 HydrophobicContact CB-CG 4.06Å; E17-F28 HydrophobicContact CB-CZ 4.31Å; E17-F28 HydrophobicContact CG-CB 4.22Å; E17-F28 HydrophobicContact CG-CD1 3.71Å; E17-F28 HydrophobicContact CG-CE1 4.22Å; E17-F28 HydrophobicContact CG-CG 3.94Å; V20-F28 HydrophobicContact CB-CB 4.48Å; V20-F28 HydrophobicContact CG1-CB 4.11Å; V20-F28 HydrophobicContact CG2-CD2 4.49Å; F28-C30 VanDerWaalsContact CE2-C 3.5Å; F28-C30 WeakPolarHBondContact CE2-O 3.43Å; F28-C30 VanDerWaalsContact CZ-C 3.42Å; F28-N31 HydrophobicContact CZ-CB 4.41Å; F28-A41 HydrophobicContact CD2-CB 3.9Å; F28-A41 HydrophobicContact CE2-CB 3.77Å |
| 29 | Q | 88.9 | Confident | 78.8 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -57.8 | 174.1 | -69 | -167.4 | -21.5 | 0 | 0 | 112.3 | E27 R42 L44 | E27-Q29 PolarHBondContact O-N 2.87Å; Q29-R42 PolarHBondContact N-O 3.01Å; Q29-L44 HydrophobicContact CG-CB 4.25Å |
| 30 | C | 88.1 | Confident | 79 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 158.5 | -178.6 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | F28 A41 R42 | F28-C30 VanDerWaalsContact CE2-C 3.5Å; F28-C30 WeakPolarHBondContact CE2-O 3.43Å; F28-C30 VanDerWaalsContact CZ-C 3.42Å; C30-A41 WeakPolarHBondContact O-CA 3.36Å; C30-R42 PolarHBondContact N-O 3.03Å; C30-R42 PolarHBondContact O-N 3.25Å |
| 31 | N | 85.4 | Confident | 79.3 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121 | 171.4 | -175 | 3.2 | 0 | 0 | 0 | 108.9 | V16 F28 G33 V40 | V16-N31 HydrophobicContact CG1-CB 4.33Å; F28-N31 HydrophobicContact CZ-CB 4.41Å; N31-G33 VanDerWaalsContact C-N 3.29Å; N31-G33 WeakPolarHBondContact OD1-CA 3.43Å; N31-G33 PolarHBondContact OD1-N 3.11Å; N31-G33 PolarHBondContact OD1-O 2.84Å; N31-G33 VanDerWaalsContact OD1-O 3.09Å; N31-V40 PolarHBondContact OD1-O 2.87Å; N31-V40 VanDerWaalsContact OD1-O 3.04Å |
| 32 | L | 79.5 | Confident | 79.7 | Confident | 76 Ų | 76 | 59.6 Ų | 59.6 | 40% | 0.398 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -1.3 | 176.5 | -66.9 | 178.1 | 0 | 0 | 0 | 112.4 | V40 R42 V51 Y103 | L32-V40 HydrophobicContact CB-CB 4.33Å; L32-V40 HydrophobicContact CB-CG1 4.02Å; L32-V40 HydrophobicContact CD1-CG1 4.3Å; L32-V40 PolarHBondContact N-O 3.04Å; L32-R42 HydrophobicContact CD1-CB 3.86Å; L32-R42 HydrophobicContact CD2-CB 4.15Å; L32-R42 HydrophobicContact CG-CB 3.91Å; L32-V51 HydrophobicContact CD1-CG1 4.41Å; L32-V51 HydrophobicContact CD1-CG2 3.91Å; L32-Y103 HydrophobicContact CD1-CD2 4.24Å; L32-Y103 HydrophobicContact CD1-CE2 4.21Å; L32-Y103 HydrophobicContact CD2-CE2 4.44Å |
| 33 | G | 70.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 32% | 0.32 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.7 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N31 V40 | N31-G33 VanDerWaalsContact C-N 3.29Å; N31-G33 WeakPolarHBondContact OD1-CA 3.43Å; N31-G33 PolarHBondContact OD1-N 3.11Å; N31-G33 PolarHBondContact OD1-O 2.84Å; N31-G33 VanDerWaalsContact OD1-O 3.09Å; G33-V40 PolarHBondContact O-N 2.84Å |
| 34 | S | 61.7 | Low | 80.8 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.9 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 35 | T | 63.9 | Low | 81.4 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | trans | -77.5 | 168.6 | 163.3 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | F37 M38 | T35-F37 PolarHBondContact O-N 3.47Å; T35-F37 PolarHBondContact OG1-N 3.47Å; T35-M38 PolarHBondContact N-O 3.23Å; T35-M38 PolarHBondContact OG1-N 3.06Å; T35-M38 PolarHBondContact OG1-O 3.43Å | ||
| 36 | R | 64.5 | Low | 81.4 | Confident | 145 Ų | 145 | 60.5 Ų | 60.5 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -59.4 | -24.2 | 170.9 | -67.2 | -173 | -159.5 | -133.5 | 6.7 | 112.6 | Y183 | R36-Y183 HydrophobicContact CB-CE2 4.11Å; R36-Y183 VanDerWaalsContact CD-CD2 3.47Å |
| 37 | F | 63.1 | Low | 81 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 13% | 0.132 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -93.6 | -41.1 | -175 | -58.1 | -82.7 | 0 | 0 | 0 | 114.1 | T35 F55 Y183 F184 | T35-F37 PolarHBondContact O-N 3.47Å; T35-F37 PolarHBondContact OG1-N 3.47Å; F37-F55 WeakPolarHBondContact O-CD2 3.46Å; F37-Y183 HydrophobicContact CD1-CE1 4.14Å; F37-Y183 AromaticContact CE1-CD1 3.68Å; F37-Y183 HydrophobicContact CE1-CD1 3.68Å; F37-Y183 AromaticContact CE1-CE1 3.19Å; F37-Y183 HydrophobicContact CE1-CE1 3.19Å; F37-Y183 AromaticContact CE1-CZ 3.98Å; F37-Y183 HydrophobicContact CE2-CD1 4.47Å; F37-Y183 WeakPolarHBondContact CE2-O 3.36Å; F37-Y183 AromaticContact CZ-CD1 3.38Å; F37-Y183 HydrophobicContact CZ-CD1 3.38Å; F37-Y183 AromaticContact CZ-CE1 3.4Å; F37-Y183 HydrophobicContact CZ-CE1 3.4Å; F37-Y183 HydrophobicContact CZ-CG 4.2Å; F37-Y183 VanDerWaalsContact CZ-O 3.24Å; F37-Y183 WeakPolarHBondContact CZ-O 3.42Å; F37-F184 HydrophobicContact CD1-CE1 4.38Å; F37-F184 AromaticContact CE1-CD1 3.43Å; F37-F184 HydrophobicContact CE1-CD1 3.43Å; F37-F184 VanDerWaalsContact CE1-CD1 3.43Å; F37-F184 AromaticContact CE1-CE1 3.26Å; F37-F184 HydrophobicContact CE1-CE1 3.26Å; F37-F184 HydrophobicContact CE1-CG 4.32Å; F37-F184 HydrophobicContact CE1-CZ 4.05Å; F37-F184 HydrophobicContact CE2-CD1 4.05Å; F37-F184 HydrophobicContact CZ-CB 4.17Å; F37-F184 AromaticContact CZ-CD1 3.11Å; F37-F184 HydrophobicContact CZ-CD1 3.11Å; F37-F184 HydrophobicContact CZ-CD2 4.46Å; F37-F184 AromaticContact CZ-CE1 3.49Å; F37-F184 HydrophobicContact CZ-CE1 3.49Å; F37-F184 VanDerWaalsContact CZ-CE1 3.49Å; F37-F184 AromaticContact CZ-CG 3.67Å; F37-F184 HydrophobicContact CZ-CG 3.67Å; F37-F184 HydrophobicContact CZ-CZ 4.31Å |
| 38 | M | 77.8 | Confident | 80.8 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | trans | -145.1 | 139.5 | -164 | -64.9 | 178.2 | -173.9 | 0 | 0 | 110.3 | T35 K53 V54 F55 L99 F168 | T35-M38 PolarHBondContact N-O 3.23Å; T35-M38 PolarHBondContact OG1-N 3.06Å; T35-M38 PolarHBondContact OG1-O 3.43Å; M38-K53 HydrophobicContact CB-CB 4.38Å; M38-K53 HydrophobicContact SD-CB 3.87Å; M38-K53 HydrophobicContact SD-CD 4.18Å; M38-V54 WeakPolarHBondContact CA-O 3.34Å; M38-F55 HydrophobicContact CE-CB 4.29Å; M38-F55 HydrophobicContact CE-CD2 4.3Å; M38-F55 HydrophobicContact CG-CB 4.19Å; M38-F55 HydrophobicContact CG-CD2 4.27Å; M38-L99 HydrophobicContact CE-CD1 3.96Å; M38-L99 HydrophobicContact SD-CD1 4.13Å; M38-F168 HydrophobicContact CE-CE1 4.5Å; M38-F168 HydrophobicContact CE-CZ 4.3Å | ||
| 39 | K | 83 | Confident | 80.8 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.9 | 168 | -57.3 | -167.3 | 176.6 | -160.8 | 0 | 108.7 | F14 V16 K53 V54 | F14-K39 PolarHBondContact O-NZ 3.44Å; V16-K39 HydrophobicContact CB-CB 3.88Å; V16-K39 HydrophobicContact CB-CD 4.18Å; V16-K39 HydrophobicContact CG2-CB 3.63Å; K39-K53 CarbonylContact O-C 3.47Å; K39-K53 WeakPolarHBondContact O-CA 3.27Å; K39-V54 HydrophobicContact CB-CB 4.41Å; K39-V54 PolarHBondContact N-O 3.41Å; K39-V54 PolarHBondContact O-N 3.15Å |
| 40 | V | 87.6 | Confident | 81 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 124.7 | -175.8 | -169.3 | 0 | 0 | 0 | 0 | 109 | N31 L32 G33 V51 V52 K53 | N31-V40 PolarHBondContact OD1-O 2.87Å; N31-V40 VanDerWaalsContact OD1-O 3.04Å; L32-V40 HydrophobicContact CB-CB 4.33Å; L32-V40 HydrophobicContact CB-CG1 4.02Å; L32-V40 HydrophobicContact CD1-CG1 4.3Å; L32-V40 PolarHBondContact N-O 3.04Å; G33-V40 PolarHBondContact O-N 2.84Å; V40-V51 HydrophobicContact CG1-CG1 3.48Å; V40-V51 VanDerWaalsContact CG1-CG1 3.48Å; V40-V52 WeakPolarHBondContact CA-O 3.25Å; V40-K53 HydrophobicContact CG1-CG 4.22Å; V40-K53 HydrophobicContact CG2-CD 4.37Å; V40-K53 HydrophobicContact CG2-CG 4.07Å |
| 41 | A | 89.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V16 V20 F28 C30 V43 V51 V52 | V16-A41 HydrophobicContact CG1-CB 4.07Å; V16-A41 HydrophobicContact CG2-CB 3.82Å; V20-A41 HydrophobicContact CG2-CB 4.09Å; F28-A41 HydrophobicContact CD2-CB 3.9Å; F28-A41 HydrophobicContact CE2-CB 3.77Å; C30-A41 WeakPolarHBondContact O-CA 3.36Å; A41-V43 HydrophobicContact CB-CG1 4.17Å; A41-V51 WeakPolarHBondContact O-CA 3.49Å; A41-V52 PolarHBondContact N-O 3.36Å; A41-V52 PolarHBondContact O-N 2.9Å |
| 42 | R | 91.8 | Very high | 81.3 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.7 | 158.4 | -165.8 | 168.7 | 68.7 | -159.4 | -3 | 107.9 | Q29 C30 L32 C50 Y103 | Q29-R42 PolarHBondContact N-O 3.01Å; C30-R42 PolarHBondContact N-O 3.03Å; C30-R42 PolarHBondContact O-N 3.25Å; L32-R42 HydrophobicContact CD1-CB 3.86Å; L32-R42 HydrophobicContact CD2-CB 4.15Å; L32-R42 HydrophobicContact CG-CB 3.91Å; R42-C50 WeakPolarHBondContact CA-O 3.17Å; R42-Y103 HydrophobicContact CG-CD2 4.01Å; R42-Y103 HydrophobicContact CG-CE2 4.39Å; R42-Y103 HydrophobicContact CG-CG 4.27Å; R42-Y103 PolarHBondContact NH1-OH 2.72Å |
| 43 | V | 91.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.3 | 178.9 | -52.9 | 0 | 0 | 0 | 0 | 109.8 | V20 M26 E27 A41 Q49 C50 V52 | V20-V43 HydrophobicContact CG1-CG1 3.63Å; V20-V43 HydrophobicContact CG2-CG1 4.13Å; M26-V43 HydrophobicContact CB-CB 4.41Å; M26-V43 HydrophobicContact CB-CG2 4.36Å; M26-V43 HydrophobicContact CG-CG2 4.43Å; M26-V43 HydrophobicContact SD-CG2 3.65Å; E27-V43 CarbonylContact O-C 3.59Å; E27-V43 WeakPolarHBondContact O-CA 3.36Å; E27-V43 WeakPolarHBondContact O-CB 3.32Å; A41-V43 HydrophobicContact CB-CG1 4.17Å; V43-Q49 WeakPolarHBondContact O-CA 3.48Å; V43-C50 HydrophobicContact CG2-CB 3.88Å; V43-C50 PolarHBondContact N-O 3.39Å; V43-C50 PolarHBondContact O-N 2.84Å; V43-V52 HydrophobicContact CB-CG2 4.3Å; V43-V52 HydrophobicContact CG1-CB 4.27Å; V43-V52 HydrophobicContact CG1-CG2 3.82Å; V43-V52 HydrophobicContact CG2-CG2 3.45Å; V43-V52 VanDerWaalsContact CG2-CG2 3.45Å |
| 44 | L | 90.6 | Very high | 82.6 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 34% | 0.335 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115.3 | 170.5 | -175.1 | 64.9 | 0 | 0 | 0 | 108.6 | E27 Q29 Q49 | E27-L44 HydrophobicContact CB-CB 4.3Å; E27-L44 PolarHBondContact N-O 2.98Å; E27-L44 PolarHBondContact O-N 2.89Å; Q29-L44 HydrophobicContact CG-CB 4.25Å; L44-Q49 HydrophobicContact CD1-CG 4.02Å |
| 45 | H | 88.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 164.3 | 167.4 | -174.1 | -121.2 | 0 | 0 | 0 | 109.5 | D25 M26 E47 G48 | D25-H45 PolarHBondContact O-CD2 3.27Å; M26-H45 HydrophobicContact CE-CB 3.83Å; M26-H45 WeakPolarHBondContact CE-CD2 3.14Å; M26-H45 HydrophobicContact SD-CB 3.52Å; M26-H45 VanDerWaalsContact SD-CB 3.52Å; H45-E47 IonicContact CE1-OE2 2.75Å; H45-E47 WeakPolarHBondContact ND1-CB 3.37Å; H45-E47 PolarHBondContact ND1-N 3.46Å; H45-E47 IonicContact ND1-OE2 2.71Å; H45-E47 PolarHBondContact O-N 3.37Å; H45-E47 VanDerWaalsContact O-N 3.14Å; H45-G48 WeakPolarHBondContact CA-O 3.5Å; H45-G48 WeakPolarHBondContact CB-O 3.46Å; H45-G48 PolarHBondContact N-O 3Å; H45-G48 PolarHBondContact O-N 2.85Å |
| 46 | R | 81.6 | Confident | 84.6 | Confident | 205 Ų | 205 | 47.8 Ų | 47.8 | 77% | 0.774 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.3 | 172.8 | -59.7 | -175.4 | -171.9 | -164.7 | 3.6 | 113.1 | D25 | D25-R46 IonicContact OD1-CZ 2.7Å; D25-R46 VanDerWaalsContact OD1-CZ 3.29Å; D25-R46 IonicContact OD1-NE 3.13Å; D25-R46 PolarHBondContact OD1-NE 2.9Å; D25-R46 IonicContact OD1-NH2 3.1Å; D25-R46 PolarHBondContact OD1-NH2 3.34Å |
| 47 | E | 78 | Confident | 85.3 | Confident | 178 Ų | 178 | 42.2 Ų | 42.2 | 83% | 0.832 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.4 | -179.1 | -62.1 | 170.9 | 169.4 | 0 | 0 | 113.7 | H45 | H45-E47 IonicContact CE1-OE2 2.75Å; H45-E47 WeakPolarHBondContact ND1-CB 3.37Å; H45-E47 PolarHBondContact ND1-N 3.46Å; H45-E47 IonicContact ND1-OE2 2.71Å; H45-E47 PolarHBondContact O-N 3.37Å; H45-E47 VanDerWaalsContact O-N 3.14Å |
| 48 | G | 83.5 | Confident | 85.7 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.3 | -169.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | H45 | H45-G48 WeakPolarHBondContact CA-O 3.5Å; H45-G48 WeakPolarHBondContact CB-O 3.46Å; H45-G48 PolarHBondContact N-O 3Å; H45-G48 PolarHBondContact O-N 2.85Å |
| 49 | Q | 89.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.8 | -178.3 | -66.5 | -178.5 | -0.1 | 0 | 0 | 111.6 | V43 L44 Y103 | V43-Q49 WeakPolarHBondContact O-CA 3.48Å; L44-Q49 HydrophobicContact CD1-CG 4.02Å; Q49-Y103 HydrophobicContact CB-CD1 4.35Å; Q49-Y103 HydrophobicContact CB-CG 4.43Å; Q49-Y103 WeakPolarHBondContact O-CB 3.38Å; Q49-Y103 PolarHBondContact O-N 2.89Å |
| 50 | C | 91.6 | Very high | 84.8 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 158.1 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | R42 V43 I100 R101 | R42-C50 WeakPolarHBondContact CA-O 3.17Å; V43-C50 HydrophobicContact CG2-CB 3.88Å; V43-C50 PolarHBondContact N-O 3.39Å; V43-C50 PolarHBondContact O-N 2.84Å; C50-I100 HydrophobicContact CB-CG2 4.12Å; C50-R101 CarbonylContact C-O 3.59Å; C50-R101 VanDerWaalsContact CA-O 3.32Å; C50-R101 WeakPolarHBondContact CA-O 3.42Å; C50-R101 WeakPolarHBondContact CB-O 3.45Å |
| 51 | V | 90.9 | Very high | 84.1 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.4 | 167.1 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | L32 V40 A41 K53 I100 R101 Y103 | L32-V51 HydrophobicContact CD1-CG1 4.41Å; L32-V51 HydrophobicContact CD1-CG2 3.91Å; V40-V51 HydrophobicContact CG1-CG1 3.48Å; V40-V51 VanDerWaalsContact CG1-CG1 3.48Å; A41-V51 WeakPolarHBondContact O-CA 3.49Å; V51-K53 HydrophobicContact CG1-CG 4.45Å; V51-I100 WeakPolarHBondContact O-CA 3.38Å; V51-R101 HydrophobicContact CB-CG 4.2Å; V51-R101 PolarHBondContact N-O 3.41Å; V51-R101 PolarHBondContact O-N 2.85Å; V51-R101 VanDerWaalsContact O-N 3.14Å; V51-Y103 HydrophobicContact CG2-CD2 3.73Å; V51-Y103 HydrophobicContact CG2-CG 4.38Å |
| 52 | V | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.9 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | L23 V40 A41 V43 V54 F98 L99 I100 | L23-V52 HydrophobicContact CD1-CG1 4.48Å; V40-V52 WeakPolarHBondContact CA-O 3.25Å; A41-V52 PolarHBondContact N-O 3.36Å; A41-V52 PolarHBondContact O-N 2.9Å; V43-V52 HydrophobicContact CB-CG2 4.3Å; V43-V52 HydrophobicContact CG1-CB 4.27Å; V43-V52 HydrophobicContact CG1-CG2 3.82Å; V43-V52 HydrophobicContact CG2-CG2 3.45Å; V43-V52 VanDerWaalsContact CG2-CG2 3.45Å; V52-V54 HydrophobicContact CG1-CG2 4.01Å; V52-F98 HydrophobicContact CG1-CB 4.18Å; V52-F98 HydrophobicContact CG1-CD1 3.8Å; V52-F98 HydrophobicContact CG1-CG 4.48Å; V52-L99 WeakPolarHBondContact CA-O 3.12Å; V52-I100 HydrophobicContact CG2-CG1 4.31Å |
| 53 | K | 89.3 | Confident | 82.4 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.7 | 167.9 | -60.4 | -164 | 176.1 | 173.6 | 0 | 109.4 | M38 K39 V40 V51 F87 F98 L99 D164 | M38-K53 HydrophobicContact CB-CB 4.38Å; M38-K53 HydrophobicContact SD-CB 3.87Å; M38-K53 HydrophobicContact SD-CD 4.18Å; K39-K53 CarbonylContact O-C 3.47Å; K39-K53 WeakPolarHBondContact O-CA 3.27Å; V40-K53 HydrophobicContact CG1-CG 4.22Å; V40-K53 HydrophobicContact CG2-CD 4.37Å; V40-K53 HydrophobicContact CG2-CG 4.07Å; V51-K53 HydrophobicContact CG1-CG 4.45Å; K53-F87 HydrophobicContact CD-CE1 4.21Å; K53-F87 HydrophobicContact CD-CZ 3.88Å; K53-F87 HydrophobicContact CG-CE1 4.34Å; K53-F87 HydrophobicContact CG-CZ 4.5Å; K53-F98 CarbonylContact O-C 3.59Å; K53-F98 WeakPolarHBondContact O-CA 3.44Å; K53-L99 HydrophobicContact CB-CB 4.24Å; K53-L99 PolarHBondContact N-O 2.92Å; K53-L99 PolarHBondContact O-N 3.39Å; K53-D164 WeakPolarHBondContact CE-OD1 3.22Å; K53-D164 IonicContact NZ-OD1 3.7Å; K53-D164 PolarHBondContact NZ-OD1 3.22Å; K53-D164 IonicContact NZ-OD2 2.66Å; K53-D164 PolarHBondContact NZ-OD2 3.41Å |
| 54 | V | 88 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116 | -177.9 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | V16 Y19 M38 K39 V52 A96 F98 | V16-V54 HydrophobicContact CG2-CB 4.48Å; V16-V54 HydrophobicContact CG2-CG2 3.77Å; Y19-V54 HydrophobicContact CD1-CG1 4.41Å; Y19-V54 HydrophobicContact CD2-CG1 4.26Å; Y19-V54 HydrophobicContact CG-CG1 3.93Å; M38-V54 WeakPolarHBondContact CA-O 3.34Å; K39-V54 HydrophobicContact CB-CB 4.41Å; K39-V54 PolarHBondContact N-O 3.41Å; K39-V54 PolarHBondContact O-N 3.15Å; V52-V54 HydrophobicContact CG1-CG2 4.01Å; V54-A96 HydrophobicContact CG1-CB 3.8Å; V54-F98 HydrophobicContact CB-CD1 4.47Å; V54-F98 HydrophobicContact CG1-CD1 4.27Å; V54-F98 HydrophobicContact CG1-CE1 3.99Å; V54-F98 HydrophobicContact CG2-CD1 3.87Å; V54-F98 HydrophobicContact CG2-CE1 3.99Å |
| 55 | F | 85 | Confident | 81.2 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.1 | 167.8 | -178.3 | -97.2 | 0 | 0 | 0 | 109.2 | L5 F37 M38 V57 L62 L64 A96 S97 | L5-F55 HydrophobicContact CD1-CE2 4.33Å; L5-F55 HydrophobicContact CD1-CZ 4.44Å; L5-F55 HydrophobicContact CD2-CZ 4.12Å; F37-F55 WeakPolarHBondContact O-CD2 3.46Å; M38-F55 HydrophobicContact CE-CB 4.29Å; M38-F55 HydrophobicContact CE-CD2 4.3Å; M38-F55 HydrophobicContact CG-CB 4.19Å; M38-F55 HydrophobicContact CG-CD2 4.27Å; F55-V57 HydrophobicContact CD1-CG2 4.19Å; F55-V57 HydrophobicContact CE1-CG2 4.45Å; F55-L62 HydrophobicContact CE1-CD1 4.26Å; F55-L62 HydrophobicContact CZ-CD1 4.23Å; F55-L64 HydrophobicContact CD1-CD2 4.2Å; F55-L64 HydrophobicContact CE1-CD2 3.9Å; F55-A96 CarbonylContact O-C 3.58Å; F55-A96 WeakPolarHBondContact O-CA 3.03Å; F55-A96 WeakPolarHBondContact O-CB 3.15Å; F55-S97 PolarHBondContact N-O 3.43Å; F55-S97 PolarHBondContact O-N 2.49Å |
| 56 | V | 82.4 | Confident | 80.7 | Confident | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.6 | -179.7 | -173.4 | 0 | 0 | 0 | 0 | 109 | Y19 N58 | Y19-V56 HydrophobicContact CE1-CG1 4.34Å; Y19-V56 HydrophobicContact CE1-CG2 4.19Å; Y19-V56 HydrophobicContact CE2-CG2 4.1Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.43Å; V56-N58 PolarHBondContact O-N 3.25Å |
| 57 | V | 77.6 | Confident | 80.6 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 17% | 0.17 | 28% | 0.279 | C | S | . | . | trans | -87.8 | 99.6 | -176.7 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | F55 L64 K95 | F55-V57 HydrophobicContact CD1-CG2 4.19Å; F55-V57 HydrophobicContact CE1-CG2 4.45Å; V57-L64 HydrophobicContact CB-CD1 4.34Å; V57-L64 HydrophobicContact CG1-CD1 3.83Å; V57-L64 HydrophobicContact CG2-CD1 3.5Å; V57-K95 PolarHBondContact N-O 3.4Å | ||
| 58 | N | 72.2 | Confident | 80.8 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | trans | -94.4 | -29.3 | 179 | -57.4 | -32.3 | 0 | 0 | 0 | 112.4 | A8 P10 V56 | A8-N58 HydrophobicContact CB-CB 4.4Å; A8-N58 PolarHBondContact O-ND2 3.44Å; P10-N58 WeakPolarHBondContact CD-ND2 3.18Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.43Å; V56-N58 PolarHBondContact O-N 3.25Å | ||
| 59 | D | 72.9 | Confident | 80.9 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | trans | -119.3 | 107.3 | 179.8 | -176.7 | -4 | 0 | 0 | 0 | 109.6 | S61 L62 | D59-S61 PolarHBondContact O-N 2.86Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.4Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.44Å; D59-S61 PolarHBondContact OD2-OG 3.22Å; D59-L62 HydrophobicContact CB-CD1 4.04Å; D59-L62 HydrophobicContact CB-CG 4.16Å; D59-L62 WeakPolarHBondContact O-CB 3.26Å; D59-L62 WeakPolarHBondContact O-CD1 3.35Å; D59-L62 WeakPolarHBondContact O-CG 3.36Å; D59-L62 PolarHBondContact O-N 2.67Å | ||
| 60 | P | 70 | Confident | 80.7 | Confident | 121 Ų | 121 | 44.7 Ų | 44.7 | 79% | 0.786 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.1 | 178.6 | 25.9 | -31.4 | 0 | 0 | 0 | 113.3 | L62 | P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 3.42Å |
| 61 | S | 72.1 | Confident | 80.5 | Confident | 92 Ų | 92 | 44.4 Ų | 44.4 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.2 | 174.4 | 77.8 | 0 | 0 | 0 | 0 | 113.6 | D59 | D59-S61 PolarHBondContact O-N 2.86Å; D59-S61 VanDerWaalsContact OD1-CB 3.24Å; D59-S61 WeakPolarHBondContact OD1-CB 3.4Å; D59-S61 PolarHBondContact OD1-N 2.95Å; D59-S61 PolarHBondContact OD1-OG 3.44Å; D59-S61 PolarHBondContact OD2-OG 3.22Å |
| 62 | L | 72.1 | Confident | 80.4 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -61 | 131.2 | 175 | -77.2 | 162.6 | 0 | 0 | 0 | 110.7 | M1 L5 F55 D59 P60 L64 | M1-L62 HydrophobicContact CG-CD2 4.07Å; L5-L62 HydrophobicContact CD2-CD1 4.16Å; F55-L62 HydrophobicContact CE1-CD1 4.26Å; F55-L62 HydrophobicContact CZ-CD1 4.23Å; D59-L62 HydrophobicContact CB-CD1 4.04Å; D59-L62 HydrophobicContact CB-CG 4.16Å; D59-L62 WeakPolarHBondContact O-CB 3.26Å; D59-L62 WeakPolarHBondContact O-CD1 3.35Å; D59-L62 WeakPolarHBondContact O-CG 3.36Å; D59-L62 PolarHBondContact O-N 2.67Å; P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 3.42Å; L62-L64 HydrophobicContact CB-CD2 4.26Å; L62-L64 HydrophobicContact CB-CG 4.11Å; L62-L64 PolarHBondContact O-N 2.88Å |
| 63 | P | 73.4 | Confident | 80.4 | Confident | 46 Ų | 46 | 55.7 Ų | 55.7 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | trans | -78.7 | 59.4 | -178.1 | 33.7 | -36.6 | 0 | 0 | 0 | 111.8 | S65 L66 Y67 | P63-S65 PolarHBondContact O-N 2.95Å; P63-S65 VanDerWaalsContact O-N 3.16Å; P63-L66 HydrophobicContact CB-CD1 3.91Å; P63-L66 HydrophobicContact CB-CG 4.29Å; P63-L66 HydrophobicContact CG-CD1 4.46Å; P63-L66 PolarHBondContact O-N 3.44Å; P63-L66 VanDerWaalsContact O-N 3.09Å; P63-Y67 HydrophobicContact CG-CE2 4.19Å; P63-Y67 WeakPolarHBondContact O-CD2 3.4Å | ||
| 64 | L | 78 | Confident | 80.5 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -28.9 | -175.8 | -64.5 | 174.2 | 0 | 0 | 0 | 113.2 | F55 V57 L62 L66 Y67 K68 | F55-L64 HydrophobicContact CD1-CD2 4.2Å; F55-L64 HydrophobicContact CE1-CD2 3.9Å; V57-L64 HydrophobicContact CB-CD1 4.34Å; V57-L64 HydrophobicContact CG1-CD1 3.83Å; V57-L64 HydrophobicContact CG2-CD1 3.5Å; L62-L64 HydrophobicContact CB-CD2 4.26Å; L62-L64 HydrophobicContact CB-CG 4.11Å; L62-L64 PolarHBondContact O-N 2.88Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.44Å; L64-Y67 PolarHBondContact O-N 3.46Å; L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.35Å |
| 65 | S | 78.7 | Confident | 80.7 | Confident | 69 Ų | 69 | 59 Ų | 59 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 176.6 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | P63 K68 N69 | P63-S65 PolarHBondContact O-N 2.95Å; P63-S65 VanDerWaalsContact O-N 3.16Å; S65-K68 PolarHBondContact O-N 2.71Å; S65-N69 WeakPolarHBondContact O-CB 3.47Å; S65-N69 PolarHBondContact O-N 2.96Å; S65-N69 PolarHBondContact O-ND2 2.83Å; S65-N69 PolarHBondContact O-OD1 3.41Å |
| 66 | L | 77.8 | Confident | 81.1 | Confident | 82 Ų | 82 | 63 Ų | 63 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 177.3 | -67.1 | 177.5 | 0 | 0 | 0 | 111 | P63 L64 N69 A70 | P63-L66 HydrophobicContact CB-CD1 3.91Å; P63-L66 HydrophobicContact CB-CG 4.29Å; P63-L66 HydrophobicContact CG-CD1 4.46Å; P63-L66 PolarHBondContact O-N 3.44Å; P63-L66 VanDerWaalsContact O-N 3.09Å; L64-L66 VanDerWaalsContact C-N 3.35Å; L64-L66 PolarHBondContact O-N 3.44Å; L66-N69 PolarHBondContact O-N 3.4Å; L66-A70 WeakPolarHBondContact O-CB 3.35Å; L66-A70 PolarHBondContact O-N 3.49Å |
| 67 | Y | 78.8 | Confident | 81.6 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 178 | -63.2 | -74.9 | 0 | 0 | 0 | 112.2 | M1 P63 L64 A70 I71 F168 P213 | M1-Y67 HydrophobicContact CE-CD2 4.24Å; M1-Y67 HydrophobicContact CE-CE1 3.85Å; M1-Y67 HydrophobicContact CE-CE2 3.41Å; M1-Y67 VanDerWaalsContact CE-CE2 3.41Å; M1-Y67 WeakPolarHBondContact CE-OH 3.32Å; P63-Y67 HydrophobicContact CG-CE2 4.19Å; P63-Y67 WeakPolarHBondContact O-CD2 3.4Å; L64-Y67 PolarHBondContact O-N 3.46Å; Y67-A70 PolarHBondContact O-N 3.42Å; Y67-I71 VanDerWaalsContact O-CG1 3.29Å; Y67-I71 WeakPolarHBondContact O-CG1 3.18Å; Y67-I71 PolarHBondContact O-N 2.9Å; Y67-F168 HydrophobicContact CD1-CB 3.76Å; Y67-F168 HydrophobicContact CE1-CB 3.77Å; Y67-P213 HydrophobicContact CD1-CG 4.47Å; Y67-P213 HydrophobicContact CE1-CB 4.02Å; Y67-P213 HydrophobicContact CE1-CG 3.39Å; Y67-P213 HydrophobicContact CE2-CG 4.31Å; Y67-P213 WeakPolarHBondContact OH-CG 3.33Å |
| 68 | K | 83.5 | Confident | 82.3 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 29% | 0.291 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.7 | -53 | 174 | 176.9 | 178.9 | 173.8 | -174.5 | 0 | 110.8 | L64 S65 A70 I71 E72 V90 | L64-K68 WeakPolarHBondContact O-CB 3.47Å; L64-K68 PolarHBondContact O-N 3.35Å; S65-K68 PolarHBondContact O-N 2.71Å; K68-A70 VanDerWaalsContact C-N 3.26Å; K68-A70 PolarHBondContact O-N 3.01Å; K68-I71 PolarHBondContact O-N 2.95Å; K68-I71 VanDerWaalsContact O-N 3.16Å; K68-E72 WeakPolarHBondContact CE-OE1 3.04Å; K68-E72 HydrophobicContact CG-CG 4.49Å; K68-E72 IonicContact NZ-OE1 3.85Å; K68-E72 WeakPolarHBondContact O-CG 3.43Å; K68-E72 PolarHBondContact O-N 3.33Å; K68-V90 HydrophobicContact CB-CG1 4.26Å; K68-V90 HydrophobicContact CD-CG1 4.32Å; K68-V90 HydrophobicContact CG-CB 4.15Å; K68-V90 HydrophobicContact CG-CG1 3.85Å |
| 69 | N | 85.6 | Confident | 83.1 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 179.5 | -66.8 | -11 | 0 | 0 | 0 | 111.9 | S65 L66 R73 | S65-N69 WeakPolarHBondContact O-CB 3.47Å; S65-N69 PolarHBondContact O-N 2.96Å; S65-N69 PolarHBondContact O-ND2 2.83Å; S65-N69 PolarHBondContact O-OD1 3.41Å; L66-N69 PolarHBondContact O-N 3.4Å; N69-R73 VanDerWaalsContact O-CB 3.31Å; N69-R73 WeakPolarHBondContact O-CB 3.09Å; N69-R73 PolarHBondContact O-N 3.46Å |
| 70 | A | 84.2 | Confident | 83.9 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 31% | 0.306 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L66 Y67 K68 R73 I74 N167 | L66-A70 WeakPolarHBondContact O-CB 3.35Å; L66-A70 PolarHBondContact O-N 3.49Å; Y67-A70 PolarHBondContact O-N 3.42Å; K68-A70 VanDerWaalsContact C-N 3.26Å; K68-A70 PolarHBondContact O-N 3.01Å; A70-R73 PolarHBondContact O-N 3.42Å; A70-I74 VanDerWaalsContact O-CG1 3.31Å; A70-I74 WeakPolarHBondContact O-CG1 3.16Å; A70-I74 PolarHBondContact O-N 3.26Å; A70-I74 VanDerWaalsContact O-N 3.12Å; A70-N167 WeakPolarHBondContact CB-ND2 3.39Å |
| 71 | I | 87.5 | Confident | 85 | Confident | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 175.8 | -67.2 | 168.7 | 0 | 0 | 0 | 110.8 | Y67 K68 R73 I74 Y75 F87 V90 L99 | Y67-I71 VanDerWaalsContact O-CG1 3.29Å; Y67-I71 WeakPolarHBondContact O-CG1 3.18Å; Y67-I71 PolarHBondContact O-N 2.9Å; K68-I71 PolarHBondContact O-N 2.95Å; K68-I71 VanDerWaalsContact O-N 3.16Å; I71-R73 VanDerWaalsContact C-N 3.31Å; I71-R73 PolarHBondContact O-N 2.9Å; I71-I74 PolarHBondContact O-N 3.43Å; I71-Y75 PolarHBondContact O-N 3.41Å; I71-F87 HydrophobicContact CG2-CB 3.84Å; I71-F87 HydrophobicContact CG2-CD2 4.41Å; I71-V90 HydrophobicContact CB-CG2 4.08Å; I71-V90 HydrophobicContact CG2-CG2 3.55Å; I71-L99 HydrophobicContact CD1-CD1 4.15Å; I71-L99 HydrophobicContact CD1-CD2 3.64Å |
| 72 | E | 89.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.4 | -71.7 | 173.9 | 165.2 | 0 | 0 | 111.4 | K68 I74 Y75 E76 | K68-E72 WeakPolarHBondContact CE-OE1 3.04Å; K68-E72 HydrophobicContact CG-CG 4.49Å; K68-E72 IonicContact NZ-OE1 3.85Å; K68-E72 WeakPolarHBondContact O-CG 3.43Å; K68-E72 PolarHBondContact O-N 3.33Å; E72-I74 PolarHBondContact O-N 3.4Å; E72-Y75 PolarHBondContact O-N 3.42Å; E72-E76 PolarHBondContact O-N 2.76Å |
| 73 | R | 90 | Very high | 87.1 | Confident | 165 Ų | 165 | 59.3 Ų | 59.3 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -40 | 174 | -177.1 | -179.7 | 179.4 | -171.4 | -2.8 | 112.8 | N69 A70 I71 K77 | N69-R73 VanDerWaalsContact O-CB 3.31Å; N69-R73 WeakPolarHBondContact O-CB 3.09Å; N69-R73 PolarHBondContact O-N 3.46Å; A70-R73 PolarHBondContact O-N 3.42Å; I71-R73 VanDerWaalsContact C-N 3.31Å; I71-R73 PolarHBondContact O-N 2.9Å; R73-K77 PolarHBondContact O-N 3.01Å |
| 74 | I | 91.4 | Very high | 88.1 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 176.7 | -70.2 | 166.2 | 0 | 0 | 0 | 109.9 | A70 I71 E72 K77 L78 P86 I142 F165 N167 | A70-I74 VanDerWaalsContact O-CG1 3.31Å; A70-I74 WeakPolarHBondContact O-CG1 3.16Å; A70-I74 PolarHBondContact O-N 3.26Å; A70-I74 VanDerWaalsContact O-N 3.12Å; I71-I74 PolarHBondContact O-N 3.43Å; E72-I74 PolarHBondContact O-N 3.4Å; I74-K77 PolarHBondContact O-N 2.96Å; I74-L78 HydrophobicContact CG2-CD1 3.88Å; I74-L78 WeakPolarHBondContact O-CB 3.26Å; I74-L78 PolarHBondContact O-N 3.17Å; I74-P86 HydrophobicContact CG2-CB 4.05Å; I74-I142 HydrophobicContact CG1-CD1 4.45Å; I74-I142 HydrophobicContact CG2-CD1 4.36Å; I74-F165 HydrophobicContact CD1-CB 4.45Å; I74-F165 HydrophobicContact CG2-CB 4.33Å; I74-F165 HydrophobicContact CG2-CD1 4.33Å; I74-F165 HydrophobicContact CG2-CG 4.14Å; I74-N167 HydrophobicContact CD1-CB 4.05Å |
| 75 | Y | 92.5 | Very high | 88.9 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 175.5 | 175.1 | -101.3 | 0 | 0 | 0 | 111.7 | I71 E72 K77 L78 K79 P86 | I71-Y75 PolarHBondContact O-N 3.41Å; E72-Y75 PolarHBondContact O-N 3.42Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.19Å; Y75-L78 PolarHBondContact O-N 3.35Å; Y75-K79 WeakPolarHBondContact O-CB 3.41Å; Y75-K79 PolarHBondContact O-N 3.15Å; Y75-P86 HydrophobicContact CD2-CG 4Å |
| 76 | E | 92.1 | Very high | 89.5 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | -178.7 | -76.7 | -61.1 | 154 | 0 | 0 | 113.8 | E72 K79 | E72-E76 PolarHBondContact O-N 2.76Å; E76-K79 IonicContact OE2-NZ 3.48Å; E76-K79 PolarHBondContact OE2-NZ 3.38Å |
| 77 | K | 93 | Very high | 90.2 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.4 | -33.6 | 177.5 | -80.8 | -175.5 | 160.1 | -159.7 | 0 | 113.1 | R73 I74 Y75 N140 I142 | R73-K77 PolarHBondContact O-N 3.01Å; I74-K77 PolarHBondContact O-N 2.96Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.19Å; K77-N140 HydrophobicContact CB-CB 4.35Å; K77-N140 WeakPolarHBondContact CD-O 3.37Å; K77-N140 WeakPolarHBondContact CE-O 3.26Å; K77-N140 PolarHBondContact NZ-O 3.28Å; K77-N140 PolarHBondContact O-OD1 3.35Å; K77-N140 VanDerWaalsContact O-OD1 3.13Å; K77-I142 HydrophobicContact CB-CD1 3.5Å; K77-I142 VanDerWaalsContact CB-CD1 3.5Å; K77-I142 HydrophobicContact CD-CD1 3.63Å; K77-I142 HydrophobicContact CD-CG1 3.96Å; K77-I142 HydrophobicContact CG-CD1 4.23Å |
| 78 | L | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -103.8 | 1.6 | -174.2 | -63.7 | -179.5 | 0 | 0 | 0 | 114.2 | I74 Y75 D80 S81 C84 P86 N140 I142 F165 | I74-L78 HydrophobicContact CG2-CD1 3.88Å; I74-L78 WeakPolarHBondContact O-CB 3.26Å; I74-L78 PolarHBondContact O-N 3.17Å; Y75-L78 PolarHBondContact O-N 3.35Å; L78-D80 PolarHBondContact O-N 3.03Å; L78-D80 VanDerWaalsContact O-N 3.16Å; L78-S81 VanDerWaalsContact O-CB 3.26Å; L78-S81 WeakPolarHBondContact O-CB 3.41Å; L78-S81 PolarHBondContact O-N 3.28Å; L78-C84 HydrophobicContact CB-CB 4.3Å; L78-C84 HydrophobicContact CD1-CB 4.18Å; L78-P86 HydrophobicContact CB-CG 4.06Å; L78-N140 HydrophobicContact CD2-CB 4.06Å; L78-I142 HydrophobicContact CD1-CD1 3.92Å; L78-I142 HydrophobicContact CD1-CG2 4.3Å; L78-I142 HydrophobicContact CD2-CD1 3.95Å; L78-I142 HydrophobicContact CG-CD1 3.58Å; L78-F165 HydrophobicContact CD1-CD1 4.26Å; L78-F165 HydrophobicContact CD1-CE1 3.55Å; L78-F165 HydrophobicContact CD1-CE2 4.03Å; L78-F165 HydrophobicContact CD1-CZ 3.43Å; L78-F165 VanDerWaalsContact CD1-CZ 3.43Å |
| 79 | K | 87.8 | Confident | 90.9 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 46% | 0.461 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.4 | -179 | 67.5 | -173.6 | 176.3 | -169.5 | 0 | 113.9 | Y75 E76 | Y75-K79 WeakPolarHBondContact O-CB 3.41Å; Y75-K79 PolarHBondContact O-N 3.15Å; E76-K79 IonicContact OE2-NZ 3.48Å; E76-K79 PolarHBondContact OE2-NZ 3.38Å |
| 80 | D | 88.9 | Confident | 91 | Very high | 137 Ų | 137 | 51.8 Ų | 51.8 | 73% | 0.733 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.1 | 178.9 | -57.9 | -49.6 | 0 | 0 | 0 | 112.5 | L78 P82 | L78-D80 PolarHBondContact O-N 3.03Å; L78-D80 VanDerWaalsContact O-N 3.16Å; D80-P82 WeakPolarHBondContact O-CD 3.22Å |
| 81 | S | 93.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | trans | -96.6 | 102.1 | -179.1 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | L78 N83 C84 | L78-S81 VanDerWaalsContact O-CB 3.26Å; L78-S81 WeakPolarHBondContact O-CB 3.41Å; L78-S81 PolarHBondContact O-N 3.28Å; S81-N83 PolarHBondContact O-N 3.47Å; S81-N83 VanDerWaalsContact O-N 3.11Å; S81-C84 PolarHBondContact O-N 2.79Å; S81-C84 VanDerWaalsContact O-N 3.12Å | ||
| 82 | P | 92.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -14.9 | -167 | 30.6 | -40.8 | 0 | 0 | 0 | 114.6 | D80 W159 L161 W315 K319 | D80-P82 WeakPolarHBondContact O-CD 3.22Å; P82-W159 HydrophobicContact CB-CZ2 4.14Å; P82-W159 PolarHBondContact O-NE1 3.01Å; P82-L161 VanDerWaalsContact O-CD2 3.29Å; P82-L161 WeakPolarHBondContact O-CD2 3.34Å; P82-W315 HydrophobicContact CG-CZ2 4.01Å; P82-K319 HydrophobicContact CB-CG 4.35Å; P82-K319 HydrophobicContact CG-CD 4.19Å |
| 83 | N | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 9.8 | 178.5 | -62.6 | 108.7 | 0 | 0 | 0 | 112.9 | S81 Q129 A133 Q136 W159 T160 L161 L162 W315 | S81-N83 PolarHBondContact O-N 3.47Å; S81-N83 VanDerWaalsContact O-N 3.11Å; N83-Q129 PolarHBondContact ND2-OE1 3.45Å; N83-A133 HydrophobicContact CB-CB 3.71Å; N83-A133 WeakPolarHBondContact O-CB 3.43Å; N83-Q136 PolarHBondContact OD1-NE2 3.19Å; N83-Q136 VanDerWaalsContact OD1-NE2 3.14Å; N83-W159 WeakPolarHBondContact ND2-CZ2 3.33Å; N83-T160 PolarHBondContact ND2-O 3.35Å; N83-T160 VanDerWaalsContact ND2-O 3.1Å; N83-L161 WeakPolarHBondContact O-CA 3.16Å; N83-L162 PolarHBondContact O-N 3.33Å; N83-W315 PolarHBondContact OD1-NE1 2.81Å |
| 84 | C | 95.2 | Very high | 89.9 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.8 | 178.6 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | L78 S81 P86 C137 F165 | L78-C84 HydrophobicContact CB-CB 4.3Å; L78-C84 HydrophobicContact CD1-CB 4.18Å; S81-C84 PolarHBondContact O-N 2.79Å; S81-C84 VanDerWaalsContact O-N 3.12Å; C84-P86 VanDerWaalsContact C-CD 3.44Å; C84-P86 WeakPolarHBondContact O-CD 3.39Å; C84-C137 VanDerWaalsContact SG-SG 3.62Å; C84-F165 HydrophobicContact CB-CE2 4.38Å; C84-F165 HydrophobicContact CB-CZ 4.09Å |
| 85 | L | 94 | Very high | 89.3 | Confident | 25 Ų | 25 | 58 Ų | 58 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 74.6 | 175.9 | -171.1 | 68.9 | 0 | 0 | 0 | 110.7 | Q102 I104 L153 L161 L162 | L85-Q102 HydrophobicContact CD1-CB 4.47Å; L85-I104 HydrophobicContact CD2-CD1 4.22Å; L85-I104 HydrophobicContact CD2-CG1 3.72Å; L85-L153 HydrophobicContact CD2-CD1 3.96Å; L85-L161 HydrophobicContact CB-CB 4.12Å; L85-L161 HydrophobicContact CB-CD1 4.49Å; L85-L161 HydrophobicContact CD2-CD1 4.33Å; L85-L162 PolarHBondContact N-O 2.75Å |
| 86 | P | 92.7 | Very high | 89 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | trans | -66.8 | 165 | 173.1 | 31.4 | -37.4 | 0 | 0 | 0 | 111.7 | I74 Y75 L78 C84 S88 F165 | I74-P86 HydrophobicContact CG2-CB 4.05Å; Y75-P86 HydrophobicContact CD2-CG 4Å; L78-P86 HydrophobicContact CB-CG 4.06Å; C84-P86 VanDerWaalsContact C-CD 3.44Å; C84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-S88 PolarHBondContact O-N 2.76Å; P86-S88 VanDerWaalsContact O-N 3.17Å; P86-F165 HydrophobicContact CB-CD2 4.38Å | ||
| 87 | F | 91.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.044 | 26% | 0.264 | C | S | . | . | trans | -65.9 | 116.9 | 173.2 | -69.3 | -73.4 | 0 | 0 | 0 | 110.5 | K53 I71 K89 L99 R101 D164 | K53-F87 HydrophobicContact CD-CE1 4.21Å; K53-F87 HydrophobicContact CD-CZ 3.88Å; K53-F87 HydrophobicContact CG-CE1 4.34Å; K53-F87 HydrophobicContact CG-CZ 4.5Å; I71-F87 HydrophobicContact CG2-CB 3.84Å; I71-F87 HydrophobicContact CG2-CD2 4.41Å; F87-K89 VanDerWaalsContact C-N 3.35Å; F87-K89 PolarHBondContact O-N 3.34Å; F87-L99 HydrophobicContact CD1-CB 3.53Å; F87-L99 HydrophobicContact CD2-CB 4.36Å; F87-L99 HydrophobicContact CD2-CD1 4.2Å; F87-L99 HydrophobicContact CE1-CB 3.68Å; F87-L99 HydrophobicContact CE1-CD1 4.47Å; F87-L99 HydrophobicContact CE2-CB 4.49Å; F87-L99 HydrophobicContact CE2-CD1 3.97Å; F87-L99 HydrophobicContact CG-CB 3.89Å; F87-L99 HydrophobicContact CZ-CB 4.18Å; F87-L99 HydrophobicContact CZ-CD1 4.13Å; F87-R101 HydrophobicContact CD1-CB 4.03Å; F87-R101 HydrophobicContact CD1-CG 4.06Å; F87-R101 HydrophobicContact CE1-CG 4.03Å; F87-D164 VanDerWaalsContact CZ-OD1 3.25Å; F87-D164 WeakPolarHBondContact CZ-OD1 3.47Å | ||
| 88 | S | 88.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -67.7 | -30.9 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | P86 I100 | P86-S88 PolarHBondContact O-N 2.76Å; P86-S88 VanDerWaalsContact O-N 3.17Å; S88-I100 PolarHBondContact N-O 3.02Å; S88-I100 PolarHBondContact OG-O 3.46Å |
| 89 | K | 88.1 | Confident | 88.4 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 53% | 0.53 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 139.8 | -174.7 | -167.7 | 172.4 | -176.8 | 175.9 | 0 | 111.2 | F87 M91 I100 | F87-K89 VanDerWaalsContact C-N 3.35Å; F87-K89 PolarHBondContact O-N 3.34Å; K89-M91 HydrophobicContact CD-CG 4.37Å; K89-M91 HydrophobicContact CD-SD 4.35Å; K89-M91 HydrophobicContact CG-CG 4.19Å; K89-I100 HydrophobicContact CB-CB 4.26Å; K89-I100 PolarHBondContact N-O 3.11Å; K89-I100 PolarHBondContact O-N 3.19Å |
| 90 | V | 88.5 | Confident | 88.5 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.3 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | K68 I71 F98 L99 | K68-V90 HydrophobicContact CB-CG1 4.26Å; K68-V90 HydrophobicContact CD-CG1 4.32Å; K68-V90 HydrophobicContact CG-CB 4.15Å; K68-V90 HydrophobicContact CG-CG1 3.85Å; I71-V90 HydrophobicContact CB-CG2 4.08Å; I71-V90 HydrophobicContact CG2-CG2 3.55Å; V90-F98 WeakPolarHBondContact CA-O 3.39Å; V90-L99 HydrophobicContact CB-CD2 4.3Å; V90-L99 HydrophobicContact CG1-CD2 3.85Å; V90-L99 HydrophobicContact CG2-CD2 3.73Å |
| 91 | M | 86.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 33% | 0.33 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.2 | 176.3 | -60 | -179.4 | 65.1 | 0 | 0 | 109.8 | L23 K89 S97 F98 I100 | L23-M91 HydrophobicContact CD2-CE 3.77Å; L23-M91 HydrophobicContact CD2-SD 4.07Å; K89-M91 HydrophobicContact CD-CG 4.37Å; K89-M91 HydrophobicContact CD-SD 4.35Å; K89-M91 HydrophobicContact CG-CG 4.19Å; M91-S97 CarbonylContact O-C 3.57Å; M91-S97 WeakPolarHBondContact O-CA 3.37Å; M91-F98 HydrophobicContact CB-CB 4.22Å; M91-F98 HydrophobicContact CB-CD2 4.25Å; M91-F98 PolarHBondContact N-O 3.04Å; M91-F98 PolarHBondContact O-N 3.04Å; M91-I100 HydrophobicContact CG-CD1 4.17Å; M91-I100 HydrophobicContact SD-CD1 3.7Å |
| 92 | Q | 82.6 | Confident | 88.6 | Confident | 108 Ų | 108 | 42 Ų | 42 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.1 | 178.8 | -174.6 | 175.2 | -0.6 | 0 | 0 | 109 | ||
| 93 | S | 81.3 | Confident | 88.5 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | trans | -108.9 | 175.1 | 169.6 | 71.1 | 0 | 0 | 0 | 0 | 109.9 | K95 A96 | S93-K95 PolarHBondContact O-N 2.93Å; S93-K95 PolarHBondContact OG-N 3.05Å; S93-A96 PolarHBondContact N-O 3.18Å; S93-A96 PolarHBondContact OG-N 3.2Å; S93-A96 PolarHBondContact OG-O 3.36Å | ||
| 94 | S | 77.5 | Confident | 88.3 | Confident | 117 Ų | 117 | 44.2 Ų | 44.2 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -64.9 | -20.1 | 174.6 | 55 | 0 | 0 | 0 | 0 | 113.8 | ||
| 95 | K | 80 | Confident | 87.7 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 50% | 0.496 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -111.2 | -26.9 | -175 | -61.6 | 176.2 | -173.3 | 164.4 | 0 | 113.7 | V57 S93 | V57-K95 PolarHBondContact N-O 3.4Å; S93-K95 PolarHBondContact O-N 2.93Å; S93-K95 PolarHBondContact OG-N 3.05Å |
| 96 | A | 85.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 150.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y19 V54 F55 S93 F98 | Y19-A96 HydrophobicContact CD1-CB 3.98Å; Y19-A96 HydrophobicContact CE1-CB 4.46Å; V54-A96 HydrophobicContact CG1-CB 3.8Å; F55-A96 CarbonylContact O-C 3.58Å; F55-A96 WeakPolarHBondContact O-CA 3.03Å; F55-A96 WeakPolarHBondContact O-CB 3.15Å; S93-A96 PolarHBondContact N-O 3.18Å; S93-A96 PolarHBondContact OG-N 3.2Å; S93-A96 PolarHBondContact OG-O 3.36Å; A96-F98 HydrophobicContact CB-CE1 4.45Å; A96-F98 HydrophobicContact CB-CE2 4.21Å; A96-F98 HydrophobicContact CB-CZ 3.96Å; A96-F98 WeakPolarHBondContact O-CE2 3.42Å |
| 97 | S | 86.4 | Confident | 87.4 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.4 | 167.4 | -61.9 | 0 | 0 | 0 | 0 | 110 | F55 M91 | F55-S97 PolarHBondContact N-O 3.43Å; F55-S97 PolarHBondContact O-N 2.49Å; M91-S97 CarbonylContact O-C 3.57Å; M91-S97 WeakPolarHBondContact O-CA 3.37Å |
| 98 | F | 88.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.8 | -173.8 | -53.5 | -91.1 | 0 | 0 | 0 | 109.7 | Y19 L23 V52 K53 V54 V90 M91 A96 | Y19-F98 WeakPolarHBondContact O-CE1 3.41Å; Y19-F98 WeakPolarHBondContact O-CZ 3.41Å; L23-F98 HydrophobicContact CD1-CD1 3.89Å; L23-F98 HydrophobicContact CD1-CE1 4.09Å; L23-F98 HydrophobicContact CD1-CG 4.23Å; L23-F98 HydrophobicContact CD2-CD2 4.18Å; L23-F98 HydrophobicContact CD2-CE2 4.19Å; L23-F98 HydrophobicContact CD2-CG 4.44Å; L23-F98 HydrophobicContact CD2-CZ 4.46Å; L23-F98 HydrophobicContact CG-CE1 4.41Å; L23-F98 HydrophobicContact CG-CZ 4.46Å; V52-F98 HydrophobicContact CG1-CB 4.18Å; V52-F98 HydrophobicContact CG1-CD1 3.8Å; V52-F98 HydrophobicContact CG1-CG 4.48Å; K53-F98 CarbonylContact O-C 3.59Å; K53-F98 WeakPolarHBondContact O-CA 3.44Å; V54-F98 HydrophobicContact CB-CD1 4.47Å; V54-F98 HydrophobicContact CG1-CD1 4.27Å; V54-F98 HydrophobicContact CG1-CE1 3.99Å; V54-F98 HydrophobicContact CG2-CD1 3.87Å; V54-F98 HydrophobicContact CG2-CE1 3.99Å; V90-F98 WeakPolarHBondContact CA-O 3.39Å; M91-F98 HydrophobicContact CB-CB 4.22Å; M91-F98 HydrophobicContact CB-CD2 4.25Å; M91-F98 PolarHBondContact N-O 3.04Å; M91-F98 PolarHBondContact O-N 3.04Å; A96-F98 HydrophobicContact CB-CE1 4.45Å; A96-F98 HydrophobicContact CB-CE2 4.21Å; A96-F98 HydrophobicContact CB-CZ 3.96Å; A96-F98 WeakPolarHBondContact O-CE2 3.42Å |
| 99 | L | 90.3 | Very high | 87.5 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.2 | 170.7 | -50.3 | 178.3 | 0 | 0 | 0 | 108.6 | M38 V52 K53 I71 F87 V90 | M38-L99 HydrophobicContact CE-CD1 3.96Å; M38-L99 HydrophobicContact SD-CD1 4.13Å; V52-L99 WeakPolarHBondContact CA-O 3.12Å; K53-L99 HydrophobicContact CB-CB 4.24Å; K53-L99 PolarHBondContact N-O 2.92Å; K53-L99 PolarHBondContact O-N 3.39Å; I71-L99 HydrophobicContact CD1-CD1 4.15Å; I71-L99 HydrophobicContact CD1-CD2 3.64Å; F87-L99 HydrophobicContact CD1-CB 3.53Å; F87-L99 HydrophobicContact CD2-CB 4.36Å; F87-L99 HydrophobicContact CD2-CD1 4.2Å; F87-L99 HydrophobicContact CE1-CB 3.68Å; F87-L99 HydrophobicContact CE1-CD1 4.47Å; F87-L99 HydrophobicContact CE2-CB 4.49Å; F87-L99 HydrophobicContact CE2-CD1 3.97Å; F87-L99 HydrophobicContact CG-CB 3.89Å; F87-L99 HydrophobicContact CZ-CB 4.18Å; F87-L99 HydrophobicContact CZ-CD1 4.13Å; V90-L99 HydrophobicContact CB-CD2 4.3Å; V90-L99 HydrophobicContact CG1-CD2 3.85Å; V90-L99 HydrophobicContact CG2-CD2 3.73Å |
| 100 | I | 90.8 | Very high | 87.5 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | -171 | -48.9 | 177.6 | 0 | 0 | 0 | 109.3 | M26 C50 V51 V52 S88 K89 M91 | M26-I100 HydrophobicContact CE-CD1 4.32Å; M26-I100 HydrophobicContact CE-CG2 4.35Å; C50-I100 HydrophobicContact CB-CG2 4.12Å; V51-I100 WeakPolarHBondContact O-CA 3.38Å; V52-I100 HydrophobicContact CG2-CG1 4.31Å; S88-I100 PolarHBondContact N-O 3.02Å; S88-I100 PolarHBondContact OG-O 3.46Å; K89-I100 HydrophobicContact CB-CB 4.26Å; K89-I100 PolarHBondContact N-O 3.11Å; K89-I100 PolarHBondContact O-N 3.19Å; M91-I100 HydrophobicContact CG-CD1 4.17Å; M91-I100 HydrophobicContact SD-CD1 3.7Å |
| 101 | R | 92.3 | Very high | 87.6 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 167.9 | 171 | 63.8 | 170.5 | 178.7 | 76.9 | -9.4 | 110.7 | C50 V51 F87 D164 | C50-R101 CarbonylContact C-O 3.59Å; C50-R101 VanDerWaalsContact CA-O 3.32Å; C50-R101 WeakPolarHBondContact CA-O 3.42Å; C50-R101 WeakPolarHBondContact CB-O 3.45Å; V51-R101 HydrophobicContact CB-CG 4.2Å; V51-R101 PolarHBondContact N-O 3.41Å; V51-R101 PolarHBondContact O-N 2.85Å; V51-R101 VanDerWaalsContact O-N 3.14Å; F87-R101 HydrophobicContact CD1-CB 4.03Å; F87-R101 HydrophobicContact CD1-CG 4.06Å; F87-R101 HydrophobicContact CE1-CG 4.03Å; R101-D164 IonicContact CZ-OD1 2.9Å; R101-D164 IonicContact NE-OD1 2.69Å; R101-D164 PolarHBondContact NE-OD1 3.24Å; R101-D164 IonicContact NH2-OD1 3.73Å; R101-D164 IonicContact NH2-OD2 2.76Å |
| 102 | Q | 90.9 | Very high | 87.7 | Confident | 111 Ų | 111 | 46 Ų | 46 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 143.1 | 172.9 | -168.2 | 177.9 | 10.8 | 0 | 0 | 111.4 | L85 I104 | L85-Q102 HydrophobicContact CD1-CB 4.47Å; Q102-I104 HydrophobicContact CG-CD1 4.36Å |
| 103 | Y | 91.3 | Very high | 87.7 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | trans | -78.8 | 133.4 | 168.7 | 175.2 | -97.4 | 0 | 0 | 0 | 110.4 | L32 R42 Q49 V51 | L32-Y103 HydrophobicContact CD1-CD2 4.24Å; L32-Y103 HydrophobicContact CD1-CE2 4.21Å; L32-Y103 HydrophobicContact CD2-CE2 4.44Å; R42-Y103 HydrophobicContact CG-CD2 4.01Å; R42-Y103 HydrophobicContact CG-CE2 4.39Å; R42-Y103 HydrophobicContact CG-CG 4.27Å; R42-Y103 PolarHBondContact NH1-OH 2.72Å; Q49-Y103 HydrophobicContact CB-CD1 4.35Å; Q49-Y103 HydrophobicContact CB-CG 4.43Å; Q49-Y103 WeakPolarHBondContact O-CB 3.38Å; Q49-Y103 PolarHBondContact O-N 2.89Å; V51-Y103 HydrophobicContact CG2-CD2 3.73Å; V51-Y103 HydrophobicContact CG2-CG 4.38Å | ||
| 104 | I | 90.8 | Very high | 87.9 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -120.6 | 141.1 | 176.4 | -54 | -62.5 | 0 | 0 | 0 | 107.6 | L85 Q102 Y106 L153 I154 T155 L161 | L85-I104 HydrophobicContact CD2-CD1 4.22Å; L85-I104 HydrophobicContact CD2-CG1 3.72Å; Q102-I104 HydrophobicContact CG-CD1 4.36Å; I104-Y106 PolarHBondContact O-N 2.78Å; I104-L153 HydrophobicContact CB-CB 3.92Å; I104-L153 HydrophobicContact CB-CD1 4Å; I104-L153 HydrophobicContact CG1-CB 4.22Å; I104-L153 HydrophobicContact CG1-CD1 3.86Å; I104-L153 HydrophobicContact CG2-CB 3.82Å; I104-I154 VanDerWaalsContact CG2-C 3.48Å; I104-I154 WeakPolarHBondContact CG2-O 3.35Å; I104-T155 HydrophobicContact CD1-CG2 4.27Å; I104-T155 HydrophobicContact CG2-CG2 4.04Å; I104-L161 HydrophobicContact CD1-CD1 3.74Å; I104-L161 HydrophobicContact CG1-CD1 4.07Å | ||
| 105 | S | 82.6 | Confident | 88.2 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -57.5 | -41.1 | -165.8 | -52.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 106 | Y | 89.3 | Confident | 88.4 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.7 | -173.3 | -50.2 | -76.9 | 0 | 0 | 0 | 111.2 | I104 L153 I154 | I104-Y106 PolarHBondContact O-N 2.78Å; Y106-L153 CarbonylContact O-C 3.56Å; Y106-L153 WeakPolarHBondContact O-CA 3.38Å; Y106-I154 PolarHBondContact N-O 2.83Å; Y106-I154 PolarHBondContact O-N 3.45Å |
| 107 | S | 91.7 | Very high | 88.5 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 159.4 | 153.7 | 70.9 | 0 | 0 | 0 | 0 | 109.8 | Y109 D110 R111 V152 | S107-Y109 PolarHBondContact O-N 3.41Å; S107-D110 WeakPolarHBondContact CB-OD2 3.46Å; S107-D110 PolarHBondContact N-OD2 3.18Å; S107-D110 PolarHBondContact O-N 3.13Å; S107-D110 PolarHBondContact OG-N 3.33Å; S107-D110 VanDerWaalsContact OG-N 3.14Å; S107-D110 PolarHBondContact OG-OD2 3.23Å; S107-R111 WeakPolarHBondContact O-CB 3.44Å; S107-R111 PolarHBondContact O-N 3.04Å; S107-V152 CarbonylContact C-O 3.59Å; S107-V152 VanDerWaalsContact CA-O 3.3Å; S107-V152 WeakPolarHBondContact CA-O 3.42Å |
| 108 | L | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 174.3 | 172.7 | 58.7 | 0 | 0 | 0 | 110.8 | R111 L112 L118 I126 T149 V152 I154 V237 L241 | L108-R111 PolarHBondContact O-N 3.34Å; L108-L112 HydrophobicContact CD1-CD1 4.26Å; L108-L112 HydrophobicContact CD1-CG 4.04Å; L108-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CG-CG 4.45Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 3.32Å; L108-L118 HydrophobicContact CD1-CD1 4.31Å; L108-I126 HydrophobicContact CD1-CD1 4.39Å; L108-I126 HydrophobicContact CD1-CG2 4.45Å; L108-I126 HydrophobicContact CD2-CG2 4.42Å; L108-T149 HydrophobicContact CD2-CG2 4.07Å; L108-T149 HydrophobicContact CG-CG2 4.28Å; L108-T149 PolarHBondContact N-O 3.2Å; L108-V152 HydrophobicContact CB-CB 3.81Å; L108-V152 HydrophobicContact CB-CG1 3.76Å; L108-V152 HydrophobicContact CD2-CB 4.28Å; L108-V152 HydrophobicContact CD2-CG1 4.07Å; L108-V152 PolarHBondContact N-O 3.4Å; L108-I154 HydrophobicContact CB-CD1 3.98Å; L108-I154 HydrophobicContact CD1-CD1 3.6Å; L108-I154 HydrophobicContact CG-CD1 4.37Å; L108-V237 HydrophobicContact CD2-CG1 3.85Å; L108-L241 HydrophobicContact CD1-CD1 3.92Å |
| 109 | Y | 89.2 | Confident | 88.7 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 173.1 | 176.6 | -108.8 | 0 | 0 | 0 | 112.4 | S107 R111 L112 T149 E150 R190 | S107-Y109 PolarHBondContact O-N 3.41Å; Y109-R111 VanDerWaalsContact C-N 3.32Å; Y109-R111 PolarHBondContact O-N 3.2Å; Y109-L112 PolarHBondContact O-N 3.47Å; Y109-T149 PolarHBondContact N-O 3.01Å; Y109-E150 HydrophobicContact CG-CG 4.45Å; Y109-R190 VanDerWaalsContact CD2-CZ 3.49Å; Y109-R190 VanDerWaalsContact CD2-NH1 3.32Å; Y109-R190 VanDerWaalsContact CE2-NE 3.29Å |
| 110 | D | 88.8 | Confident | 88.8 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178 | -55.1 | -43.9 | 0 | 0 | 0 | 110.9 | S107 L112 S113 T114 | S107-D110 WeakPolarHBondContact CB-OD2 3.46Å; S107-D110 PolarHBondContact N-OD2 3.18Å; S107-D110 PolarHBondContact O-N 3.13Å; S107-D110 PolarHBondContact OG-N 3.33Å; S107-D110 VanDerWaalsContact OG-N 3.14Å; S107-D110 PolarHBondContact OG-OD2 3.23Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.37Å; D110-S113 PolarHBondContact O-N 3.18Å; D110-S113 PolarHBondContact O-OG 3.08Å; D110-S113 VanDerWaalsContact O-OG 3.06Å; D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 3.49Å |
| 111 | R | 90.2 | Very high | 88.9 | Confident | 33 Ų | 33 | 57 Ų | 57 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -34.7 | -177.4 | -176.1 | 63.2 | -169 | 92.5 | -6.9 | 112.9 | S107 L108 Y109 S113 T114 P116 L118 I154 | S107-R111 WeakPolarHBondContact O-CB 3.44Å; S107-R111 PolarHBondContact O-N 3.04Å; L108-R111 PolarHBondContact O-N 3.34Å; Y109-R111 VanDerWaalsContact C-N 3.32Å; Y109-R111 PolarHBondContact O-N 3.2Å; R111-S113 PolarHBondContact O-N 3.44Å; R111-T114 PolarHBondContact NH1-O 2.87Å; R111-T114 PolarHBondContact O-N 3.45Å; R111-P116 VanDerWaalsContact CZ-O 3.24Å; R111-P116 PolarHBondContact NH1-O 3.37Å; R111-P116 PolarHBondContact NH2-O 2.8Å; R111-L118 HydrophobicContact CG-CD1 4.1Å; R111-L118 HydrophobicContact CG-CD2 4.08Å; R111-L118 HydrophobicContact CG-CG 4.2Å; R111-I154 HydrophobicContact CB-CD1 4.15Å; R111-I154 HydrophobicContact CG-CD1 4.13Å |
| 112 | L | 88.3 | Confident | 88.9 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -26.3 | 178 | -77.7 | 167.4 | 0 | 0 | 0 | 113.1 | L108 Y109 D110 L118 T149 L241 N245 | L108-L112 HydrophobicContact CD1-CD1 4.26Å; L108-L112 HydrophobicContact CD1-CG 4.04Å; L108-L112 HydrophobicContact CG-CD1 4.18Å; L108-L112 HydrophobicContact CG-CG 4.45Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 3.32Å; Y109-L112 PolarHBondContact O-N 3.47Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.37Å; L112-L118 HydrophobicContact CD2-CD1 4.24Å; L112-T149 HydrophobicContact CD1-CG2 4.49Å; L112-L241 HydrophobicContact CD2-CD1 3.77Å; L112-N245 VanDerWaalsContact CB-OD1 3.27Å; L112-N245 WeakPolarHBondContact CB-OD1 3.22Å; L112-N245 WeakPolarHBondContact CD1-OD1 3.31Å |
| 113 | S | 83.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 53% | 0.531 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -101.3 | -7.3 | 180 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | D110 R111 | D110-S113 PolarHBondContact O-N 3.18Å; D110-S113 PolarHBondContact O-OG 3.08Å; D110-S113 VanDerWaalsContact O-OG 3.06Å; R111-S113 PolarHBondContact O-N 3.44Å |
| 114 | T | 84.9 | Confident | 89.3 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -94.3 | 130.7 | -177 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | D110 R111 P116 | D110-T114 PolarHBondContact O-N 3.38Å; D110-T114 PolarHBondContact O-OG1 3.49Å; R111-T114 PolarHBondContact NH1-O 2.87Å; R111-T114 PolarHBondContact O-N 3.45Å; T114-P116 CarbonylContact O-C 3.5Å |
| 115 | R | 83.3 | Confident | 89.6 | Confident | 199 Ų | 199 | 50.4 Ų | 50.4 | 75% | 0.751 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.5 | 148.5 | 170.8 | -73.5 | -169.9 | 177.5 | -165.1 | 0.3 | 111.9 | F117 | R115-F117 HydrophobicContact CG-CD2 4.23Å; R115-F117 HydrophobicContact CG-CE1 4.14Å; R115-F117 HydrophobicContact CG-CE2 3.8Å; R115-F117 HydrophobicContact CG-CZ 3.75Å |
| 116 | P | 85.4 | Confident | 90.2 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -70.9 | 143.5 | -5.5 | 26.9 | -30.6 | 0 | 0 | 0 | 111.3 | R111 T114 D399 R400 | R111-P116 VanDerWaalsContact CZ-O 3.24Å; R111-P116 PolarHBondContact NH1-O 3.37Å; R111-P116 PolarHBondContact NH2-O 2.8Å; T114-P116 CarbonylContact O-C 3.5Å; P116-D399 HydrophobicContact CB-CB 4.31Å; P116-R400 HydrophobicContact CB-CG 4.44Å; P116-R400 HydrophobicContact CG-CG 3.83Å |
| 117 | F | 86.7 | Confident | 90.6 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 47% | 0.474 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 156.7 | -177.3 | -61.6 | -63.7 | 0 | 0 | 0 | 111.7 | R115 T119 R400 | R115-F117 HydrophobicContact CG-CD2 4.23Å; R115-F117 HydrophobicContact CG-CE1 4.14Å; R115-F117 HydrophobicContact CG-CE2 3.8Å; R115-F117 HydrophobicContact CG-CZ 3.75Å; F117-T119 PolarHBondContact O-N 2.97Å; F117-R400 PolarHBondContact O-NH2 2.94Å |
| 118 | L | 89.9 | Confident | 90.9 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 126.7 | 177.5 | -66.5 | 171 | 0 | 0 | 0 | 110.1 | L108 R111 L112 E122 K123 I126 L241 | L108-L118 HydrophobicContact CD1-CD1 4.31Å; R111-L118 HydrophobicContact CG-CD1 4.1Å; R111-L118 HydrophobicContact CG-CD2 4.08Å; R111-L118 HydrophobicContact CG-CG 4.2Å; L112-L118 HydrophobicContact CD2-CD1 4.24Å; L118-E122 WeakPolarHBondContact CA-OE2 3.44Å; L118-E122 HydrophobicContact CB-CB 4.44Å; L118-E122 HydrophobicContact CD2-CB 4.08Å; L118-K123 HydrophobicContact CB-CG 3.88Å; L118-K123 WeakPolarHBondContact O-CE 3.12Å; L118-I126 HydrophobicContact CD1-CD1 3.62Å; L118-I126 HydrophobicContact CD2-CD1 3.99Å; L118-I126 HydrophobicContact CG-CD1 4.45Å; L118-L241 HydrophobicContact CD1-CD1 4.09Å |
| 119 | T | 90.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -72 | 162.5 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | F117 V121 E122 K123 L359 | F117-T119 PolarHBondContact O-N 2.97Å; T119-V121 PolarHBondContact O-N 3.17Å; T119-V121 VanDerWaalsContact OG1-CG1 3.31Å; T119-V121 WeakPolarHBondContact OG1-CG1 3.32Å; T119-E122 PolarHBondContact N-OE2 3.03Å; T119-E122 PolarHBondContact O-N 3.32Å; T119-E122 VanDerWaalsContact O-N 3.08Å; T119-E122 WeakPolarHBondContact OG1-CG 3.19Å; T119-E122 PolarHBondContact OG1-N 3.4Å; T119-E122 PolarHBondContact OG1-OE2 3.38Å; T119-K123 WeakPolarHBondContact O-CG 3.48Å; T119-K123 PolarHBondContact O-N 3.18Å; T119-L359 HydrophobicContact CG2-CD1 4.02Å |
| 120 | D | 91.5 | Very high | 91.5 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 44% | 0.444 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.9 | -39 | -179.9 | -173.1 | 58.7 | 0 | 0 | 0 | 112.3 | E122 K123 R124 | D120-E122 PolarHBondContact O-N 2.9Å; D120-K123 PolarHBondContact O-N 3.42Å; D120-R124 VanDerWaalsContact O-CG 3.31Å; D120-R124 WeakPolarHBondContact O-CG 3.42Å; D120-R124 PolarHBondContact O-N 3.24Å; D120-R124 IonicContact OD1-NE 3.86Å; D120-R124 IonicContact OD1-NH2 3.52Å; D120-R124 IonicContact OD2-CZ 2.7Å; D120-R124 VanDerWaalsContact OD2-CZ 3.22Å; D120-R124 IonicContact OD2-NE 3.58Å; D120-R124 PolarHBondContact OD2-NE 2.89Å; D120-R124 IonicContact OD2-NH2 3.23Å; D120-R124 PolarHBondContact OD2-NH2 2.84Å |
| 121 | V | 92.4 | Very high | 92 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -36 | 177.4 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | T119 R124 W125 F310 P356 S357 L359 | T119-V121 PolarHBondContact O-N 3.17Å; T119-V121 VanDerWaalsContact OG1-CG1 3.31Å; T119-V121 WeakPolarHBondContact OG1-CG1 3.32Å; V121-R124 PolarHBondContact O-N 3.45Å; V121-W125 WeakPolarHBondContact O-CB 3.47Å; V121-W125 PolarHBondContact O-N 3.21Å; V121-F310 HydrophobicContact CG2-CE1 4.33Å; V121-F310 HydrophobicContact CG2-CZ 4.04Å; V121-P356 HydrophobicContact CB-CB 4.26Å; V121-P356 HydrophobicContact CG1-CB 4.01Å; V121-P356 HydrophobicContact CG2-CB 4.47Å; V121-S357 WeakPolarHBondContact CG2-OG 3.36Å; V121-L359 HydrophobicContact CG1-CD1 4.1Å |
| 122 | E | 93.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.9 | -39.6 | 174.4 | -68.9 | 174.9 | 123.4 | 0 | 0 | 111.9 | L118 T119 D120 R124 W125 I126 R400 | L118-E122 WeakPolarHBondContact CA-OE2 3.44Å; L118-E122 HydrophobicContact CB-CB 4.44Å; L118-E122 HydrophobicContact CD2-CB 4.08Å; T119-E122 PolarHBondContact N-OE2 3.03Å; T119-E122 PolarHBondContact O-N 3.32Å; T119-E122 VanDerWaalsContact O-N 3.08Å; T119-E122 WeakPolarHBondContact OG1-CG 3.19Å; T119-E122 PolarHBondContact OG1-N 3.4Å; T119-E122 PolarHBondContact OG1-OE2 3.38Å; D120-E122 PolarHBondContact O-N 2.9Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.74Å; E122-W125 WeakPolarHBondContact O-CB 3.28Å; E122-W125 PolarHBondContact O-N 3.27Å; E122-W125 VanDerWaalsContact O-N 3.15Å; E122-I126 WeakPolarHBondContact O-CG1 3.41Å; E122-I126 PolarHBondContact O-N 3.25Å; E122-R400 IonicContact OE1-CZ 3.5Å; E122-R400 IonicContact OE1-NH1 3.32Å; E122-R400 PolarHBondContact OE1-NH1 3.35Å; E122-R400 IonicContact OE1-NH2 3.42Å; E122-R400 IonicContact OE2-CZ 3.76Å; E122-R400 IonicContact OE2-NH1 2.63Å; E122-R400 PolarHBondContact OE2-NH1 3.2Å; E122-R400 IonicContact OE2-NH2 3.09Å; E122-R400 PolarHBondContact OE2-NH2 3.11Å |
| 123 | K | 94.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 173.2 | -66.5 | -179.1 | 178.8 | -168 | 0 | 110.3 | L118 T119 D120 W125 I126 A127 L241 F242 D244 | L118-K123 HydrophobicContact CB-CG 3.88Å; L118-K123 WeakPolarHBondContact O-CE 3.12Å; T119-K123 WeakPolarHBondContact O-CG 3.48Å; T119-K123 PolarHBondContact O-N 3.18Å; D120-K123 PolarHBondContact O-N 3.42Å; K123-W125 PolarHBondContact O-N 3.48Å; K123-I126 PolarHBondContact O-N 3.47Å; K123-A127 WeakPolarHBondContact O-CB 3.47Å; K123-A127 PolarHBondContact O-N 3.4Å; K123-L241 HydrophobicContact CB-CD1 4.15Å; K123-L241 HydrophobicContact CB-CD2 4.39Å; K123-L241 HydrophobicContact CB-CG 4.09Å; K123-L241 HydrophobicContact CD-CD1 4.43Å; K123-L241 WeakPolarHBondContact CD-O 3.44Å; K123-L241 WeakPolarHBondContact CE-O 3.24Å; K123-L241 HydrophobicContact CG-CD1 3.83Å; K123-L241 HydrophobicContact CG-CG 4.21Å; K123-L241 PolarHBondContact NZ-O 2.84Å; K123-F242 HydrophobicContact CB-CD1 4.02Å; K123-F242 HydrophobicContact CB-CE1 3.48Å; K123-F242 VanDerWaalsContact CB-CE1 3.48Å; K123-F242 HydrophobicContact CB-CZ 3.77Å; K123-F242 HydrophobicContact CD-CD1 4.04Å; K123-F242 HydrophobicContact CD-CE1 4.33Å; K123-D244 IonicContact NZ-OD1 3.65Å; K123-D244 PolarHBondContact NZ-OD1 3.12Å |
| 124 | R | 96 | Very high | 93.4 | Very high | 32 Ų | 32 | 32 Ų | 32 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 173.1 | -69.2 | 169.8 | -166.7 | -78.3 | -9.1 | 112.3 | D120 V121 E122 A127 Y128 F242 V305 F306 F310 | D120-R124 VanDerWaalsContact O-CG 3.31Å; D120-R124 WeakPolarHBondContact O-CG 3.42Å; D120-R124 PolarHBondContact O-N 3.24Å; D120-R124 IonicContact OD1-NE 3.86Å; D120-R124 IonicContact OD1-NH2 3.52Å; D120-R124 IonicContact OD2-CZ 2.7Å; D120-R124 VanDerWaalsContact OD2-CZ 3.22Å; D120-R124 IonicContact OD2-NE 3.58Å; D120-R124 PolarHBondContact OD2-NE 2.89Å; D120-R124 IonicContact OD2-NH2 3.23Å; D120-R124 PolarHBondContact OD2-NH2 2.84Å; V121-R124 PolarHBondContact O-N 3.45Å; E122-R124 VanDerWaalsContact C-N 3.31Å; E122-R124 PolarHBondContact O-N 2.74Å; R124-A127 PolarHBondContact O-N 3.41Å; R124-Y128 VanDerWaalsContact O-CB 3.29Å; R124-Y128 WeakPolarHBondContact O-CB 3.44Å; R124-Y128 PolarHBondContact O-N 2.92Å; R124-F242 HydrophobicContact CG-CE1 4.12Å; R124-F242 HydrophobicContact CG-CZ 3.95Å; R124-V305 WeakPolarHBondContact CD-O 3.31Å; R124-V305 PolarHBondContact NH1-O 2.89Å; R124-F306 WeakPolarHBondContact O-CE1 3.38Å; R124-F310 HydrophobicContact CB-CE2 4.01Å; R124-F310 HydrophobicContact CB-CZ 4.38Å |
| 125 | W | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 178 | 179.9 | -120.8 | 0 | 0 | 0 | 112.4 | V121 E122 K123 Y128 Q129 A158 W159 F310 L314 W315 L318 T360 | V121-W125 WeakPolarHBondContact O-CB 3.47Å; V121-W125 PolarHBondContact O-N 3.21Å; E122-W125 WeakPolarHBondContact O-CB 3.28Å; E122-W125 PolarHBondContact O-N 3.27Å; E122-W125 VanDerWaalsContact O-N 3.15Å; K123-W125 PolarHBondContact O-N 3.48Å; W125-Y128 HydrophobicContact CE3-CD1 4.27Å; W125-Y128 HydrophobicContact CH2-CD1 4.46Å; W125-Y128 AromaticContact CZ3-CD1 3.8Å; W125-Y128 HydrophobicContact CZ3-CD1 3.8Å; W125-Y128 HydrophobicContact CZ3-CE1 4.24Å; W125-Y128 PolarHBondContact O-N 2.97Å; W125-Q129 VanDerWaalsContact CD1-NE2 3.32Å; W125-Q129 HydrophobicContact CD2-CG 4.47Å; W125-Q129 VanDerWaalsContact CE2-NE2 3.34Å; W125-Q129 HydrophobicContact CH2-CG 4.34Å; W125-Q129 HydrophobicContact CZ2-CG 4.02Å; W125-Q129 WeakPolarHBondContact O-CG 3.24Å; W125-Q129 PolarHBondContact O-N 3.32Å; W125-Q129 VanDerWaalsContact O-N 3.07Å; W125-A158 PolarHBondContact NE1-O 3.38Å; W125-W159 HydrophobicContact CZ2-CE3 4.43Å; W125-W159 HydrophobicContact CZ2-CZ3 4.06Å; W125-F310 HydrophobicContact CB-CE2 4.23Å; W125-F310 HydrophobicContact CB-CZ 4Å; W125-F310 HydrophobicContact CE3-CB 4.5Å; W125-F310 AromaticContact CE3-CD1 3.93Å; W125-F310 HydrophobicContact CE3-CD1 3.93Å; W125-F310 AromaticContact CE3-CD2 3.84Å; W125-F310 HydrophobicContact CE3-CD2 3.84Å; W125-F310 HydrophobicContact CE3-CE1 4Å; W125-F310 AromaticContact CE3-CE2 3.92Å; W125-F310 HydrophobicContact CE3-CE2 3.92Å; W125-F310 AromaticContact CE3-CG 3.85Å; W125-F310 HydrophobicContact CE3-CG 3.85Å; W125-F310 HydrophobicContact CE3-CZ 4Å; W125-F310 HydrophobicContact CZ3-CB 4.16Å; W125-F310 HydrophobicContact CZ3-CD1 4.21Å; W125-F310 HydrophobicContact CZ3-CD2 4.29Å; W125-F310 AromaticContact CZ3-CG 3.99Å; W125-F310 HydrophobicContact CZ3-CG 3.99Å; W125-L314 HydrophobicContact CD2-CD2 4.06Å; W125-L314 HydrophobicContact CE3-CD2 3.63Å; W125-L314 HydrophobicContact CE3-CG 4.38Å; W125-L314 HydrophobicContact CH2-CD2 4.08Å; W125-L314 HydrophobicContact CH2-CG 3.92Å; W125-L314 HydrophobicContact CZ2-CD2 4.43Å; W125-L314 HydrophobicContact CZ2-CG 4.32Å; W125-L314 HydrophobicContact CZ3-CB 4.44Å; W125-L314 HydrophobicContact CZ3-CD2 3.64Å; W125-L314 HydrophobicContact CZ3-CG 3.93Å; W125-W315 HydrophobicContact CH2-CB 3.88Å; W125-W315 HydrophobicContact CH2-CG 4.37Å; W125-W315 HydrophobicContact CZ3-CB 4.34Å; W125-L318 HydrophobicContact CH2-CD1 4.5Å; W125-L318 HydrophobicContact CZ2-CD1 3.66Å; W125-T360 HydrophobicContact CB-CG2 4.01Å; W125-T360 HydrophobicContact CD2-CG2 4.16Å; W125-T360 HydrophobicContact CG-CG2 3.67Å |
| 126 | I | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 173.7 | -67.9 | 161.4 | 0 | 0 | 0 | 110.1 | L108 L118 E122 K123 Y128 Q129 L130 I154 T160 L241 | L108-I126 HydrophobicContact CD1-CD1 4.39Å; L108-I126 HydrophobicContact CD1-CG2 4.45Å; L108-I126 HydrophobicContact CD2-CG2 4.42Å; L118-I126 HydrophobicContact CD1-CD1 3.62Å; L118-I126 HydrophobicContact CD2-CD1 3.99Å; L118-I126 HydrophobicContact CG-CD1 4.45Å; E122-I126 WeakPolarHBondContact O-CG1 3.41Å; E122-I126 PolarHBondContact O-N 3.25Å; K123-I126 PolarHBondContact O-N 3.47Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; I126-Y128 PolarHBondContact O-N 3.43Å; I126-Q129 PolarHBondContact O-N 2.89Å; I126-L130 HydrophobicContact CG2-CD1 4.05Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 2.97Å; I126-L130 PolarHBondContact O-N 2.79Å; I126-I154 HydrophobicContact CD1-CD1 3.76Å; I126-I154 HydrophobicContact CG1-CD1 4.26Å; I126-T160 HydrophobicContact CG2-CG2 4.16Å; I126-L241 HydrophobicContact CB-CD2 4.3Å; I126-L241 HydrophobicContact CG2-CD2 4.06Å |
| 127 | A | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K123 R124 L130 L131 L238 L241 F242 F306 | K123-A127 WeakPolarHBondContact O-CB 3.47Å; K123-A127 PolarHBondContact O-N 3.4Å; R124-A127 PolarHBondContact O-N 3.41Å; A127-L130 PolarHBondContact O-N 3.05Å; A127-L131 PolarHBondContact O-N 2.94Å; A127-L238 HydrophobicContact CB-CD1 4.4Å; A127-L238 HydrophobicContact CB-CD2 3.49Å; A127-L238 VanDerWaalsContact CB-CD2 3.49Å; A127-L241 HydrophobicContact CB-CD2 4.48Å; A127-F242 HydrophobicContact CB-CE2 4.12Å; A127-F242 HydrophobicContact CB-CZ 4.46Å; A127-F306 HydrophobicContact CB-CE1 3.98Å; A127-F306 HydrophobicContact CB-CZ 4.32Å |
| 128 | Y | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | 174.9 | -178.1 | -94 | 0 | 0 | 0 | 111.6 | R124 W125 I126 L130 L131 K132 L298 F306 F310 Y311 W315 | R124-Y128 VanDerWaalsContact O-CB 3.29Å; R124-Y128 WeakPolarHBondContact O-CB 3.44Å; R124-Y128 PolarHBondContact O-N 2.92Å; W125-Y128 HydrophobicContact CE3-CD1 4.27Å; W125-Y128 HydrophobicContact CH2-CD1 4.46Å; W125-Y128 AromaticContact CZ3-CD1 3.8Å; W125-Y128 HydrophobicContact CZ3-CD1 3.8Å; W125-Y128 HydrophobicContact CZ3-CE1 4.24Å; W125-Y128 PolarHBondContact O-N 2.97Å; I126-Y128 VanDerWaalsContact C-N 3.32Å; I126-Y128 PolarHBondContact O-N 3.43Å; Y128-L130 PolarHBondContact O-N 3.05Å; Y128-L131 PolarHBondContact O-N 2.92Å; Y128-K132 HydrophobicContact CD1-CG 4.29Å; Y128-K132 HydrophobicContact CE1-CG 3.92Å; Y128-K132 WeakPolarHBondContact O-CG 3.35Å; Y128-K132 PolarHBondContact O-N 3.35Å; Y128-K132 WeakPolarHBondContact OH-CE 3.48Å; Y128-L298 HydrophobicContact CD2-CD2 3.61Å; Y128-L298 HydrophobicContact CE2-CD2 3.58Å; Y128-L298 HydrophobicContact CG-CD2 4.41Å; Y128-F306 HydrophobicContact CD2-CB 4.09Å; Y128-F306 AromaticContact CD2-CD1 3.99Å; Y128-F306 HydrophobicContact CD2-CD1 3.99Å; Y128-F306 HydrophobicContact CD2-CD2 4.39Å; Y128-F306 AromaticContact CD2-CG 3.9Å; Y128-F306 HydrophobicContact CD2-CG 3.9Å; Y128-F306 HydrophobicContact CG-CD1 4.41Å; Y128-F310 HydrophobicContact CD1-CB 4.4Å; Y128-F310 HydrophobicContact CD1-CD2 4.47Å; Y128-F310 HydrophobicContact CD2-CB 4.21Å; Y128-F310 HydrophobicContact CD2-CD2 4.06Å; Y128-F310 HydrophobicContact CE1-CB 4.33Å; Y128-F310 HydrophobicContact CE2-CB 4.1Å; Y128-F310 HydrophobicContact CG-CB 4.36Å; Y128-F310 AromaticContact CG-CD2 3.9Å; Y128-F310 HydrophobicContact CG-CD2 3.9Å; Y128-Y311 HydrophobicContact CD2-CE2 4.36Å; Y128-Y311 AromaticContact CE2-CD1 3.96Å; Y128-Y311 HydrophobicContact CE2-CD1 3.96Å; Y128-Y311 HydrophobicContact CE2-CD2 4.03Å; Y128-Y311 AromaticContact CE2-CE1 3.65Å; Y128-Y311 HydrophobicContact CE2-CE1 3.65Å; Y128-Y311 AromaticContact CE2-CE2 3.68Å; Y128-Y311 HydrophobicContact CE2-CE2 3.68Å; Y128-Y311 HydrophobicContact CE2-CG 4.15Å; Y128-Y311 AromaticContact CE2-CZ 3.49Å; Y128-Y311 VanDerWaalsContact CE2-CZ 3.49Å; Y128-Y311 WeakPolarHBondContact OH-CD1 3.16Å; Y128-W315 HydrophobicContact CE1-CB 3.96Å; Y128-W315 AromaticContact CE1-CD1 3.75Å; Y128-W315 AromaticContact CE1-CG 3.96Å; Y128-W315 HydrophobicContact CE1-CG 3.96Å |
| 129 | Q | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67 | -33.5 | 178.6 | -72.7 | -177.4 | 86.4 | 0 | 0 | 113.1 | N83 W125 I126 K132 A133 A158 W159 T160 | N83-Q129 PolarHBondContact ND2-OE1 3.45Å; W125-Q129 VanDerWaalsContact CD1-NE2 3.32Å; W125-Q129 HydrophobicContact CD2-CG 4.47Å; W125-Q129 VanDerWaalsContact CE2-NE2 3.34Å; W125-Q129 HydrophobicContact CH2-CG 4.34Å; W125-Q129 HydrophobicContact CZ2-CG 4.02Å; W125-Q129 WeakPolarHBondContact O-CG 3.24Å; W125-Q129 PolarHBondContact O-N 3.32Å; W125-Q129 VanDerWaalsContact O-N 3.07Å; I126-Q129 PolarHBondContact O-N 2.89Å; Q129-K132 CarbonylContact O-C 3.53Å; Q129-K132 WeakPolarHBondContact O-CB 3.39Å; Q129-K132 PolarHBondContact O-N 3.08Å; Q129-A133 PolarHBondContact O-N 3.02Å; Q129-A158 PolarHBondContact NE2-O 2.85Å; Q129-A158 VanDerWaalsContact NE2-O 3.13Å; Q129-W159 VanDerWaalsContact OE1-CE3 3.27Å; Q129-T160 PolarHBondContact NE2-OG1 2.91Å |
| 130 | L | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.5 | -73.9 | 172.9 | 0 | 0 | 0 | 112.3 | I126 A127 Y128 K132 A133 L134 V152 T160 L234 V237 L238 | I126-L130 HydrophobicContact CG2-CD1 4.05Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 2.97Å; I126-L130 PolarHBondContact O-N 2.79Å; A127-L130 PolarHBondContact O-N 3.05Å; Y128-L130 PolarHBondContact O-N 3.05Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 3.28Å; L130-A133 WeakPolarHBondContact O-CB 3.13Å; L130-A133 PolarHBondContact O-N 3.34Å; L130-L134 PolarHBondContact O-N 3.35Å; L130-V152 HydrophobicContact CD1-CG1 4.35Å; L130-V152 HydrophobicContact CD1-CG2 4.33Å; L130-V152 HydrophobicContact CD2-CB 4.4Å; L130-V152 HydrophobicContact CD2-CG1 3.79Å; L130-V152 HydrophobicContact CD2-CG2 3.7Å; L130-V152 HydrophobicContact CG-CG1 4.48Å; L130-T160 HydrophobicContact CD2-CG2 3.76Å; L130-T160 HydrophobicContact CG-CG2 3.93Å; L130-L234 HydrophobicContact CB-CD1 3.65Å; L130-L234 HydrophobicContact CB-CD2 4.23Å; L130-L234 HydrophobicContact CD1-CD1 3.7Å; L130-L234 HydrophobicContact CG-CD1 4.16Å; L130-V237 HydrophobicContact CD1-CG1 4.21Å; L130-L238 HydrophobicContact CD1-CD2 4.2Å |
| 131 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 171.5 | -72.9 | 170.2 | 0 | 0 | 0 | 111.2 | A127 Y128 A133 L134 E135 L234 M279 M283 A294 C297 L298 F306 | A127-L131 PolarHBondContact O-N 2.94Å; Y128-L131 PolarHBondContact O-N 2.92Å; L131-A133 VanDerWaalsContact C-N 3.35Å; L131-L134 PolarHBondContact O-N 3.47Å; L131-E135 WeakPolarHBondContact O-CB 3.4Å; L131-E135 PolarHBondContact O-N 3.43Å; L131-L234 HydrophobicContact CD2-CD2 3.79Å; L131-L234 HydrophobicContact CG-CD2 4.23Å; L131-M279 HydrophobicContact CD1-SD 4.39Å; L131-M283 HydrophobicContact CD2-CE 4.12Å; L131-A294 HydrophobicContact CD2-CB 4.24Å; L131-A294 WeakPolarHBondContact O-CB 3.43Å; L131-C297 HydrophobicContact CD1-CB 4.04Å; L131-C297 HydrophobicContact CD2-CB 3.9Å; L131-L298 HydrophobicContact CB-CD1 4.15Å; L131-L298 HydrophobicContact CB-CD2 3.79Å; L131-L298 HydrophobicContact CB-CG 3.83Å; L131-L298 HydrophobicContact CD1-CD2 4.03Å; L131-L298 HydrophobicContact CD1-CG 4.31Å; L131-F306 HydrophobicContact CD1-CE2 3.6Å; L131-F306 HydrophobicContact CD1-CZ 3.57Å |
| 132 | K | 97.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 14% | 0.143 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 171.8 | -74.6 | -75.3 | 170.4 | -162.5 | 0 | 112.6 | Y128 Q129 L130 E135 Q136 L298 W315 | Y128-K132 HydrophobicContact CD1-CG 4.29Å; Y128-K132 HydrophobicContact CE1-CG 3.92Å; Y128-K132 WeakPolarHBondContact O-CG 3.35Å; Y128-K132 PolarHBondContact O-N 3.35Å; Y128-K132 WeakPolarHBondContact OH-CE 3.48Å; Q129-K132 CarbonylContact O-C 3.53Å; Q129-K132 WeakPolarHBondContact O-CB 3.39Å; Q129-K132 PolarHBondContact O-N 3.08Å; L130-K132 VanDerWaalsContact C-N 3.29Å; L130-K132 PolarHBondContact O-N 3.28Å; K132-E135 WeakPolarHBondContact CD-OE2 3.38Å; K132-E135 IonicContact NZ-OE2 3.92Å; K132-E135 PolarHBondContact NZ-OE2 3.45Å; K132-E135 PolarHBondContact O-N 3.18Å; K132-Q136 WeakPolarHBondContact O-CB 3.43Å; K132-Q136 VanDerWaalsContact O-CD 3.31Å; K132-Q136 WeakPolarHBondContact O-CG 3.1Å; K132-Q136 PolarHBondContact O-N 2.97Å; K132-Q136 PolarHBondContact O-NE2 3.24Å; K132-L298 HydrophobicContact CD-CD1 4Å; K132-L298 HydrophobicContact CG-CD1 4.21Å; K132-W315 HydrophobicContact CD-CZ2 4.33Å |
| 133 | A | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N83 Q129 L130 L131 Q136 C137 L162 | N83-A133 HydrophobicContact CB-CB 3.71Å; N83-A133 WeakPolarHBondContact O-CB 3.43Å; Q129-A133 PolarHBondContact O-N 3.02Å; L130-A133 WeakPolarHBondContact O-CB 3.13Å; L130-A133 PolarHBondContact O-N 3.34Å; L131-A133 VanDerWaalsContact C-N 3.35Å; A133-Q136 WeakPolarHBondContact O-CB 3.45Å; A133-Q136 PolarHBondContact O-N 3.42Å; A133-C137 PolarHBondContact O-N 3.18Å; A133-C137 PolarHBondContact O-SG 3.14Å; A133-L162 HydrophobicContact CB-CB 4.04Å; A133-L162 HydrophobicContact CB-CD2 4.46Å |
| 134 | L | 97.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 176.5 | -76.6 | -168.4 | 0 | 0 | 0 | 113.2 | L130 L131 Q136 C137 H138 I147 L162 D230 I231 L234 A294 | L130-L134 PolarHBondContact O-N 3.35Å; L131-L134 PolarHBondContact O-N 3.47Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 2.94Å; L134-C137 PolarHBondContact O-N 3.36Å; L134-H138 WeakPolarHBondContact O-CB 3.33Å; L134-H138 PolarHBondContact O-CD2 3.5Å; L134-H138 PolarHBondContact O-N 3.05Å; L134-I147 HydrophobicContact CD1-CD1 4.4Å; L134-I147 HydrophobicContact CD2-CD1 3.64Å; L134-I147 HydrophobicContact CG-CD1 4.4Å; L134-L162 HydrophobicContact CD2-CD2 4.37Å; L134-D230 HydrophobicContact CD2-CB 4.07Å; L134-I231 HydrophobicContact CD1-CD1 3.79Å; L134-L234 HydrophobicContact CD1-CB 3.91Å; L134-L234 HydrophobicContact CD1-CD2 3.47Å; L134-L234 VanDerWaalsContact CD1-CD2 3.47Å; L134-L234 HydrophobicContact CD1-CG 4.31Å; L134-L234 HydrophobicContact CG-CD2 4.12Å; L134-A294 HydrophobicContact CB-CB 3.62Å |
| 135 | E | 97.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 23.1 Ų | 23.1 | 19% | 0.192 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 171.4 | -177.2 | 176.1 | -124.7 | 0 | 0 | 110.4 | L131 K132 C137 H138 D139 A294 A295 | L131-E135 WeakPolarHBondContact O-CB 3.4Å; L131-E135 PolarHBondContact O-N 3.43Å; K132-E135 WeakPolarHBondContact CD-OE2 3.38Å; K132-E135 IonicContact NZ-OE2 3.92Å; K132-E135 PolarHBondContact NZ-OE2 3.45Å; K132-E135 PolarHBondContact O-N 3.18Å; E135-C137 VanDerWaalsContact C-N 3.34Å; E135-C137 PolarHBondContact O-N 2.92Å; E135-H138 PolarHBondContact O-N 2.97Å; E135-D139 WeakPolarHBondContact O-CB 3.39Å; E135-D139 VanDerWaalsContact O-CG 3.23Å; E135-D139 PolarHBondContact O-N 3.24Å; E135-A294 HydrophobicContact CB-CB 4.36Å; E135-A295 HydrophobicContact CG-CB 4.29Å; E135-A295 WeakPolarHBondContact OE1-CB 3.46Å |
| 136 | Q | 96.5 | Very high | 95 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 9% | 0.093 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -38.6 | 175.5 | -69.3 | 159.1 | 22.3 | 0 | 0 | 112.8 | N83 K132 A133 L134 N140 | N83-Q136 PolarHBondContact OD1-NE2 3.19Å; N83-Q136 VanDerWaalsContact OD1-NE2 3.14Å; K132-Q136 WeakPolarHBondContact O-CB 3.43Å; K132-Q136 VanDerWaalsContact O-CD 3.31Å; K132-Q136 WeakPolarHBondContact O-CG 3.1Å; K132-Q136 PolarHBondContact O-N 2.97Å; K132-Q136 PolarHBondContact O-NE2 3.24Å; A133-Q136 WeakPolarHBondContact O-CB 3.45Å; A133-Q136 PolarHBondContact O-N 3.42Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 2.94Å; Q136-N140 WeakPolarHBondContact O-CB 3.38Å; Q136-N140 PolarHBondContact O-N 3.3Å; Q136-N140 PolarHBondContact O-ND2 3.27Å |
| 137 | C | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 175.7 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | C84 A133 L134 E135 N140 D141 I142 | C84-C137 VanDerWaalsContact SG-SG 3.62Å; A133-C137 PolarHBondContact O-N 3.18Å; A133-C137 PolarHBondContact O-SG 3.14Å; L134-C137 PolarHBondContact O-N 3.36Å; E135-C137 VanDerWaalsContact C-N 3.34Å; E135-C137 PolarHBondContact O-N 2.92Å; C137-N140 CarbonylContact O-C 3.48Å; C137-N140 PolarHBondContact O-N 3.14Å; C137-D141 PolarHBondContact O-N 3.21Å; C137-D141 VanDerWaalsContact O-N 3.07Å; C137-I142 CarbonylContact C-O 3.52Å; C137-I142 WeakPolarHBondContact CB-O 3.4Å; C137-I142 PolarHBondContact O-N 2.88Å |
| 138 | H | 95.1 | Very high | 94.7 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 17% | 0.167 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | 179.2 | -66.1 | -176 | 0 | 0 | 0 | 111.5 | L134 E135 N140 D141 H227 | L134-H138 WeakPolarHBondContact O-CB 3.33Å; L134-H138 PolarHBondContact O-CD2 3.5Å; L134-H138 PolarHBondContact O-N 3.05Å; E135-H138 PolarHBondContact O-N 2.97Å; H138-N140 PolarHBondContact O-N 2.9Å; H138-D141 PolarHBondContact O-N 3.08Å; H138-H227 AromaticContact CD2-CG 3.75Å; H138-H227 AromaticContact CD2-ND1 3.35Å; H138-H227 PolarHBondContact CD2-ND1 3.08Å; H138-H227 VanDerWaalsContact CD2-ND1 3.35Å; H138-H227 AromaticContact NE2-ND1 3.94Å |
| 139 | D | 95 | Very high | 94.4 | Very high | 128 Ų | 128 | 24.1 Ų | 24.1 | 68% | 0.684 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -60.6 | -28.9 | 177.3 | -72.1 | -13.8 | 0 | 0 | 0 | 112.1 | E135 | E135-D139 WeakPolarHBondContact O-CB 3.39Å; E135-D139 VanDerWaalsContact O-CG 3.23Å; E135-D139 PolarHBondContact O-N 3.24Å |
| 140 | N | 93.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 25.7 Ų | 25.7 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3.9 | 176.3 | -75.3 | -73.7 | 0 | 0 | 0 | 114.1 | K77 L78 Q136 C137 H138 I142 | K77-N140 HydrophobicContact CB-CB 4.35Å; K77-N140 WeakPolarHBondContact CD-O 3.37Å; K77-N140 WeakPolarHBondContact CE-O 3.26Å; K77-N140 PolarHBondContact NZ-O 3.28Å; K77-N140 PolarHBondContact O-OD1 3.35Å; K77-N140 VanDerWaalsContact O-OD1 3.13Å; L78-N140 HydrophobicContact CD2-CB 4.06Å; Q136-N140 WeakPolarHBondContact O-CB 3.38Å; Q136-N140 PolarHBondContact O-N 3.3Å; Q136-N140 PolarHBondContact O-ND2 3.27Å; C137-N140 CarbonylContact O-C 3.48Å; C137-N140 PolarHBondContact O-N 3.14Å; H138-N140 PolarHBondContact O-N 2.9Å; N140-I142 HydrophobicContact CB-CD1 4.28Å; N140-I142 PolarHBondContact O-N 3.06Å |
| 141 | D | 90.9 | Very high | 93.7 | Very high | 113 Ų | 113 | 26 Ų | 26 | 60% | 0.604 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 54.3 | -175.5 | -167.6 | 41.6 | 0 | 0 | 0 | 112.4 | C137 H138 H227 | C137-D141 PolarHBondContact O-N 3.21Å; C137-D141 VanDerWaalsContact O-N 3.07Å; H138-D141 PolarHBondContact O-N 3.08Å; D141-H227 IonicContact OD1-CE1 3.84Å; D141-H227 IonicContact OD1-NE2 2.69Å; D141-H227 PolarHBondContact OD1-NE2 3.01Å |
| 142 | I | 91.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 26 Ų | 26 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | trans | -123.7 | 128.6 | 175.2 | -69.6 | 170 | 0 | 0 | 0 | 109.1 | I74 K77 L78 C137 N140 F165 | I74-I142 HydrophobicContact CG1-CD1 4.45Å; I74-I142 HydrophobicContact CG2-CD1 4.36Å; K77-I142 HydrophobicContact CB-CD1 3.5Å; K77-I142 VanDerWaalsContact CB-CD1 3.5Å; K77-I142 HydrophobicContact CD-CD1 3.63Å; K77-I142 HydrophobicContact CD-CG1 3.96Å; K77-I142 HydrophobicContact CG-CD1 4.23Å; L78-I142 HydrophobicContact CD1-CD1 3.92Å; L78-I142 HydrophobicContact CD1-CG2 4.3Å; L78-I142 HydrophobicContact CD2-CD1 3.95Å; L78-I142 HydrophobicContact CG-CD1 3.58Å; C137-I142 CarbonylContact C-O 3.52Å; C137-I142 WeakPolarHBondContact CB-O 3.4Å; C137-I142 PolarHBondContact O-N 2.88Å; N140-I142 HydrophobicContact CB-CD1 4.28Å; N140-I142 PolarHBondContact O-N 3.06Å; I142-F165 HydrophobicContact CG2-CD1 4.07Å; I142-F165 HydrophobicContact CG2-CE1 4.15Å | ||
| 143 | C | 91.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | trans | -97.6 | 141.4 | 166 | -57.2 | 0 | 0 | 0 | 0 | 110 | L225 K226 H227 D230 | C143-L225 HydrophobicContact CB-CB 3.78Å; C143-K226 VanDerWaalsContact SG-C 3.58Å; C143-H227 PolarHBondContact SG-ND1 3.36Å; C143-H227 VanDerWaalsContact SG-ND1 3.45Å; C143-D230 VanDerWaalsContact CA-OD2 3.26Å; C143-D230 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 144 | H | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -81.7 | -50.1 | 176.5 | -175.1 | -64.6 | 0 | 0 | 0 | 112.4 | D146 I147 L162 S163 D164 F165 A166 D230 | H144-D146 PolarHBondContact CE1-O 3.13Å; H144-D146 PolarHBondContact ND1-N 3.07Å; H144-D146 VanDerWaalsContact ND1-N 3.17Å; H144-D146 PolarHBondContact O-N 3.05Å; H144-I147 HydrophobicContact CB-CD1 4.06Å; H144-I147 HydrophobicContact CB-CG1 3.8Å; H144-L162 HydrophobicContact CB-CD2 4.43Å; H144-L162 VanDerWaalsContact CD2-CG 3.49Å; H144-L162 WeakPolarHBondContact CD2-CG 3.46Å; H144-S163 PolarHBondContact NE2-O 2.93Å; H144-D164 PolarHBondContact CE1-O 2.73Å; H144-F165 HydrophobicContact CB-CD1 4.15Å; H144-F165 HydrophobicContact CB-CE1 4.27Å; H144-F165 AromaticContact CD2-CD1 3.68Å; H144-F165 AromaticContact CD2-CE1 3.77Å; H144-F165 AromaticContact CD2-CG 3.92Å; H144-A166 PolarHBondContact O-N 2.97Å; H144-A166 VanDerWaalsContact O-N 3.14Å; H144-D230 PolarHBondContact N-OD2 3.31Å | ||
| 145 | G | 89.1 | Confident | 93.1 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 7% | 0.072 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 76.4 | 7 | 174 | 0 | 0 | 0 | 0 | 0 | 117.1 | D230 | G145-D230 WeakPolarHBondContact CA-OD1 3.31Å; G145-D230 PolarHBondContact N-OD1 3.25Å |
| 146 | D | 90.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | trans | -158.8 | 41.9 | -177.9 | -168.2 | 58.7 | 0 | 0 | 0 | 111.7 | H144 K148 N151 A166 K169 F185 | H144-D146 PolarHBondContact CE1-O 3.13Å; H144-D146 PolarHBondContact ND1-N 3.07Å; H144-D146 VanDerWaalsContact ND1-N 3.17Å; H144-D146 PolarHBondContact O-N 3.05Å; D146-K148 PolarHBondContact O-N 2.7Å; D146-N151 PolarHBondContact O-ND2 2.73Å; D146-N151 PolarHBondContact OD2-ND2 3.46Å; D146-A166 HydrophobicContact CB-CB 3.49Å; D146-A166 VanDerWaalsContact CB-CB 3.49Å; D146-K169 HydrophobicContact CB-CD 4.4Å; D146-K169 IonicContact OD1-NZ 3.26Å; D146-K169 PolarHBondContact OD1-NZ 3.48Å; D146-K169 WeakPolarHBondContact OD2-CE 3.4Å; D146-K169 IonicContact OD2-NZ 3.84Å; D146-K169 PolarHBondContact OD2-NZ 3.47Å; D146-F185 WeakPolarHBondContact OD1-CD1 3.45Å | ||
| 147 | I | 94.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | trans | -73.5 | 125.7 | -179.3 | -58.7 | 177.3 | 0 | 0 | 0 | 109.1 | L134 H144 L162 Y194 D230 V237 | L134-I147 HydrophobicContact CD1-CD1 4.4Å; L134-I147 HydrophobicContact CD2-CD1 3.64Å; L134-I147 HydrophobicContact CG-CD1 4.4Å; H144-I147 HydrophobicContact CB-CD1 4.06Å; H144-I147 HydrophobicContact CB-CG1 3.8Å; I147-L162 HydrophobicContact CD1-CD2 4.16Å; I147-L162 HydrophobicContact CG1-CD1 4.28Å; I147-L162 HydrophobicContact CG1-CD2 4.35Å; I147-L162 HydrophobicContact CG2-CD1 4.37Å; I147-Y194 VanDerWaalsContact O-CB 3.31Å; I147-Y194 WeakPolarHBondContact O-CB 3.25Å; I147-D230 HydrophobicContact CD1-CB 3.71Å; I147-V237 HydrophobicContact CG2-CG2 4.11Å | ||
| 148 | K | 91.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 28 Ų | 28 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | -161.1 | 164.3 | -179.6 | 58.6 | -174.8 | -175.8 | 166.8 | 0 | 110 | D146 E150 N151 V152 Y194 | D146-K148 PolarHBondContact O-N 2.7Å; K148-E150 WeakPolarHBondContact CB-OE2 3.49Å; K148-E150 VanDerWaalsContact CD-OE2 3.24Å; K148-E150 WeakPolarHBondContact CD-OE2 3.39Å; K148-E150 VanDerWaalsContact CG-OE2 3.24Å; K148-E150 WeakPolarHBondContact CG-OE2 3.33Å; K148-E150 PolarHBondContact O-N 3.34Å; K148-E150 VanDerWaalsContact O-N 3.17Å; K148-N151 HydrophobicContact CG-CB 4.1Å; K148-N151 PolarHBondContact O-N 2.91Å; K148-V152 PolarHBondContact O-N 3.21Å; K148-Y194 HydrophobicContact CB-CD1 4.36Å; K148-Y194 HydrophobicContact CB-CD2 3.5Å; K148-Y194 HydrophobicContact CB-CE2 3.7Å; K148-Y194 HydrophobicContact CB-CG 3.88Å | ||
| 149 | T | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.9 | -175.2 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | L108 Y109 L112 R190 Y194 V237 E240 | L108-T149 HydrophobicContact CD2-CG2 4.07Å; L108-T149 HydrophobicContact CG-CG2 4.28Å; L108-T149 PolarHBondContact N-O 3.2Å; Y109-T149 PolarHBondContact N-O 3.01Å; L112-T149 HydrophobicContact CD1-CG2 4.49Å; T149-R190 PolarHBondContact OG1-NH1 3.12Å; T149-Y194 PolarHBondContact OG1-OH 3.27Å; T149-V237 HydrophobicContact CG2-CG1 4Å; T149-V237 HydrophobicContact CG2-CG2 4.41Å; T149-E240 HydrophobicContact CG2-CG 4.37Å; T149-E240 VanDerWaalsContact CG2-OE2 3.26Å; T149-E240 WeakPolarHBondContact CG2-OE2 3.4Å; T149-E240 PolarHBondContact OG1-OE2 3.34Å |
| 150 | E | 88.6 | Confident | 92.3 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 16% | 0.159 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24.3 | 176 | -54.1 | 97.4 | 143.3 | 0 | 0 | 113.8 | Y109 K148 S188 | Y109-E150 HydrophobicContact CG-CG 4.45Å; K148-E150 WeakPolarHBondContact CB-OE2 3.49Å; K148-E150 VanDerWaalsContact CD-OE2 3.24Å; K148-E150 WeakPolarHBondContact CD-OE2 3.39Å; K148-E150 VanDerWaalsContact CG-OE2 3.24Å; K148-E150 WeakPolarHBondContact CG-OE2 3.33Å; K148-E150 PolarHBondContact O-N 3.34Å; K148-E150 VanDerWaalsContact O-N 3.17Å; E150-S188 WeakPolarHBondContact OE1-CB 3.44Å; E150-S188 PolarHBondContact OE1-OG 3.17Å |
| 151 | N | 91.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.053 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.9 | -179.4 | -71.9 | -7.4 | 0 | 0 | 0 | 112.5 | D146 K148 S163 | D146-N151 PolarHBondContact O-ND2 2.73Å; D146-N151 PolarHBondContact OD2-ND2 3.46Å; K148-N151 HydrophobicContact CG-CB 4.1Å; K148-N151 PolarHBondContact O-N 2.91Å; N151-S163 PolarHBondContact O-N 2.82Å; N151-S163 PolarHBondContact O-OG 3.07Å |
| 152 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.8 | 169.2 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | S107 L108 L130 K148 T160 L162 V237 | S107-V152 CarbonylContact C-O 3.59Å; S107-V152 VanDerWaalsContact CA-O 3.3Å; S107-V152 WeakPolarHBondContact CA-O 3.42Å; L108-V152 HydrophobicContact CB-CB 3.81Å; L108-V152 HydrophobicContact CB-CG1 3.76Å; L108-V152 HydrophobicContact CD2-CB 4.28Å; L108-V152 HydrophobicContact CD2-CG1 4.07Å; L108-V152 PolarHBondContact N-O 3.4Å; L130-V152 HydrophobicContact CD1-CG1 4.35Å; L130-V152 HydrophobicContact CD1-CG2 4.33Å; L130-V152 HydrophobicContact CD2-CB 4.4Å; L130-V152 HydrophobicContact CD2-CG1 3.79Å; L130-V152 HydrophobicContact CD2-CG2 3.7Å; L130-V152 HydrophobicContact CG-CG1 4.48Å; K148-V152 PolarHBondContact O-N 3.21Å; V152-T160 HydrophobicContact CG1-CG2 3.63Å; V152-L162 HydrophobicContact CG2-CD1 4.32Å; V152-V237 HydrophobicContact CG2-CG1 4.46Å |
| 153 | L | 96.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 13 Ų | 13 | 5% | 0.052 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142.7 | 179.9 | -52.3 | -179.3 | 0 | 0 | 0 | 110.6 | L85 I104 Y106 L161 S163 | L85-L153 HydrophobicContact CD2-CD1 3.96Å; I104-L153 HydrophobicContact CB-CB 3.92Å; I104-L153 HydrophobicContact CB-CD1 4Å; I104-L153 HydrophobicContact CG1-CB 4.22Å; I104-L153 HydrophobicContact CG1-CD1 3.86Å; I104-L153 HydrophobicContact CG2-CB 3.82Å; Y106-L153 CarbonylContact O-C 3.56Å; Y106-L153 WeakPolarHBondContact O-CA 3.38Å; L153-L161 HydrophobicContact CB-CB 4.42Å; L153-L161 PolarHBondContact N-O 3.32Å; L153-L161 PolarHBondContact O-N 3.15Å; L153-S163 VanDerWaalsContact CD1-OG 3.31Å; L153-S163 WeakPolarHBondContact CD1-OG 3.38Å; L153-S163 WeakPolarHBondContact CG-OG 3.45Å |
| 154 | I | 94.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.6 | -178.4 | -59.9 | 176.1 | 0 | 0 | 0 | 108.8 | I104 Y106 L108 R111 I126 | I104-I154 VanDerWaalsContact CG2-C 3.48Å; I104-I154 WeakPolarHBondContact CG2-O 3.35Å; Y106-I154 PolarHBondContact N-O 2.83Å; Y106-I154 PolarHBondContact O-N 3.45Å; L108-I154 HydrophobicContact CB-CD1 3.98Å; L108-I154 HydrophobicContact CD1-CD1 3.6Å; L108-I154 HydrophobicContact CG-CD1 4.37Å; R111-I154 HydrophobicContact CB-CD1 4.15Å; R111-I154 HydrophobicContact CG-CD1 4.13Å; I126-I154 HydrophobicContact CD1-CD1 3.76Å; I126-I154 HydrophobicContact CG1-CD1 4.26Å |
| 155 | T | 91.9 | Very high | 92.4 | Very high | 25 Ų | 25 | 12.7 Ų | 12.7 | 15% | 0.153 | 8% | 0.076 | C | C | . | . | trans | -71.6 | 164.9 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | I104 S157 A158 W159 L161 | I104-T155 HydrophobicContact CD1-CG2 4.27Å; I104-T155 HydrophobicContact CG2-CG2 4.04Å; T155-S157 PolarHBondContact O-N 3.28Å; T155-S157 PolarHBondContact OG1-OG 3.48Å; T155-A158 PolarHBondContact O-N 3.03Å; T155-W159 HydrophobicContact CG2-CB 4.2Å; T155-W159 PolarHBondContact N-O 3.03Å; T155-W159 WeakPolarHBondContact OG1-CA 3.37Å; T155-W159 WeakPolarHBondContact OG1-CB 3.48Å; T155-W159 PolarHBondContact OG1-N 3.11Å; T155-W159 PolarHBondContact OG1-O 3.27Å; T155-L161 HydrophobicContact CG2-CD1 4.13Å | ||
| 156 | S | 88.7 | Confident | 91.8 | Very high | 64 Ų | 64 | 12.5 Ų | 12.5 | 45% | 0.448 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.3 | 173.6 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | A158 | S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.9Å |
| 157 | S | 90 | Very high | 90.9 | Very high | 22 Ų | 22 | 13.8 Ų | 13.8 | 15% | 0.154 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 14.8 | 175 | 65.4 | 0 | 0 | 0 | 0 | 113.7 | T155 W159 | T155-S157 PolarHBondContact O-N 3.28Å; T155-S157 PolarHBondContact OG1-OG 3.48Å; S157-W159 PolarHBondContact O-N 2.89Å |
| 158 | A | 91 | Very high | 89.9 | Confident | 13 Ų | 13 | 15.8 Ų | 15.8 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | trans | 60 | 22.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W125 Q129 T155 S156 | W125-A158 PolarHBondContact NE1-O 3.38Å; Q129-A158 PolarHBondContact NE2-O 2.85Å; Q129-A158 VanDerWaalsContact NE2-O 3.13Å; T155-A158 PolarHBondContact O-N 3.03Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.9Å | ||
| 159 | W | 95.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 16.3 Ų | 16.3 | 3% | 0.03 | 9% | 0.092 | C | C | . | . | trans | -77.1 | 133.6 | 167.6 | -164.5 | -99.9 | 0 | 0 | 0 | 110.4 | P82 N83 W125 Q129 T155 S157 W315 L318 K319 V322 | P82-W159 HydrophobicContact CB-CZ2 4.14Å; P82-W159 PolarHBondContact O-NE1 3.01Å; N83-W159 WeakPolarHBondContact ND2-CZ2 3.33Å; W125-W159 HydrophobicContact CZ2-CE3 4.43Å; W125-W159 HydrophobicContact CZ2-CZ3 4.06Å; Q129-W159 VanDerWaalsContact OE1-CE3 3.27Å; T155-W159 HydrophobicContact CG2-CB 4.2Å; T155-W159 PolarHBondContact N-O 3.03Å; T155-W159 WeakPolarHBondContact OG1-CA 3.37Å; T155-W159 WeakPolarHBondContact OG1-CB 3.48Å; T155-W159 PolarHBondContact OG1-N 3.11Å; T155-W159 PolarHBondContact OG1-O 3.27Å; S157-W159 PolarHBondContact O-N 2.89Å; W159-W315 AromaticContact CH2-NE1 3.88Å; W159-L318 HydrophobicContact CE3-CB 4.08Å; W159-L318 HydrophobicContact CZ3-CB 3.69Å; W159-K319 HydrophobicContact CH2-CB 3.86Å; W159-K319 HydrophobicContact CZ2-CB 4.48Å; W159-V322 HydrophobicContact CD2-CG2 4.34Å; W159-V322 HydrophobicContact CG-CG1 4.35Å; W159-V322 HydrophobicContact CZ2-CG2 4.13Å | ||
| 160 | T | 96.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131 | -173.6 | -53 | 0 | 0 | 0 | 0 | 111 | N83 I126 Q129 L130 V152 | N83-T160 PolarHBondContact ND2-O 3.35Å; N83-T160 VanDerWaalsContact ND2-O 3.1Å; I126-T160 HydrophobicContact CG2-CG2 4.16Å; Q129-T160 PolarHBondContact NE2-OG1 2.91Å; L130-T160 HydrophobicContact CD2-CG2 3.76Å; L130-T160 HydrophobicContact CG-CG2 3.93Å; V152-T160 HydrophobicContact CG1-CG2 3.63Å |
| 161 | L | 96.2 | Very high | 88 | Confident | 16 Ų | 16 | 16.7 Ų | 16.7 | 8% | 0.084 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.2 | -177.1 | -65.9 | 168.1 | 0 | 0 | 0 | 110.3 | P82 N83 L85 I104 L153 T155 | P82-L161 VanDerWaalsContact O-CD2 3.29Å; P82-L161 WeakPolarHBondContact O-CD2 3.34Å; N83-L161 WeakPolarHBondContact O-CA 3.16Å; L85-L161 HydrophobicContact CB-CB 4.12Å; L85-L161 HydrophobicContact CB-CD1 4.49Å; L85-L161 HydrophobicContact CD2-CD1 4.33Å; I104-L161 HydrophobicContact CD1-CD1 3.74Å; I104-L161 HydrophobicContact CG1-CD1 4.07Å; L153-L161 HydrophobicContact CB-CB 4.42Å; L153-L161 PolarHBondContact N-O 3.32Å; L153-L161 PolarHBondContact O-N 3.15Å; T155-L161 HydrophobicContact CG2-CD1 4.13Å |
| 162 | L | 96.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121 | 170.8 | -175.4 | 61.1 | 0 | 0 | 0 | 109.6 | N83 L85 A133 L134 H144 I147 V152 F165 | N83-L162 PolarHBondContact O-N 3.33Å; L85-L162 PolarHBondContact N-O 2.75Å; A133-L162 HydrophobicContact CB-CB 4.04Å; A133-L162 HydrophobicContact CB-CD2 4.46Å; L134-L162 HydrophobicContact CD2-CD2 4.37Å; H144-L162 HydrophobicContact CB-CD2 4.43Å; H144-L162 VanDerWaalsContact CD2-CG 3.49Å; H144-L162 WeakPolarHBondContact CD2-CG 3.46Å; I147-L162 HydrophobicContact CD1-CD2 4.16Å; I147-L162 HydrophobicContact CG1-CD1 4.28Å; I147-L162 HydrophobicContact CG1-CD2 4.35Å; I147-L162 HydrophobicContact CG2-CD1 4.37Å; V152-L162 HydrophobicContact CG2-CD1 4.32Å; L162-F165 WeakPolarHBondContact O-CE2 3.48Å |
| 163 | S | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 171.6 | -173.4 | 77.7 | 0 | 0 | 0 | 0 | 112.2 | H144 N151 L153 | H144-S163 PolarHBondContact NE2-O 2.93Å; N151-S163 PolarHBondContact O-N 2.82Å; N151-S163 PolarHBondContact O-OG 3.07Å; L153-S163 VanDerWaalsContact CD1-OG 3.31Å; L153-S163 WeakPolarHBondContact CD1-OG 3.38Å; L153-S163 WeakPolarHBondContact CG-OG 3.45Å |
| 164 | D | 88 | Confident | 86.1 | Confident | 15 Ų | 15 | 17 Ų | 17 | 8% | 0.08 | 10% | 0.1 | C | C | . | . | trans | 65.1 | 43.6 | 171.7 | -62.1 | -29.5 | 0 | 0 | 0 | 114.5 | K53 F87 R101 H144 A166 | K53-D164 WeakPolarHBondContact CE-OD1 3.22Å; K53-D164 IonicContact NZ-OD1 3.7Å; K53-D164 PolarHBondContact NZ-OD1 3.22Å; K53-D164 IonicContact NZ-OD2 2.66Å; K53-D164 PolarHBondContact NZ-OD2 3.41Å; F87-D164 VanDerWaalsContact CZ-OD1 3.25Å; F87-D164 WeakPolarHBondContact CZ-OD1 3.47Å; R101-D164 IonicContact CZ-OD1 2.9Å; R101-D164 IonicContact NE-OD1 2.69Å; R101-D164 PolarHBondContact NE-OD1 3.24Å; R101-D164 IonicContact NH2-OD1 3.73Å; R101-D164 IonicContact NH2-OD2 2.76Å; H144-D164 PolarHBondContact CE1-O 2.73Å; D164-A166 PolarHBondContact O-N 3.17Å | ||
| 165 | F | 88.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | trans | -49.4 | 121.4 | 171.5 | -68.4 | -98.1 | 0 | 0 | 0 | 111.9 | I74 L78 C84 P86 I142 H144 L162 N167 | I74-F165 HydrophobicContact CD1-CB 4.45Å; I74-F165 HydrophobicContact CG2-CB 4.33Å; I74-F165 HydrophobicContact CG2-CD1 4.33Å; I74-F165 HydrophobicContact CG2-CG 4.14Å; L78-F165 HydrophobicContact CD1-CD1 4.26Å; L78-F165 HydrophobicContact CD1-CE1 3.55Å; L78-F165 HydrophobicContact CD1-CE2 4.03Å; L78-F165 HydrophobicContact CD1-CZ 3.43Å; L78-F165 VanDerWaalsContact CD1-CZ 3.43Å; C84-F165 HydrophobicContact CB-CE2 4.38Å; C84-F165 HydrophobicContact CB-CZ 4.09Å; P86-F165 HydrophobicContact CB-CD2 4.38Å; I142-F165 HydrophobicContact CG2-CD1 4.07Å; I142-F165 HydrophobicContact CG2-CE1 4.15Å; H144-F165 HydrophobicContact CB-CD1 4.15Å; H144-F165 HydrophobicContact CB-CE1 4.27Å; H144-F165 AromaticContact CD2-CD1 3.68Å; H144-F165 AromaticContact CD2-CE1 3.77Å; H144-F165 AromaticContact CD2-CG 3.92Å; L162-F165 WeakPolarHBondContact O-CE2 3.48Å; F165-N167 PolarHBondContact O-N 3.18Å | ||
| 166 | A | 75.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | trans | -107.1 | 48.6 | -160.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H144 D146 D164 F168 K169 | H144-A166 PolarHBondContact O-N 2.97Å; H144-A166 VanDerWaalsContact O-N 3.14Å; D146-A166 HydrophobicContact CB-CB 3.49Å; D146-A166 VanDerWaalsContact CB-CB 3.49Å; D164-A166 PolarHBondContact O-N 3.17Å; A166-F168 PolarHBondContact O-N 3.13Å; A166-K169 HydrophobicContact CB-CB 4.45Å; A166-K169 HydrophobicContact CB-CD 3.86Å; A166-K169 HydrophobicContact CB-CG 3.99Å; A166-K169 PolarHBondContact O-N 3.08Å | ||
| 167 | N | 72.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 24.9 Ų | 24.9 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.5 | -178.5 | 68.3 | -7.1 | 0 | 0 | 0 | 115.1 | A70 I74 F165 | A70-N167 WeakPolarHBondContact CB-ND2 3.39Å; I74-N167 HydrophobicContact CD1-CB 4.05Å; F165-N167 PolarHBondContact O-N 3.18Å |
| 168 | F | 72.5 | Confident | 83.7 | Confident | 45 Ų | 45 | 27 Ų | 27 | 20% | 0.197 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -8.8 | 178.3 | 53.5 | -97.2 | 0 | 0 | 0 | 114 | M38 Y67 A166 | M38-F168 HydrophobicContact CE-CE1 4.5Å; M38-F168 HydrophobicContact CE-CZ 4.3Å; Y67-F168 HydrophobicContact CD1-CB 3.76Å; Y67-F168 HydrophobicContact CE1-CB 3.77Å; A166-F168 PolarHBondContact O-N 3.13Å |
| 169 | K | 78.7 | Confident | 83 | Confident | 23 Ų | 23 | 28.8 Ų | 28.8 | 10% | 0.1 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -82.2 | 147.7 | 176.3 | -65.4 | -169 | -170.4 | -168.9 | 0 | 110.4 | D146 A166 S171 F184 F185 | D146-K169 HydrophobicContact CB-CD 4.4Å; D146-K169 IonicContact OD1-NZ 3.26Å; D146-K169 PolarHBondContact OD1-NZ 3.48Å; D146-K169 WeakPolarHBondContact OD2-CE 3.4Å; D146-K169 IonicContact OD2-NZ 3.84Å; D146-K169 PolarHBondContact OD2-NZ 3.47Å; A166-K169 HydrophobicContact CB-CB 4.45Å; A166-K169 HydrophobicContact CB-CD 3.86Å; A166-K169 HydrophobicContact CB-CG 3.99Å; A166-K169 PolarHBondContact O-N 3.08Å; K169-S171 PolarHBondContact O-N 3.12Å; K169-F184 HydrophobicContact CB-CD1 4.48Å; K169-F184 HydrophobicContact CD-CB 4.48Å; K169-F184 WeakPolarHBondContact CE-O 2.99Å; K169-F184 HydrophobicContact CG-CD1 4.16Å; K169-F184 PolarHBondContact NZ-O 3.29Å; K169-F185 HydrophobicContact CB-CE1 4.32Å; K169-F185 HydrophobicContact CB-CZ 3.85Å; K169-F185 HydrophobicContact CD-CD1 4.1Å; K169-F185 HydrophobicContact CD-CE1 3.58Å; K169-F185 HydrophobicContact CD-CZ 3.84Å; K169-F185 HydrophobicContact CG-CZ 4.47Å |
| 170 | P | 74.4 | Confident | 82.1 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | trans | -62.3 | 135.5 | 179.1 | 26.6 | -33.9 | 0 | 0 | 0 | 110 | T172 F184 F185 R199 | P170-T172 VanDerWaalsContact C-N 3.33Å; P170-F184 HydrophobicContact CG-CD2 3.84Å; P170-F184 HydrophobicContact CG-CE2 3.95Å; P170-F184 HydrophobicContact CG-CG 4.18Å; P170-F184 HydrophobicContact CG-CZ 4.37Å; P170-F185 HydrophobicContact CG-CE2 4.38Å; P170-R199 PolarHBondContact O-NH2 2.86Å | ||
| 171 | S | 78.4 | Confident | 81.4 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -71.8 | -28.2 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | K169 R199 F223 | K169-S171 PolarHBondContact O-N 3.12Å; S171-R199 VanDerWaalsContact CA-NH2 3.27Å; S171-R199 VanDerWaalsContact O-CZ 3.3Å; S171-R199 PolarHBondContact O-NE 3.16Å; S171-R199 PolarHBondContact O-NH2 2.78Å; S171-F223 WeakPolarHBondContact CB-O 3.49Å; S171-F223 PolarHBondContact OG-O 3.31Å |
| 172 | T | 79.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -131.5 | 143.8 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | P170 R199 T201 M206 F223 | P170-T172 VanDerWaalsContact C-N 3.33Å; T172-R199 CarbonylContact C-O 3.56Å; T172-R199 WeakPolarHBondContact CA-O 3.19Å; T172-R199 WeakPolarHBondContact CG2-O 3.04Å; T172-T201 VanDerWaalsContact CG2-CB 3.47Å; T172-T201 WeakPolarHBondContact CG2-OG1 3.39Å; T172-M206 HydrophobicContact CG2-CE 3.36Å; T172-F223 HydrophobicContact CG2-CD1 4.15Å; T172-F223 WeakPolarHBondContact OG1-CB 3.24Å |
| 173 | I | 83 | Confident | 79.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.2 | -173.8 | -50.1 | 173.1 | 0 | 0 | 0 | 108.9 | Y175 D180 F181 F185 I195 R199 F200 T201 M206 | I173-Y175 PolarHBondContact O-N 2.91Å; I173-D180 HydrophobicContact CG2-CB 3.71Å; I173-F181 HydrophobicContact CG2-CB 4.48Å; I173-F185 HydrophobicContact CD1-CD2 3.52Å; I173-F185 HydrophobicContact CD1-CE2 3.28Å; I173-F185 HydrophobicContact CD1-CZ 4.13Å; I173-F185 HydrophobicContact CG1-CE2 4.07Å; I173-I195 HydrophobicContact CD1-CD1 3.7Å; I173-R199 PolarHBondContact N-O 2.62Å; I173-F200 HydrophobicContact CB-CD1 4.3Å; I173-F200 HydrophobicContact CB-CE1 4.36Å; I173-F200 HydrophobicContact CG2-CE1 4.37Å; I173-F200 CarbonylContact O-C 3.49Å; I173-F200 VanDerWaalsContact O-CA 3.26Å; I173-F200 WeakPolarHBondContact O-CA 3.31Å; I173-T201 PolarHBondContact O-N 3.24Å; I173-M206 VanDerWaalsContact C-CE 3.43Å |
| 174 | P | 81.2 | Confident | 78.4 | Confident | 13 Ų | 13 | 33.9 Ų | 33.9 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 131.1 | 172.9 | 23.1 | -32 | 0 | 0 | 0 | 111.4 | D176 N177 D180 T201 | P174-D176 VanDerWaalsContact C-N 3.35Å; P174-D176 VanDerWaalsContact CB-OD1 3.3Å; P174-D176 WeakPolarHBondContact CB-OD1 3.26Å; P174-N177 HydrophobicContact CB-CB 4.36Å; P174-N177 HydrophobicContact CG-CB 4.16Å; P174-D180 WeakPolarHBondContact CD-OD2 3.1Å; P174-D180 WeakPolarHBondContact CG-OD2 3.27Å; P174-T201 WeakPolarHBondContact CA-O 3.49Å |
| 175 | Y | 77.8 | Confident | 78.1 | Confident | 103 Ų | 103 | 33.7 Ų | 33.7 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -74.7 | -27 | 178.9 | 82.8 | -89.7 | 0 | 0 | 0 | 112.9 | I173 T201 V202 | I173-Y175 PolarHBondContact O-N 2.91Å; Y175-T201 WeakPolarHBondContact CD1-O 3.43Å; Y175-T201 PolarHBondContact N-O 3.46Å; Y175-T201 VanDerWaalsContact N-O 3.12Å; Y175-V202 HydrophobicContact CD1-CB 4.44Å; Y175-V202 HydrophobicContact CD1-CG2 4.25Å; Y175-V202 HydrophobicContact CE1-CB 3.97Å; Y175-V202 HydrophobicContact CE1-CG1 3.98Å; Y175-V202 HydrophobicContact CE1-CG2 3.76Å |
| 176 | D | 78.5 | Confident | 77.7 | Confident | 83 Ų | 83 | 34.3 Ų | 34.3 | 44% | 0.444 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -81.5 | -17.3 | -176.7 | 55 | -33.5 | 0 | 0 | 0 | 112.7 | P174 S203 | P174-D176 VanDerWaalsContact C-N 3.35Å; P174-D176 VanDerWaalsContact CB-OD1 3.3Å; P174-D176 WeakPolarHBondContact CB-OD1 3.26Å; D176-S203 WeakPolarHBondContact OD2-CB 3.14Å; D176-S203 PolarHBondContact OD2-OG 3.34Å |
| 177 | N | 80.3 | Confident | 77.2 | Confident | 72 Ų | 72 | 36.3 Ų | 36.3 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | trans | -125.4 | 103 | -180 | -172.8 | 1.9 | 0 | 0 | 0 | 112.2 | P174 A179 | P174-N177 HydrophobicContact CB-CB 4.36Å; P174-N177 HydrophobicContact CG-CB 4.16Å; N177-A179 PolarHBondContact O-N 2.95Å; N177-A179 VanDerWaalsContact O-N 3.12Å; N177-A179 WeakPolarHBondContact OD1-CB 3.49Å; N177-A179 PolarHBondContact OD1-N 3.01Å | ||
| 178 | P | 78.5 | Confident | 77 | Confident | 68 Ų | 68 | 36.7 Ų | 36.7 | 44% | 0.442 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.7 | -4.9 | 179.4 | 32.1 | -36.9 | 0 | 0 | 0 | 113.1 | D180 F181 T182 L251 | P178-D180 VanDerWaalsContact C-N 3.33Å; P178-D180 PolarHBondContact O-N 3.02Å; P178-F181 PolarHBondContact O-N 3.44Å; P178-T182 WeakPolarHBondContact O-CB 3.34Å; P178-T182 PolarHBondContact O-N 2.95Å; P178-T182 PolarHBondContact O-OG1 3.17Å; P178-L251 HydrophobicContact CB-CD2 3.61Å |
| 179 | A | 77.2 | Confident | 76.9 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 41% | 0.405 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.6 | -44.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N177 T182 Y183 | N177-A179 PolarHBondContact O-N 2.95Å; N177-A179 VanDerWaalsContact O-N 3.12Å; N177-A179 WeakPolarHBondContact OD1-CB 3.49Å; N177-A179 PolarHBondContact OD1-N 3.01Å; A179-T182 PolarHBondContact O-N 3.5Å; A179-Y183 WeakPolarHBondContact O-CB 3.1Å; A179-Y183 PolarHBondContact O-N 3.05Å |
| 180 | D | 75.1 | Confident | 76.7 | Confident | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -41.8 | -180 | -75 | -31.8 | 0 | 0 | 0 | 111.7 | I173 P174 P178 Y183 F184 | I173-D180 HydrophobicContact CG2-CB 3.71Å; P174-D180 WeakPolarHBondContact CD-OD2 3.1Å; P174-D180 WeakPolarHBondContact CG-OD2 3.27Å; P178-D180 VanDerWaalsContact C-N 3.33Å; P178-D180 PolarHBondContact O-N 3.02Å; D180-Y183 PolarHBondContact O-N 2.9Å; D180-F184 HydrophobicContact CB-CD2 4.49Å; D180-F184 WeakPolarHBondContact O-CB 3.26Å; D180-F184 WeakPolarHBondContact O-CD2 3.36Å; D180-F184 PolarHBondContact O-N 3.3Å |
| 181 | F | 81.5 | Confident | 76.9 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -51.4 | 172.4 | 172.1 | -97.9 | 0 | 0 | 0 | 111.5 | I173 P178 Y183 F184 F185 D186 C193 I195 F200 L251 | I173-F181 HydrophobicContact CG2-CB 4.48Å; P178-F181 PolarHBondContact O-N 3.44Å; F181-Y183 PolarHBondContact O-N 3.05Å; F181-F184 PolarHBondContact O-N 2.91Å; F181-F185 HydrophobicContact CD2-CB 3.93Å; F181-F185 HydrophobicContact CE2-CB 3.88Å; F181-F185 WeakPolarHBondContact O-CA 3.35Å; F181-F185 PolarHBondContact O-N 3.19Å; F181-D186 HydrophobicContact CD1-CB 4.28Å; F181-D186 HydrophobicContact CE1-CB 3.71Å; F181-D186 HydrophobicContact CZ-CB 4.14Å; F181-D186 PolarHBondContact O-N 3.13Å; F181-D186 VanDerWaalsContact O-N 3.12Å; F181-C193 HydrophobicContact CE2-CB 4.17Å; F181-C193 WeakPolarHBondContact CE2-SG 3.18Å; F181-C193 HydrophobicContact CZ-CB 3.96Å; F181-I195 HydrophobicContact CD2-CD1 3.58Å; F181-I195 HydrophobicContact CE2-CD1 3.68Å; F181-I195 HydrophobicContact CE2-CG1 4.28Å; F181-F200 HydrophobicContact CD2-CZ 4.31Å; F181-L251 HydrophobicContact CB-CD1 4.4Å; F181-L251 HydrophobicContact CB-CD2 4.36Å; F181-L251 HydrophobicContact CD1-CB 4.21Å; F181-L251 HydrophobicContact CD1-CD1 4.04Å; F181-L251 HydrophobicContact CD1-CD2 3.67Å; F181-L251 HydrophobicContact CD1-CG 4.19Å; F181-L251 HydrophobicContact CD2-CD1 4.08Å; F181-L251 HydrophobicContact CE1-CB 3.93Å; F181-L251 HydrophobicContact CE1-CD1 4.35Å; F181-L251 HydrophobicContact CE1-CD2 4.25Å; F181-L251 HydrophobicContact CE1-CG 4.4Å; F181-L251 HydrophobicContact CE2-CD1 4.42Å; F181-L251 HydrophobicContact CG-CD1 3.88Å; F181-L251 HydrophobicContact CG-CD2 4.1Å; F181-L251 HydrophobicContact CG-CG 4.49Å; F181-L251 HydrophobicContact CZ-CB 4.39Å |
| 182 | T | 78.3 | Confident | 77.2 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | -178.3 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | P178 A179 | P178-T182 WeakPolarHBondContact O-CB 3.34Å; P178-T182 PolarHBondContact O-N 2.95Å; P178-T182 PolarHBondContact O-OG1 3.17Å; A179-T182 PolarHBondContact O-N 3.5Å |
| 183 | Y | 71 | Confident | 77.6 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -77.1 | -47.9 | -179.3 | -170 | -104.3 | 0 | 0 | 0 | 111.7 | G2 R36 F37 A179 D180 F181 | G2-Y183 VanDerWaalsContact CA-CE1 3.47Å; R36-Y183 HydrophobicContact CB-CE2 4.11Å; R36-Y183 VanDerWaalsContact CD-CD2 3.47Å; F37-Y183 HydrophobicContact CD1-CE1 4.14Å; F37-Y183 AromaticContact CE1-CD1 3.68Å; F37-Y183 HydrophobicContact CE1-CD1 3.68Å; F37-Y183 AromaticContact CE1-CE1 3.19Å; F37-Y183 HydrophobicContact CE1-CE1 3.19Å; F37-Y183 AromaticContact CE1-CZ 3.98Å; F37-Y183 HydrophobicContact CE2-CD1 4.47Å; F37-Y183 WeakPolarHBondContact CE2-O 3.36Å; F37-Y183 AromaticContact CZ-CD1 3.38Å; F37-Y183 HydrophobicContact CZ-CD1 3.38Å; F37-Y183 AromaticContact CZ-CE1 3.4Å; F37-Y183 HydrophobicContact CZ-CE1 3.4Å; F37-Y183 HydrophobicContact CZ-CG 4.2Å; F37-Y183 VanDerWaalsContact CZ-O 3.24Å; F37-Y183 WeakPolarHBondContact CZ-O 3.42Å; A179-Y183 WeakPolarHBondContact O-CB 3.1Å; A179-Y183 PolarHBondContact O-N 3.05Å; D180-Y183 PolarHBondContact O-N 2.9Å; F181-Y183 PolarHBondContact O-N 3.05Å |
| 184 | F | 75.6 | Confident | 78 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -92.5 | -33.5 | -172.2 | -74.2 | -78.3 | 0 | 0 | 0 | 115.6 | F37 K169 P170 D180 F181 | F37-F184 HydrophobicContact CD1-CE1 4.38Å; F37-F184 AromaticContact CE1-CD1 3.43Å; F37-F184 HydrophobicContact CE1-CD1 3.43Å; F37-F184 VanDerWaalsContact CE1-CD1 3.43Å; F37-F184 AromaticContact CE1-CE1 3.26Å; F37-F184 HydrophobicContact CE1-CE1 3.26Å; F37-F184 HydrophobicContact CE1-CG 4.32Å; F37-F184 HydrophobicContact CE1-CZ 4.05Å; F37-F184 HydrophobicContact CE2-CD1 4.05Å; F37-F184 HydrophobicContact CZ-CB 4.17Å; F37-F184 AromaticContact CZ-CD1 3.11Å; F37-F184 HydrophobicContact CZ-CD1 3.11Å; F37-F184 HydrophobicContact CZ-CD2 4.46Å; F37-F184 AromaticContact CZ-CE1 3.49Å; F37-F184 HydrophobicContact CZ-CE1 3.49Å; F37-F184 VanDerWaalsContact CZ-CE1 3.49Å; F37-F184 AromaticContact CZ-CG 3.67Å; F37-F184 HydrophobicContact CZ-CG 3.67Å; F37-F184 HydrophobicContact CZ-CZ 4.31Å; K169-F184 HydrophobicContact CB-CD1 4.48Å; K169-F184 HydrophobicContact CD-CB 4.48Å; K169-F184 WeakPolarHBondContact CE-O 2.99Å; K169-F184 HydrophobicContact CG-CD1 4.16Å; K169-F184 PolarHBondContact NZ-O 3.29Å; P170-F184 HydrophobicContact CG-CD2 3.84Å; P170-F184 HydrophobicContact CG-CE2 3.95Å; P170-F184 HydrophobicContact CG-CG 4.18Å; P170-F184 HydrophobicContact CG-CZ 4.37Å; D180-F184 HydrophobicContact CB-CD2 4.49Å; D180-F184 WeakPolarHBondContact O-CB 3.26Å; D180-F184 WeakPolarHBondContact O-CD2 3.36Å; D180-F184 PolarHBondContact O-N 3.3Å; F181-F184 PolarHBondContact O-N 2.91Å |
| 185 | F | 81.3 | Confident | 78.5 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -34.9 | -165.5 | -61.8 | -85.9 | 0 | 0 | 0 | 113.2 | D146 K169 P170 I173 F181 S187 I195 | D146-F185 WeakPolarHBondContact OD1-CD1 3.45Å; K169-F185 HydrophobicContact CB-CE1 4.32Å; K169-F185 HydrophobicContact CB-CZ 3.85Å; K169-F185 HydrophobicContact CD-CD1 4.1Å; K169-F185 HydrophobicContact CD-CE1 3.58Å; K169-F185 HydrophobicContact CD-CZ 3.84Å; K169-F185 HydrophobicContact CG-CZ 4.47Å; P170-F185 HydrophobicContact CG-CE2 4.38Å; I173-F185 HydrophobicContact CD1-CD2 3.52Å; I173-F185 HydrophobicContact CD1-CE2 3.28Å; I173-F185 HydrophobicContact CD1-CZ 4.13Å; I173-F185 HydrophobicContact CG1-CE2 4.07Å; F181-F185 HydrophobicContact CD2-CB 3.93Å; F181-F185 HydrophobicContact CE2-CB 3.88Å; F181-F185 WeakPolarHBondContact O-CA 3.35Å; F181-F185 PolarHBondContact O-N 3.19Å; F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.16Å; F185-I195 HydrophobicContact CB-CD1 3.66Å; F185-I195 HydrophobicContact CB-CG1 4.47Å; F185-I195 HydrophobicContact CD1-CD1 3.57Å; F185-I195 HydrophobicContact CD1-CG1 4.1Å; F185-I195 HydrophobicContact CD2-CD1 3.63Å; F185-I195 HydrophobicContact CE1-CD1 4.11Å; F185-I195 HydrophobicContact CE2-CD1 4.17Å; F185-I195 HydrophobicContact CG-CD1 3.32Å; F185-I195 HydrophobicContact CG-CG1 4.26Å; F185-I195 HydrophobicContact CZ-CD1 4.4Å |
| 186 | D | 79.5 | Confident | 79.2 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | trans | -92.7 | 52.3 | 175.4 | -170.4 | 21.3 | 0 | 0 | 0 | 113 | F181 R189 R190 R191 | F181-D186 HydrophobicContact CD1-CB 4.28Å; F181-D186 HydrophobicContact CE1-CB 3.71Å; F181-D186 HydrophobicContact CZ-CB 4.14Å; F181-D186 PolarHBondContact O-N 3.13Å; F181-D186 VanDerWaalsContact O-N 3.12Å; D186-R189 VanDerWaalsContact OD1-CA 3.31Å; D186-R189 WeakPolarHBondContact OD1-CA 3.38Å; D186-R189 PolarHBondContact OD1-N 3.41Å; D186-R190 PolarHBondContact OD1-N 3.49Å; D186-R191 PolarHBondContact OD1-N 2.69Å | ||
| 187 | S | 66.6 | Low | 79.8 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -28.8 | 179.1 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | F185 R189 | F185-S187 VanDerWaalsContact C-N 3.35Å; F185-S187 PolarHBondContact O-N 3.16Å; S187-R189 VanDerWaalsContact C-N 3.3Å |
| 188 | S | 68.1 | Low | 80.2 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.6 | -179.5 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | E150 R190 | E150-S188 WeakPolarHBondContact OE1-CB 3.44Å; E150-S188 PolarHBondContact OE1-OG 3.17Å; S188-R190 PolarHBondContact O-N 3.15Å; S188-R190 VanDerWaalsContact O-N 3.14Å |
| 189 | R | 70.2 | Confident | 80.7 | Confident | 208 Ų | 208 | 41.2 Ų | 41.2 | 79% | 0.785 | 20% | 0.196 | S | C | * | . | trans | 56.7 | 21.6 | -177 | -55.2 | -177.1 | 179.3 | -172 | 0.1 | 113.6 | D186 S187 R191 | D186-R189 VanDerWaalsContact OD1-CA 3.31Å; D186-R189 WeakPolarHBondContact OD1-CA 3.38Å; D186-R189 PolarHBondContact OD1-N 3.41Å; S187-R189 VanDerWaalsContact C-N 3.3Å; R189-R191 PolarHBondContact O-N 3.09Å | ||
| 190 | R | 74.1 | Confident | 81.2 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 21% | 0.211 | 18% | 0.178 | C | C | . | . | trans | -73.6 | -11.6 | 176.3 | -66 | -175.3 | 65.8 | -150.2 | -1.6 | 111.7 | Y109 T149 D186 S188 T192 Y194 E240 | Y109-R190 VanDerWaalsContact CD2-CZ 3.49Å; Y109-R190 VanDerWaalsContact CD2-NH1 3.32Å; Y109-R190 VanDerWaalsContact CE2-NE 3.29Å; T149-R190 PolarHBondContact OG1-NH1 3.12Å; D186-R190 PolarHBondContact OD1-N 3.49Å; S188-R190 PolarHBondContact O-N 3.15Å; S188-R190 VanDerWaalsContact O-N 3.14Å; R190-T192 HydrophobicContact CB-CG2 3.94Å; R190-T192 PolarHBondContact O-N 3.43Å; R190-Y194 PolarHBondContact NH1-OH 2.9Å; R190-E240 IonicContact CZ-OE1 3.79Å; R190-E240 VanDerWaalsContact CZ-OE1 3.28Å; R190-E240 IonicContact NH1-OE1 3.9Å; R190-E240 PolarHBondContact NH1-OE1 2.93Å; R190-E240 IonicContact NH2-OE1 3.98Å; R190-E240 PolarHBondContact NH2-OE1 3.29Å | ||
| 191 | R | 78.5 | Confident | 81.5 | Confident | 195 Ų | 195 | 38.3 Ų | 38.3 | 74% | 0.736 | 17% | 0.174 | S | C | * | . | trans | 56.5 | 27.5 | -173.1 | -56.7 | -177.5 | 176.2 | -155.8 | -0.6 | 112.3 | D186 R189 D250 | D186-R191 PolarHBondContact OD1-N 2.69Å; R189-R191 PolarHBondContact O-N 3.09Å; R191-D250 VanDerWaalsContact O-CA 3.28Å; R191-D250 WeakPolarHBondContact O-CA 3.32Å; R191-D250 WeakPolarHBondContact O-CB 3.47Å | ||
| 192 | T | 85.3 | Confident | 81.2 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 10% | 0.104 | 19% | 0.189 | C | C | . | . | trans | -97.3 | 144.8 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | R190 Y194 S247 | R190-T192 HydrophobicContact CB-CG2 3.94Å; R190-T192 PolarHBondContact O-N 3.43Å; T192-Y194 WeakPolarHBondContact OG1-CE2 3.07Å; T192-S247 WeakPolarHBondContact CB-OG 3.2Å; T192-S247 VanDerWaalsContact CG2-OG 3.25Å; T192-S247 WeakPolarHBondContact CG2-OG 3.37Å | ||
| 193 | C | 88.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | trans | -128.3 | 109.9 | -176.1 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | F181 F249 L254 | F181-C193 HydrophobicContact CE2-CB 4.17Å; F181-C193 WeakPolarHBondContact CE2-SG 3.18Å; F181-C193 HydrophobicContact CZ-CB 3.96Å; C193-F249 HydrophobicContact CB-CB 4.4Å; C193-F249 PolarHBondContact N-O 2.83Å; C193-L254 HydrophobicContact CB-CD2 4.35Å; C193-L254 WeakPolarHBondContact SG-CD2 3.32Å | ||
| 194 | Y | 91 | Very high | 80.6 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | trans | -96.4 | -3 | 176.8 | -54.2 | -89 | 0 | 0 | 0 | 112.4 | I147 K148 T149 R190 T192 S233 C236 V237 E240 | I147-Y194 VanDerWaalsContact O-CB 3.31Å; I147-Y194 WeakPolarHBondContact O-CB 3.25Å; K148-Y194 HydrophobicContact CB-CD1 4.36Å; K148-Y194 HydrophobicContact CB-CD2 3.5Å; K148-Y194 HydrophobicContact CB-CE2 3.7Å; K148-Y194 HydrophobicContact CB-CG 3.88Å; T149-Y194 PolarHBondContact OG1-OH 3.27Å; R190-Y194 PolarHBondContact NH1-OH 2.9Å; T192-Y194 WeakPolarHBondContact OG1-CE2 3.07Å; Y194-S233 VanDerWaalsContact O-CA 3.23Å; Y194-S233 WeakPolarHBondContact O-CA 3.19Å; Y194-S233 WeakPolarHBondContact O-CB 3.32Å; Y194-S233 PolarHBondContact O-OG 2.91Å; Y194-S233 VanDerWaalsContact O-OG 3.05Å; Y194-C236 HydrophobicContact CD1-CB 3.75Å; Y194-V237 HydrophobicContact CD1-CG2 3.97Å; Y194-V237 HydrophobicContact CE1-CG2 4.18Å; Y194-E240 WeakPolarHBondContact CE1-OE2 3.19Å; Y194-E240 VanDerWaalsContact CZ-OE2 3.27Å; Y194-E240 PolarHBondContact OH-OE1 3.48Å; Y194-E240 PolarHBondContact OH-OE2 3.41Å | ||
| 195 | I | 90.8 | Very high | 80 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75.5 | 137.9 | -168.4 | -55 | -175.6 | 0 | 0 | 0 | 110.6 | I173 F181 F185 R199 F200 F232 L254 | I173-I195 HydrophobicContact CD1-CD1 3.7Å; F181-I195 HydrophobicContact CD2-CD1 3.58Å; F181-I195 HydrophobicContact CE2-CD1 3.68Å; F181-I195 HydrophobicContact CE2-CG1 4.28Å; F185-I195 HydrophobicContact CB-CD1 3.66Å; F185-I195 HydrophobicContact CB-CG1 4.47Å; F185-I195 HydrophobicContact CD1-CD1 3.57Å; F185-I195 HydrophobicContact CD1-CG1 4.1Å; F185-I195 HydrophobicContact CD2-CD1 3.63Å; F185-I195 HydrophobicContact CE1-CD1 4.11Å; F185-I195 HydrophobicContact CE2-CD1 4.17Å; F185-I195 HydrophobicContact CG-CD1 3.32Å; F185-I195 HydrophobicContact CG-CG1 4.26Å; F185-I195 HydrophobicContact CZ-CD1 4.4Å; I195-R199 HydrophobicContact CG2-CB 3.69Å; I195-R199 HydrophobicContact CG2-CG 4.07Å; I195-F200 HydrophobicContact CB-CE2 4.16Å; I195-F200 HydrophobicContact CD1-CZ 4.49Å; I195-F200 HydrophobicContact CG2-CE2 4.01Å; I195-F232 WeakPolarHBondContact O-CE1 3.31Å; I195-L254 WeakPolarHBondContact O-CD2 3.49Å |
| 196 | A | 92.8 | Very high | 78.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -61.8 | 138.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E198 R199 M229 F232 | A196-E198 WeakPolarHBondContact CB-OE1 3.42Å; A196-E198 WeakPolarHBondContact CB-OE2 3.23Å; A196-E198 PolarHBondContact O-N 3.22Å; A196-E198 VanDerWaalsContact O-N 3.16Å; A196-R199 HydrophobicContact CB-CG 4.41Å; A196-R199 WeakPolarHBondContact O-CB 3.28Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-M229 HydrophobicContact CB-CB 3.92Å; A196-M229 HydrophobicContact CB-CG 4.16Å; A196-F232 VanDerWaalsContact CA-CD1 3.46Å; A196-F232 HydrophobicContact CB-CB 3.9Å; A196-F232 HydrophobicContact CB-CD1 4.02Å; A196-F232 HydrophobicContact CB-CG 3.98Å | ||
| 197 | P | 91.4 | Very high | 77.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -55.4 | -34.8 | -176 | -27.7 | 34.1 | 0 | 0 | 0 | 114.7 | R199 F200 F232 L254 Y257 R258 L286 | P197-R199 PolarHBondContact O-N 2.79Å; P197-F200 PolarHBondContact O-N 2.85Å; P197-F232 HydrophobicContact CG-CE2 3.91Å; P197-F232 HydrophobicContact CG-CZ 4Å; P197-L254 HydrophobicContact CG-CD1 3.97Å; P197-Y257 HydrophobicContact CG-CD1 4.12Å; P197-Y257 HydrophobicContact CG-CE1 4.47Å; P197-R258 HydrophobicContact CB-CB 4.06Å; P197-R258 HydrophobicContact CB-CG 4.02Å; P197-L286 HydrophobicContact CB-CD1 3.96Å; P197-L286 HydrophobicContact CG-CD1 4.03Å |
| 198 | E | 89.7 | Confident | 77.4 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -70.7 | -12.5 | 179.9 | 68 | -87 | -160.6 | 0 | 0 | 114 | A196 F200 M229 P288 R291 | A196-E198 WeakPolarHBondContact CB-OE1 3.42Å; A196-E198 WeakPolarHBondContact CB-OE2 3.23Å; A196-E198 PolarHBondContact O-N 3.22Å; A196-E198 VanDerWaalsContact O-N 3.16Å; E198-F200 PolarHBondContact O-N 3.33Å; E198-M229 HydrophobicContact CG-CE 3.98Å; E198-M229 HydrophobicContact CG-CG 4.29Å; E198-M229 WeakPolarHBondContact OE1-CG 3.49Å; E198-P288 HydrophobicContact CB-CG 4.45Å; E198-P288 HydrophobicContact CG-CG 4.09Å; E198-R291 IonicContact OE1-CZ 3.37Å; E198-R291 IonicContact OE1-NH1 3.83Å; E198-R291 PolarHBondContact OE1-NH1 2.76Å; E198-R291 IonicContact OE1-NH2 3.73Å; E198-R291 IonicContact OE2-CZ 2.88Å; E198-R291 IonicContact OE2-NH1 3.52Å; E198-R291 PolarHBondContact OE2-NH1 2.73Å; E198-R291 IonicContact OE2-NH2 3.34Å; E198-R291 PolarHBondContact OE2-NH2 3.12Å |
| 199 | R | 88.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -74 | -12.3 | 172.2 | -62.6 | -169.9 | 71.3 | -129.6 | 16.4 | 112.2 | P170 S171 T172 I173 I195 A196 P197 M229 | P170-R199 PolarHBondContact O-NH2 2.86Å; S171-R199 VanDerWaalsContact CA-NH2 3.27Å; S171-R199 VanDerWaalsContact O-CZ 3.3Å; S171-R199 PolarHBondContact O-NE 3.16Å; S171-R199 PolarHBondContact O-NH2 2.78Å; T172-R199 CarbonylContact C-O 3.56Å; T172-R199 WeakPolarHBondContact CA-O 3.19Å; T172-R199 WeakPolarHBondContact CG2-O 3.04Å; I173-R199 PolarHBondContact N-O 2.62Å; I195-R199 HydrophobicContact CG2-CB 3.69Å; I195-R199 HydrophobicContact CG2-CG 4.07Å; A196-R199 HydrophobicContact CB-CG 4.41Å; A196-R199 WeakPolarHBondContact O-CB 3.28Å; A196-R199 PolarHBondContact O-N 2.97Å; P197-R199 PolarHBondContact O-N 2.79Å; R199-M229 HydrophobicContact CG-CE 4.15Å; R199-M229 HydrophobicContact CG-CG 4.21Å; R199-M229 HydrophobicContact CG-SD 3.57Å; R199-M229 VanDerWaalsContact CG-SD 3.57Å |
| 200 | F | 87.8 | Confident | 75.8 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.8 | 173.8 | -66.3 | -87 | 0 | 0 | 0 | 109.8 | I173 F181 I195 P197 E198 L251 L254 L255 R258 | I173-F200 HydrophobicContact CB-CD1 4.3Å; I173-F200 HydrophobicContact CB-CE1 4.36Å; I173-F200 HydrophobicContact CG2-CE1 4.37Å; I173-F200 CarbonylContact O-C 3.49Å; I173-F200 VanDerWaalsContact O-CA 3.26Å; I173-F200 WeakPolarHBondContact O-CA 3.31Å; F181-F200 HydrophobicContact CD2-CZ 4.31Å; I195-F200 HydrophobicContact CB-CE2 4.16Å; I195-F200 HydrophobicContact CD1-CZ 4.49Å; I195-F200 HydrophobicContact CG2-CE2 4.01Å; P197-F200 PolarHBondContact O-N 2.85Å; E198-F200 PolarHBondContact O-N 3.33Å; F200-L251 HydrophobicContact CE1-CD1 3.66Å; F200-L251 HydrophobicContact CZ-CD1 3.59Å; F200-L254 HydrophobicContact CD2-CD2 4.27Å; F200-L254 HydrophobicContact CE2-CD2 3.47Å; F200-L254 VanDerWaalsContact CE2-CD2 3.47Å; F200-L254 HydrophobicContact CZ-CD2 4.18Å; F200-L255 HydrophobicContact CB-CD2 4.35Å; F200-L255 HydrophobicContact CD1-CD2 4.1Å; F200-L255 HydrophobicContact CG-CD2 4.05Å; F200-R258 VanDerWaalsContact C-NH1 3.26Å; F200-R258 PolarHBondContact O-NH1 3.22Å; F200-R258 PolarHBondContact O-NH2 3.08Å |
| 201 | T | 81.4 | Confident | 74.6 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.3 | 178.7 | -60 | 0 | 0 | 0 | 0 | 111 | T172 I173 P174 Y175 D205 F223 | T172-T201 VanDerWaalsContact CG2-CB 3.47Å; T172-T201 WeakPolarHBondContact CG2-OG1 3.39Å; I173-T201 PolarHBondContact O-N 3.24Å; P174-T201 WeakPolarHBondContact CA-O 3.49Å; Y175-T201 WeakPolarHBondContact CD1-O 3.43Å; Y175-T201 PolarHBondContact N-O 3.46Å; Y175-T201 VanDerWaalsContact N-O 3.12Å; T201-D205 HydrophobicContact CG2-CB 3.89Å; T201-F223 HydrophobicContact CG2-CE1 4.28Å |
| 202 | V | 74.5 | Confident | 73.1 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 33% | 0.327 | 27% | 0.272 | S | S | . | . | trans | -66 | 131.5 | 175.2 | -170.8 | 0 | 0 | 0 | 0 | 109 | Y175 S204 D205 | Y175-V202 HydrophobicContact CD1-CB 4.44Å; Y175-V202 HydrophobicContact CD1-CG2 4.25Å; Y175-V202 HydrophobicContact CE1-CB 3.97Å; Y175-V202 HydrophobicContact CE1-CG1 3.98Å; Y175-V202 HydrophobicContact CE1-CG2 3.76Å; V202-S204 WeakPolarHBondContact CG1-OG 3.14Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-S204 VanDerWaalsContact O-N 3.11Å; V202-D205 PolarHBondContact O-N 2.92Å | ||
| 203 | S | 70.2 | Confident | 71.3 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -54.1 | -30 | 179.6 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | D176 D205 M206 | D176-S203 WeakPolarHBondContact OD2-CB 3.14Å; D176-S203 PolarHBondContact OD2-OG 3.34Å; S203-D205 VanDerWaalsContact C-N 3.28Å; S203-D205 PolarHBondContact O-N 3.31Å; S203-M206 PolarHBondContact O-N 3.27Å |
| 204 | S | 66 | Low | 69.2 | Low | 96 Ų | 96 | 56.8 Ų | 56.8 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -65.5 | -25 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | V202 M206 | V202-S204 WeakPolarHBondContact CG1-OG 3.14Å; V202-S204 PolarHBondContact O-N 2.96Å; V202-S204 VanDerWaalsContact O-N 3.11Å; S204-M206 VanDerWaalsContact C-N 3.35Å |
| 205 | D | 63.4 | Low | 67 | Low | 97 Ų | 97 | 59.5 Ų | 59.5 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -89.8 | -6.1 | -178.2 | -65.7 | -14 | 0 | 0 | 0 | 112.2 | T201 V202 S203 | T201-D205 HydrophobicContact CG2-CB 3.89Å; V202-D205 PolarHBondContact O-N 2.92Å; S203-D205 VanDerWaalsContact C-N 3.28Å; S203-D205 PolarHBondContact O-N 3.31Å |
| 206 | M | 59.3 | Low | 64.6 | Low | 36 Ų | 36 | 61.3 Ų | 61.3 | 18% | 0.177 | 36% | 0.355 | C | S | . | . | trans | -91.7 | 122.3 | -180 | -63.3 | -167.6 | 165.3 | 0 | 0 | 110.7 | T172 I173 S203 S204 | T172-M206 HydrophobicContact CG2-CE 3.36Å; I173-M206 VanDerWaalsContact C-CE 3.43Å; S203-M206 PolarHBondContact O-N 3.27Å; S204-M206 VanDerWaalsContact C-N 3.35Å | ||
| 207 | T | 58.7 | Low | 62.1 | Low | 79 Ų | 79 | 63.8 Ų | 63.8 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | trans | -91.3 | 156 | 166 | 62.3 | 0 | 0 | 0 | 0 | 110.7 | L209 D210 | T207-L209 PolarHBondContact O-N 3.42Å; T207-D210 WeakPolarHBondContact CB-OD2 3.48Å; T207-D210 PolarHBondContact N-OD2 3.26Å; T207-D210 WeakPolarHBondContact O-CB 3.44Å; T207-D210 PolarHBondContact O-N 3.44Å; T207-D210 PolarHBondContact OG1-OD2 3.3Å | ||
| 208 | E | 55.5 | Low | 59.6 | Low | 162 Ų | 162 | 67.7 Ų | 67.7 | 76% | 0.757 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -54 | -28.6 | 174.6 | -98.5 | -175.2 | 153.7 | 0 | 0 | 112.8 | L211 | E208-L211 PolarHBondContact O-N 2.83Š|
| 209 | L | 51.6 | Low | 56.9 | Low | 121 Ų | 121 | 76.5 Ų | 76.5 | 63% | 0.634 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -68.1 | -30.3 | 174.9 | -109.2 | 131.7 | 0 | 0 | 0 | 113.2 | T207 L211 M212 | T207-L209 PolarHBondContact O-N 3.42Å; L209-L211 PolarHBondContact O-N 3.36Å; L209-M212 WeakPolarHBondContact O-CB 3.48Å; L209-M212 PolarHBondContact O-N 3.04Å |
| 210 | D | 52.1 | Low | 54.7 | Low | 32 Ų | 32 | 85.7 Ų | 85.7 | 17% | 0.171 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -75 | -16.6 | -179.7 | -58.5 | -44.9 | 0 | 0 | 0 | 112.4 | T207 M212 F223 | T207-D210 WeakPolarHBondContact CB-OD2 3.48Å; T207-D210 PolarHBondContact N-OD2 3.26Å; T207-D210 WeakPolarHBondContact O-CB 3.44Å; T207-D210 PolarHBondContact O-N 3.44Å; T207-D210 PolarHBondContact OG1-OD2 3.3Å; D210-M212 VanDerWaalsContact C-N 3.32Å; D210-F223 HydrophobicContact CB-CD2 3.7Å; D210-F223 HydrophobicContact CB-CE2 4.04Å; D210-F223 HydrophobicContact CB-CG 4.5Å; D210-F223 VanDerWaalsContact OD1-CD2 3.23Å; D210-F223 WeakPolarHBondContact OD1-CD2 3.22Å; D210-F223 WeakPolarHBondContact OD1-CE2 3.12Å; D210-F223 WeakPolarHBondContact OD2-CE2 3.38Å |
| 211 | L | 50.8 | Low | 53 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -86.7 | -2.7 | 174.1 | -63.1 | 170.2 | 0 | 0 | 0 | 112.9 | E208 L209 | E208-L211 PolarHBondContact O-N 2.83Å; L209-L211 PolarHBondContact O-N 3.36Å |
| 212 | M | 45.8 | Very low | 51.7 | Low | 101 Ų | 101 | 95.1 Ų | 95.1 | 50% | 0.498 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -94.4 | 149 | 179.3 | -63 | -158.5 | 75.5 | 0 | 0 | 112.1 | L209 D210 A216 | L209-M212 WeakPolarHBondContact O-CB 3.48Å; L209-M212 PolarHBondContact O-N 3.04Å; D210-M212 VanDerWaalsContact C-N 3.32Å; M212-A216 HydrophobicContact CB-CB 4.36Å; M212-A216 HydrophobicContact CE-CB 4.32Å |
| 213 | P | 47 | Very low | 51.1 | Low | 30 Ų | 30 | 94.2 Ų | 94.2 | 20% | 0.195 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 149.8 | -178.8 | -17.9 | 29.9 | 0 | 0 | 0 | 112.8 | Y67 G215 A216 | Y67-P213 HydrophobicContact CD1-CG 4.47Å; Y67-P213 HydrophobicContact CE1-CB 4.02Å; Y67-P213 HydrophobicContact CE1-CG 3.39Å; Y67-P213 HydrophobicContact CE2-CG 4.31Å; Y67-P213 WeakPolarHBondContact OH-CG 3.33Å; P213-G215 PolarHBondContact O-N 2.92Å; P213-A216 PolarHBondContact O-N 3.28Å |
| 214 | E | 44.4 | Very low | 51.2 | Low | 135 Ų | 135 | 93 Ų | 93 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 123.3 | 170.4 | -76.7 | -179.8 | 176.2 | 0 | 0 | 111.1 | A224 L225 | E214-A224 WeakPolarHBondContact OE1-CA 3.49Å; E214-A224 WeakPolarHBondContact OE1-CB 3.21Å; E214-L225 PolarHBondContact OE1-N 3.05Å |
| 215 | G | 45.9 | Very low | 52.1 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 74% | 0.742 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.5 | -14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P213 G217 | P213-G215 PolarHBondContact O-N 2.92Å; G215-G217 PolarHBondContact O-N 3.14Å; G215-G217 VanDerWaalsContact O-N 3.14Å |
| 216 | A | 40.5 | Very low | 53.4 | Low | 48 Ų | 48 | 90.7 Ų | 90.7 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -75.3 | 5.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | M212 P213 | M212-A216 HydrophobicContact CB-CB 4.36Å; M212-A216 HydrophobicContact CE-CB 4.32Å; P213-A216 PolarHBondContact O-N 3.28Å |
| 217 | G | 39.3 | Very low | 54.9 | Low | 53 Ų | 53 | 90.9 Ų | 90.9 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -160.6 | 10.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G215 R219 | G215-G217 PolarHBondContact O-N 3.14Å; G215-G217 VanDerWaalsContact O-N 3.14Å; G217-R219 PolarHBondContact O-N 3.08Å |
| 218 | G | 39.3 | Very low | 56.7 | Low | 84 Ų | 84 | 90.2 Ų | 90.2 | 87% | 0.866 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 65.3 | -2.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 219 | R | 33.7 | Very low | 58.5 | Low | 234 Ų | 234 | 83.1 Ų | 83.1 | 88% | 0.883 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -96.9 | 135 | 168.9 | -76.2 | -178.5 | 171.9 | 178.8 | -2.1 | 109.5 | G217 S221 | G217-R219 PolarHBondContact O-N 3.08Å; R219-S221 PolarHBondContact O-N 2.82Å |
| 220 | Q | 42.4 | Very low | 60.6 | Low | 197 Ų | 197 | 77.3 Ų | 77.3 | 92% | 0.921 | 43% | 0.428 | S | S | * | . | trans | -53.1 | 109.7 | 164.5 | -74.9 | 176.4 | -10.4 | 0 | 0 | 107.1 | K222 | Q220-K222 PolarHBondContact O-N 3.09Š| ||
| 221 | S | 51.1 | Low | 62.8 | Low | 36 Ų | 36 | 76 Ų | 76 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | trans | -58.5 | 128.9 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | R219 F223 A224 | R219-S221 PolarHBondContact O-N 2.82Å; S221-F223 PolarHBondContact O-N 2.99Å; S221-F223 PolarHBondContact OG-N 3.39Å; S221-A224 PolarHBondContact O-N 3.08Å; S221-A224 VanDerWaalsContact O-N 3.14Å | ||
| 222 | K | 53.8 | Low | 65 | Low | 187 Ų | 187 | 71.8 Ų | 71.8 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.3 | 174 | -160.6 | -179 | 179.6 | -171.2 | 0 | 111.5 | Q220 | Q220-K222 PolarHBondContact O-N 3.09Š|
| 223 | F | 61.7 | Low | 67.3 | Low | 35 Ų | 35 | 67.2 Ų | 67.2 | 15% | 0.154 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 23.8 | -175 | -58.2 | -76.3 | 0 | 0 | 0 | 112.9 | S171 T172 T201 D210 S221 | S171-F223 WeakPolarHBondContact CB-O 3.49Å; S171-F223 PolarHBondContact OG-O 3.31Å; T172-F223 HydrophobicContact CG2-CD1 4.15Å; T172-F223 WeakPolarHBondContact OG1-CB 3.24Å; T201-F223 HydrophobicContact CG2-CE1 4.28Å; D210-F223 HydrophobicContact CB-CD2 3.7Å; D210-F223 HydrophobicContact CB-CE2 4.04Å; D210-F223 HydrophobicContact CB-CG 4.5Å; D210-F223 VanDerWaalsContact OD1-CD2 3.23Å; D210-F223 WeakPolarHBondContact OD1-CD2 3.22Å; D210-F223 WeakPolarHBondContact OD1-CE2 3.12Å; D210-F223 WeakPolarHBondContact OD2-CE2 3.38Å; S221-F223 PolarHBondContact O-N 2.99Å; S221-F223 PolarHBondContact OG-N 3.39Å |
| 224 | A | 73.9 | Confident | 69.7 | Low | 30 Ų | 30 | 65.9 Ų | 65.9 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | trans | -55.6 | 148.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E214 S221 | E214-A224 WeakPolarHBondContact OE1-CA 3.49Å; E214-A224 WeakPolarHBondContact OE1-CB 3.21Å; S221-A224 PolarHBondContact O-N 3.08Å; S221-A224 VanDerWaalsContact O-N 3.14Å | ||
| 225 | L | 84.4 | Confident | 72.2 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | trans | -63.5 | 140.7 | 171 | -83.5 | 164.6 | 0 | 0 | 0 | 109.1 | C143 E214 M229 | C143-L225 HydrophobicContact CB-CB 3.78Å; E214-L225 PolarHBondContact OE1-N 3.05Å; L225-M229 HydrophobicContact CD2-SD 3.98Å | ||
| 226 | K | 89.6 | Confident | 74.5 | Confident | 114 Ų | 114 | 56 Ų | 56 | 50% | 0.496 | 30% | 0.302 | S | S | . | . | trans | -121.6 | 147.8 | 179.1 | -53.2 | -178.6 | 179.6 | 176.6 | 0 | 110.6 | C143 E228 M229 | C143-K226 VanDerWaalsContact SG-C 3.58Å; K226-E228 VanDerWaalsContact CB-OE2 3.22Å; K226-E228 WeakPolarHBondContact CB-OE2 3Å; K226-E228 PolarHBondContact O-N 3.42Å; K226-M229 HydrophobicContact CB-CE 4.21Å; K226-M229 HydrophobicContact CB-CG 4.31Å; K226-M229 HydrophobicContact CB-SD 4.41Å; K226-M229 HydrophobicContact CD-CE 4.25Å; K226-M229 HydrophobicContact CG-CE 3.98Å; K226-M229 VanDerWaalsContact O-CB 3.27Å; K226-M229 WeakPolarHBondContact O-CB 3.46Å; K226-M229 PolarHBondContact O-N 2.85Å | ||
| 227 | H | 92.6 | Very high | 77.1 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.1 | -34.9 | 179.8 | -64.4 | -56.2 | 0 | 0 | 0 | 112.5 | H138 D141 C143 M229 D230 I231 | H138-H227 AromaticContact CD2-CG 3.75Å; H138-H227 AromaticContact CD2-ND1 3.35Å; H138-H227 PolarHBondContact CD2-ND1 3.08Å; H138-H227 VanDerWaalsContact CD2-ND1 3.35Å; H138-H227 AromaticContact NE2-ND1 3.94Å; D141-H227 IonicContact OD1-CE1 3.84Å; D141-H227 IonicContact OD1-NE2 2.69Å; D141-H227 PolarHBondContact OD1-NE2 3.01Å; C143-H227 PolarHBondContact SG-ND1 3.36Å; C143-H227 VanDerWaalsContact SG-ND1 3.45Å; H227-M229 PolarHBondContact O-N 3.06Å; H227-D230 PolarHBondContact O-N 3.4Å; H227-D230 VanDerWaalsContact O-N 3.13Å; H227-I231 PolarHBondContact O-N 3.38Å |
| 228 | E | 94.9 | Very high | 79.8 | Confident | 66 Ų | 66 | 51.2 Ų | 51.2 | 31% | 0.308 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.5 | -23.4 | 179 | -57 | 78.5 | -170.9 | 0 | 0 | 112.9 | K226 F232 P288 R291 | K226-E228 VanDerWaalsContact CB-OE2 3.22Å; K226-E228 WeakPolarHBondContact CB-OE2 3Å; K226-E228 PolarHBondContact O-N 3.42Å; E228-F232 PolarHBondContact O-N 3.25Å; E228-P288 HydrophobicContact CB-CB 3.93Å; E228-P288 HydrophobicContact CG-CB 4.41Å; E228-P288 WeakPolarHBondContact CG-O 3.39Å; E228-R291 WeakPolarHBondContact O-CD 3.48Å; E228-R291 PolarHBondContact O-NH1 3.03Å |
| 229 | M | 94 | Very high | 82.3 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.7 | -36.1 | 175.7 | -58.9 | 173.8 | -179.7 | 0 | 0 | 111.3 | A196 E198 R199 L225 K226 H227 F232 S233 | A196-M229 HydrophobicContact CB-CB 3.92Å; A196-M229 HydrophobicContact CB-CG 4.16Å; E198-M229 HydrophobicContact CG-CE 3.98Å; E198-M229 HydrophobicContact CG-CG 4.29Å; E198-M229 WeakPolarHBondContact OE1-CG 3.49Å; R199-M229 HydrophobicContact CG-CE 4.15Å; R199-M229 HydrophobicContact CG-CG 4.21Å; R199-M229 HydrophobicContact CG-SD 3.57Å; R199-M229 VanDerWaalsContact CG-SD 3.57Å; L225-M229 HydrophobicContact CD2-SD 3.98Å; K226-M229 HydrophobicContact CB-CE 4.21Å; K226-M229 HydrophobicContact CB-CG 4.31Å; K226-M229 HydrophobicContact CB-SD 4.41Å; K226-M229 HydrophobicContact CD-CE 4.25Å; K226-M229 HydrophobicContact CG-CE 3.98Å; K226-M229 VanDerWaalsContact O-CB 3.27Å; K226-M229 WeakPolarHBondContact O-CB 3.46Å; K226-M229 PolarHBondContact O-N 2.85Å; H227-M229 PolarHBondContact O-N 3.06Å; M229-F232 PolarHBondContact O-N 2.63Å; M229-S233 PolarHBondContact O-N 3.18Å; M229-S233 VanDerWaalsContact O-N 3.16Å; M229-S233 PolarHBondContact O-OG 3.04Å |
| 230 | D | 95.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.5 | -34.4 | 176.7 | -75.7 | -29.7 | 0 | 0 | 0 | 111.4 | L134 C143 H144 G145 I147 H227 F232 S233 L234 | L134-D230 HydrophobicContact CD2-CB 4.07Å; C143-D230 VanDerWaalsContact CA-OD2 3.26Å; C143-D230 WeakPolarHBondContact CA-OD2 3.46Å; H144-D230 PolarHBondContact N-OD2 3.31Å; G145-D230 WeakPolarHBondContact CA-OD1 3.31Å; G145-D230 PolarHBondContact N-OD1 3.25Å; I147-D230 HydrophobicContact CD1-CB 3.71Å; H227-D230 PolarHBondContact O-N 3.4Å; H227-D230 VanDerWaalsContact O-N 3.13Å; D230-F232 PolarHBondContact O-N 2.63Å; D230-S233 PolarHBondContact O-N 3.03Å; D230-L234 WeakPolarHBondContact O-CB 3.43Å; D230-L234 PolarHBondContact O-N 2.98Å |
| 231 | I | 97.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 172.4 | -65.1 | -68 | 0 | 0 | 0 | 111.5 | L134 H227 L234 G235 M283 R291 P292 A294 | L134-I231 HydrophobicContact CD1-CD1 3.79Å; H227-I231 PolarHBondContact O-N 3.38Å; I231-L234 PolarHBondContact O-N 3.07Å; I231-G235 PolarHBondContact O-N 2.95Å; I231-M283 HydrophobicContact CG2-CB 4.06Å; I231-M283 HydrophobicContact CG2-CE 4.41Å; I231-M283 HydrophobicContact CG2-CG 4.03Å; I231-R291 HydrophobicContact CG2-CB 4.03Å; I231-P292 WeakPolarHBondContact CG2-O 3.41Å; I231-A294 HydrophobicContact CD1-CB 4.07Å |
| 232 | F | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 175 | -178.9 | -81.1 | 0 | 0 | 0 | 111.7 | I195 A196 P197 E228 M229 D230 L234 G235 C236 F249 L254 Y257 M283 I284 | I195-F232 WeakPolarHBondContact O-CE1 3.31Å; A196-F232 VanDerWaalsContact CA-CD1 3.46Å; A196-F232 HydrophobicContact CB-CB 3.9Å; A196-F232 HydrophobicContact CB-CD1 4.02Å; A196-F232 HydrophobicContact CB-CG 3.98Å; P197-F232 HydrophobicContact CG-CE2 3.91Å; P197-F232 HydrophobicContact CG-CZ 4Å; E228-F232 PolarHBondContact O-N 3.25Å; M229-F232 PolarHBondContact O-N 2.63Å; D230-F232 PolarHBondContact O-N 2.63Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 3.13Å; F232-G235 PolarHBondContact O-N 3.26Å; F232-G235 VanDerWaalsContact O-N 3.14Å; F232-C236 WeakPolarHBondContact CE1-SG 3.36Å; F232-C236 PolarHBondContact O-N 2.8Å; F232-C236 PolarHBondContact O-SG 3.29Å; F232-C236 VanDerWaalsContact O-SG 3.39Å; F232-F249 HydrophobicContact CE1-CE2 4.41Å; F232-F249 HydrophobicContact CZ-CD2 4.23Å; F232-F249 AromaticContact CZ-CE2 3.71Å; F232-F249 HydrophobicContact CZ-CE2 3.71Å; F232-F249 HydrophobicContact CZ-CZ 4.41Å; F232-L254 HydrophobicContact CE1-CD1 4.03Å; F232-L254 HydrophobicContact CZ-CD1 3.68Å; F232-Y257 HydrophobicContact CE2-CE1 4.27Å; F232-M283 WeakPolarHBondContact CA-O 3.42Å; F232-I284 HydrophobicContact CD2-CB 4.11Å; F232-I284 HydrophobicContact CE2-CB 3.91Å; F232-I284 WeakPolarHBondContact CE2-O 3.46Å |
| 233 | S | 95.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | -178.9 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | Y194 M229 D230 C236 V237 | Y194-S233 VanDerWaalsContact O-CA 3.23Å; Y194-S233 WeakPolarHBondContact O-CA 3.19Å; Y194-S233 WeakPolarHBondContact O-CB 3.32Å; Y194-S233 PolarHBondContact O-OG 2.91Å; Y194-S233 VanDerWaalsContact O-OG 3.05Å; M229-S233 PolarHBondContact O-N 3.18Å; M229-S233 VanDerWaalsContact O-N 3.16Å; M229-S233 PolarHBondContact O-OG 3.04Å; D230-S233 PolarHBondContact O-N 3.03Å; S233-C236 WeakPolarHBondContact O-CB 3.49Å; S233-C236 PolarHBondContact O-N 3.14Å; S233-V237 PolarHBondContact O-N 3.23Å; S233-V237 VanDerWaalsContact O-N 3.15Å |
| 234 | L | 96.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 173 | 179.5 | 60.3 | 0 | 0 | 0 | 111.8 | L130 L131 L134 D230 I231 F232 C236 V237 L238 M283 | L130-L234 HydrophobicContact CB-CD1 3.65Å; L130-L234 HydrophobicContact CB-CD2 4.23Å; L130-L234 HydrophobicContact CD1-CD1 3.7Å; L130-L234 HydrophobicContact CG-CD1 4.16Å; L131-L234 HydrophobicContact CD2-CD2 3.79Å; L131-L234 HydrophobicContact CG-CD2 4.23Å; L134-L234 HydrophobicContact CD1-CB 3.91Å; L134-L234 HydrophobicContact CD1-CD2 3.47Å; L134-L234 VanDerWaalsContact CD1-CD2 3.47Å; L134-L234 HydrophobicContact CD1-CG 4.31Å; L134-L234 HydrophobicContact CG-CD2 4.12Å; D230-L234 WeakPolarHBondContact O-CB 3.43Å; D230-L234 PolarHBondContact O-N 2.98Å; I231-L234 PolarHBondContact O-N 3.07Å; F232-L234 VanDerWaalsContact C-N 3.34Å; F232-L234 PolarHBondContact O-N 3.13Å; L234-C236 PolarHBondContact O-N 2.97Å; L234-V237 HydrophobicContact CD1-CB 4.42Å; L234-V237 WeakPolarHBondContact O-CB 3.48Å; L234-V237 PolarHBondContact O-N 3.24Å; L234-L238 HydrophobicContact CD1-CD2 4.15Å; L234-L238 HydrophobicContact CD1-CG 4.08Å; L234-L238 HydrophobicContact CG-CD1 4.33Å; L234-L238 HydrophobicContact CG-CG 4.17Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 2.93Å; L234-M283 HydrophobicContact CB-CE 4.02Å; L234-M283 HydrophobicContact CD2-CE 3.85Å; L234-M283 HydrophobicContact CG-CE 3.75Å |
| 235 | G | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.2 | -39.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I231 F232 L238 L239 | I231-G235 PolarHBondContact O-N 2.95Å; F232-G235 PolarHBondContact O-N 3.26Å; F232-G235 VanDerWaalsContact O-N 3.14Å; G235-L238 PolarHBondContact O-N 3.06Å; G235-L239 PolarHBondContact O-N 3.27Å |
| 236 | C | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 174.3 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | Y194 F232 S233 L234 L239 E240 P248 | Y194-C236 HydrophobicContact CD1-CB 3.75Å; F232-C236 WeakPolarHBondContact CE1-SG 3.36Å; F232-C236 PolarHBondContact O-N 2.8Å; F232-C236 PolarHBondContact O-SG 3.29Å; F232-C236 VanDerWaalsContact O-SG 3.39Å; S233-C236 WeakPolarHBondContact O-CB 3.49Å; S233-C236 PolarHBondContact O-N 3.14Å; L234-C236 PolarHBondContact O-N 2.97Å; C236-L239 PolarHBondContact O-N 2.86Å; C236-E240 PolarHBondContact O-N 3.11Å; C236-E240 VanDerWaalsContact O-N 3.08Å; C236-P248 HydrophobicContact CB-CG 3.6Å |
| 237 | V | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L108 L130 I147 T149 V152 Y194 S233 L234 E240 L241 | L108-V237 HydrophobicContact CD2-CG1 3.85Å; L130-V237 HydrophobicContact CD1-CG1 4.21Å; I147-V237 HydrophobicContact CG2-CG2 4.11Å; T149-V237 HydrophobicContact CG2-CG1 4Å; T149-V237 HydrophobicContact CG2-CG2 4.41Å; V152-V237 HydrophobicContact CG2-CG1 4.46Å; Y194-V237 HydrophobicContact CD1-CG2 3.97Å; Y194-V237 HydrophobicContact CE1-CG2 4.18Å; S233-V237 PolarHBondContact O-N 3.23Å; S233-V237 VanDerWaalsContact O-N 3.15Å; L234-V237 HydrophobicContact CD1-CB 4.42Å; L234-V237 WeakPolarHBondContact O-CB 3.48Å; L234-V237 PolarHBondContact O-N 3.24Å; V237-E240 PolarHBondContact O-N 2.93Å; V237-L241 WeakPolarHBondContact O-CB 3.29Å; V237-L241 PolarHBondContact O-N 3.43Å |
| 238 | L | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 177.5 | -64.7 | -171.6 | 0 | 0 | 0 | 111.5 | A127 L130 L234 G235 E240 L241 F242 M279 I280 M283 | A127-L238 HydrophobicContact CB-CD1 4.4Å; A127-L238 HydrophobicContact CB-CD2 3.49Å; A127-L238 VanDerWaalsContact CB-CD2 3.49Å; L130-L238 HydrophobicContact CD1-CD2 4.2Å; L234-L238 HydrophobicContact CD1-CD2 4.15Å; L234-L238 HydrophobicContact CD1-CG 4.08Å; L234-L238 HydrophobicContact CG-CD1 4.33Å; L234-L238 HydrophobicContact CG-CG 4.17Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 2.93Å; G235-L238 PolarHBondContact O-N 3.06Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-E240 PolarHBondContact O-N 2.88Å; L238-L241 HydrophobicContact CD2-CD2 4.23Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.36Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.34Å; L238-F242 PolarHBondContact O-N 3.09Å; L238-F242 VanDerWaalsContact O-N 3.11Å; L238-M279 HydrophobicContact CD1-CE 3.95Å; L238-I280 HydrophobicContact CB-CD1 4.06Å; L238-I280 HydrophobicContact CB-CG1 4.16Å; L238-M283 HydrophobicContact CD1-CE 3.98Å; L238-M283 HydrophobicContact CD1-SD 4.01Å |
| 239 | L | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.9 | -168.6 | 63.8 | 0 | 0 | 0 | 111.5 | G235 C236 L241 F242 C243 P248 A267 L268 L271 I280 | G235-L239 PolarHBondContact O-N 3.27Å; C236-L239 PolarHBondContact O-N 2.86Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L239-L241 PolarHBondContact O-N 3.03Å; L239-F242 PolarHBondContact O-N 3.13Å; L239-C243 VanDerWaalsContact O-CB 3.29Å; L239-C243 WeakPolarHBondContact O-CB 3.41Å; L239-C243 PolarHBondContact O-N 3.29Å; L239-P248 HydrophobicContact CD2-CB 3.63Å; L239-P248 HydrophobicContact CD2-CG 4.34Å; L239-A267 HydrophobicContact CD1-CB 4.36Å; L239-A267 HydrophobicContact CD2-CB 3.48Å; L239-A267 VanDerWaalsContact CD2-CB 3.48Å; L239-A267 HydrophobicContact CG-CB 4.05Å; L239-L268 HydrophobicContact CD1-CD2 4.1Å; L239-L271 HydrophobicContact CD1-CD1 3.63Å; L239-L271 HydrophobicContact CD1-CD2 4.09Å; L239-L271 HydrophobicContact CD1-CG 3.89Å; L239-I280 HydrophobicContact CB-CG2 4.05Å; L239-I280 HydrophobicContact CD1-CG2 4.15Å |
| 240 | E | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.1 | -172.3 | 179.2 | 179.9 | 0 | 0 | 112.5 | T149 R190 Y194 C236 V237 L238 N245 | T149-E240 HydrophobicContact CG2-CG 4.37Å; T149-E240 VanDerWaalsContact CG2-OE2 3.26Å; T149-E240 WeakPolarHBondContact CG2-OE2 3.4Å; T149-E240 PolarHBondContact OG1-OE2 3.34Å; R190-E240 IonicContact CZ-OE1 3.79Å; R190-E240 VanDerWaalsContact CZ-OE1 3.28Å; R190-E240 IonicContact NH1-OE1 3.9Å; R190-E240 PolarHBondContact NH1-OE1 2.93Å; R190-E240 IonicContact NH2-OE1 3.98Å; R190-E240 PolarHBondContact NH2-OE1 3.29Å; Y194-E240 WeakPolarHBondContact CE1-OE2 3.19Å; Y194-E240 VanDerWaalsContact CZ-OE2 3.27Å; Y194-E240 PolarHBondContact OH-OE1 3.48Å; Y194-E240 PolarHBondContact OH-OE2 3.41Å; C236-E240 PolarHBondContact O-N 3.11Å; C236-E240 VanDerWaalsContact O-N 3.08Å; V237-E240 PolarHBondContact O-N 2.93Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-E240 PolarHBondContact O-N 2.88Å; E240-N245 PolarHBondContact O-N 3.29Å; E240-N245 VanDerWaalsContact O-N 3.17Å |
| 241 | L | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.8 | 174.1 | 57.8 | 0 | 0 | 0 | 112.6 | L108 L112 L118 K123 I126 A127 V237 L238 L239 | L108-L241 HydrophobicContact CD1-CD1 3.92Å; L112-L241 HydrophobicContact CD2-CD1 3.77Å; L118-L241 HydrophobicContact CD1-CD1 4.09Å; K123-L241 HydrophobicContact CB-CD1 4.15Å; K123-L241 HydrophobicContact CB-CD2 4.39Å; K123-L241 HydrophobicContact CB-CG 4.09Å; K123-L241 HydrophobicContact CD-CD1 4.43Å; K123-L241 WeakPolarHBondContact CD-O 3.44Å; K123-L241 WeakPolarHBondContact CE-O 3.24Å; K123-L241 HydrophobicContact CG-CD1 3.83Å; K123-L241 HydrophobicContact CG-CG 4.21Å; K123-L241 PolarHBondContact NZ-O 2.84Å; I126-L241 HydrophobicContact CB-CD2 4.3Å; I126-L241 HydrophobicContact CG2-CD2 4.06Å; A127-L241 HydrophobicContact CB-CD2 4.48Å; V237-L241 WeakPolarHBondContact O-CB 3.29Å; V237-L241 PolarHBondContact O-N 3.43Å; L238-L241 HydrophobicContact CD2-CD2 4.23Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.36Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L239-L241 PolarHBondContact O-N 3.03Å |
| 242 | F | 92.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 22 Ų | 22 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -90.3 | -13.7 | -176.9 | -73.6 | -80 | 0 | 0 | 0 | 114 | K123 R124 A127 L238 L239 L271 L276 | K123-F242 HydrophobicContact CB-CD1 4.02Å; K123-F242 HydrophobicContact CB-CE1 3.48Å; K123-F242 VanDerWaalsContact CB-CE1 3.48Å; K123-F242 HydrophobicContact CB-CZ 3.77Å; K123-F242 HydrophobicContact CD-CD1 4.04Å; K123-F242 HydrophobicContact CD-CE1 4.33Å; R124-F242 HydrophobicContact CG-CE1 4.12Å; R124-F242 HydrophobicContact CG-CZ 3.95Å; A127-F242 HydrophobicContact CB-CE2 4.12Å; A127-F242 HydrophobicContact CB-CZ 4.46Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.34Å; L238-F242 PolarHBondContact O-N 3.09Å; L238-F242 VanDerWaalsContact O-N 3.11Å; L239-F242 PolarHBondContact O-N 3.13Å; F242-L271 HydrophobicContact CB-CD2 3.47Å; F242-L271 VanDerWaalsContact CB-CD2 3.47Å; F242-L271 HydrophobicContact CG-CD2 4.46Å; F242-L276 HydrophobicContact CB-CD2 4.14Å; F242-L276 HydrophobicContact CD1-CD2 3.6Å; F242-L276 HydrophobicContact CD2-CD1 4.06Å; F242-L276 HydrophobicContact CD2-CD2 3.84Å; F242-L276 HydrophobicContact CD2-CG 4.45Å; F242-L276 HydrophobicContact CE1-CD2 3.85Å; F242-L276 HydrophobicContact CE2-CD1 3.86Å; F242-L276 HydrophobicContact CE2-CD2 4.09Å; F242-L276 HydrophobicContact CG-CD2 3.6Å; F242-L276 HydrophobicContact CZ-CD1 4.27Å; F242-L276 HydrophobicContact CZ-CD2 4.09Å |
| 243 | C | 88 | Confident | 88.5 | Confident | 20 Ų | 20 | 24.9 Ų | 24.9 | 14% | 0.135 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 33.5 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | L239 N245 A246 A267 | L239-C243 VanDerWaalsContact O-CB 3.29Å; L239-C243 WeakPolarHBondContact O-CB 3.41Å; L239-C243 PolarHBondContact O-N 3.29Å; C243-N245 PolarHBondContact O-N 3.47Å; C243-A246 HydrophobicContact CB-CB 4.08Å; C243-A246 VanDerWaalsContact O-CB 3.25Å; C243-A246 WeakPolarHBondContact O-CB 3.35Å; C243-A246 PolarHBondContact O-N 2.87Å; C243-A246 VanDerWaalsContact O-N 3.08Å; C243-A267 PolarHBondContact SG-O 3.1Å |
| 244 | D | 74.3 | Confident | 88.3 | Confident | 122 Ų | 122 | 24.7 Ų | 24.7 | 65% | 0.652 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 58.8 | 171.4 | -60.2 | -28.7 | 0 | 0 | 0 | 114.5 | K123 A246 | K123-D244 IonicContact NZ-OD1 3.65Å; K123-D244 PolarHBondContact NZ-OD1 3.12Å; D244-A246 VanDerWaalsContact C-N 3.32Å; D244-A246 PolarHBondContact O-N 3.19Å |
| 245 | N | 72.8 | Confident | 88 | Confident | 56 Ų | 56 | 26.3 Ų | 26.3 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 12.2 | 179.3 | -61.8 | -43.1 | 0 | 0 | 0 | 116.1 | L112 E240 C243 S247 | L112-N245 VanDerWaalsContact CB-OD1 3.27Å; L112-N245 WeakPolarHBondContact CB-OD1 3.22Å; L112-N245 WeakPolarHBondContact CD1-OD1 3.31Å; E240-N245 PolarHBondContact O-N 3.29Å; E240-N245 VanDerWaalsContact O-N 3.17Å; C243-N245 PolarHBondContact O-N 3.47Å; N245-S247 PolarHBondContact O-N 3.48Å; N245-S247 VanDerWaalsContact O-N 3.11Å |
| 246 | A | 77.5 | Confident | 87.7 | Confident | 45 Ų | 45 | 27.5 Ų | 27.5 | 37% | 0.372 | 16% | 0.163 | S | C | . | . | trans | -76.1 | 95 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C243 D244 | C243-A246 HydrophobicContact CB-CB 4.08Å; C243-A246 VanDerWaalsContact O-CB 3.25Å; C243-A246 WeakPolarHBondContact O-CB 3.35Å; C243-A246 PolarHBondContact O-N 2.87Å; C243-A246 VanDerWaalsContact O-N 3.08Å; D244-A246 VanDerWaalsContact C-N 3.32Å; D244-A246 PolarHBondContact O-N 3.19Å | ||
| 247 | S | 77.7 | Confident | 87.6 | Confident | 32 Ų | 32 | 28.2 Ų | 28.2 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | trans | -60.9 | 136.9 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | T192 N245 F249 | T192-S247 WeakPolarHBondContact CB-OG 3.2Å; T192-S247 VanDerWaalsContact CG2-OG 3.25Å; T192-S247 WeakPolarHBondContact CG2-OG 3.37Å; N245-S247 PolarHBondContact O-N 3.48Å; N245-S247 VanDerWaalsContact O-N 3.11Å; S247-F249 PolarHBondContact O-N 3.14Å; S247-F249 PolarHBondContact OG-O 3.28Å | ||
| 248 | P | 77.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -64.4 | -40.3 | -178.5 | 19 | -29.5 | 0 | 0 | 0 | 114 | C236 L239 | C236-P248 HydrophobicContact CB-CG 3.6Å; L239-P248 HydrophobicContact CD2-CB 3.63Å; L239-P248 HydrophobicContact CD2-CG 4.34Å |
| 249 | F | 90.2 | Very high | 87 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 21% | 0.209 | C | C | . | . | trans | -136.8 | 136.4 | -169.9 | -56.9 | -72.3 | 0 | 0 | 0 | 111.2 | C193 F232 S247 Q253 L254 Y257 Y262 P264 | C193-F249 HydrophobicContact CB-CB 4.4Å; C193-F249 PolarHBondContact N-O 2.83Å; F232-F249 HydrophobicContact CE1-CE2 4.41Å; F232-F249 HydrophobicContact CZ-CD2 4.23Å; F232-F249 AromaticContact CZ-CE2 3.71Å; F232-F249 HydrophobicContact CZ-CE2 3.71Å; F232-F249 HydrophobicContact CZ-CZ 4.41Å; S247-F249 PolarHBondContact O-N 3.14Å; S247-F249 PolarHBondContact OG-O 3.28Å; F249-Q253 HydrophobicContact CD1-CB 4.22Å; F249-L254 HydrophobicContact CB-CB 4.07Å; F249-L254 HydrophobicContact CB-CD1 4.45Å; F249-L254 HydrophobicContact CD1-CB 4.48Å; F249-L254 HydrophobicContact CD1-CD1 4.33Å; F249-L254 HydrophobicContact CD2-CD1 3.97Å; F249-L254 HydrophobicContact CE2-CD1 4.29Å; F249-L254 HydrophobicContact CG-CB 4.32Å; F249-L254 HydrophobicContact CG-CD1 4.01Å; F249-Y257 HydrophobicContact CE1-CD1 4.26Å; F249-Y257 AromaticContact CE1-CD2 3.83Å; F249-Y257 HydrophobicContact CE1-CD2 3.83Å; F249-Y257 AromaticContact CE1-CG 3.7Å; F249-Y257 HydrophobicContact CE1-CG 3.7Å; F249-Y257 HydrophobicContact CZ-CD1 4.06Å; F249-Y257 HydrophobicContact CZ-CD2 4.01Å; F249-Y257 HydrophobicContact CZ-CE1 4.35Å; F249-Y257 HydrophobicContact CZ-CE2 4.33Å; F249-Y257 AromaticContact CZ-CG 3.91Å; F249-Y257 HydrophobicContact CZ-CG 3.91Å; F249-Y262 HydrophobicContact CD1-CD1 4.05Å; F249-Y262 AromaticContact CD1-CE1 3.67Å; F249-Y262 HydrophobicContact CD1-CE1 3.67Å; F249-Y262 AromaticContact CE1-CD1 3.83Å; F249-Y262 HydrophobicContact CE1-CD1 3.83Å; F249-Y262 AromaticContact CE1-CE1 3.61Å; F249-Y262 HydrophobicContact CE1-CE1 3.61Å; F249-P264 HydrophobicContact CE1-CB 4.15Å; F249-P264 HydrophobicContact CE1-CG 3.97Å; F249-P264 HydrophobicContact CZ-CB 4.22Å; F249-P264 HydrophobicContact CZ-CG 3.68Å | ||
| 250 | D | 89.1 | Confident | 86.7 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -87.5 | 172.7 | 146.6 | 69.9 | 42.1 | 0 | 0 | 0 | 110.6 | R191 S252 Q253 L254 | R191-D250 VanDerWaalsContact O-CA 3.28Å; R191-D250 WeakPolarHBondContact O-CA 3.32Å; R191-D250 WeakPolarHBondContact O-CB 3.47Å; D250-S252 VanDerWaalsContact C-N 3.25Å; D250-S252 PolarHBondContact O-N 3.34Å; D250-S252 WeakPolarHBondContact OD1-CA 3.36Å; D250-S252 WeakPolarHBondContact OD1-CB 3.49Å; D250-S252 PolarHBondContact OD1-N 3.19Å; D250-S252 PolarHBondContact OD1-OG 3.04Å; D250-Q253 PolarHBondContact O-N 3.44Å; D250-Q253 WeakPolarHBondContact OD1-CG 3.24Å; D250-Q253 PolarHBondContact OD1-N 3.27Å; D250-L254 PolarHBondContact O-N 3.06Å | ||
| 251 | L | 87.2 | Confident | 86.6 | Confident | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.8 | -40 | -179.8 | 179.3 | 65.3 | 0 | 0 | 0 | 112.4 | P178 F181 F200 L254 L255 | P178-L251 HydrophobicContact CB-CD2 3.61Å; F181-L251 HydrophobicContact CB-CD1 4.4Å; F181-L251 HydrophobicContact CB-CD2 4.36Å; F181-L251 HydrophobicContact CD1-CB 4.21Å; F181-L251 HydrophobicContact CD1-CD1 4.04Å; F181-L251 HydrophobicContact CD1-CD2 3.67Å; F181-L251 HydrophobicContact CD1-CG 4.19Å; F181-L251 HydrophobicContact CD2-CD1 4.08Å; F181-L251 HydrophobicContact CE1-CB 3.93Å; F181-L251 HydrophobicContact CE1-CD1 4.35Å; F181-L251 HydrophobicContact CE1-CD2 4.25Å; F181-L251 HydrophobicContact CE1-CG 4.4Å; F181-L251 HydrophobicContact CE2-CD1 4.42Å; F181-L251 HydrophobicContact CG-CD1 3.88Å; F181-L251 HydrophobicContact CG-CD2 4.1Å; F181-L251 HydrophobicContact CG-CG 4.49Å; F181-L251 HydrophobicContact CZ-CB 4.39Å; F200-L251 HydrophobicContact CE1-CD1 3.66Å; F200-L251 HydrophobicContact CZ-CD1 3.59Å; L251-L254 PolarHBondContact O-N 3.27Å; L251-L255 HydrophobicContact CD1-CD1 4.39Å; L251-L255 HydrophobicContact CD1-CG 4.45Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.17Å; L251-L255 PolarHBondContact O-N 3.43Å; L251-L255 VanDerWaalsContact O-N 3.07Å |
| 252 | S | 88.5 | Confident | 86.5 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | -177.3 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | D250 L255 A256 | D250-S252 VanDerWaalsContact C-N 3.25Å; D250-S252 PolarHBondContact O-N 3.34Å; D250-S252 WeakPolarHBondContact OD1-CA 3.36Å; D250-S252 WeakPolarHBondContact OD1-CB 3.49Å; D250-S252 PolarHBondContact OD1-N 3.19Å; D250-S252 PolarHBondContact OD1-OG 3.04Å; S252-L255 PolarHBondContact O-N 2.92Å; S252-A256 WeakPolarHBondContact O-CB 2.98Å; S252-A256 PolarHBondContact O-N 3.39Å |
| 253 | Q | 91.1 | Very high | 86.2 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 175.5 | -71.6 | 171.9 | -15.2 | 0 | 0 | 111.2 | F249 D250 A256 Y257 Y262 | F249-Q253 HydrophobicContact CD1-CB 4.22Å; D250-Q253 PolarHBondContact O-N 3.44Å; D250-Q253 WeakPolarHBondContact OD1-CG 3.24Å; D250-Q253 PolarHBondContact OD1-N 3.27Å; Q253-A256 PolarHBondContact O-N 3.39Å; Q253-Y257 VanDerWaalsContact O-CB 3.31Å; Q253-Y257 WeakPolarHBondContact O-CB 3.48Å; Q253-Y257 PolarHBondContact O-N 3.1Å; Q253-Y262 HydrophobicContact CB-CD1 4.01Å; Q253-Y262 HydrophobicContact CB-CE1 3.87Å; Q253-Y262 HydrophobicContact CB-CG 4.43Å; Q253-Y262 HydrophobicContact CG-CE1 4.31Å; Q253-Y262 HydrophobicContact CG-CE2 4.18Å; Q253-Y262 WeakPolarHBondContact O-CD1 3.49Å |
| 254 | L | 91.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 176.1 | -173.5 | 71.7 | 0 | 0 | 0 | 112 | C193 I195 P197 F200 F232 F249 D250 L251 A256 Y257 R258 | C193-L254 HydrophobicContact CB-CD2 4.35Å; C193-L254 WeakPolarHBondContact SG-CD2 3.32Å; I195-L254 WeakPolarHBondContact O-CD2 3.49Å; P197-L254 HydrophobicContact CG-CD1 3.97Å; F200-L254 HydrophobicContact CD2-CD2 4.27Å; F200-L254 HydrophobicContact CE2-CD2 3.47Å; F200-L254 VanDerWaalsContact CE2-CD2 3.47Å; F200-L254 HydrophobicContact CZ-CD2 4.18Å; F232-L254 HydrophobicContact CE1-CD1 4.03Å; F232-L254 HydrophobicContact CZ-CD1 3.68Å; F249-L254 HydrophobicContact CB-CB 4.07Å; F249-L254 HydrophobicContact CB-CD1 4.45Å; F249-L254 HydrophobicContact CD1-CB 4.48Å; F249-L254 HydrophobicContact CD1-CD1 4.33Å; F249-L254 HydrophobicContact CD2-CD1 3.97Å; F249-L254 HydrophobicContact CE2-CD1 4.29Å; F249-L254 HydrophobicContact CG-CB 4.32Å; F249-L254 HydrophobicContact CG-CD1 4.01Å; D250-L254 PolarHBondContact O-N 3.06Å; L251-L254 PolarHBondContact O-N 3.27Å; L254-A256 VanDerWaalsContact C-N 3.31Å; L254-A256 PolarHBondContact O-N 3.46Å; L254-Y257 WeakPolarHBondContact O-CB 3.47Å; L254-Y257 PolarHBondContact O-N 2.87Å; L254-R258 PolarHBondContact O-N 3.12Å |
| 255 | L | 90.1 | Very high | 86.8 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 175.9 | -68.9 | 175.3 | 0 | 0 | 0 | 111.5 | F200 L251 S252 R258 Q259 | F200-L255 HydrophobicContact CB-CD2 4.35Å; F200-L255 HydrophobicContact CD1-CD2 4.1Å; F200-L255 HydrophobicContact CG-CD2 4.05Å; L251-L255 HydrophobicContact CD1-CD1 4.39Å; L251-L255 HydrophobicContact CD1-CG 4.45Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.17Å; L251-L255 PolarHBondContact O-N 3.43Å; L251-L255 VanDerWaalsContact O-N 3.07Å; S252-L255 PolarHBondContact O-N 2.92Å; L255-R258 WeakPolarHBondContact O-CB 3.41Å; L255-R258 PolarHBondContact O-N 3Å; L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 2.78Å |
| 256 | A | 90.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S252 Q253 L254 R258 Q259 G260 M261 Y262 | S252-A256 WeakPolarHBondContact O-CB 2.98Å; S252-A256 PolarHBondContact O-N 3.39Å; Q253-A256 PolarHBondContact O-N 3.39Å; L254-A256 VanDerWaalsContact C-N 3.31Å; L254-A256 PolarHBondContact O-N 3.46Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 3.5Å; A256-Q259 CarbonylContact O-C 3.54Å; A256-Q259 PolarHBondContact O-N 3.35Å; A256-Q259 VanDerWaalsContact O-N 3.12Å; A256-G260 PolarHBondContact O-N 2.94Å; A256-M261 HydrophobicContact CB-CB 4.4Å; A256-M261 PolarHBondContact O-N 2.81Å; A256-Y262 PolarHBondContact O-N 2.92Å |
| 257 | Y | 92 | Very high | 87.7 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.2 | -175.6 | -106.1 | 0 | 0 | 0 | 110.5 | P197 F232 F249 Q253 L254 Q259 G260 Y262 H263 I284 L286 | P197-Y257 HydrophobicContact CG-CD1 4.12Å; P197-Y257 HydrophobicContact CG-CE1 4.47Å; F232-Y257 HydrophobicContact CE2-CE1 4.27Å; F249-Y257 HydrophobicContact CE1-CD1 4.26Å; F249-Y257 AromaticContact CE1-CD2 3.83Å; F249-Y257 HydrophobicContact CE1-CD2 3.83Å; F249-Y257 AromaticContact CE1-CG 3.7Å; F249-Y257 HydrophobicContact CE1-CG 3.7Å; F249-Y257 HydrophobicContact CZ-CD1 4.06Å; F249-Y257 HydrophobicContact CZ-CD2 4.01Å; F249-Y257 HydrophobicContact CZ-CE1 4.35Å; F249-Y257 HydrophobicContact CZ-CE2 4.33Å; F249-Y257 AromaticContact CZ-CG 3.91Å; F249-Y257 HydrophobicContact CZ-CG 3.91Å; Q253-Y257 VanDerWaalsContact O-CB 3.31Å; Q253-Y257 WeakPolarHBondContact O-CB 3.48Å; Q253-Y257 PolarHBondContact O-N 3.1Å; L254-Y257 WeakPolarHBondContact O-CB 3.47Å; L254-Y257 PolarHBondContact O-N 2.87Å; Y257-Q259 PolarHBondContact O-N 3.28Å; Y257-G260 PolarHBondContact O-N 2.63Å; Y257-Y262 HydrophobicContact CD2-CD1 4.47Å; Y257-Y262 WeakPolarHBondContact CD2-O 3.41Å; Y257-H263 AromaticContact CE2-CD2 3.85Å; Y257-I284 PolarHBondContact OH-O 2.66Å; Y257-I284 VanDerWaalsContact OH-O 3.07Å; Y257-L286 HydrophobicContact CD1-CD1 4.26Å; Y257-L286 HydrophobicContact CE1-CB 4.24Å; Y257-L286 HydrophobicContact CE1-CD1 4.21Å |
| 258 | R | 88.9 | Confident | 88.2 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.5 | -172.3 | -174.8 | 171.8 | 179.2 | 11 | 113 | P197 F200 L254 L255 A256 G260 | P197-R258 HydrophobicContact CB-CB 4.06Å; P197-R258 HydrophobicContact CB-CG 4.02Å; F200-R258 VanDerWaalsContact C-NH1 3.26Å; F200-R258 PolarHBondContact O-NH1 3.22Å; F200-R258 PolarHBondContact O-NH2 3.08Å; L254-R258 PolarHBondContact O-N 3.12Å; L255-R258 WeakPolarHBondContact O-CB 3.41Å; L255-R258 PolarHBondContact O-N 3Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 3.5Å; R258-G260 PolarHBondContact O-N 3.39Å |
| 259 | Q | 89.5 | Confident | 88.7 | Confident | 122 Ų | 122 | 58 Ų | 58 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.7 | 178.6 | -66.8 | 172.5 | 2.7 | 0 | 0 | 112.7 | L255 A256 Y257 M261 | L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 2.78Å; A256-Q259 CarbonylContact O-C 3.54Å; A256-Q259 PolarHBondContact O-N 3.35Å; A256-Q259 VanDerWaalsContact O-N 3.12Å; Y257-Q259 PolarHBondContact O-N 3.28Å; Q259-M261 HydrophobicContact CB-CE 3.97Å; Q259-M261 HydrophobicContact CB-CG 4.32Å; Q259-M261 PolarHBondContact O-N 3.49Å |
| 260 | G | 87.3 | Confident | 88.4 | Confident | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 13.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | A256 Y257 R258 | A256-G260 PolarHBondContact O-N 2.94Å; Y257-G260 PolarHBondContact O-N 2.63Å; R258-G260 PolarHBondContact O-N 3.39Å |
| 261 | M | 89.5 | Confident | 88.4 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 70% | 0.695 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -96.4 | -7.5 | -177.1 | -68.9 | -157.7 | -82.5 | 0 | 0 | 114.1 | A256 Q259 | A256-M261 HydrophobicContact CB-CB 4.4Å; A256-M261 PolarHBondContact O-N 2.81Å; Q259-M261 HydrophobicContact CB-CE 3.97Å; Q259-M261 HydrophobicContact CB-CG 4.32Å; Q259-M261 PolarHBondContact O-N 3.49Å |
| 262 | Y | 90.6 | Very high | 88.3 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | trans | -135.6 | 151.4 | 176.5 | 176.4 | -100.2 | 0 | 0 | 0 | 109.7 | F249 Q253 A256 Y257 P264 | F249-Y262 HydrophobicContact CD1-CD1 4.05Å; F249-Y262 AromaticContact CD1-CE1 3.67Å; F249-Y262 HydrophobicContact CD1-CE1 3.67Å; F249-Y262 AromaticContact CE1-CD1 3.83Å; F249-Y262 HydrophobicContact CE1-CD1 3.83Å; F249-Y262 AromaticContact CE1-CE1 3.61Å; F249-Y262 HydrophobicContact CE1-CE1 3.61Å; Q253-Y262 HydrophobicContact CB-CD1 4.01Å; Q253-Y262 HydrophobicContact CB-CE1 3.87Å; Q253-Y262 HydrophobicContact CB-CG 4.43Å; Q253-Y262 HydrophobicContact CG-CE1 4.31Å; Q253-Y262 HydrophobicContact CG-CE2 4.18Å; Q253-Y262 WeakPolarHBondContact O-CD1 3.49Å; A256-Y262 PolarHBondContact O-N 2.92Å; Y257-Y262 HydrophobicContact CD2-CD1 4.47Å; Y257-Y262 WeakPolarHBondContact CD2-O 3.41Å; Y262-P264 HydrophobicContact CE1-CB 4.04Å | ||
| 263 | H | 87.7 | Confident | 88.4 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 35% | 0.352 | 33% | 0.334 | S | S | . | . | trans | -141.5 | 136.6 | 168.1 | -159.3 | -83.5 | 0 | 0 | 0 | 107.7 | Y257 T265 L268 E281 | Y257-H263 AromaticContact CE2-CD2 3.85Å; H263-T265 PolarHBondContact O-N 3.39Å; H263-T265 PolarHBondContact O-OG1 3.18Å; H263-L268 VanDerWaalsContact CE1-CD1 3.49Å; H263-L268 WeakPolarHBondContact CE1-CD1 3.42Å; H263-E281 IonicContact CE1-OE1 2.81Å | ||
| 264 | P | 87.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -76.7 | 48.2 | -177.4 | 33 | -37.3 | 0 | 0 | 0 | 112.4 | F249 Y262 K266 A267 L268 I284 | F249-P264 HydrophobicContact CE1-CB 4.15Å; F249-P264 HydrophobicContact CE1-CG 3.97Å; F249-P264 HydrophobicContact CZ-CB 4.22Å; F249-P264 HydrophobicContact CZ-CG 3.68Å; Y262-P264 HydrophobicContact CE1-CB 4.04Å; P264-K266 VanDerWaalsContact C-N 3.32Å; P264-K266 PolarHBondContact O-N 3.1Å; P264-A267 PolarHBondContact O-N 3.07Å; P264-L268 HydrophobicContact CG-CD1 4.03Å; P264-L268 HydrophobicContact CG-CG 4.43Å; P264-L268 WeakPolarHBondContact O-CG 3.43Å; P264-L268 PolarHBondContact O-N 3.42Å; P264-I284 HydrophobicContact CG-CD1 3.91Å | ||
| 265 | T | 86.2 | Confident | 88.6 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | -173.2 | -32.8 | 0 | 0 | 0 | 0 | 111.6 | H263 A267 L268 D269 | H263-T265 PolarHBondContact O-N 3.39Å; H263-T265 PolarHBondContact O-OG1 3.18Å; T265-A267 VanDerWaalsContact C-N 3.32Å; T265-A267 PolarHBondContact O-N 2.83Å; T265-L268 PolarHBondContact O-N 2.91Å; T265-D269 WeakPolarHBondContact CG2-OD2 3.21Å; T265-D269 VanDerWaalsContact O-CB 3.23Å; T265-D269 WeakPolarHBondContact O-CB 3.46Å; T265-D269 PolarHBondContact O-N 3.32Å |
| 266 | K | 84.5 | Confident | 88.8 | Confident | 191 Ų | 191 | 65.1 Ų | 65.1 | 83% | 0.83 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.4 | -40.2 | 179.1 | -173.4 | -178.7 | 178.2 | -175.5 | 0 | 113 | P264 | P264-K266 VanDerWaalsContact C-N 3.32Å; P264-K266 PolarHBondContact O-N 3.1Å |
| 267 | A | 86.3 | Confident | 88.9 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.7 | -44.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L239 C243 P264 T265 D269 G270 | L239-A267 HydrophobicContact CD1-CB 4.36Å; L239-A267 HydrophobicContact CD2-CB 3.48Å; L239-A267 VanDerWaalsContact CD2-CB 3.48Å; L239-A267 HydrophobicContact CG-CB 4.05Å; C243-A267 PolarHBondContact SG-O 3.1Å; P264-A267 PolarHBondContact O-N 3.07Å; T265-A267 VanDerWaalsContact C-N 3.32Å; T265-A267 PolarHBondContact O-N 2.83Å; A267-D269 VanDerWaalsContact C-N 3.34Å; A267-D269 PolarHBondContact O-N 2.81Å; A267-G270 PolarHBondContact O-N 2.84Å; A267-G270 VanDerWaalsContact O-N 3.08Å |
| 268 | L | 87.7 | Confident | 89.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 177.6 | -71.1 | 169.5 | 0 | 0 | 0 | 113.4 | L239 H263 P264 T265 G270 L271 I280 I284 | L239-L268 HydrophobicContact CD1-CD2 4.1Å; H263-L268 VanDerWaalsContact CE1-CD1 3.49Å; H263-L268 WeakPolarHBondContact CE1-CD1 3.42Å; P264-L268 HydrophobicContact CG-CD1 4.03Å; P264-L268 HydrophobicContact CG-CG 4.43Å; P264-L268 WeakPolarHBondContact O-CG 3.43Å; P264-L268 PolarHBondContact O-N 3.42Å; T265-L268 PolarHBondContact O-N 2.91Å; L268-G270 PolarHBondContact O-N 3.29Å; L268-L271 HydrophobicContact CD2-CD1 4.26Å; L268-L271 WeakPolarHBondContact O-CB 3.42Å; L268-L271 PolarHBondContact O-N 3.3Å; L268-I280 HydrophobicContact CD2-CG2 4.14Å; L268-I284 HydrophobicContact CD1-CD1 4.47Å; L268-I284 HydrophobicContact CD2-CD1 4.3Å |
| 269 | D | 86.9 | Confident | 89.4 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -18.8 | 176 | -67.8 | -18.9 | 0 | 0 | 0 | 112.3 | T265 A267 L271 R277 | T265-D269 WeakPolarHBondContact CG2-OD2 3.21Å; T265-D269 VanDerWaalsContact O-CB 3.23Å; T265-D269 WeakPolarHBondContact O-CB 3.46Å; T265-D269 PolarHBondContact O-N 3.32Å; A267-D269 VanDerWaalsContact C-N 3.34Å; A267-D269 PolarHBondContact O-N 2.81Å; D269-L271 VanDerWaalsContact C-N 3.26Å; D269-L271 PolarHBondContact O-N 2.83Å; D269-R277 IonicContact OD1-CZ 3.49Å; D269-R277 VanDerWaalsContact OD1-CZ 3.23Å; D269-R277 IonicContact OD1-NH1 3.61Å; D269-R277 PolarHBondContact OD1-NH1 2.79Å; D269-R277 IonicContact OD1-NH2 2.83Å; D269-R277 PolarHBondContact OD1-NH2 2.78Å |
| 270 | G | 85.4 | Confident | 89.7 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A267 L268 S272 | A267-G270 PolarHBondContact O-N 2.84Å; A267-G270 VanDerWaalsContact O-N 3.08Å; L268-G270 PolarHBondContact O-N 3.29Å; G270-S272 PolarHBondContact O-N 2.58Å |
| 271 | L | 88.3 | Confident | 90 | Very high | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | trans | -79.7 | 111.9 | 178.8 | -63.1 | 174.3 | 0 | 0 | 0 | 110.8 | L239 F242 L268 D269 C273 L276 R277 I280 | L239-L271 HydrophobicContact CD1-CD1 3.63Å; L239-L271 HydrophobicContact CD1-CD2 4.09Å; L239-L271 HydrophobicContact CD1-CG 3.89Å; F242-L271 HydrophobicContact CB-CD2 3.47Å; F242-L271 VanDerWaalsContact CB-CD2 3.47Å; F242-L271 HydrophobicContact CG-CD2 4.46Å; L268-L271 HydrophobicContact CD2-CD1 4.26Å; L268-L271 WeakPolarHBondContact O-CB 3.42Å; L268-L271 PolarHBondContact O-N 3.3Å; D269-L271 VanDerWaalsContact C-N 3.26Å; D269-L271 PolarHBondContact O-N 2.83Å; L271-C273 VanDerWaalsContact C-N 3.32Å; L271-C273 PolarHBondContact O-N 3.26Å; L271-L276 HydrophobicContact CD2-CD2 4.1Å; L271-L276 HydrophobicContact CD2-CG 4.44Å; L271-R277 HydrophobicContact CB-CB 4.27Å; L271-R277 HydrophobicContact CD1-CB 4.06Å; L271-R277 HydrophobicContact CD1-CG 4.46Å; L271-I280 HydrophobicContact CD1-CB 4.4Å; L271-I280 HydrophobicContact CD1-CD1 3.75Å; L271-I280 HydrophobicContact CD2-CD1 4.22Å | ||
| 272 | S | 85 | Confident | 90.3 | Very high | 125 Ų | 125 | 57 Ų | 57 | 87% | 0.874 | 31% | 0.305 | S | S | * | . | trans | -68.7 | -27.3 | -178.9 | -45.6 | 0 | 0 | 0 | 0 | 113.9 | G270 P274 | G270-S272 PolarHBondContact O-N 2.58Å; S272-P274 WeakPolarHBondContact O-CD 3.43Å | ||
| 273 | C | 90.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | trans | -93.1 | 117.6 | -176.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L271 H275 L276 R277 | L271-C273 VanDerWaalsContact C-N 3.32Å; L271-C273 PolarHBondContact O-N 3.26Å; C273-H275 VanDerWaalsContact C-N 3.34Å; C273-H275 PolarHBondContact O-N 3.48Å; C273-L276 HydrophobicContact CB-CB 3.72Å; C273-L276 HydrophobicContact CB-CD2 4.42Å; C273-L276 WeakPolarHBondContact O-CB 3.18Å; C273-L276 PolarHBondContact O-N 2.87Å; C273-R277 PolarHBondContact O-N 3Å | ||
| 274 | P | 92.2 | Very high | 90.9 | Very high | 98 Ų | 98 | 50 Ų | 50 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -37.9 | -178.5 | -25.3 | 34.7 | 0 | 0 | 0 | 113.9 | S272 R277 D278 | S272-P274 WeakPolarHBondContact O-CD 3.43Å; P274-R277 WeakPolarHBondContact O-CB 3.24Å; P274-R277 PolarHBondContact O-N 2.91Å; P274-D278 WeakPolarHBondContact O-CB 3.19Å; P274-D278 PolarHBondContact O-N 2.82Å |
| 275 | H | 94.5 | Very high | 91.3 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 44% | 0.44 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | 178.1 | -63.3 | -62 | 0 | 0 | 0 | 112.5 | C273 D278 M279 Y301 V305 | C273-H275 VanDerWaalsContact C-N 3.34Å; C273-H275 PolarHBondContact O-N 3.48Å; H275-D278 PolarHBondContact O-N 3.18Å; H275-M279 WeakPolarHBondContact O-CB 3.5Å; H275-M279 PolarHBondContact O-N 2.74Å; H275-Y301 WeakPolarHBondContact O-CE1 3.22Å; H275-V305 HydrophobicContact CB-CG2 3.75Å |
| 276 | L | 93.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 174 | 178.5 | 62.2 | 0 | 0 | 0 | 110.8 | F242 L271 C273 M279 I280 V305 | F242-L276 HydrophobicContact CB-CD2 4.14Å; F242-L276 HydrophobicContact CD1-CD2 3.6Å; F242-L276 HydrophobicContact CD2-CD1 4.06Å; F242-L276 HydrophobicContact CD2-CD2 3.84Å; F242-L276 HydrophobicContact CD2-CG 4.45Å; F242-L276 HydrophobicContact CE1-CD2 3.85Å; F242-L276 HydrophobicContact CE2-CD1 3.86Å; F242-L276 HydrophobicContact CE2-CD2 4.09Å; F242-L276 HydrophobicContact CG-CD2 3.6Å; F242-L276 HydrophobicContact CZ-CD1 4.27Å; F242-L276 HydrophobicContact CZ-CD2 4.09Å; L271-L276 HydrophobicContact CD2-CD2 4.1Å; L271-L276 HydrophobicContact CD2-CG 4.44Å; C273-L276 HydrophobicContact CB-CB 3.72Å; C273-L276 HydrophobicContact CB-CD2 4.42Å; C273-L276 WeakPolarHBondContact O-CB 3.18Å; C273-L276 PolarHBondContact O-N 2.87Å; L276-M279 HydrophobicContact CD1-CE 3.82Å; L276-M279 PolarHBondContact O-N 3.5Å; L276-I280 HydrophobicContact CD1-CD1 3.82Å; L276-I280 HydrophobicContact CD1-CG1 4.29Å; L276-I280 HydrophobicContact CG-CD1 3.98Å; L276-I280 WeakPolarHBondContact O-CG1 3.35Å; L276-I280 PolarHBondContact O-N 3.18Å; L276-V305 HydrophobicContact CB-CG1 4.49Å; L276-V305 HydrophobicContact CB-CG2 4.37Å; L276-V305 HydrophobicContact CD1-CG1 3.92Å |
| 277 | R | 93.7 | Very high | 91.9 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 28% | 0.279 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 172.5 | 179.9 | -174.5 | 177.3 | 135.2 | 4.1 | 111.5 | D269 L271 C273 P274 M279 I280 E281 | D269-R277 IonicContact OD1-CZ 3.49Å; D269-R277 VanDerWaalsContact OD1-CZ 3.23Å; D269-R277 IonicContact OD1-NH1 3.61Å; D269-R277 PolarHBondContact OD1-NH1 2.79Å; D269-R277 IonicContact OD1-NH2 2.83Å; D269-R277 PolarHBondContact OD1-NH2 2.78Å; L271-R277 HydrophobicContact CB-CB 4.27Å; L271-R277 HydrophobicContact CD1-CB 4.06Å; L271-R277 HydrophobicContact CD1-CG 4.46Å; C273-R277 PolarHBondContact O-N 3Å; P274-R277 WeakPolarHBondContact O-CB 3.24Å; P274-R277 PolarHBondContact O-N 2.91Å; R277-M279 VanDerWaalsContact C-N 3.31Å; R277-M279 PolarHBondContact O-N 2.86Å; R277-I280 PolarHBondContact O-N 3.35Å; R277-E281 VanDerWaalsContact O-CB 3.22Å; R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.3Å |
| 278 | D | 94.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 178 | 173.9 | 74.2 | 0 | 0 | 0 | 112.1 | P274 H275 K282 Y301 | P274-D278 WeakPolarHBondContact O-CB 3.19Å; P274-D278 PolarHBondContact O-N 2.82Å; H275-D278 PolarHBondContact O-N 3.18Å; D278-K282 WeakPolarHBondContact O-CB 3.49Å; D278-K282 WeakPolarHBondContact O-CG 3.39Å; D278-K282 PolarHBondContact O-N 3.48Å; D278-K282 VanDerWaalsContact O-N 3.09Å; D278-K282 WeakPolarHBondContact OD1-CE 3.36Å; D278-K282 IonicContact OD1-NZ 3.43Å; D278-K282 PolarHBondContact OD1-NZ 2.65Å; D278-K282 IonicContact OD2-NZ 2.97Å; D278-K282 PolarHBondContact OD2-NZ 2.8Å; D278-Y301 WeakPolarHBondContact OD2-CE1 3.26Å; D278-Y301 PolarHBondContact OD2-OH 2.72Å |
| 279 | M | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -53.1 | 175.6 | -176 | 177.7 | 75.8 | 0 | 0 | 111.8 | L131 L238 H275 L276 R277 E281 K282 M283 Y301 V305 F306 | L131-M279 HydrophobicContact CD1-SD 4.39Å; L238-M279 HydrophobicContact CD1-CE 3.95Å; H275-M279 WeakPolarHBondContact O-CB 3.5Å; H275-M279 PolarHBondContact O-N 2.74Å; L276-M279 HydrophobicContact CD1-CE 3.82Å; L276-M279 PolarHBondContact O-N 3.5Å; R277-M279 VanDerWaalsContact C-N 3.31Å; R277-M279 PolarHBondContact O-N 2.86Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-E281 PolarHBondContact O-N 2.91Å; M279-K282 PolarHBondContact O-N 3.23Å; M279-M283 HydrophobicContact CE-SD 4.49Å; M279-M283 HydrophobicContact CG-SD 3.93Å; M279-M283 VanDerWaalsContact O-CG 3.25Å; M279-M283 WeakPolarHBondContact O-CG 3.42Å; M279-M283 PolarHBondContact O-N 2.94Å; M279-Y301 VanDerWaalsContact CA-CZ 3.45Å; M279-Y301 WeakPolarHBondContact CA-OH 3.48Å; M279-Y301 HydrophobicContact CB-CD1 4.09Å; M279-Y301 HydrophobicContact CB-CD2 3.82Å; M279-Y301 HydrophobicContact CB-CE1 3.76Å; M279-Y301 HydrophobicContact CB-CE2 3.51Å; M279-Y301 HydrophobicContact CB-CG 4.13Å; M279-Y301 VanDerWaalsContact CB-CZ 3.47Å; M279-Y301 HydrophobicContact CG-CD2 3.51Å; M279-Y301 HydrophobicContact CG-CE2 3.39Å; M279-Y301 HydrophobicContact CG-CG 4.17Å; M279-Y301 PolarHBondContact N-OH 2.87Å; M279-Y301 HydrophobicContact SD-CD2 3.53Å; M279-Y301 VanDerWaalsContact SD-CD2 3.53Å; M279-Y301 HydrophobicContact SD-CE2 4.1Å; M279-Y301 HydrophobicContact SD-CG 3.91Å; M279-V305 HydrophobicContact CE-CG1 4.28Å; M279-F306 HydrophobicContact CE-CE2 4.37Å; M279-F306 HydrophobicContact CE-CZ 4.05Å; M279-F306 HydrophobicContact SD-CE2 3.91Å; M279-F306 HydrophobicContact SD-CZ 4.18Å |
| 280 | I | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | -176.8 | -69.4 | 171.4 | 0 | 0 | 0 | 110.5 | L238 L239 L268 L271 L276 R277 K282 M283 I284 | L238-I280 HydrophobicContact CB-CD1 4.06Å; L238-I280 HydrophobicContact CB-CG1 4.16Å; L239-I280 HydrophobicContact CB-CG2 4.05Å; L239-I280 HydrophobicContact CD1-CG2 4.15Å; L268-I280 HydrophobicContact CD2-CG2 4.14Å; L271-I280 HydrophobicContact CD1-CB 4.4Å; L271-I280 HydrophobicContact CD1-CD1 3.75Å; L271-I280 HydrophobicContact CD2-CD1 4.22Å; L276-I280 HydrophobicContact CD1-CD1 3.82Å; L276-I280 HydrophobicContact CD1-CG1 4.29Å; L276-I280 HydrophobicContact CG-CD1 3.98Å; L276-I280 WeakPolarHBondContact O-CG1 3.35Å; L276-I280 PolarHBondContact O-N 3.18Å; R277-I280 PolarHBondContact O-N 3.35Å; I280-K282 PolarHBondContact O-N 3.1Å; I280-M283 WeakPolarHBondContact O-CB 3.35Å; I280-M283 PolarHBondContact O-N 3.46Å; I280-M283 VanDerWaalsContact O-N 3.12Å; I280-I284 WeakPolarHBondContact O-CG1 3.41Å; I280-I284 PolarHBondContact O-N 3.48Å |
| 281 | E | 93.7 | Very high | 93.4 | Very high | 69 Ų | 69 | 54.4 Ų | 54.4 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 178.3 | -170.9 | 163.5 | -162.5 | 0 | 0 | 112.1 | H263 R277 M279 H285 | H263-E281 IonicContact CE1-OE1 2.81Å; R277-E281 VanDerWaalsContact O-CB 3.22Å; R277-E281 WeakPolarHBondContact O-CB 3.48Å; R277-E281 PolarHBondContact O-N 3.3Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-E281 PolarHBondContact O-N 2.91Å; E281-H285 PolarHBondContact O-N 2.78Å |
| 282 | K | 95.8 | Very high | 93.7 | Very high | 83 Ų | 83 | 54.4 Ų | 54.4 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 172 | -75 | 171.3 | -178.8 | 155.8 | 0 | 113 | D278 M279 I280 H285 P292 Y301 | D278-K282 WeakPolarHBondContact O-CB 3.49Å; D278-K282 WeakPolarHBondContact O-CG 3.39Å; D278-K282 PolarHBondContact O-N 3.48Å; D278-K282 VanDerWaalsContact O-N 3.09Å; D278-K282 WeakPolarHBondContact OD1-CE 3.36Å; D278-K282 IonicContact OD1-NZ 3.43Å; D278-K282 PolarHBondContact OD1-NZ 2.65Å; D278-K282 IonicContact OD2-NZ 2.97Å; D278-K282 PolarHBondContact OD2-NZ 2.8Å; M279-K282 PolarHBondContact O-N 3.23Å; I280-K282 PolarHBondContact O-N 3.1Å; K282-H285 WeakPolarHBondContact O-CB 3.35Å; K282-H285 PolarHBondContact O-N 2.84Å; K282-P292 HydrophobicContact CB-CG 4.25Å; K282-Y301 WeakPolarHBondContact CD-OH 3.33Å |
| 283 | M | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 177 | -70.8 | 173.8 | 74.8 | 0 | 0 | 112.1 | L131 I231 F232 L234 L238 M279 I280 H285 R291 | L131-M283 HydrophobicContact CD2-CE 4.12Å; I231-M283 HydrophobicContact CG2-CB 4.06Å; I231-M283 HydrophobicContact CG2-CE 4.41Å; I231-M283 HydrophobicContact CG2-CG 4.03Å; F232-M283 WeakPolarHBondContact CA-O 3.42Å; L234-M283 HydrophobicContact CB-CE 4.02Å; L234-M283 HydrophobicContact CD2-CE 3.85Å; L234-M283 HydrophobicContact CG-CE 3.75Å; L238-M283 HydrophobicContact CD1-CE 3.98Å; L238-M283 HydrophobicContact CD1-SD 4.01Å; M279-M283 HydrophobicContact CE-SD 4.49Å; M279-M283 HydrophobicContact CG-SD 3.93Å; M279-M283 VanDerWaalsContact O-CG 3.25Å; M279-M283 WeakPolarHBondContact O-CG 3.42Å; M279-M283 PolarHBondContact O-N 2.94Å; I280-M283 WeakPolarHBondContact O-CB 3.35Å; I280-M283 PolarHBondContact O-N 3.46Å; I280-M283 VanDerWaalsContact O-N 3.12Å; M283-H285 VanDerWaalsContact C-N 3.28Å; M283-H285 PolarHBondContact O-N 3.28Å; M283-R291 WeakPolarHBondContact O-CD 3.23Å |
| 284 | I | 94.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 14 | 178.7 | 71.5 | -179.2 | 0 | 0 | 0 | 113.4 | F232 Y257 P264 L268 I280 | F232-I284 HydrophobicContact CD2-CB 4.11Å; F232-I284 HydrophobicContact CE2-CB 3.91Å; F232-I284 WeakPolarHBondContact CE2-O 3.46Å; Y257-I284 PolarHBondContact OH-O 2.66Å; Y257-I284 VanDerWaalsContact OH-O 3.07Å; P264-I284 HydrophobicContact CG-CD1 3.91Å; L268-I284 HydrophobicContact CD1-CD1 4.47Å; L268-I284 HydrophobicContact CD2-CD1 4.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.41Å; I280-I284 PolarHBondContact O-N 3.48Å |
| 285 | H | 94.7 | Very high | 94.7 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | trans | -60.3 | 143 | -175.9 | -165.1 | -95.3 | 0 | 0 | 0 | 112.3 | E281 K282 M283 N287 E290 R291 | E281-H285 PolarHBondContact O-N 2.78Å; K282-H285 WeakPolarHBondContact O-CB 3.35Å; K282-H285 PolarHBondContact O-N 2.84Å; M283-H285 VanDerWaalsContact C-N 3.28Å; M283-H285 PolarHBondContact O-N 3.28Å; H285-N287 PolarHBondContact ND1-N 3.49Å; H285-N287 VanDerWaalsContact ND1-N 3.17Å; H285-N287 PolarHBondContact ND1-O 3.2Å; H285-N287 PolarHBondContact O-N 3Å; H285-E290 VanDerWaalsContact CE1-CD 3.43Å; H285-E290 IonicContact CE1-OE1 3.37Å; H285-E290 IonicContact CE1-OE2 2.81Å; H285-E290 PolarHBondContact CE1-OE2 3.46Å; H285-E290 IonicContact ND1-OE2 3.49Å; H285-E290 IonicContact NE2-OE2 3.84Å; H285-E290 PolarHBondContact NE2-OE2 3.11Å; H285-R291 HydrophobicContact CB-CG 4.19Å; H285-R291 PolarHBondContact O-NE 3.28Å; H285-R291 PolarHBondContact O-NH2 2.88Å | ||
| 286 | L | 92.3 | Very high | 94.8 | Very high | 65 Ų | 65 | 47 Ų | 47 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -64.1 | -41.4 | -176.4 | -176.5 | 64.3 | 0 | 0 | 0 | 112.1 | P197 Y257 P288 R291 | P197-L286 HydrophobicContact CB-CD1 3.96Å; P197-L286 HydrophobicContact CG-CD1 4.03Å; Y257-L286 HydrophobicContact CD1-CD1 4.26Å; Y257-L286 HydrophobicContact CE1-CB 4.24Å; Y257-L286 HydrophobicContact CE1-CD1 4.21Å; L286-P288 WeakPolarHBondContact O-CD 3.44Å; L286-R291 PolarHBondContact O-NH2 2.88Å |
| 287 | N | 92.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 46.8 Ų | 46.8 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -78.7 | 116.5 | 174.9 | -176.9 | 3.8 | 0 | 0 | 0 | 110.4 | H285 L289 E290 | H285-N287 PolarHBondContact ND1-N 3.49Å; H285-N287 VanDerWaalsContact ND1-N 3.17Å; H285-N287 PolarHBondContact ND1-O 3.2Å; H285-N287 PolarHBondContact O-N 3Å; N287-L289 PolarHBondContact O-N 2.77Å; N287-L289 PolarHBondContact OD1-N 2.76Å; N287-E290 HydrophobicContact CB-CB 4.35Å; N287-E290 HydrophobicContact CB-CG 4.25Å; N287-E290 PolarHBondContact ND2-OE1 3.31Å; N287-E290 PolarHBondContact O-N 3.21Å; N287-E290 VanDerWaalsContact O-N 3.17Å |
| 288 | P | 93.5 | Very high | 95.1 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -59.5 | -33 | -179.4 | -23.4 | 34.4 | 0 | 0 | 0 | 113.6 | E198 E228 L286 E290 R291 | E198-P288 HydrophobicContact CB-CG 4.45Å; E198-P288 HydrophobicContact CG-CG 4.09Å; E228-P288 HydrophobicContact CB-CB 3.93Å; E228-P288 HydrophobicContact CG-CB 4.41Å; E228-P288 WeakPolarHBondContact CG-O 3.39Å; L286-P288 WeakPolarHBondContact O-CD 3.44Å; P288-E290 PolarHBondContact O-N 3.16Å; P288-R291 WeakPolarHBondContact O-CB 3.47Å; P288-R291 PolarHBondContact O-N 2.78Å |
| 289 | L | 92.8 | Very high | 95.1 | Very high | 153 Ų | 153 | 49.1 Ų | 49.1 | 80% | 0.801 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -70.9 | -17.4 | -178 | -63.8 | 175.5 | 0 | 0 | 0 | 113.7 | N287 | N287-L289 PolarHBondContact O-N 2.77Å; N287-L289 PolarHBondContact OD1-N 2.76Å |
| 290 | E | 95 | Very high | 95 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -92.2 | -7.8 | 177.3 | -71.9 | 174.4 | -132.4 | 0 | 0 | 112.2 | H285 N287 P288 | H285-E290 VanDerWaalsContact CE1-CD 3.43Å; H285-E290 IonicContact CE1-OE1 3.37Å; H285-E290 IonicContact CE1-OE2 2.81Å; H285-E290 PolarHBondContact CE1-OE2 3.46Å; H285-E290 IonicContact ND1-OE2 3.49Å; H285-E290 IonicContact NE2-OE2 3.84Å; H285-E290 PolarHBondContact NE2-OE2 3.11Å; N287-E290 HydrophobicContact CB-CB 4.35Å; N287-E290 HydrophobicContact CB-CG 4.25Å; N287-E290 PolarHBondContact ND2-OE1 3.31Å; N287-E290 PolarHBondContact O-N 3.21Å; N287-E290 VanDerWaalsContact O-N 3.17Å; P288-E290 PolarHBondContact O-N 3.16Å |
| 291 | R | 96.3 | Very high | 95 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -74.7 | 126.4 | 175.8 | -59.9 | 178.9 | -165.5 | 145 | 9.4 | 109.1 | E198 E228 I231 M283 H285 L286 P288 | E198-R291 IonicContact OE1-CZ 3.37Å; E198-R291 IonicContact OE1-NH1 3.83Å; E198-R291 PolarHBondContact OE1-NH1 2.76Å; E198-R291 IonicContact OE1-NH2 3.73Å; E198-R291 IonicContact OE2-CZ 2.88Å; E198-R291 IonicContact OE2-NH1 3.52Å; E198-R291 PolarHBondContact OE2-NH1 2.73Å; E198-R291 IonicContact OE2-NH2 3.34Å; E198-R291 PolarHBondContact OE2-NH2 3.12Å; E228-R291 WeakPolarHBondContact O-CD 3.48Å; E228-R291 PolarHBondContact O-NH1 3.03Å; I231-R291 HydrophobicContact CG2-CB 4.03Å; M283-R291 WeakPolarHBondContact O-CD 3.23Å; H285-R291 HydrophobicContact CB-CG 4.19Å; H285-R291 PolarHBondContact O-NE 3.28Å; H285-R291 PolarHBondContact O-NH2 2.88Å; L286-R291 PolarHBondContact O-NH2 2.88Å; P288-R291 WeakPolarHBondContact O-CB 3.47Å; P288-R291 PolarHBondContact O-N 2.78Å |
| 292 | P | 94.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.078 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 147.8 | 175.7 | 27.3 | -34 | 0 | 0 | 0 | 111 | I231 K282 Q296 C297 | I231-P292 WeakPolarHBondContact CG2-O 3.41Å; K282-P292 HydrophobicContact CB-CG 4.25Å; P292-Q296 HydrophobicContact CB-CB 4.09Å; P292-C297 WeakPolarHBondContact CG-SG 3.17Å |
| 293 | S | 95.8 | Very high | 94.9 | Very high | 40 Ų | 40 | 59 Ų | 59 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 160 | 169.7 | 77.7 | 0 | 0 | 0 | 0 | 111.2 | A295 Q296 C297 | S293-A295 VanDerWaalsContact C-N 3.29Å; S293-A295 PolarHBondContact O-N 2.84Å; S293-Q296 WeakPolarHBondContact O-CA 3.08Å; S293-Q296 WeakPolarHBondContact O-CB 3.23Å; S293-Q296 PolarHBondContact O-N 3Å; S293-Q296 WeakPolarHBondContact OG-CG 3.09Å; S293-Q296 PolarHBondContact OG-N 3.38Å; S293-C297 PolarHBondContact O-N 2.96Å |
| 294 | A | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.1 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L131 L134 E135 I231 Q296 C297 L298 | L131-A294 HydrophobicContact CD2-CB 4.24Å; L131-A294 WeakPolarHBondContact O-CB 3.43Å; L134-A294 HydrophobicContact CB-CB 3.62Å; E135-A294 HydrophobicContact CB-CB 4.36Å; I231-A294 HydrophobicContact CD1-CB 4.07Å; A294-Q296 VanDerWaalsContact C-N 3.34Å; A294-Q296 PolarHBondContact O-N 2.57Å; A294-C297 WeakPolarHBondContact O-CB 3.49Å; A294-C297 PolarHBondContact O-N 3.02Å; A294-L298 WeakPolarHBondContact O-CG 2.96Å; A294-L298 PolarHBondContact O-N 2.85Å |
| 295 | A | 96.2 | Very high | 94.7 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | E135 S293 K299 | E135-A295 HydrophobicContact CG-CB 4.29Å; E135-A295 WeakPolarHBondContact OE1-CB 3.46Å; S293-A295 VanDerWaalsContact C-N 3.29Å; S293-A295 PolarHBondContact O-N 2.84Å; A295-K299 WeakPolarHBondContact O-CB 3.24Å; A295-K299 PolarHBondContact O-N 2.8Å; A295-K299 VanDerWaalsContact O-N 3.08Å |
| 296 | Q | 96.4 | Very high | 94.7 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 174.5 | -72.5 | 170.2 | -9.7 | 0 | 0 | 111.4 | P292 S293 A294 K299 L300 | P292-Q296 HydrophobicContact CB-CB 4.09Å; S293-Q296 WeakPolarHBondContact O-CA 3.08Å; S293-Q296 WeakPolarHBondContact O-CB 3.23Å; S293-Q296 PolarHBondContact O-N 3Å; S293-Q296 WeakPolarHBondContact OG-CG 3.09Å; S293-Q296 PolarHBondContact OG-N 3.38Å; A294-Q296 VanDerWaalsContact C-N 3.34Å; A294-Q296 PolarHBondContact O-N 2.57Å; Q296-K299 PolarHBondContact O-N 2.98Å; Q296-L300 VanDerWaalsContact O-CB 3.32Å; Q296-L300 WeakPolarHBondContact O-CB 3.4Å; Q296-L300 VanDerWaalsContact O-CG 3.26Å; Q296-L300 WeakPolarHBondContact O-CG 3.37Å; Q296-L300 PolarHBondContact O-N 3.05Å |
| 297 | C | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 174.4 | -68 | 0 | 0 | 0 | 0 | 111.5 | L131 P292 S293 A294 K299 L300 Y301 | L131-C297 HydrophobicContact CD1-CB 4.04Å; L131-C297 HydrophobicContact CD2-CB 3.9Å; P292-C297 WeakPolarHBondContact CG-SG 3.17Å; S293-C297 PolarHBondContact O-N 2.96Å; A294-C297 WeakPolarHBondContact O-CB 3.49Å; A294-C297 PolarHBondContact O-N 3.02Å; C297-K299 PolarHBondContact O-N 3.06Å; C297-L300 PolarHBondContact O-N 3.17Å; C297-Y301 HydrophobicContact CB-CD2 4.4Å; C297-Y301 VanDerWaalsContact O-CD2 3.28Å; C297-Y301 WeakPolarHBondContact O-CD2 3.42Å; C297-Y301 PolarHBondContact O-N 3.14Å |
| 298 | L | 96.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.1 | -34 | 179 | -72.6 | 170.2 | 0 | 0 | 0 | 112.3 | Y128 L131 K132 A294 Y311 | Y128-L298 HydrophobicContact CD2-CD2 3.61Å; Y128-L298 HydrophobicContact CE2-CD2 3.58Å; Y128-L298 HydrophobicContact CG-CD2 4.41Å; L131-L298 HydrophobicContact CB-CD1 4.15Å; L131-L298 HydrophobicContact CB-CD2 3.79Å; L131-L298 HydrophobicContact CB-CG 3.83Å; L131-L298 HydrophobicContact CD1-CD2 4.03Å; L131-L298 HydrophobicContact CD1-CG 4.31Å; K132-L298 HydrophobicContact CD-CD1 4Å; K132-L298 HydrophobicContact CG-CD1 4.21Å; A294-L298 WeakPolarHBondContact O-CG 2.96Å; A294-L298 PolarHBondContact O-N 2.85Å; L298-Y311 HydrophobicContact CB-CE1 4.41Å; L298-Y311 WeakPolarHBondContact O-CE1 3.41Å; L298-Y311 PolarHBondContact O-OH 2.98Å |
| 299 | K | 95.2 | Very high | 94.7 | Very high | 177 Ų | 177 | 55.9 Ų | 55.9 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -78.2 | -44.5 | 177.7 | -173.8 | 177.7 | 178.9 | 180 | 0 | 113 | A295 Q296 C297 | A295-K299 WeakPolarHBondContact O-CB 3.24Å; A295-K299 PolarHBondContact O-N 2.8Å; A295-K299 VanDerWaalsContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 2.98Å; C297-K299 PolarHBondContact O-N 3.06Å |
| 300 | L | 94.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 58% | 0.576 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -69.8 | -35 | -175.8 | -74.1 | 169.3 | 0 | 0 | 0 | 112.4 | Q296 C297 | Q296-L300 VanDerWaalsContact O-CB 3.32Å; Q296-L300 WeakPolarHBondContact O-CB 3.4Å; Q296-L300 VanDerWaalsContact O-CG 3.26Å; Q296-L300 WeakPolarHBondContact O-CG 3.37Å; Q296-L300 PolarHBondContact O-N 3.05Å; C297-L300 PolarHBondContact O-N 3.17Å |
| 301 | Y | 96 | Very high | 94.8 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 14.5 | -173 | -59.7 | -73.4 | 0 | 0 | 0 | 114.5 | H275 D278 M279 K282 C297 T304 V305 F306 | H275-Y301 WeakPolarHBondContact O-CE1 3.22Å; D278-Y301 WeakPolarHBondContact OD2-CE1 3.26Å; D278-Y301 PolarHBondContact OD2-OH 2.72Å; M279-Y301 VanDerWaalsContact CA-CZ 3.45Å; M279-Y301 WeakPolarHBondContact CA-OH 3.48Å; M279-Y301 HydrophobicContact CB-CD1 4.09Å; M279-Y301 HydrophobicContact CB-CD2 3.82Å; M279-Y301 HydrophobicContact CB-CE1 3.76Å; M279-Y301 HydrophobicContact CB-CE2 3.51Å; M279-Y301 HydrophobicContact CB-CG 4.13Å; M279-Y301 VanDerWaalsContact CB-CZ 3.47Å; M279-Y301 HydrophobicContact CG-CD2 3.51Å; M279-Y301 HydrophobicContact CG-CE2 3.39Å; M279-Y301 HydrophobicContact CG-CG 4.17Å; M279-Y301 PolarHBondContact N-OH 2.87Å; M279-Y301 HydrophobicContact SD-CD2 3.53Å; M279-Y301 VanDerWaalsContact SD-CD2 3.53Å; M279-Y301 HydrophobicContact SD-CE2 4.1Å; M279-Y301 HydrophobicContact SD-CG 3.91Å; K282-Y301 WeakPolarHBondContact CD-OH 3.33Å; C297-Y301 HydrophobicContact CB-CD2 4.4Å; C297-Y301 VanDerWaalsContact O-CD2 3.28Å; C297-Y301 WeakPolarHBondContact O-CD2 3.42Å; C297-Y301 PolarHBondContact O-N 3.14Å; Y301-T304 VanDerWaalsContact C-OG1 3.31Å; Y301-T304 VanDerWaalsContact CA-OG1 3.24Å; Y301-T304 WeakPolarHBondContact CA-OG1 3.35Å; Y301-T304 PolarHBondContact O-N 3.08Å; Y301-T304 PolarHBondContact O-OG1 3.11Å; Y301-V305 HydrophobicContact CD1-CG2 3.85Å; Y301-V305 HydrophobicContact CG-CG2 4.13Å; Y301-V305 PolarHBondContact O-N 3.33Å; Y301-F306 PolarHBondContact O-N 3.13Å; Y301-F306 VanDerWaalsContact O-N 3.11Å |
| 302 | R | 95.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -62.2 | 137.7 | 168.1 | -179.6 | 171.7 | 179.5 | 164.8 | 8.3 | 109.5 | T304 Y311 D312 | R302-T304 PolarHBondContact O-N 2.86Å; R302-Y311 HydrophobicContact CB-CE1 4.31Å; R302-Y311 HydrophobicContact CB-CE2 4.06Å; R302-Y311 HydrophobicContact CG-CD2 4.09Å; R302-Y311 HydrophobicContact CG-CE1 4.36Å; R302-Y311 HydrophobicContact CG-CE2 3.76Å; R302-D312 IonicContact CZ-OD1 2.92Å; R302-D312 IonicContact NH2-OD1 3.03Å; R302-D312 PolarHBondContact NH2-OD1 3.31Å; R302-D312 IonicContact NH2-OD2 2.77Å; R302-D312 PolarHBondContact NH2-OD2 3.49Å |
| 303 | E | 90.9 | Very high | 94.5 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 66% | 0.664 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -6.2 | -177.3 | -68.5 | 174.5 | -172.6 | 0 | 0 | 116.2 | F306 | E303-F306 WeakPolarHBondContact CA-O 3.24Å; E303-F306 PolarHBondContact N-O 3.45Å |
| 304 | T | 93 | Very high | 94.5 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -51.8 | 176.5 | 52.4 | 0 | 0 | 0 | 0 | 112 | Y301 R302 | Y301-T304 VanDerWaalsContact C-OG1 3.31Å; Y301-T304 VanDerWaalsContact CA-OG1 3.24Å; Y301-T304 WeakPolarHBondContact CA-OG1 3.35Å; Y301-T304 PolarHBondContact O-N 3.08Å; Y301-T304 PolarHBondContact O-OG1 3.11Å; R302-T304 PolarHBondContact O-N 2.86Å |
| 305 | V | 94 | Very high | 94.4 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -41.7 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | R124 H275 L276 M279 Y301 | R124-V305 WeakPolarHBondContact CD-O 3.31Å; R124-V305 PolarHBondContact NH1-O 2.89Å; H275-V305 HydrophobicContact CB-CG2 3.75Å; L276-V305 HydrophobicContact CB-CG1 4.49Å; L276-V305 HydrophobicContact CB-CG2 4.37Å; L276-V305 HydrophobicContact CD1-CG1 3.92Å; M279-V305 HydrophobicContact CE-CG1 4.28Å; Y301-V305 HydrophobicContact CD1-CG2 3.85Å; Y301-V305 HydrophobicContact CG-CG2 4.13Å; Y301-V305 PolarHBondContact O-N 3.33Å |
| 306 | F | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -109.6 | 120.2 | -176.4 | -56.9 | -64.7 | 0 | 0 | 0 | 110.6 | R124 A127 Y128 L131 M279 Y301 E303 F310 Y311 | R124-F306 WeakPolarHBondContact O-CE1 3.38Å; A127-F306 HydrophobicContact CB-CE1 3.98Å; A127-F306 HydrophobicContact CB-CZ 4.32Å; Y128-F306 HydrophobicContact CD2-CB 4.09Å; Y128-F306 AromaticContact CD2-CD1 3.99Å; Y128-F306 HydrophobicContact CD2-CD1 3.99Å; Y128-F306 HydrophobicContact CD2-CD2 4.39Å; Y128-F306 AromaticContact CD2-CG 3.9Å; Y128-F306 HydrophobicContact CD2-CG 3.9Å; Y128-F306 HydrophobicContact CG-CD1 4.41Å; L131-F306 HydrophobicContact CD1-CE2 3.6Å; L131-F306 HydrophobicContact CD1-CZ 3.57Å; M279-F306 HydrophobicContact CE-CE2 4.37Å; M279-F306 HydrophobicContact CE-CZ 4.05Å; M279-F306 HydrophobicContact SD-CE2 3.91Å; M279-F306 HydrophobicContact SD-CZ 4.18Å; Y301-F306 PolarHBondContact O-N 3.13Å; Y301-F306 VanDerWaalsContact O-N 3.11Å; E303-F306 WeakPolarHBondContact CA-O 3.24Å; E303-F306 PolarHBondContact N-O 3.45Å; F306-F310 HydrophobicContact CB-CD2 4.3Å; F306-F310 HydrophobicContact CD1-CD2 4.35Å; F306-F310 HydrophobicContact CD1-CE2 4.45Å; F306-Y311 HydrophobicContact CB-CE2 3.7Å |
| 307 | P | 93 | Very high | 94.2 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | trans | -53.6 | 143.8 | 174.4 | -28.2 | 36.8 | 0 | 0 | 0 | 112.5 | I309 F310 Y311 | P307-I309 HydrophobicContact CB-CG2 3.83Å; P307-I309 PolarHBondContact O-N 2.84Å; P307-F310 HydrophobicContact CB-CD1 4.33Å; P307-F310 HydrophobicContact CB-CE1 4.49Å; P307-F310 HydrophobicContact CG-CE1 4.28Å; P307-F310 HydrophobicContact CG-CZ 4.29Å; P307-F310 WeakPolarHBondContact O-CB 3.47Å; P307-F310 PolarHBondContact O-N 3.49Å; P307-F310 VanDerWaalsContact O-N 3.08Å; P307-Y311 WeakPolarHBondContact O-CD2 3.33Å | ||
| 308 | S | 91.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.1 | -35.1 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | F310 Y311 D312 | S308-F310 PolarHBondContact O-N 3.07Å; S308-F310 VanDerWaalsContact O-N 3.07Å; S308-Y311 WeakPolarHBondContact O-CB 3.36Å; S308-Y311 PolarHBondContact O-N 2.99Å; S308-D312 PolarHBondContact O-N 2.87Å |
| 309 | I | 92.7 | Very high | 94 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.1 | -26.9 | 177 | -166.7 | 161.7 | 0 | 0 | 0 | 113.4 | P307 Y311 F313 L314 M346 F347 | P307-I309 HydrophobicContact CB-CG2 3.83Å; P307-I309 PolarHBondContact O-N 2.84Å; I309-Y311 VanDerWaalsContact C-N 3.3Å; I309-Y311 PolarHBondContact O-N 3.43Å; I309-F313 HydrophobicContact CG1-CB 4.36Å; I309-F313 HydrophobicContact CG1-CD1 4.46Å; I309-F313 PolarHBondContact O-N 3.45Å; I309-L314 WeakPolarHBondContact O-CB 3.32Å; I309-L314 PolarHBondContact O-N 2.89Å; I309-M346 WeakPolarHBondContact CD1-O 3.39Å; I309-F347 HydrophobicContact CD1-CD1 3.42Å; I309-F347 VanDerWaalsContact CD1-CD1 3.42Å; I309-F347 HydrophobicContact CD1-CE1 3.33Å; I309-F347 HydrophobicContact CD1-CE2 4.48Å; I309-F347 HydrophobicContact CD1-CG 4.03Å; I309-F347 HydrophobicContact CD1-CZ 3.89Å; I309-F347 HydrophobicContact CG1-CE1 4.17Å |
| 310 | F | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -62.1 | -40.2 | 173.9 | -72.3 | 6.9 | 0 | 0 | 0 | 111.7 | V121 R124 W125 Y128 F306 P307 S308 L314 W315 S357 | V121-F310 HydrophobicContact CG2-CE1 4.33Å; V121-F310 HydrophobicContact CG2-CZ 4.04Å; R124-F310 HydrophobicContact CB-CE2 4.01Å; R124-F310 HydrophobicContact CB-CZ 4.38Å; W125-F310 HydrophobicContact CB-CE2 4.23Å; W125-F310 HydrophobicContact CB-CZ 4Å; W125-F310 HydrophobicContact CE3-CB 4.5Å; W125-F310 AromaticContact CE3-CD1 3.93Å; W125-F310 HydrophobicContact CE3-CD1 3.93Å; W125-F310 AromaticContact CE3-CD2 3.84Å; W125-F310 HydrophobicContact CE3-CD2 3.84Å; W125-F310 HydrophobicContact CE3-CE1 4Å; W125-F310 AromaticContact CE3-CE2 3.92Å; W125-F310 HydrophobicContact CE3-CE2 3.92Å; W125-F310 AromaticContact CE3-CG 3.85Å; W125-F310 HydrophobicContact CE3-CG 3.85Å; W125-F310 HydrophobicContact CE3-CZ 4Å; W125-F310 HydrophobicContact CZ3-CB 4.16Å; W125-F310 HydrophobicContact CZ3-CD1 4.21Å; W125-F310 HydrophobicContact CZ3-CD2 4.29Å; W125-F310 AromaticContact CZ3-CG 3.99Å; W125-F310 HydrophobicContact CZ3-CG 3.99Å; Y128-F310 HydrophobicContact CD1-CB 4.4Å; Y128-F310 HydrophobicContact CD1-CD2 4.47Å; Y128-F310 HydrophobicContact CD2-CB 4.21Å; Y128-F310 HydrophobicContact CD2-CD2 4.06Å; Y128-F310 HydrophobicContact CE1-CB 4.33Å; Y128-F310 HydrophobicContact CE2-CB 4.1Å; Y128-F310 HydrophobicContact CG-CB 4.36Å; Y128-F310 AromaticContact CG-CD2 3.9Å; Y128-F310 HydrophobicContact CG-CD2 3.9Å; F306-F310 HydrophobicContact CB-CD2 4.3Å; F306-F310 HydrophobicContact CD1-CD2 4.35Å; F306-F310 HydrophobicContact CD1-CE2 4.45Å; P307-F310 HydrophobicContact CB-CD1 4.33Å; P307-F310 HydrophobicContact CB-CE1 4.49Å; P307-F310 HydrophobicContact CG-CE1 4.28Å; P307-F310 HydrophobicContact CG-CZ 4.29Å; P307-F310 WeakPolarHBondContact O-CB 3.47Å; P307-F310 PolarHBondContact O-N 3.49Å; P307-F310 VanDerWaalsContact O-N 3.08Å; S308-F310 PolarHBondContact O-N 3.07Å; S308-F310 VanDerWaalsContact O-N 3.07Å; F310-L314 HydrophobicContact CD1-CD2 3.61Å; F310-L314 HydrophobicContact CE1-CD2 3.75Å; F310-W315 WeakPolarHBondContact O-CB 3.31Å; F310-W315 PolarHBondContact O-N 3.26Å; F310-W315 VanDerWaalsContact O-N 3.15Å; F310-S357 WeakPolarHBondContact CE1-OG 3.38Å |
| 311 | Y | 94.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -81.5 | -46.4 | -177.9 | -58.5 | -104.8 | 0 | 0 | 0 | 111.5 | Y128 L298 R302 F306 P307 S308 I309 | Y128-Y311 HydrophobicContact CD2-CE2 4.36Å; Y128-Y311 AromaticContact CE2-CD1 3.96Å; Y128-Y311 HydrophobicContact CE2-CD1 3.96Å; Y128-Y311 HydrophobicContact CE2-CD2 4.03Å; Y128-Y311 AromaticContact CE2-CE1 3.65Å; Y128-Y311 HydrophobicContact CE2-CE1 3.65Å; Y128-Y311 AromaticContact CE2-CE2 3.68Å; Y128-Y311 HydrophobicContact CE2-CE2 3.68Å; Y128-Y311 HydrophobicContact CE2-CG 4.15Å; Y128-Y311 AromaticContact CE2-CZ 3.49Å; Y128-Y311 VanDerWaalsContact CE2-CZ 3.49Å; Y128-Y311 WeakPolarHBondContact OH-CD1 3.16Å; L298-Y311 HydrophobicContact CB-CE1 4.41Å; L298-Y311 WeakPolarHBondContact O-CE1 3.41Å; L298-Y311 PolarHBondContact O-OH 2.98Å; R302-Y311 HydrophobicContact CB-CE1 4.31Å; R302-Y311 HydrophobicContact CB-CE2 4.06Å; R302-Y311 HydrophobicContact CG-CD2 4.09Å; R302-Y311 HydrophobicContact CG-CE1 4.36Å; R302-Y311 HydrophobicContact CG-CE2 3.76Å; F306-Y311 HydrophobicContact CB-CE2 3.7Å; P307-Y311 WeakPolarHBondContact O-CD2 3.33Å; S308-Y311 WeakPolarHBondContact O-CB 3.36Å; S308-Y311 PolarHBondContact O-N 2.99Å; I309-Y311 VanDerWaalsContact C-N 3.3Å; I309-Y311 PolarHBondContact O-N 3.43Å |
| 312 | D | 92.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -83.7 | -22.4 | -165 | -61.3 | -34.8 | 0 | 0 | 0 | 112.8 | R302 S308 | R302-D312 IonicContact CZ-OD1 2.92Å; R302-D312 IonicContact NH2-OD1 3.03Å; R302-D312 PolarHBondContact NH2-OD1 3.31Å; R302-D312 IonicContact NH2-OD2 2.77Å; R302-D312 PolarHBondContact NH2-OD2 3.49Å; S308-D312 PolarHBondContact O-N 2.87Å |
| 313 | F | 93.7 | Very high | 92.8 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -143.2 | -60.5 | -175.9 | 176.6 | -112 | 0 | 0 | 0 | 113.4 | I309 W315 Q316 Y317 V343 M346 F347 | I309-F313 HydrophobicContact CG1-CB 4.36Å; I309-F313 HydrophobicContact CG1-CD1 4.46Å; I309-F313 PolarHBondContact O-N 3.45Å; F313-W315 PolarHBondContact O-N 3.19Å; F313-Q316 PolarHBondContact O-N 3.43Å; F313-Y317 HydrophobicContact CE1-CD1 4.4Å; F313-Y317 HydrophobicContact CE1-CG 4.21Å; F313-Y317 AromaticContact CE2-CD2 3.88Å; F313-Y317 HydrophobicContact CE2-CD2 3.88Å; F313-Y317 HydrophobicContact CE2-CG 4Å; F313-Y317 HydrophobicContact CZ-CD1 4.13Å; F313-Y317 AromaticContact CZ-CD2 3.78Å; F313-Y317 HydrophobicContact CZ-CD2 3.78Å; F313-Y317 HydrophobicContact CZ-CE2 4.34Å; F313-Y317 AromaticContact CZ-CG 3.66Å; F313-Y317 HydrophobicContact CZ-CG 3.66Å; F313-Y317 VanDerWaalsContact O-CB 3.31Å; F313-Y317 WeakPolarHBondContact O-CB 3.38Å; F313-Y317 PolarHBondContact O-N 2.91Å; F313-V343 HydrophobicContact CZ-CG2 4.16Å; F313-M346 HydrophobicContact CB-CE 4Å; F313-M346 HydrophobicContact CD1-CB 4.05Å; F313-M346 HydrophobicContact CD1-CG 4.29Å; F313-M346 HydrophobicContact CD2-CG 4.19Å; F313-M346 HydrophobicContact CE1-CB 4.16Å; F313-M346 HydrophobicContact CE1-CG 4.35Å; F313-M346 HydrophobicContact CE2-CG 4.25Å; F313-M346 HydrophobicContact CG-CB 4.4Å; F313-M346 HydrophobicContact CG-CE 4.25Å; F313-M346 HydrophobicContact CG-CG 4.22Å; F313-M346 HydrophobicContact CZ-CG 4.33Å; F313-F347 HydrophobicContact CD1-CE2 4.33Å; F313-F347 HydrophobicContact CD1-CZ 4.41Å; F313-F347 AromaticContact CE1-CE2 3.9Å; F313-F347 HydrophobicContact CE1-CE2 3.9Å; F313-F347 HydrophobicContact CE1-CZ 4.34Å |
| 314 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -61.3 | -43 | -161.3 | 179.9 | 66.8 | 0 | 0 | 0 | 113 | W125 I309 F310 Y317 L318 F347 T360 V361 | W125-L314 HydrophobicContact CD2-CD2 4.06Å; W125-L314 HydrophobicContact CE3-CD2 3.63Å; W125-L314 HydrophobicContact CE3-CG 4.38Å; W125-L314 HydrophobicContact CH2-CD2 4.08Å; W125-L314 HydrophobicContact CH2-CG 3.92Å; W125-L314 HydrophobicContact CZ2-CD2 4.43Å; W125-L314 HydrophobicContact CZ2-CG 4.32Å; W125-L314 HydrophobicContact CZ3-CB 4.44Å; W125-L314 HydrophobicContact CZ3-CD2 3.64Å; W125-L314 HydrophobicContact CZ3-CG 3.93Å; I309-L314 WeakPolarHBondContact O-CB 3.32Å; I309-L314 PolarHBondContact O-N 2.89Å; F310-L314 HydrophobicContact CD1-CD2 3.61Å; F310-L314 HydrophobicContact CE1-CD2 3.75Å; L314-Y317 PolarHBondContact O-N 3.36Å; L314-L318 HydrophobicContact CD1-CD1 3.63Å; L314-L318 HydrophobicContact CD1-CG 3.82Å; L314-L318 HydrophobicContact CG-CD1 4.05Å; L314-L318 HydrophobicContact CG-CG 4.43Å; L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 2.9Å; L314-F347 HydrophobicContact CD1-CZ 4.07Å; L314-T360 WeakPolarHBondContact CD1-OG1 3.43Å; L314-T360 HydrophobicContact CD2-CG2 4.11Å; L314-T360 WeakPolarHBondContact CD2-OG1 3.01Å; L314-V361 HydrophobicContact CD1-CG2 3.95Å |
| 315 | W | 95 | Very high | 91.5 | Very high | 43 Ų | 43 | 43 Ų | 43 | 16% | 0.163 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 179.1 | -174.2 | 87.4 | 0 | 0 | 0 | 113 | P82 N83 W125 Y128 K132 W159 F310 F313 Y317 K319 | P82-W315 HydrophobicContact CG-CZ2 4.01Å; N83-W315 PolarHBondContact OD1-NE1 2.81Å; W125-W315 HydrophobicContact CH2-CB 3.88Å; W125-W315 HydrophobicContact CH2-CG 4.37Å; W125-W315 HydrophobicContact CZ3-CB 4.34Å; Y128-W315 HydrophobicContact CE1-CB 3.96Å; Y128-W315 AromaticContact CE1-CD1 3.75Å; Y128-W315 AromaticContact CE1-CG 3.96Å; Y128-W315 HydrophobicContact CE1-CG 3.96Å; K132-W315 HydrophobicContact CD-CZ2 4.33Å; W159-W315 AromaticContact CH2-NE1 3.88Å; F310-W315 WeakPolarHBondContact O-CB 3.31Å; F310-W315 PolarHBondContact O-N 3.26Å; F310-W315 VanDerWaalsContact O-N 3.15Å; F313-W315 PolarHBondContact O-N 3.19Å; W315-Y317 VanDerWaalsContact C-N 3.33Å; W315-K319 HydrophobicContact CE3-CD 4.39Å; W315-K319 HydrophobicContact CH2-CD 3.63Å; W315-K319 HydrophobicContact CZ2-CD 4.07Å; W315-K319 HydrophobicContact CZ3-CD 3.8Å; W315-K319 WeakPolarHBondContact O-CB 3.32Å; W315-K319 PolarHBondContact O-N 3.46Å |
| 316 | Q | 93.7 | Very high | 90.8 | Very high | 125 Ų | 125 | 48.2 Ų | 48.2 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 176.7 | -63.3 | -178.4 | 14.7 | 0 | 0 | 111.2 | F313 S320 | F313-Q316 PolarHBondContact O-N 3.43Å; Q316-S320 PolarHBondContact O-N 2.59Å |
| 317 | Y | 94.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.8 | -54.4 | 179.3 | -173.4 | -107 | 0 | 0 | 0 | 111.6 | F313 L314 W315 K319 S320 Y321 D339 V343 | F313-Y317 HydrophobicContact CE1-CD1 4.4Å; F313-Y317 HydrophobicContact CE1-CG 4.21Å; F313-Y317 AromaticContact CE2-CD2 3.88Å; F313-Y317 HydrophobicContact CE2-CD2 3.88Å; F313-Y317 HydrophobicContact CE2-CG 4Å; F313-Y317 HydrophobicContact CZ-CD1 4.13Å; F313-Y317 AromaticContact CZ-CD2 3.78Å; F313-Y317 HydrophobicContact CZ-CD2 3.78Å; F313-Y317 HydrophobicContact CZ-CE2 4.34Å; F313-Y317 AromaticContact CZ-CG 3.66Å; F313-Y317 HydrophobicContact CZ-CG 3.66Å; F313-Y317 VanDerWaalsContact O-CB 3.31Å; F313-Y317 WeakPolarHBondContact O-CB 3.38Å; F313-Y317 PolarHBondContact O-N 2.91Å; L314-Y317 PolarHBondContact O-N 3.36Å; W315-Y317 VanDerWaalsContact C-N 3.33Å; Y317-K319 PolarHBondContact O-N 2.97Å; Y317-S320 WeakPolarHBondContact O-CB 3.45Å; Y317-S320 PolarHBondContact O-N 3.22Å; Y317-S320 PolarHBondContact O-OG 3.1Å; Y317-Y321 HydrophobicContact CD1-CE2 4.18Å; Y317-Y321 AromaticContact CE1-CE2 3.68Å; Y317-Y321 HydrophobicContact CE1-CE2 3.68Å; Y317-Y321 HydrophobicContact CE2-CE2 4.29Å; Y317-Y321 AromaticContact CZ-CE2 3.73Å; Y317-Y321 WeakPolarHBondContact O-CD2 3.43Å; Y317-Y321 PolarHBondContact OH-OH 3.44Å; Y317-D339 HydrophobicContact CE2-CB 4.09Å; Y317-D339 VanDerWaalsContact CE2-OD2 3.27Å; Y317-D339 WeakPolarHBondContact CE2-OD2 3.09Å; Y317-D339 VanDerWaalsContact OH-CB 3.23Å; Y317-D339 WeakPolarHBondContact OH-CB 3.49Å; Y317-D339 PolarHBondContact OH-OD2 3.06Å; Y317-D339 VanDerWaalsContact OH-OD2 3.11Å; Y317-V343 HydrophobicContact CE1-CG2 3.95Å; Y317-V343 HydrophobicContact CE2-CG2 4.41Å |
| 318 | L | 94.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -33.7 | -180 | -69.3 | -176.4 | 0 | 0 | 0 | 112.7 | W125 W159 L314 S320 Y321 L364 | W125-L318 HydrophobicContact CH2-CD1 4.5Å; W125-L318 HydrophobicContact CZ2-CD1 3.66Å; W159-L318 HydrophobicContact CE3-CB 4.08Å; W159-L318 HydrophobicContact CZ3-CB 3.69Å; L314-L318 HydrophobicContact CD1-CD1 3.63Å; L314-L318 HydrophobicContact CD1-CG 3.82Å; L314-L318 HydrophobicContact CG-CD1 4.05Å; L314-L318 HydrophobicContact CG-CG 4.43Å; L314-L318 WeakPolarHBondContact O-CB 3.41Å; L314-L318 WeakPolarHBondContact O-CG 3.36Å; L314-L318 PolarHBondContact O-N 2.9Å; L318-S320 PolarHBondContact O-N 3.48Å; L318-Y321 WeakPolarHBondContact O-CB 3.34Å; L318-Y321 PolarHBondContact O-N 3.17Å; L318-L364 HydrophobicContact CD2-CB 4.35Å; L318-L364 HydrophobicContact CD2-CD2 3.81Å |
| 319 | K | 93.5 | Very high | 90.2 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.6 | -38.5 | 172.5 | -178.9 | -178.6 | 177.4 | -62.4 | 0 | 111.5 | P82 W159 W315 Y317 Y321 V322 D323 | P82-K319 HydrophobicContact CB-CG 4.35Å; P82-K319 HydrophobicContact CG-CD 4.19Å; W159-K319 HydrophobicContact CH2-CB 3.86Å; W159-K319 HydrophobicContact CZ2-CB 4.48Å; W315-K319 HydrophobicContact CE3-CD 4.39Å; W315-K319 HydrophobicContact CH2-CD 3.63Å; W315-K319 HydrophobicContact CZ2-CD 4.07Å; W315-K319 HydrophobicContact CZ3-CD 3.8Å; W315-K319 WeakPolarHBondContact O-CB 3.32Å; W315-K319 PolarHBondContact O-N 3.46Å; Y317-K319 PolarHBondContact O-N 2.97Å; K319-Y321 PolarHBondContact O-N 3.47Å; K319-V322 WeakPolarHBondContact O-CG2 3.21Å; K319-V322 PolarHBondContact O-N 3.2Å; K319-D323 IonicContact NZ-OD1 2.68Å; K319-D323 PolarHBondContact NZ-OD1 3.22Å; K319-D323 IonicContact NZ-OD2 3.53Å; K319-D323 PolarHBondContact NZ-OD2 3.32Å; K319-D323 PolarHBondContact O-N 2.93Å |
| 320 | S | 92.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -6 | 179.7 | 78.9 | 0 | 0 | 0 | 0 | 115.1 | Q316 Y317 L318 K335 | Q316-S320 PolarHBondContact O-N 2.59Å; Y317-S320 WeakPolarHBondContact O-CB 3.45Å; Y317-S320 PolarHBondContact O-N 3.22Å; Y317-S320 PolarHBondContact O-OG 3.1Å; L318-S320 PolarHBondContact O-N 3.48Å; S320-K335 PolarHBondContact O-NZ 3.4Å; S320-K335 VanDerWaalsContact O-NZ 3.15Å; S320-K335 PolarHBondContact OG-NZ 2.94Å |
| 321 | Y | 91.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -13.8 | 172.5 | -72.9 | -95.2 | 0 | 0 | 0 | 113.5 | Y317 L318 K319 K332 K335 L336 L364 | Y317-Y321 HydrophobicContact CD1-CE2 4.18Å; Y317-Y321 AromaticContact CE1-CE2 3.68Å; Y317-Y321 HydrophobicContact CE1-CE2 3.68Å; Y317-Y321 HydrophobicContact CE2-CE2 4.29Å; Y317-Y321 AromaticContact CZ-CE2 3.73Å; Y317-Y321 WeakPolarHBondContact O-CD2 3.43Å; Y317-Y321 PolarHBondContact OH-OH 3.44Å; L318-Y321 WeakPolarHBondContact O-CB 3.34Å; L318-Y321 PolarHBondContact O-N 3.17Å; K319-Y321 PolarHBondContact O-N 3.47Å; Y321-K332 HydrophobicContact CD1-CB 3.98Å; Y321-K332 HydrophobicContact CD1-CD 4.21Å; Y321-K332 HydrophobicContact CD1-CG 3.85Å; Y321-K332 HydrophobicContact CE1-CB 4.05Å; Y321-K332 HydrophobicContact CE1-CG 4.37Å; Y321-K335 HydrophobicContact CE1-CD 4.11Å; Y321-K335 HydrophobicContact CE1-CG 4.48Å; Y321-K335 HydrophobicContact CE2-CD 4.49Å; Y321-L336 WeakPolarHBondContact OH-CA 3.1Å; Y321-L336 PolarHBondContact OH-N 2.68Å; Y321-L364 HydrophobicContact CD1-CD1 4.28Å; Y321-L364 HydrophobicContact CD1-CD2 3.85Å; Y321-L364 HydrophobicContact CD2-CD2 3.86Å; Y321-L364 HydrophobicContact CE1-CD2 3.79Å; Y321-L364 HydrophobicContact CE2-CD2 3.8Å; Y321-L364 HydrophobicContact CG-CD1 4.42Å; Y321-L364 HydrophobicContact CG-CD2 3.88Å |
| 322 | V | 87.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -12.2 | 179.4 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | W159 K319 | W159-V322 HydrophobicContact CD2-CG2 4.34Å; W159-V322 HydrophobicContact CG-CG1 4.35Å; W159-V322 HydrophobicContact CZ2-CG2 4.13Å; K319-V322 WeakPolarHBondContact O-CG2 3.21Å; K319-V322 PolarHBondContact O-N 3.2Å |
| 323 | D | 84 | Confident | 90.2 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -64.3 | 150.6 | 174.3 | -78.6 | -21.1 | 0 | 0 | 0 | 112.4 | K319 P325 | K319-D323 IonicContact NZ-OD1 2.68Å; K319-D323 PolarHBondContact NZ-OD1 3.22Å; K319-D323 IonicContact NZ-OD2 3.53Å; K319-D323 PolarHBondContact NZ-OD2 3.32Å; K319-D323 PolarHBondContact O-N 2.93Å; D323-P325 CarbonylContact O-C 3.59Å |
| 324 | L | 76.8 | Confident | 90.3 | Very high | 150 Ų | 150 | 56.6 Ų | 56.6 | 79% | 0.785 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -84.8 | 143.9 | 175.5 | -74.6 | 162.2 | 0 | 0 | 0 | 111.3 | L326 | L324-L326 HydrophobicContact CD2-CD1 4.3Å; L324-L326 HydrophobicContact CD2-CG 3.9Å |
| 325 | P | 80.4 | Confident | 90.3 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | S | Bend | cis | -70.4 | 138.9 | -3 | 30 | -34.1 | 0 | 0 | 0 | 111.9 | D323 M327 | D323-P325 CarbonylContact O-C 3.59Å; P325-M327 PolarHBondContact O-N 2.98Å |
| 326 | L | 78.5 | Confident | 90.3 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 125.1 | -179.2 | -73.7 | 166.6 | 0 | 0 | 0 | 109.8 | L324 | L324-L326 HydrophobicContact CD2-CD1 4.3Å; L324-L326 HydrophobicContact CD2-CG 3.9Å |
| 327 | M | 87.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 143.8 | 171 | -60.5 | 176.7 | 67.4 | 0 | 0 | 110 | P325 E331 K332 K335 | P325-M327 PolarHBondContact O-N 2.98Å; M327-E331 HydrophobicContact CB-CB 4.23Å; M327-E331 HydrophobicContact CE-CB 3.72Å; M327-E331 VanDerWaalsContact CE-O 3.32Å; M327-E331 WeakPolarHBondContact CE-O 3.49Å; M327-K332 HydrophobicContact CB-CG 3.83Å; M327-K332 VanDerWaalsContact O-CE 3.25Å; M327-K332 WeakPolarHBondContact O-CE 3.4Å; M327-K335 HydrophobicContact CE-CB 3.92Å; M327-K335 HydrophobicContact CE-CD 3.82Å; M327-K335 HydrophobicContact SD-CD 3.82Å |
| 328 | S | 89.8 | Confident | 90.3 | Very high | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.8 | 164.4 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | D330 E331 K332 | S328-D330 PolarHBondContact O-N 3.1Å; S328-E331 WeakPolarHBondContact CB-OE2 3.48Å; S328-E331 PolarHBondContact N-OE2 3.38Å; S328-E331 WeakPolarHBondContact O-CB 3.27Å; S328-E331 PolarHBondContact O-N 3.07Å; S328-E331 VanDerWaalsContact O-N 3.12Å; S328-E331 WeakPolarHBondContact OG-CG 3.29Å; S328-E331 PolarHBondContact OG-N 3.38Å; S328-E331 PolarHBondContact OG-OE2 3.08Å; S328-K332 WeakPolarHBondContact O-CG 3.23Å; S328-K332 PolarHBondContact O-N 3.49Å |
| 329 | D | 90.5 | Very high | 90.3 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.8 | -29.2 | -177 | -67 | -21.7 | 0 | 0 | 0 | 112.6 | K332 V333 L368 S371 | D329-K332 WeakPolarHBondContact O-CB 3.35Å; D329-K332 PolarHBondContact O-N 2.92Å; D329-K332 IonicContact OD1-NZ 3.78Å; D329-K332 PolarHBondContact OD1-NZ 2.83Å; D329-V333 WeakPolarHBondContact O-CG2 3.33Å; D329-V333 PolarHBondContact O-N 2.73Å; D329-L368 HydrophobicContact CB-CD2 3.91Å; D329-S371 VanDerWaalsContact CG-OG 3.31Å; D329-S371 WeakPolarHBondContact OD2-CB 3.38Å; D329-S371 PolarHBondContact OD2-OG 3.13Å |
| 330 | D | 92.6 | Very high | 90.2 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 171.9 | -72.5 | 26.7 | 0 | 0 | 0 | 111.2 | S328 K332 V333 E334 V372 R373 T374 A377 | S328-D330 PolarHBondContact O-N 3.1Å; D330-K332 VanDerWaalsContact C-N 3.32Å; D330-K332 PolarHBondContact O-N 3.2Å; D330-V333 PolarHBondContact O-N 3.38Å; D330-E334 PolarHBondContact O-N 2.97Å; D330-V372 VanDerWaalsContact OD1-CA 3.27Å; D330-V372 WeakPolarHBondContact OD1-CA 3.35Å; D330-V372 WeakPolarHBondContact OD1-CG1 3.34Å; D330-R373 PolarHBondContact OD1-N 3.36Å; D330-T374 VanDerWaalsContact OD2-CB 3.24Å; D330-T374 WeakPolarHBondContact OD2-CB 3.31Å; D330-T374 WeakPolarHBondContact OD2-CG2 3.37Å; D330-T374 PolarHBondContact OD2-N 3.19Å; D330-T374 PolarHBondContact OD2-OG1 3.48Å; D330-A377 HydrophobicContact CB-CB 4.03Å |
| 331 | E | 93.6 | Very high | 90.1 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 174.3 | -70.6 | 164 | 147.8 | 0 | 0 | 111.9 | M327 S328 E334 K335 | M327-E331 HydrophobicContact CB-CB 4.23Å; M327-E331 HydrophobicContact CE-CB 3.72Å; M327-E331 VanDerWaalsContact CE-O 3.32Å; M327-E331 WeakPolarHBondContact CE-O 3.49Å; S328-E331 WeakPolarHBondContact CB-OE2 3.48Å; S328-E331 PolarHBondContact N-OE2 3.38Å; S328-E331 WeakPolarHBondContact O-CB 3.27Å; S328-E331 PolarHBondContact O-N 3.07Å; S328-E331 VanDerWaalsContact O-N 3.12Å; S328-E331 WeakPolarHBondContact OG-CG 3.29Å; S328-E331 PolarHBondContact OG-N 3.38Å; S328-E331 PolarHBondContact OG-OE2 3.08Å; E331-E334 PolarHBondContact O-N 3.34Å; E331-K335 WeakPolarHBondContact O-CB 3.48Å; E331-K335 PolarHBondContact O-N 3.06Å |
| 332 | K | 94.1 | Very high | 90 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.3 | -66.9 | 177.8 | -170.1 | 154.3 | 0 | 111.2 | Y321 M327 S328 D329 D330 L336 L368 | Y321-K332 HydrophobicContact CD1-CB 3.98Å; Y321-K332 HydrophobicContact CD1-CD 4.21Å; Y321-K332 HydrophobicContact CD1-CG 3.85Å; Y321-K332 HydrophobicContact CE1-CB 4.05Å; Y321-K332 HydrophobicContact CE1-CG 4.37Å; M327-K332 HydrophobicContact CB-CG 3.83Å; M327-K332 VanDerWaalsContact O-CE 3.25Å; M327-K332 WeakPolarHBondContact O-CE 3.4Å; S328-K332 WeakPolarHBondContact O-CG 3.23Å; S328-K332 PolarHBondContact O-N 3.49Å; D329-K332 WeakPolarHBondContact O-CB 3.35Å; D329-K332 PolarHBondContact O-N 2.92Å; D329-K332 IonicContact OD1-NZ 3.78Å; D329-K332 PolarHBondContact OD1-NZ 2.83Å; D330-K332 VanDerWaalsContact C-N 3.32Å; D330-K332 PolarHBondContact O-N 3.2Å; K332-L336 WeakPolarHBondContact O-CB 3.48Å; K332-L336 PolarHBondContact O-N 3.27Å; K332-L368 HydrophobicContact CB-CD1 4.02Å; K332-L368 HydrophobicContact CB-CD2 4.04Å; K332-L368 HydrophobicContact CD-CD2 3.82Å |
| 333 | V | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | D329 D330 L336 S337 L368 V372 A377 R380 L381 I384 | D329-V333 WeakPolarHBondContact O-CG2 3.33Å; D329-V333 PolarHBondContact O-N 2.73Å; D330-V333 PolarHBondContact O-N 3.38Å; V333-L336 PolarHBondContact O-N 3.01Å; V333-S337 VanDerWaalsContact O-CB 3.3Å; V333-S337 WeakPolarHBondContact O-CB 3.43Å; V333-S337 PolarHBondContact O-N 2.93Å; V333-L368 HydrophobicContact CG2-CB 4.04Å; V333-L368 HydrophobicContact CG2-CD1 3.69Å; V333-L368 HydrophobicContact CG2-CG 4.43Å; V333-V372 HydrophobicContact CG2-CG2 3.62Å; V333-A377 HydrophobicContact CB-CB 4.49Å; V333-A377 HydrophobicContact CG1-CB 4.48Å; V333-R380 HydrophobicContact CG1-CB 3.79Å; V333-L381 HydrophobicContact CG1-CB 4.19Å; V333-L381 HydrophobicContact CG2-CB 4.45Å; V333-L381 HydrophobicContact CG2-CD1 4.38Å; V333-I384 HydrophobicContact CG1-CD1 4.08Å |
| 334 | E | 94.7 | Very high | 90.3 | Very high | 95 Ų | 95 | 62 Ų | 62 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 178 | -175.2 | 178 | 178.3 | 0 | 0 | 111.8 | D330 E331 L336 S337 N338 | D330-E334 PolarHBondContact O-N 2.97Å; E331-E334 PolarHBondContact O-N 3.34Å; E334-L336 PolarHBondContact O-N 3.22Å; E334-S337 WeakPolarHBondContact O-CB 3.46Å; E334-S337 PolarHBondContact O-N 3.32Å; E334-N338 PolarHBondContact O-N 2.92Å; E334-N338 PolarHBondContact O-ND2 3.32Å |
| 335 | K | 94.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 62 Ų | 62 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 176.1 | 178.4 | 179.9 | 172.7 | -173 | 0 | 112.1 | S320 Y321 M327 E331 S337 N338 D339 | S320-K335 PolarHBondContact O-NZ 3.4Å; S320-K335 VanDerWaalsContact O-NZ 3.15Å; S320-K335 PolarHBondContact OG-NZ 2.94Å; Y321-K335 HydrophobicContact CE1-CD 4.11Å; Y321-K335 HydrophobicContact CE1-CG 4.48Å; Y321-K335 HydrophobicContact CE2-CD 4.49Å; M327-K335 HydrophobicContact CE-CB 3.92Å; M327-K335 HydrophobicContact CE-CD 3.82Å; M327-K335 HydrophobicContact SD-CD 3.82Å; E331-K335 WeakPolarHBondContact O-CB 3.48Å; E331-K335 PolarHBondContact O-N 3.06Å; K335-S337 VanDerWaalsContact C-N 3.29Å; K335-S337 PolarHBondContact O-N 3.44Å; K335-N338 PolarHBondContact O-N 2.87Å; K335-D339 WeakPolarHBondContact CG-OD2 3.38Å; K335-D339 WeakPolarHBondContact O-CB 3.34Å; K335-D339 PolarHBondContact O-N 3.32Å |
| 336 | L | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 178.4 | -178.6 | 60.1 | 0 | 0 | 0 | 111.6 | Y321 K332 V333 E334 D339 M340 V361 A365 I384 | Y321-L336 WeakPolarHBondContact OH-CA 3.1Å; Y321-L336 PolarHBondContact OH-N 2.68Å; K332-L336 WeakPolarHBondContact O-CB 3.48Å; K332-L336 PolarHBondContact O-N 3.27Å; V333-L336 PolarHBondContact O-N 3.01Å; E334-L336 PolarHBondContact O-N 3.22Å; L336-D339 PolarHBondContact O-N 3.49Å; L336-M340 HydrophobicContact CD1-CE 4.33Å; L336-M340 HydrophobicContact CG-CE 4.05Å; L336-M340 PolarHBondContact O-N 3.44Å; L336-M340 VanDerWaalsContact O-N 3.11Å; L336-V361 HydrophobicContact CD1-CG1 3.74Å; L336-A365 HydrophobicContact CD2-CB 3.87Å; L336-I384 HydrophobicContact CB-CD1 4.38Å; L336-I384 HydrophobicContact CD2-CD1 4.26Å; L336-I384 HydrophobicContact CD2-CG2 4.23Å; L336-I384 HydrophobicContact CG-CD1 4.19Å |
| 337 | S | 94.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.6 | -168.1 | 0 | 0 | 0 | 0 | 111.8 | V333 E334 K335 M340 | V333-S337 VanDerWaalsContact O-CB 3.3Å; V333-S337 WeakPolarHBondContact O-CB 3.43Å; V333-S337 PolarHBondContact O-N 2.93Å; E334-S337 WeakPolarHBondContact O-CB 3.46Å; E334-S337 PolarHBondContact O-N 3.32Å; K335-S337 VanDerWaalsContact C-N 3.29Å; K335-S337 PolarHBondContact O-N 3.44Å; S337-M340 VanDerWaalsContact O-CB 3.23Å; S337-M340 WeakPolarHBondContact O-CB 3.04Å; S337-M340 PolarHBondContact O-N 3.47Å |
| 338 | N | 94.4 | Very high | 91.5 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71.3 | -36.2 | -179.1 | -68.5 | -22.7 | 0 | 0 | 0 | 112.1 | E334 K335 M340 | E334-N338 PolarHBondContact O-N 2.92Å; E334-N338 PolarHBondContact O-ND2 3.32Å; K335-N338 PolarHBondContact O-N 2.87Å; N338-M340 VanDerWaalsContact C-N 3.27Å; N338-M340 PolarHBondContact O-N 3.45Å |
| 339 | D | 93.6 | Very high | 90.8 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81.3 | -5 | 179.3 | -70.3 | -25.6 | 0 | 0 | 0 | 113.2 | Y317 K335 L336 E341 R342 V343 | Y317-D339 HydrophobicContact CE2-CB 4.09Å; Y317-D339 VanDerWaalsContact CE2-OD2 3.27Å; Y317-D339 WeakPolarHBondContact CE2-OD2 3.09Å; Y317-D339 VanDerWaalsContact OH-CB 3.23Å; Y317-D339 WeakPolarHBondContact OH-CB 3.49Å; Y317-D339 PolarHBondContact OH-OD2 3.06Å; Y317-D339 VanDerWaalsContact OH-OD2 3.11Å; K335-D339 WeakPolarHBondContact CG-OD2 3.38Å; K335-D339 WeakPolarHBondContact O-CB 3.34Å; K335-D339 PolarHBondContact O-N 3.32Å; L336-D339 PolarHBondContact O-N 3.49Å; D339-E341 PolarHBondContact O-N 2.81Å; D339-R342 WeakPolarHBondContact O-CB 3.38Å; D339-R342 PolarHBondContact O-N 3.24Å; D339-V343 HydrophobicContact CB-CG2 4.33Å; D339-V343 WeakPolarHBondContact O-CG2 3.49Å; D339-V343 PolarHBondContact O-N 2.58Å |
| 340 | M | 91.1 | Very high | 90 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.1 | -45.5 | -168.5 | -171.5 | 127.9 | -60.4 | 0 | 0 | 113.7 | L336 S337 N338 V343 F344 I384 R387 F388 | L336-M340 HydrophobicContact CD1-CE 4.33Å; L336-M340 HydrophobicContact CG-CE 4.05Å; L336-M340 PolarHBondContact O-N 3.44Å; L336-M340 VanDerWaalsContact O-N 3.11Å; S337-M340 VanDerWaalsContact O-CB 3.23Å; S337-M340 WeakPolarHBondContact O-CB 3.04Å; S337-M340 PolarHBondContact O-N 3.47Å; N338-M340 VanDerWaalsContact C-N 3.27Å; N338-M340 PolarHBondContact O-N 3.45Å; M340-V343 WeakPolarHBondContact O-CB 3.29Å; M340-V343 PolarHBondContact O-N 3.32Å; M340-F344 HydrophobicContact CB-CE2 4.43Å; M340-F344 HydrophobicContact CG-CD2 4Å; M340-F344 HydrophobicContact CG-CE1 4.39Å; M340-F344 HydrophobicContact CG-CE2 3.16Å; M340-F344 HydrophobicContact CG-CZ 3.4Å; M340-F344 WeakPolarHBondContact O-CD2 3.42Å; M340-F344 VanDerWaalsContact O-CG 3.31Å; M340-F344 WeakPolarHBondContact O-CG 3.26Å; M340-F344 PolarHBondContact O-N 3.41Å; M340-F344 HydrophobicContact SD-CE2 4.03Å; M340-F344 HydrophobicContact SD-CZ 3.77Å; M340-I384 HydrophobicContact CE-CB 4.06Å; M340-I384 HydrophobicContact CE-CD1 4.23Å; M340-I384 HydrophobicContact CE-CG1 3.6Å; M340-I384 HydrophobicContact CE-CG2 3.69Å; M340-I384 HydrophobicContact SD-CB 4.29Å; M340-I384 HydrophobicContact SD-CG1 3.87Å; M340-I384 HydrophobicContact SD-CG2 4.39Å; M340-R387 HydrophobicContact SD-CB 4.26Å; M340-R387 HydrophobicContact SD-CG 4.19Å; M340-F388 HydrophobicContact CE-CE2 4.28Å |
| 341 | E | 91 | Very high | 89.1 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.5 | -67.2 | -57.6 | 142.6 | 0 | 0 | 112 | D339 F344 E345 R387 | D339-E341 PolarHBondContact O-N 2.81Å; E341-F344 PolarHBondContact O-N 3.48Å; E341-E345 PolarHBondContact O-N 3.16Å; E341-R387 IonicContact OE1-CZ 3.15Å; E341-R387 IonicContact OE1-NH2 2.63Å; E341-R387 PolarHBondContact OE1-NH2 3.49Å; E341-R387 IonicContact OE2-NH2 3.37Å |
| 342 | R | 90 | Very high | 88.1 | Confident | 152 Ų | 152 | 68.5 Ų | 68.5 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 175.3 | -178.3 | -177.3 | 179.2 | -175.3 | 0.7 | 111 | D339 F344 E345 M346 | D339-R342 WeakPolarHBondContact O-CB 3.38Å; D339-R342 PolarHBondContact O-N 3.24Å; R342-F344 VanDerWaalsContact C-N 3.34Å; R342-F344 PolarHBondContact O-N 3.49Å; R342-E345 PolarHBondContact O-N 3.14Å; R342-M346 VanDerWaalsContact O-CG 3.29Å; R342-M346 WeakPolarHBondContact O-CG 3.17Å; R342-M346 PolarHBondContact O-N 2.85Å; R342-M346 VanDerWaalsContact O-N 3.13Å |
| 343 | V | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.2 | -51.6 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 108.9 | F313 Y317 D339 M340 E345 M346 F347 V361 | F313-V343 HydrophobicContact CZ-CG2 4.16Å; Y317-V343 HydrophobicContact CE1-CG2 3.95Å; Y317-V343 HydrophobicContact CE2-CG2 4.41Å; D339-V343 HydrophobicContact CB-CG2 4.33Å; D339-V343 WeakPolarHBondContact O-CG2 3.49Å; D339-V343 PolarHBondContact O-N 2.58Å; M340-V343 WeakPolarHBondContact O-CB 3.29Å; M340-V343 PolarHBondContact O-N 3.32Å; V343-E345 PolarHBondContact O-N 2.72Å; V343-M346 PolarHBondContact O-N 3.38Å; V343-M346 VanDerWaalsContact O-N 3.17Å; V343-F347 HydrophobicContact CG1-CD2 3.83Å; V343-F347 HydrophobicContact CG1-CE2 3.8Å; V343-F347 WeakPolarHBondContact O-CD2 3.4Å; V343-F347 PolarHBondContact O-N 2.83Å; V343-V361 HydrophobicContact CG1-CG1 4.32Å; V343-V361 HydrophobicContact CG1-CG2 4.5Å |
| 344 | F | 86.8 | Confident | 86.9 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 5% | 0.053 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | -179.6 | -62.1 | -34.1 | 0 | 0 | 0 | 114.2 | M340 E341 R342 M346 F347 K348 I358 R387 F388 L391 | M340-F344 HydrophobicContact CB-CE2 4.43Å; M340-F344 HydrophobicContact CG-CD2 4Å; M340-F344 HydrophobicContact CG-CE1 4.39Å; M340-F344 HydrophobicContact CG-CE2 3.16Å; M340-F344 HydrophobicContact CG-CZ 3.4Å; M340-F344 WeakPolarHBondContact O-CD2 3.42Å; M340-F344 VanDerWaalsContact O-CG 3.31Å; M340-F344 WeakPolarHBondContact O-CG 3.26Å; M340-F344 PolarHBondContact O-N 3.41Å; M340-F344 HydrophobicContact SD-CE2 4.03Å; M340-F344 HydrophobicContact SD-CZ 3.77Å; E341-F344 PolarHBondContact O-N 3.48Å; R342-F344 VanDerWaalsContact C-N 3.34Å; R342-F344 PolarHBondContact O-N 3.49Å; F344-M346 VanDerWaalsContact C-N 3.25Å; F344-M346 PolarHBondContact O-N 3.27Å; F344-F347 PolarHBondContact O-N 3.05Å; F344-K348 VanDerWaalsContact O-CG 3.31Å; F344-K348 WeakPolarHBondContact O-CG 3.46Å; F344-K348 PolarHBondContact O-N 3.19Å; F344-K348 VanDerWaalsContact O-N 3.14Å; F344-I358 HydrophobicContact CD1-CD1 4.26Å; F344-I358 HydrophobicContact CE1-CD1 4.29Å; F344-R387 HydrophobicContact CE1-CG 4.48Å; F344-R387 HydrophobicContact CE2-CG 3.28Å; F344-R387 HydrophobicContact CZ-CB 4.16Å; F344-R387 HydrophobicContact CZ-CG 3.26Å; F344-F388 HydrophobicContact CE1-CE1 4.41Å; F344-L391 HydrophobicContact CD1-CD1 3.45Å; F344-L391 VanDerWaalsContact CD1-CD1 3.45Å; F344-L391 HydrophobicContact CE1-CD1 3.2Å; F344-L391 HydrophobicContact CE2-CD1 4.49Å; F344-L391 HydrophobicContact CG-CD1 4.24Å; F344-L391 HydrophobicContact CZ-CD1 3.79Å |
| 345 | E | 88 | Confident | 86.5 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.8 | -39.3 | 175.9 | -168.7 | 174.8 | -170.6 | 0 | 0 | 111.6 | E341 R342 V343 | E341-E345 PolarHBondContact O-N 3.16Å; R342-E345 PolarHBondContact O-N 3.14Å; V343-E345 PolarHBondContact O-N 2.72Å |
| 346 | M | 87.5 | Confident | 86.3 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 42% | 0.424 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.3 | -29 | 178.7 | -66.6 | -58.6 | -55.2 | 0 | 0 | 114.1 | I309 F313 R342 V343 F344 | I309-M346 WeakPolarHBondContact CD1-O 3.39Å; F313-M346 HydrophobicContact CB-CE 4Å; F313-M346 HydrophobicContact CD1-CB 4.05Å; F313-M346 HydrophobicContact CD1-CG 4.29Å; F313-M346 HydrophobicContact CD2-CG 4.19Å; F313-M346 HydrophobicContact CE1-CB 4.16Å; F313-M346 HydrophobicContact CE1-CG 4.35Å; F313-M346 HydrophobicContact CE2-CG 4.25Å; F313-M346 HydrophobicContact CG-CB 4.4Å; F313-M346 HydrophobicContact CG-CE 4.25Å; F313-M346 HydrophobicContact CG-CG 4.22Å; F313-M346 HydrophobicContact CZ-CG 4.33Å; R342-M346 VanDerWaalsContact O-CG 3.29Å; R342-M346 WeakPolarHBondContact O-CG 3.17Å; R342-M346 PolarHBondContact O-N 2.85Å; R342-M346 VanDerWaalsContact O-N 3.13Å; V343-M346 PolarHBondContact O-N 3.38Å; V343-M346 VanDerWaalsContact O-N 3.17Å; F344-M346 VanDerWaalsContact C-N 3.25Å; F344-M346 PolarHBondContact O-N 3.27Å |
| 347 | F | 88.8 | Confident | 86 | Confident | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.009 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -93.1 | -3.1 | 179.1 | -71.2 | -79.2 | 0 | 0 | 0 | 113.9 | I309 F313 L314 V343 F344 V354 D355 S357 I358 V361 | I309-F347 HydrophobicContact CD1-CD1 3.42Å; I309-F347 VanDerWaalsContact CD1-CD1 3.42Å; I309-F347 HydrophobicContact CD1-CE1 3.33Å; I309-F347 HydrophobicContact CD1-CE2 4.48Å; I309-F347 HydrophobicContact CD1-CG 4.03Å; I309-F347 HydrophobicContact CD1-CZ 3.89Å; I309-F347 HydrophobicContact CG1-CE1 4.17Å; F313-F347 HydrophobicContact CD1-CE2 4.33Å; F313-F347 HydrophobicContact CD1-CZ 4.41Å; F313-F347 AromaticContact CE1-CE2 3.9Å; F313-F347 HydrophobicContact CE1-CE2 3.9Å; F313-F347 HydrophobicContact CE1-CZ 4.34Å; L314-F347 HydrophobicContact CD1-CZ 4.07Å; V343-F347 HydrophobicContact CG1-CD2 3.83Å; V343-F347 HydrophobicContact CG1-CE2 3.8Å; V343-F347 WeakPolarHBondContact O-CD2 3.4Å; V343-F347 PolarHBondContact O-N 2.83Å; F344-F347 PolarHBondContact O-N 3.05Å; F347-V354 HydrophobicContact CB-CG1 4.33Å; F347-D355 HydrophobicContact CD1-CB 4.12Å; F347-D355 PolarHBondContact O-N 3.2Å; F347-S357 VanDerWaalsContact CE1-C 3.5Å; F347-I358 HydrophobicContact CD1-CB 4.04Å; F347-I358 HydrophobicContact CD2-CB 4.49Å; F347-I358 HydrophobicContact CD2-CG1 4.39Å; F347-I358 HydrophobicContact CE1-CB 4.47Å; F347-I358 HydrophobicContact CG-CB 4.11Å; F347-I358 HydrophobicContact CG-CG1 4.4Å; F347-V361 HydrophobicContact CE2-CG2 3.92Å; F347-V361 HydrophobicContact CZ-CG2 3.97Å |
| 348 | K | 84.9 | Confident | 85.9 | Confident | 124 Ų | 124 | 70.5 Ų | 70.5 | 54% | 0.539 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 122.4 | 174.3 | -80.8 | 173.5 | -172.2 | 176.9 | 0 | 110.3 | F344 | F344-K348 VanDerWaalsContact O-CG 3.31Å; F344-K348 WeakPolarHBondContact O-CG 3.46Å; F344-K348 PolarHBondContact O-N 3.19Å; F344-K348 VanDerWaalsContact O-N 3.14Å |
| 349 | S | 75.4 | Confident | 85.8 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | trans | -78.3 | 171.2 | 171.7 | 80.4 | 0 | 0 | 0 | 0 | 111.8 | D351 N352 S353 | S349-D351 PolarHBondContact O-N 3.1Å; S349-D351 VanDerWaalsContact O-N 3.14Å; S349-D351 PolarHBondContact OG-N 3.36Å; S349-N352 PolarHBondContact O-N 2.73Å; S349-S353 VanDerWaalsContact CB-O 3.32Å; S349-S353 WeakPolarHBondContact CB-O 3.32Å; S349-S353 PolarHBondContact N-O 3.16Å; S349-S353 PolarHBondContact OG-N 3.19Å; S349-S353 VanDerWaalsContact OG-N 3.14Å; S349-S353 PolarHBondContact OG-O 3.39Å; S349-S353 PolarHBondContact OG-OG 2.68Å | ||
| 350 | S | 73.1 | Confident | 85.8 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 83% | 0.825 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.9 | 174 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | N352 | S350-N352 VanDerWaalsContact C-N 3.34Š|
| 351 | D | 74.3 | Confident | 85.9 | Confident | 134 Ų | 134 | 63.4 Ų | 63.4 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 13.9 | -173.1 | -63 | 2.1 | 0 | 0 | 0 | 111.7 | S349 S353 | S349-D351 PolarHBondContact O-N 3.1Å; S349-D351 VanDerWaalsContact O-N 3.14Å; S349-D351 PolarHBondContact OG-N 3.36Å; D351-S353 PolarHBondContact O-N 3.48Å; D351-S353 VanDerWaalsContact O-N 3.1Å |
| 352 | N | 72.2 | Confident | 86.1 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 75% | 0.754 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 58.1 | 10.8 | -169.5 | -74.7 | -34.1 | 0 | 0 | 0 | 114.5 | S349 S350 | S349-N352 PolarHBondContact O-N 2.73Å; S350-N352 VanDerWaalsContact C-N 3.34Å |
| 353 | S | 80 | Confident | 86.3 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 148.8 | 169.6 | 65.8 | 0 | 0 | 0 | 0 | 110 | S349 D351 | S349-S353 VanDerWaalsContact CB-O 3.32Å; S349-S353 WeakPolarHBondContact CB-O 3.32Å; S349-S353 PolarHBondContact N-O 3.16Å; S349-S353 PolarHBondContact OG-N 3.19Å; S349-S353 VanDerWaalsContact OG-N 3.14Å; S349-S353 PolarHBondContact OG-O 3.39Å; S349-S353 PolarHBondContact OG-OG 2.68Å; D351-S353 PolarHBondContact O-N 3.48Å; D351-S353 VanDerWaalsContact O-N 3.1Å |
| 354 | V | 84.3 | Confident | 86.5 | Confident | 45 Ų | 45 | 52 Ų | 52 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 130.1 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | F347 I358 L391 | F347-V354 HydrophobicContact CB-CG1 4.33Å; V354-I358 HydrophobicContact CG1-CB 4.12Å; V354-I358 HydrophobicContact CG1-CD1 3.7Å; V354-I358 HydrophobicContact CG1-CG2 3.84Å; V354-L391 HydrophobicContact CG2-CB 4.28Å; V354-L391 HydrophobicContact CG2-CD2 4.03Å |
| 355 | D | 87.8 | Confident | 86.9 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129.2 | 176.2 | -176.2 | -57.6 | 0 | 0 | 0 | 110.1 | F347 S357 I358 | F347-D355 HydrophobicContact CD1-CB 4.12Å; F347-D355 PolarHBondContact O-N 3.2Å; D355-S357 PolarHBondContact O-N 3.42Å; D355-S357 WeakPolarHBondContact OD1-CA 3.49Å; D355-S357 WeakPolarHBondContact OD1-CB 3.49Å; D355-S357 PolarHBondContact OD1-N 3.13Å; D355-S357 PolarHBondContact OD1-OG 2.59Å; D355-I358 WeakPolarHBondContact O-CB 3.43Å; D355-I358 WeakPolarHBondContact O-CG2 3.46Å; D355-I358 PolarHBondContact O-N 2.74Å |
| 356 | P | 89.4 | Confident | 87.1 | Confident | 80 Ų | 80 | 45 Ų | 45 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.2 | -178.4 | -26.6 | 34.5 | 0 | 0 | 0 | 114.5 | V121 I358 L359 | V121-P356 HydrophobicContact CB-CB 4.26Å; V121-P356 HydrophobicContact CG1-CB 4.01Å; V121-P356 HydrophobicContact CG2-CB 4.47Å; P356-I358 PolarHBondContact O-N 3.11Å; P356-L359 WeakPolarHBondContact O-CB 3.4Å; P356-L359 VanDerWaalsContact O-CG 3.27Å; P356-L359 WeakPolarHBondContact O-CG 3.45Å; P356-L359 PolarHBondContact O-N 3.32Å; P356-L359 VanDerWaalsContact O-N 3.08Å |
| 357 | S | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.8 | 177.4 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | V121 F310 F347 D355 L359 T360 | V121-S357 WeakPolarHBondContact CG2-OG 3.36Å; F310-S357 WeakPolarHBondContact CE1-OG 3.38Å; F347-S357 VanDerWaalsContact CE1-C 3.5Å; D355-S357 PolarHBondContact O-N 3.42Å; D355-S357 WeakPolarHBondContact OD1-CA 3.49Å; D355-S357 WeakPolarHBondContact OD1-CB 3.49Å; D355-S357 PolarHBondContact OD1-N 3.13Å; D355-S357 PolarHBondContact OD1-OG 2.59Å; S357-L359 PolarHBondContact O-N 3.12Å; S357-L359 VanDerWaalsContact O-N 3.12Å; S357-T360 WeakPolarHBondContact O-CB 3.46Å; S357-T360 PolarHBondContact O-N 3.13Å; S357-T360 PolarHBondContact O-OG1 2.88Å |
| 358 | I | 92.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.8 | -26.8 | 172.1 | -164.3 | 167.4 | 0 | 0 | 0 | 113.1 | F344 F347 V354 D355 P356 T360 V361 L362 F388 L391 V392 | F344-I358 HydrophobicContact CD1-CD1 4.26Å; F344-I358 HydrophobicContact CE1-CD1 4.29Å; F347-I358 HydrophobicContact CD1-CB 4.04Å; F347-I358 HydrophobicContact CD2-CB 4.49Å; F347-I358 HydrophobicContact CD2-CG1 4.39Å; F347-I358 HydrophobicContact CE1-CB 4.47Å; F347-I358 HydrophobicContact CG-CB 4.11Å; F347-I358 HydrophobicContact CG-CG1 4.4Å; V354-I358 HydrophobicContact CG1-CB 4.12Å; V354-I358 HydrophobicContact CG1-CD1 3.7Å; V354-I358 HydrophobicContact CG1-CG2 3.84Å; D355-I358 WeakPolarHBondContact O-CB 3.43Å; D355-I358 WeakPolarHBondContact O-CG2 3.46Å; D355-I358 PolarHBondContact O-N 2.74Å; P356-I358 PolarHBondContact O-N 3.11Å; I358-T360 PolarHBondContact O-N 3.34Å; I358-T360 VanDerWaalsContact O-N 3.16Å; I358-V361 PolarHBondContact O-N 2.79Å; I358-L362 PolarHBondContact O-N 3.17Å; I358-F388 HydrophobicContact CD1-CD1 4.13Å; I358-F388 HydrophobicContact CD1-CE1 3.94Å; I358-F388 HydrophobicContact CG1-CD1 4.11Å; I358-F388 HydrophobicContact CG1-CE1 3.65Å; I358-L391 HydrophobicContact CD1-CB 4.43Å; I358-L391 HydrophobicContact CD1-CD1 3.91Å; I358-V392 HydrophobicContact CG2-CG1 4.32Å |
| 359 | L | 92.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -25.7 | 177.1 | -65.2 | -179.6 | 0 | 0 | 0 | 113.2 | T119 V121 P356 S357 L362 S363 V392 V396 | T119-L359 HydrophobicContact CG2-CD1 4.02Å; V121-L359 HydrophobicContact CG1-CD1 4.1Å; P356-L359 WeakPolarHBondContact O-CB 3.4Å; P356-L359 VanDerWaalsContact O-CG 3.27Å; P356-L359 WeakPolarHBondContact O-CG 3.45Å; P356-L359 PolarHBondContact O-N 3.32Å; P356-L359 VanDerWaalsContact O-N 3.08Å; S357-L359 PolarHBondContact O-N 3.12Å; S357-L359 VanDerWaalsContact O-N 3.12Å; L359-L362 HydrophobicContact CD2-CD2 4.13Å; L359-L362 PolarHBondContact O-N 3.1Å; L359-S363 PolarHBondContact O-N 2.94Å; L359-S363 PolarHBondContact O-OG 2.89Å; L359-V392 HydrophobicContact CD2-CG1 4.08Å; L359-V396 HydrophobicContact CD2-CG1 3.58Å; L359-V396 HydrophobicContact CD2-CG2 4.24Å |
| 360 | T | 92.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | W125 L314 S357 I358 S363 L364 | W125-T360 HydrophobicContact CB-CG2 4.01Å; W125-T360 HydrophobicContact CD2-CG2 4.16Å; W125-T360 HydrophobicContact CG-CG2 3.67Å; L314-T360 WeakPolarHBondContact CD1-OG1 3.43Å; L314-T360 HydrophobicContact CD2-CG2 4.11Å; L314-T360 WeakPolarHBondContact CD2-OG1 3.01Å; S357-T360 WeakPolarHBondContact O-CB 3.46Å; S357-T360 PolarHBondContact O-N 3.13Å; S357-T360 PolarHBondContact O-OG1 2.88Å; I358-T360 PolarHBondContact O-N 3.34Å; I358-T360 VanDerWaalsContact O-N 3.16Å; T360-S363 WeakPolarHBondContact O-CB 3.24Å; T360-S363 PolarHBondContact O-N 2.87Å; T360-L364 PolarHBondContact O-N 2.78Å |
| 361 | V | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.6 | -35.4 | 174.5 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | L314 L336 V343 F347 I358 S363 L364 A365 F388 | L314-V361 HydrophobicContact CD1-CG2 3.95Å; L336-V361 HydrophobicContact CD1-CG1 3.74Å; V343-V361 HydrophobicContact CG1-CG1 4.32Å; V343-V361 HydrophobicContact CG1-CG2 4.5Å; F347-V361 HydrophobicContact CE2-CG2 3.92Å; F347-V361 HydrophobicContact CZ-CG2 3.97Å; I358-V361 PolarHBondContact O-N 2.79Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 2.87Å; V361-L364 WeakPolarHBondContact O-CB 3.38Å; V361-L364 PolarHBondContact O-N 2.88Å; V361-L364 VanDerWaalsContact O-N 3.16Å; V361-A365 PolarHBondContact O-N 3.08Å; V361-F388 HydrophobicContact CB-CE1 4.45Å; V361-F388 HydrophobicContact CB-CZ 4.16Å; V361-F388 HydrophobicContact CG1-CZ 3.83Å |
| 362 | L | 94.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -39.1 | 171.2 | 175.8 | 60.6 | 0 | 0 | 0 | 111.8 | I358 L359 L364 A365 T366 L385 F388 V396 R400 I401 | I358-L362 PolarHBondContact O-N 3.17Å; L359-L362 HydrophobicContact CD2-CD2 4.13Å; L359-L362 PolarHBondContact O-N 3.1Å; L362-L364 VanDerWaalsContact C-N 3.3Å; L362-L364 PolarHBondContact O-N 2.8Å; L362-A365 PolarHBondContact O-N 3Å; L362-T366 HydrophobicContact CD1-CG2 3.87Å; L362-T366 HydrophobicContact CG-CG2 4.29Å; L362-T366 WeakPolarHBondContact O-CG2 3.28Å; L362-T366 PolarHBondContact O-N 2.99Å; L362-T366 PolarHBondContact O-OG1 3.48Å; L362-L385 HydrophobicContact CD1-CD2 4.1Å; L362-F388 HydrophobicContact CB-CD1 4.31Å; L362-F388 HydrophobicContact CB-CE1 4.45Å; L362-F388 HydrophobicContact CD1-CB 3.99Å; L362-F388 HydrophobicContact CD1-CD2 4.09Å; L362-F388 HydrophobicContact CD1-CG 3.96Å; L362-V396 HydrophobicContact CD2-CG1 3.76Å; L362-R400 HydrophobicContact CD2-CB 4.49Å; L362-I401 HydrophobicContact CD1-CD1 4.07Å; L362-I401 HydrophobicContact CD1-CG1 3.88Å; L362-I401 HydrophobicContact CD2-CD1 4.18Å; L362-I401 HydrophobicContact CD2-CG1 4.11Å |
| 363 | S | 93.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | L359 T360 V361 T366 S367 | L359-S363 PolarHBondContact O-N 2.94Å; L359-S363 PolarHBondContact O-OG 2.89Å; T360-S363 WeakPolarHBondContact O-CB 3.24Å; T360-S363 PolarHBondContact O-N 2.87Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 2.87Å; S363-T366 PolarHBondContact O-OG1 2.8Å; S363-S367 VanDerWaalsContact O-CB 3.31Å; S363-S367 WeakPolarHBondContact O-CB 3.06Å; S363-S367 PolarHBondContact O-N 3.35Å; S363-S367 VanDerWaalsContact O-N 3.12Å |
| 364 | L | 94 | Very high | 91 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -51.3 | 170.1 | 174.9 | 66 | 0 | 0 | 0 | 111.1 | L318 Y321 T360 V361 L362 T366 S367 L368 | L318-L364 HydrophobicContact CD2-CB 4.35Å; L318-L364 HydrophobicContact CD2-CD2 3.81Å; Y321-L364 HydrophobicContact CD1-CD1 4.28Å; Y321-L364 HydrophobicContact CD1-CD2 3.85Å; Y321-L364 HydrophobicContact CD2-CD2 3.86Å; Y321-L364 HydrophobicContact CE1-CD2 3.79Å; Y321-L364 HydrophobicContact CE2-CD2 3.8Å; Y321-L364 HydrophobicContact CG-CD1 4.42Å; Y321-L364 HydrophobicContact CG-CD2 3.88Å; T360-L364 PolarHBondContact O-N 2.78Å; V361-L364 WeakPolarHBondContact O-CB 3.38Å; V361-L364 PolarHBondContact O-N 2.88Å; V361-L364 VanDerWaalsContact O-N 3.16Å; L362-L364 VanDerWaalsContact C-N 3.3Å; L362-L364 PolarHBondContact O-N 2.8Å; L364-T366 PolarHBondContact O-N 2.77Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.02Å; L364-S367 PolarHBondContact O-OG 2.95Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å |
| 365 | A | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L336 V361 L362 S367 L368 L381 I384 L385 F388 | L336-A365 HydrophobicContact CD2-CB 3.87Å; V361-A365 PolarHBondContact O-N 3.08Å; L362-A365 PolarHBondContact O-N 3Å; A365-S367 VanDerWaalsContact C-N 3.27Å; A365-S367 PolarHBondContact O-N 2.97Å; A365-L368 PolarHBondContact O-N 2.88Å; A365-L368 VanDerWaalsContact O-N 3.16Å; A365-L381 HydrophobicContact CB-CD1 4.34Å; A365-L381 WeakPolarHBondContact O-CD1 3.38Å; A365-I384 HydrophobicContact CB-CG2 4.01Å; A365-L385 HydrophobicContact CB-CD2 4.39Å; A365-F388 HydrophobicContact CB-CD2 4.42Å; A365-F388 HydrophobicContact CB-CE2 3.99Å |
| 366 | T | 93.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -31.7 | -179 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | L362 S363 L364 L368 T369 L385 R400 F404 | L362-T366 HydrophobicContact CD1-CG2 3.87Å; L362-T366 HydrophobicContact CG-CG2 4.29Å; L362-T366 WeakPolarHBondContact O-CG2 3.28Å; L362-T366 PolarHBondContact O-N 2.99Å; L362-T366 PolarHBondContact O-OG1 3.48Å; S363-T366 PolarHBondContact O-OG1 2.8Å; L364-T366 PolarHBondContact O-N 2.77Å; T366-L368 PolarHBondContact O-N 2.97Å; T366-T369 WeakPolarHBondContact O-CB 3.27Å; T366-T369 PolarHBondContact O-N 3.22Å; T366-T369 PolarHBondContact O-OG1 2.7Å; T366-L385 HydrophobicContact CG2-CD2 3.96Å; T366-R400 VanDerWaalsContact CG2-O 3.3Å; T366-R400 WeakPolarHBondContact CG2-O 3.34Å; T366-F404 HydrophobicContact CG2-CD2 3.66Å; T366-F404 HydrophobicContact CG2-CE2 3.73Å; T366-F404 HydrophobicContact CG2-CG 4.35Å; T366-F404 HydrophobicContact CG2-CZ 4.47Å; T366-F404 WeakPolarHBondContact O-CE1 3.47Å |
| 367 | S | 91.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 19% | 0.189 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -25.8 | 176.6 | 79.1 | 0 | 0 | 0 | 0 | 114.2 | S363 L364 A365 | S363-S367 VanDerWaalsContact O-CB 3.31Å; S363-S367 WeakPolarHBondContact O-CB 3.06Å; S363-S367 PolarHBondContact O-N 3.35Å; S363-S367 VanDerWaalsContact O-N 3.12Å; L364-S367 WeakPolarHBondContact O-CB 3.34Å; L364-S367 PolarHBondContact O-N 3.02Å; L364-S367 PolarHBondContact O-OG 2.95Å; A365-S367 VanDerWaalsContact C-N 3.27Å; A365-S367 PolarHBondContact O-N 2.97Å |
| 368 | L | 93.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -81.4 | -19.3 | -177.5 | -59 | 170.4 | 0 | 0 | 0 | 112.6 | D329 K332 V333 L364 A365 T366 R370 S371 V372 L381 | D329-L368 HydrophobicContact CB-CD2 3.91Å; K332-L368 HydrophobicContact CB-CD1 4.02Å; K332-L368 HydrophobicContact CB-CD2 4.04Å; K332-L368 HydrophobicContact CD-CD2 3.82Å; V333-L368 HydrophobicContact CG2-CB 4.04Å; V333-L368 HydrophobicContact CG2-CD1 3.69Å; V333-L368 HydrophobicContact CG2-CG 4.43Å; L364-L368 WeakPolarHBondContact O-CG 3.32Å; A365-L368 PolarHBondContact O-N 2.88Å; A365-L368 VanDerWaalsContact O-N 3.16Å; T366-L368 PolarHBondContact O-N 2.97Å; L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.1Å; L368-R370 VanDerWaalsContact O-N 3.1Å; L368-S371 PolarHBondContact O-N 3.19Å; L368-S371 VanDerWaalsContact O-N 3.15Å; L368-S371 PolarHBondContact O-OG 2.94Å; L368-V372 HydrophobicContact CB-CG2 4.11Å; L368-V372 WeakPolarHBondContact O-CG2 3.45Å; L368-V372 PolarHBondContact O-N 2.97Å; L368-L381 HydrophobicContact CB-CD2 4.31Å |
| 369 | T | 90.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -40.4 | -171.3 | -43.2 | 0 | 0 | 0 | 0 | 114.4 | T366 L381 F404 Y407 F408 | T366-T369 WeakPolarHBondContact O-CB 3.27Å; T366-T369 PolarHBondContact O-N 3.22Å; T366-T369 PolarHBondContact O-OG1 2.7Å; T369-L381 VanDerWaalsContact CA-CD2 3.5Å; T369-L381 HydrophobicContact CG2-CD2 4.45Å; T369-F404 HydrophobicContact CG2-CB 3.81Å; T369-F404 HydrophobicContact CG2-CD1 3.93Å; T369-F404 HydrophobicContact CG2-CG 4.33Å; T369-F404 WeakPolarHBondContact OG1-CD1 3.23Å; T369-Y407 HydrophobicContact CG2-CD1 3.87Å; T369-Y407 HydrophobicContact CG2-CE1 4.49Å; T369-F408 HydrophobicContact CG2-CD2 4.06Å; T369-F408 HydrophobicContact CG2-CE1 4.33Å; T369-F408 HydrophobicContact CG2-CE2 3.35Å; T369-F408 HydrophobicContact CG2-CZ 3.5Å; T369-F408 VanDerWaalsContact CG2-CZ 3.5Å |
| 370 | R | 85.4 | Confident | 92.4 | Very high | 184 Ų | 184 | 43.1 Ų | 43.1 | 69% | 0.694 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -16.2 | -173.6 | -68.8 | -177 | 178.4 | 154.9 | 0.6 | 114.1 | L368 Y407 | L368-R370 VanDerWaalsContact C-N 3.28Å; L368-R370 PolarHBondContact O-N 3.1Å; L368-R370 VanDerWaalsContact O-N 3.1Å; R370-Y407 HydrophobicContact CG-CE2 4.49Å |
| 371 | S | 85.7 | Confident | 92.6 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 31% | 0.308 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -18.1 | -171.6 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | D329 L368 R373 | D329-S371 VanDerWaalsContact CG-OG 3.31Å; D329-S371 WeakPolarHBondContact OD2-CB 3.38Å; D329-S371 PolarHBondContact OD2-OG 3.13Å; L368-S371 PolarHBondContact O-N 3.19Å; L368-S371 VanDerWaalsContact O-N 3.15Å; L368-S371 PolarHBondContact O-OG 2.94Å; S371-R373 WeakPolarHBondContact O-CG 3.3Å |
| 372 | V | 91.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | trans | -62.2 | 134.2 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | D330 V333 L368 A377 K378 L381 | D330-V372 VanDerWaalsContact OD1-CA 3.27Å; D330-V372 WeakPolarHBondContact OD1-CA 3.35Å; D330-V372 WeakPolarHBondContact OD1-CG1 3.34Å; V333-V372 HydrophobicContact CG2-CG2 3.62Å; L368-V372 HydrophobicContact CB-CG2 4.11Å; L368-V372 WeakPolarHBondContact O-CG2 3.45Å; L368-V372 PolarHBondContact O-N 2.97Å; V372-A377 HydrophobicContact CG1-CB 3.32Å; V372-K378 HydrophobicContact CG1-CG 3.82Å; V372-L381 HydrophobicContact CG2-CD2 4.45Å | ||
| 373 | R | 88 | Confident | 92.7 | Very high | 214 Ų | 214 | 47.7 Ų | 47.7 | 81% | 0.808 | 22% | 0.223 | S | C | * | . | trans | -107.8 | -47 | -170.3 | -60.7 | -177 | -176.8 | 177.3 | 0.6 | 113.1 | D330 S371 | D330-R373 PolarHBondContact OD1-N 3.36Å; S371-R373 WeakPolarHBondContact O-CG 3.3Å | ||
| 374 | T | 91.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 42% | 0.423 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -76.3 | 146.5 | -173.8 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | D330 D376 A377 K378 | D330-T374 VanDerWaalsContact OD2-CB 3.24Å; D330-T374 WeakPolarHBondContact OD2-CB 3.31Å; D330-T374 WeakPolarHBondContact OD2-CG2 3.37Å; D330-T374 PolarHBondContact OD2-N 3.19Å; D330-T374 PolarHBondContact OD2-OG1 3.48Å; T374-D376 PolarHBondContact O-N 3.29Å; T374-A377 PolarHBondContact O-N 2.71Å; T374-A377 VanDerWaalsContact OG1-CB 3.25Å; T374-A377 WeakPolarHBondContact OG1-CB 3.42Å; T374-A377 PolarHBondContact OG1-N 2.71Å; T374-K378 WeakPolarHBondContact O-CG 3.18Å; T374-K378 PolarHBondContact O-N 2.59Å; T374-K378 VanDerWaalsContact O-N 3.09Å |
| 375 | C | 91.5 | Very high | 92.9 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 35% | 0.345 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -35.6 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | K378 W379 | C375-K378 PolarHBondContact O-N 2.83Å; C375-W379 WeakPolarHBondContact O-CB 3.46Å; C375-W379 PolarHBondContact O-N 3.4Å |
| 376 | D | 93.1 | Very high | 92.9 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68 | -44.3 | -179.7 | -170.2 | 43.2 | 0 | 0 | 0 | 111.7 | T374 W379 R380 | T374-D376 PolarHBondContact O-N 3.29Å; D376-W379 WeakPolarHBondContact O-CB 3.41Å; D376-W379 PolarHBondContact O-N 3.5Å; D376-R380 VanDerWaalsContact CG-NH1 3.33Å; D376-R380 PolarHBondContact O-N 2.88Å; D376-R380 IonicContact OD1-CZ 2.71Å; D376-R380 IonicContact OD1-NH1 2.65Å; D376-R380 IonicContact OD1-NH2 2.81Å; D376-R380 PolarHBondContact OD1-NH2 3.32Å; D376-R380 IonicContact OD2-CZ 3.12Å; D376-R380 IonicContact OD2-NH1 3.36Å; D376-R380 PolarHBondContact OD2-NH1 3.48Å; D376-R380 IonicContact OD2-NH2 2.7Å; D376-R380 PolarHBondContact OD2-NH2 3.3Å |
| 377 | A | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.3 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D330 V333 V372 T374 W379 R380 L381 | D330-A377 HydrophobicContact CB-CB 4.03Å; V333-A377 HydrophobicContact CB-CB 4.49Å; V333-A377 HydrophobicContact CG1-CB 4.48Å; V372-A377 HydrophobicContact CG1-CB 3.32Å; T374-A377 PolarHBondContact O-N 2.71Å; T374-A377 VanDerWaalsContact OG1-CB 3.25Å; T374-A377 WeakPolarHBondContact OG1-CB 3.42Å; T374-A377 PolarHBondContact OG1-N 2.71Å; A377-W379 VanDerWaalsContact C-N 3.33Å; A377-W379 PolarHBondContact O-N 2.96Å; A377-R380 PolarHBondContact O-N 2.86Å; A377-L381 WeakPolarHBondContact O-CB 3.38Å; A377-L381 PolarHBondContact O-N 3.43Å |
| 378 | K | 95.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 173.1 | -65.5 | -179.6 | -170.8 | -175.2 | 0 | 111.9 | V372 T374 C375 L381 L382 F408 D411 I416 | V372-K378 HydrophobicContact CG1-CG 3.82Å; T374-K378 WeakPolarHBondContact O-CG 3.18Å; T374-K378 PolarHBondContact O-N 2.59Å; T374-K378 VanDerWaalsContact O-N 3.09Å; C375-K378 PolarHBondContact O-N 2.83Å; K378-L381 PolarHBondContact O-N 3.05Å; K378-L382 PolarHBondContact O-N 2.82Å; K378-F408 HydrophobicContact CB-CE1 4.07Å; K378-F408 HydrophobicContact CB-CZ 4.42Å; K378-F408 HydrophobicContact CD-CD1 4.39Å; K378-F408 HydrophobicContact CD-CE1 3.98Å; K378-F408 HydrophobicContact CG-CE1 3.79Å; K378-F408 HydrophobicContact CG-CZ 4.36Å; K378-D411 WeakPolarHBondContact CE-OD2 3.29Å; K378-D411 VanDerWaalsContact NZ-CG 3.28Å; K378-D411 IonicContact NZ-OD1 2.72Å; K378-D411 PolarHBondContact NZ-OD1 3.19Å; K378-D411 VanDerWaalsContact NZ-OD1 3.12Å; K378-D411 IonicContact NZ-OD2 3.6Å; K378-D411 PolarHBondContact NZ-OD2 3.29Å; K378-I416 HydrophobicContact CB-CD1 3.82Å; K378-I416 HydrophobicContact CB-CG1 4.25Å; K378-I416 HydrophobicContact CB-CG2 4.5Å; K378-I416 HydrophobicContact CD-CG1 4.28Å; K378-I416 HydrophobicContact CD-CG2 4.47Å |
| 379 | W | 95 | Very high | 92.9 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 176.1 | 178.7 | 92.1 | 0 | 0 | 0 | 111.4 | C375 D376 A377 L381 L382 E383 I416 L419 | C375-W379 WeakPolarHBondContact O-CB 3.46Å; C375-W379 PolarHBondContact O-N 3.4Å; D376-W379 WeakPolarHBondContact O-CB 3.41Å; D376-W379 PolarHBondContact O-N 3.5Å; A377-W379 VanDerWaalsContact C-N 3.33Å; A377-W379 PolarHBondContact O-N 2.96Å; W379-L381 VanDerWaalsContact C-N 3.29Å; W379-L381 PolarHBondContact O-N 2.98Å; W379-L382 PolarHBondContact O-N 3.43Å; W379-E383 VanDerWaalsContact CH2-OE2 3.28Å; W379-E383 WeakPolarHBondContact CH2-OE2 3.18Å; W379-E383 WeakPolarHBondContact CZ3-OE2 3.27Å; W379-E383 PolarHBondContact O-N 3.06Å; W379-E383 VanDerWaalsContact O-N 3.08Å; W379-I416 HydrophobicContact CB-CD1 4.38Å; W379-L419 HydrophobicContact CB-CD2 4.29Å; W379-L419 HydrophobicContact CG-CD2 3.97Å |
| 380 | R | 95.7 | Very high | 92.9 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 176 | -72.3 | -164.9 | -175.5 | 90.2 | 21.1 | 112.1 | V333 D376 A377 L382 E383 I384 | V333-R380 HydrophobicContact CG1-CB 3.79Å; D376-R380 VanDerWaalsContact CG-NH1 3.33Å; D376-R380 PolarHBondContact O-N 2.88Å; D376-R380 IonicContact OD1-CZ 2.71Å; D376-R380 IonicContact OD1-NH1 2.65Å; D376-R380 IonicContact OD1-NH2 2.81Å; D376-R380 PolarHBondContact OD1-NH2 3.32Å; D376-R380 IonicContact OD2-CZ 3.12Å; D376-R380 IonicContact OD2-NH1 3.36Å; D376-R380 PolarHBondContact OD2-NH1 3.48Å; D376-R380 IonicContact OD2-NH2 2.7Å; D376-R380 PolarHBondContact OD2-NH2 3.3Å; A377-R380 PolarHBondContact O-N 2.86Å; R380-L382 PolarHBondContact O-N 2.89Å; R380-E383 WeakPolarHBondContact O-CB 3.26Å; R380-E383 PolarHBondContact O-N 3.41Å; R380-I384 WeakPolarHBondContact O-CB 3.46Å; R380-I384 VanDerWaalsContact O-CG1 3.23Å; R380-I384 WeakPolarHBondContact O-CG1 3.38Å; R380-I384 PolarHBondContact O-N 3.04Å |
| 381 | L | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 179.3 | -173.4 | 59.3 | 0 | 0 | 0 | 112.2 | V333 A365 L368 T369 V372 A377 K378 W379 E383 I384 L385 F408 | V333-L381 HydrophobicContact CG1-CB 4.19Å; V333-L381 HydrophobicContact CG2-CB 4.45Å; V333-L381 HydrophobicContact CG2-CD1 4.38Å; A365-L381 HydrophobicContact CB-CD1 4.34Å; A365-L381 WeakPolarHBondContact O-CD1 3.38Å; L368-L381 HydrophobicContact CB-CD2 4.31Å; T369-L381 VanDerWaalsContact CA-CD2 3.5Å; T369-L381 HydrophobicContact CG2-CD2 4.45Å; V372-L381 HydrophobicContact CG2-CD2 4.45Å; A377-L381 WeakPolarHBondContact O-CB 3.38Å; A377-L381 PolarHBondContact O-N 3.43Å; K378-L381 PolarHBondContact O-N 3.05Å; W379-L381 VanDerWaalsContact C-N 3.29Å; W379-L381 PolarHBondContact O-N 2.98Å; L381-E383 VanDerWaalsContact C-N 3.32Å; L381-E383 PolarHBondContact O-N 2.88Å; L381-I384 WeakPolarHBondContact O-CB 3.42Å; L381-I384 PolarHBondContact O-N 3.01Å; L381-L385 HydrophobicContact CG-CD1 4.47Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.25Å; L381-L385 PolarHBondContact O-N 3.37Å; L381-F408 HydrophobicContact CD2-CE2 4.27Å; L381-F408 HydrophobicContact CD2-CZ 4.11Å |
| 382 | L | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 173.3 | -80.5 | 167.3 | 0 | 0 | 0 | 112.2 | K378 W379 R380 T386 M405 F408 I416 L419 T423 | K378-L382 PolarHBondContact O-N 2.82Å; W379-L382 PolarHBondContact O-N 3.43Å; R380-L382 PolarHBondContact O-N 2.89Å; L382-T386 WeakPolarHBondContact O-CB 3.48Å; L382-T386 PolarHBondContact O-N 3.05Å; L382-T386 PolarHBondContact O-OG1 3.33Å; L382-M405 HydrophobicContact CD2-CB 4.48Å; L382-M405 HydrophobicContact CD2-CG 4.2Å; L382-F408 HydrophobicContact CD1-CB 4.28Å; L382-F408 HydrophobicContact CD1-CD2 4.13Å; L382-F408 HydrophobicContact CD1-CG 4.29Å; L382-F408 HydrophobicContact CD2-CB 4.48Å; L382-F408 HydrophobicContact CD2-CD2 3.64Å; L382-F408 HydrophobicContact CD2-CE2 4.29Å; L382-F408 HydrophobicContact CD2-CG 4.43Å; L382-F408 HydrophobicContact CG-CD2 3.78Å; L382-F408 HydrophobicContact CG-CE2 4.13Å; L382-F408 HydrophobicContact CG-CG 4.44Å; L382-I416 HydrophobicContact CD1-CG2 4.29Å; L382-L419 HydrophobicContact CB-CD2 4.27Å; L382-L419 HydrophobicContact CD1-CD2 3.75Å; L382-L419 HydrophobicContact CD1-CG 4.18Å; L382-T423 HydrophobicContact CB-CG2 4.44Å |
| 383 | E | 95.6 | Very high | 93 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 173.5 | -175.5 | 175 | -161.1 | 0 | 0 | 111.7 | W379 R380 L381 L385 T386 R387 | W379-E383 VanDerWaalsContact CH2-OE2 3.28Å; W379-E383 WeakPolarHBondContact CH2-OE2 3.18Å; W379-E383 WeakPolarHBondContact CZ3-OE2 3.27Å; W379-E383 PolarHBondContact O-N 3.06Å; W379-E383 VanDerWaalsContact O-N 3.08Å; R380-E383 WeakPolarHBondContact O-CB 3.26Å; R380-E383 PolarHBondContact O-N 3.41Å; L381-E383 VanDerWaalsContact C-N 3.32Å; L381-E383 PolarHBondContact O-N 2.88Å; E383-L385 PolarHBondContact O-N 3.35Å; E383-T386 WeakPolarHBondContact O-CB 3.36Å; E383-T386 PolarHBondContact O-N 3.12Å; E383-R387 PolarHBondContact O-N 2.99Å |
| 384 | I | 95.2 | Very high | 93 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.1 | -50.3 | 175.1 | -71.7 | 169.5 | 0 | 0 | 0 | 110.8 | V333 L336 M340 A365 R380 L381 T386 R387 F388 | V333-I384 HydrophobicContact CG1-CD1 4.08Å; L336-I384 HydrophobicContact CB-CD1 4.38Å; L336-I384 HydrophobicContact CD2-CD1 4.26Å; L336-I384 HydrophobicContact CD2-CG2 4.23Å; L336-I384 HydrophobicContact CG-CD1 4.19Å; M340-I384 HydrophobicContact CE-CB 4.06Å; M340-I384 HydrophobicContact CE-CD1 4.23Å; M340-I384 HydrophobicContact CE-CG1 3.6Å; M340-I384 HydrophobicContact CE-CG2 3.69Å; M340-I384 HydrophobicContact SD-CB 4.29Å; M340-I384 HydrophobicContact SD-CG1 3.87Å; M340-I384 HydrophobicContact SD-CG2 4.39Å; A365-I384 HydrophobicContact CB-CG2 4.01Å; R380-I384 WeakPolarHBondContact O-CB 3.46Å; R380-I384 VanDerWaalsContact O-CG1 3.23Å; R380-I384 WeakPolarHBondContact O-CG1 3.38Å; R380-I384 PolarHBondContact O-N 3.04Å; L381-I384 WeakPolarHBondContact O-CB 3.42Å; L381-I384 PolarHBondContact O-N 3.01Å; I384-T386 VanDerWaalsContact C-N 3.32Å; I384-T386 PolarHBondContact O-N 2.87Å; I384-R387 WeakPolarHBondContact O-CB 3.46Å; I384-R387 PolarHBondContact O-N 3.43Å; I384-R387 VanDerWaalsContact O-N 3.15Å; I384-F388 HydrophobicContact CG2-CD2 3.61Å; I384-F388 HydrophobicContact CG2-CE2 3.45Å; I384-F388 VanDerWaalsContact CG2-CE2 3.45Å; I384-F388 VanDerWaalsContact O-CD2 3.27Å; I384-F388 WeakPolarHBondContact O-CD2 3.33Å; I384-F388 PolarHBondContact O-N 2.66Å |
| 385 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 179.4 | -71 | 177.3 | 0 | 0 | 0 | 112.1 | L362 A365 T366 L381 E383 R387 F388 A389 I401 F404 M405 | L362-L385 HydrophobicContact CD1-CD2 4.1Å; A365-L385 HydrophobicContact CB-CD2 4.39Å; T366-L385 HydrophobicContact CG2-CD2 3.96Å; L381-L385 HydrophobicContact CG-CD1 4.47Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.25Å; L381-L385 PolarHBondContact O-N 3.37Å; E383-L385 PolarHBondContact O-N 3.35Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 2.98Å; L385-F388 PolarHBondContact O-N 3.35Å; L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 3.09Å; L385-I401 HydrophobicContact CB-CG2 4.09Å; L385-I401 HydrophobicContact CD2-CG2 4.43Å; L385-F404 HydrophobicContact CD1-CB 4.22Å; L385-M405 HydrophobicContact CB-CE 3.53Å; L385-M405 HydrophobicContact CD1-CG 4.39Å |
| 386 | T | 95.6 | Very high | 92.6 | Very high | 23 Ų | 23 | 43 Ų | 43 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -38.8 | 174.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L382 E383 I384 A389 K426 V427 | L382-T386 WeakPolarHBondContact O-CB 3.48Å; L382-T386 PolarHBondContact O-N 3.05Å; L382-T386 PolarHBondContact O-OG1 3.33Å; E383-T386 WeakPolarHBondContact O-CB 3.36Å; E383-T386 PolarHBondContact O-N 3.12Å; I384-T386 VanDerWaalsContact C-N 3.32Å; I384-T386 PolarHBondContact O-N 2.87Å; T386-A389 PolarHBondContact O-N 3.27Å; T386-K426 HydrophobicContact CG2-CD 4.27Å; T386-V427 HydrophobicContact CG2-CG2 4.04Å |
| 387 | R | 92.6 | Very high | 92.6 | Very high | 113 Ų | 113 | 39.4 Ų | 39.4 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.9 | -45.6 | 177.5 | -163.7 | 73.1 | 153.9 | 174.3 | -5.4 | 111.2 | M340 E341 F344 E383 I384 L385 A389 S390 | M340-R387 HydrophobicContact SD-CB 4.26Å; M340-R387 HydrophobicContact SD-CG 4.19Å; E341-R387 IonicContact OE1-CZ 3.15Å; E341-R387 IonicContact OE1-NH2 2.63Å; E341-R387 PolarHBondContact OE1-NH2 3.49Å; E341-R387 IonicContact OE2-NH2 3.37Å; F344-R387 HydrophobicContact CE1-CG 4.48Å; F344-R387 HydrophobicContact CE2-CG 3.28Å; F344-R387 HydrophobicContact CZ-CB 4.16Å; F344-R387 HydrophobicContact CZ-CG 3.26Å; E383-R387 PolarHBondContact O-N 2.99Å; I384-R387 WeakPolarHBondContact O-CB 3.46Å; I384-R387 PolarHBondContact O-N 3.43Å; I384-R387 VanDerWaalsContact O-N 3.15Å; L385-R387 VanDerWaalsContact C-N 3.28Å; L385-R387 PolarHBondContact O-N 2.98Å; R387-A389 VanDerWaalsContact C-N 3.3Å; R387-A389 PolarHBondContact O-N 3.42Å; R387-S390 PolarHBondContact O-N 3.04Å; R387-S390 PolarHBondContact O-OG 3.31Å |
| 388 | F | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -41.3 | 173.4 | -82.1 | -65.8 | 0 | 0 | 0 | 112.4 | M340 F344 I358 V361 L362 A365 I384 L385 S390 L391 V392 I401 | M340-F388 HydrophobicContact CE-CE2 4.28Å; F344-F388 HydrophobicContact CE1-CE1 4.41Å; I358-F388 HydrophobicContact CD1-CD1 4.13Å; I358-F388 HydrophobicContact CD1-CE1 3.94Å; I358-F388 HydrophobicContact CG1-CD1 4.11Å; I358-F388 HydrophobicContact CG1-CE1 3.65Å; V361-F388 HydrophobicContact CB-CE1 4.45Å; V361-F388 HydrophobicContact CB-CZ 4.16Å; V361-F388 HydrophobicContact CG1-CZ 3.83Å; L362-F388 HydrophobicContact CB-CD1 4.31Å; L362-F388 HydrophobicContact CB-CE1 4.45Å; L362-F388 HydrophobicContact CD1-CB 3.99Å; L362-F388 HydrophobicContact CD1-CD2 4.09Å; L362-F388 HydrophobicContact CD1-CG 3.96Å; A365-F388 HydrophobicContact CB-CD2 4.42Å; A365-F388 HydrophobicContact CB-CE2 3.99Å; I384-F388 HydrophobicContact CG2-CD2 3.61Å; I384-F388 HydrophobicContact CG2-CE2 3.45Å; I384-F388 VanDerWaalsContact CG2-CE2 3.45Å; I384-F388 VanDerWaalsContact O-CD2 3.27Å; I384-F388 WeakPolarHBondContact O-CD2 3.33Å; I384-F388 PolarHBondContact O-N 2.66Å; L385-F388 PolarHBondContact O-N 3.35Å; F388-S390 PolarHBondContact O-N 3.31Å; F388-S390 VanDerWaalsContact O-N 3.1Å; F388-L391 PolarHBondContact O-N 3.22Å; F388-V392 WeakPolarHBondContact O-CG2 3.29Å; F388-V392 PolarHBondContact O-N 3.36Å; F388-I401 HydrophobicContact CB-CD1 4.05Å |
| 389 | A | 93.5 | Very high | 92.1 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -20.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | L385 T386 R387 L391 V397 I401 V427 | L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 3.09Å; T386-A389 PolarHBondContact O-N 3.27Å; R387-A389 VanDerWaalsContact C-N 3.3Å; R387-A389 PolarHBondContact O-N 3.42Å; A389-L391 VanDerWaalsContact C-N 3.34Å; A389-V397 HydrophobicContact CB-CG1 4.19Å; A389-V397 HydrophobicContact CB-CG2 4.05Å; A389-I401 HydrophobicContact CB-CD1 3.93Å; A389-I401 HydrophobicContact CB-CG2 4.48Å; A389-V427 HydrophobicContact CB-CB 4.42Å; A389-V427 HydrophobicContact CB-CG1 3.63Å; A389-V427 HydrophobicContact CB-CG2 3.89Å |
| 390 | S | 90.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 38.9 Ų | 38.9 | 57% | 0.566 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -9.4 | 174.5 | 70.5 | 0 | 0 | 0 | 0 | 114.4 | R387 F388 | R387-S390 PolarHBondContact O-N 3.04Å; R387-S390 PolarHBondContact O-OG 3.31Å; F388-S390 PolarHBondContact O-N 3.31Å; F388-S390 VanDerWaalsContact O-N 3.1Å |
| 391 | L | 87.8 | Confident | 91.9 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -15.5 | -171.6 | -61.1 | 174.5 | 0 | 0 | 0 | 113.5 | F344 V354 I358 F388 A389 | F344-L391 HydrophobicContact CD1-CD1 3.45Å; F344-L391 VanDerWaalsContact CD1-CD1 3.45Å; F344-L391 HydrophobicContact CE1-CD1 3.2Å; F344-L391 HydrophobicContact CE2-CD1 4.49Å; F344-L391 HydrophobicContact CG-CD1 4.24Å; F344-L391 HydrophobicContact CZ-CD1 3.79Å; V354-L391 HydrophobicContact CG2-CB 4.28Å; V354-L391 HydrophobicContact CG2-CD2 4.03Å; I358-L391 HydrophobicContact CD1-CB 4.43Å; I358-L391 HydrophobicContact CD1-CD1 3.91Å; F388-L391 PolarHBondContact O-N 3.22Å; A389-L391 VanDerWaalsContact C-N 3.34Å |
| 392 | V | 89 | Confident | 91.8 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -112.9 | 160.4 | -177.2 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | I358 L359 F388 V396 V397 I401 | I358-V392 HydrophobicContact CG2-CG1 4.32Å; L359-V392 HydrophobicContact CD2-CG1 4.08Å; F388-V392 WeakPolarHBondContact O-CG2 3.29Å; F388-V392 PolarHBondContact O-N 3.36Å; V392-V396 HydrophobicContact CB-CB 4.03Å; V392-V396 HydrophobicContact CB-CG1 3.9Å; V392-V396 HydrophobicContact CG1-CG1 4.37Å; V392-V396 HydrophobicContact CG2-CB 3.88Å; V392-V396 HydrophobicContact CG2-CG1 3.7Å; V392-V397 HydrophobicContact CG2-CG2 3.7Å; V392-I401 HydrophobicContact CG2-CD1 3.94Å |
| 393 | D | 87.3 | Confident | 91.7 | Very high | 122 Ų | 122 | 39.4 Ų | 39.4 | 65% | 0.652 | 21% | 0.213 | S | C | * | . | trans | -68.1 | 159 | -180 | -63.8 | -42.3 | 0 | 0 | 0 | 112.4 | D395 V396 V397 | D393-D395 VanDerWaalsContact C-N 3.33Å; D393-D395 WeakPolarHBondContact CB-OD1 3.26Å; D393-D395 PolarHBondContact O-N 3.35Å; D393-V396 WeakPolarHBondContact O-CB 3.16Å; D393-V396 PolarHBondContact O-N 2.93Å; D393-V396 VanDerWaalsContact O-N 3.09Å; D393-V397 WeakPolarHBondContact O-CG2 3.43Å; D393-V397 PolarHBondContact O-N 2.67Å | ||
| 394 | A | 87.8 | Confident | 91.6 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V396 V397 L398 V431 T433 | A394-V396 VanDerWaalsContact C-N 3.32Å; A394-V396 PolarHBondContact O-N 3.28Å; A394-V397 WeakPolarHBondContact O-CB 3.28Å; A394-V397 PolarHBondContact O-N 3.02Å; A394-L398 VanDerWaalsContact O-CG 3.26Å; A394-L398 WeakPolarHBondContact O-CG 3.36Å; A394-L398 PolarHBondContact O-N 3.41Å; A394-V431 HydrophobicContact CB-CG1 3.71Å; A394-T433 WeakPolarHBondContact CB-O 2.93Å |
| 395 | D | 86.4 | Confident | 91.6 | Very high | 78 Ų | 78 | 36.9 Ų | 36.9 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 174.2 | 61.2 | -35.7 | 0 | 0 | 0 | 111.3 | D393 V397 L398 D399 P435 | D393-D395 VanDerWaalsContact C-N 3.33Å; D393-D395 WeakPolarHBondContact CB-OD1 3.26Å; D393-D395 PolarHBondContact O-N 3.35Å; D395-V397 PolarHBondContact O-N 2.88Å; D395-L398 PolarHBondContact O-N 3.35Å; D395-D399 WeakPolarHBondContact O-CB 3.03Å; D395-D399 PolarHBondContact O-N 3.39Å; D395-P435 HydrophobicContact CB-CG 4.45Å |
| 396 | V | 89.6 | Confident | 91.6 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L359 L362 V392 D393 A394 R400 | L359-V396 HydrophobicContact CD2-CG1 3.58Å; L359-V396 HydrophobicContact CD2-CG2 4.24Å; L362-V396 HydrophobicContact CD2-CG1 3.76Å; V392-V396 HydrophobicContact CB-CB 4.03Å; V392-V396 HydrophobicContact CB-CG1 3.9Å; V392-V396 HydrophobicContact CG1-CG1 4.37Å; V392-V396 HydrophobicContact CG2-CB 3.88Å; V392-V396 HydrophobicContact CG2-CG1 3.7Å; D393-V396 WeakPolarHBondContact O-CB 3.16Å; D393-V396 PolarHBondContact O-N 2.93Å; D393-V396 VanDerWaalsContact O-N 3.09Å; A394-V396 VanDerWaalsContact C-N 3.32Å; A394-V396 PolarHBondContact O-N 3.28Å; V396-R400 HydrophobicContact CG1-CB 4.36Å; V396-R400 WeakPolarHBondContact O-CA 3.27Å; V396-R400 VanDerWaalsContact O-CB 3.26Å; V396-R400 WeakPolarHBondContact O-CB 3.19Å; V396-R400 PolarHBondContact O-N 3.49Å |
| 397 | V | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -60.1 | -48.5 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | A389 V392 D393 A394 D395 I401 L402 V427 V431 | A389-V397 HydrophobicContact CB-CG1 4.19Å; A389-V397 HydrophobicContact CB-CG2 4.05Å; V392-V397 HydrophobicContact CG2-CG2 3.7Å; D393-V397 WeakPolarHBondContact O-CG2 3.43Å; D393-V397 PolarHBondContact O-N 2.67Å; A394-V397 WeakPolarHBondContact O-CB 3.28Å; A394-V397 PolarHBondContact O-N 3.02Å; D395-V397 PolarHBondContact O-N 2.88Å; V397-I401 HydrophobicContact CG2-CD1 4.43Å; V397-I401 WeakPolarHBondContact O-CB 3.42Å; V397-I401 PolarHBondContact O-N 3Å; V397-I401 VanDerWaalsContact O-N 3.09Å; V397-L402 PolarHBondContact O-N 2.94Å; V397-V427 HydrophobicContact CG1-CG1 3.51Å; V397-V431 HydrophobicContact CG1-CG2 4.22Å |
| 398 | L | 91.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -69 | -44.2 | -176 | -63.9 | 175.2 | 0 | 0 | 0 | 112.2 | A394 D395 L402 P403 M428 V434 D438 V441 | A394-L398 VanDerWaalsContact O-CG 3.26Å; A394-L398 WeakPolarHBondContact O-CG 3.36Å; A394-L398 PolarHBondContact O-N 3.41Å; D395-L398 PolarHBondContact O-N 3.35Å; L398-L402 HydrophobicContact CD2-CD2 4.11Å; L398-P403 WeakPolarHBondContact O-CD 3.29Å; L398-M428 HydrophobicContact CD2-CE 3.65Å; L398-M428 HydrophobicContact CD2-SD 3.98Å; L398-V434 HydrophobicContact CD1-CG1 4.1Å; L398-D438 HydrophobicContact CD1-CB 3.83Å; L398-V441 HydrophobicContact CD2-CG1 4.26Å; L398-V441 HydrophobicContact CD2-CG2 4.39Å |
| 399 | D | 88.4 | Confident | 91.8 | Very high | 86 Ų | 86 | 36.8 Ų | 36.8 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -82.1 | -31.2 | -176 | -84.5 | -7.7 | 0 | 0 | 0 | 113.8 | P116 D395 | P116-D399 HydrophobicContact CB-CB 4.31Å; D395-D399 WeakPolarHBondContact O-CB 3.03Å; D395-D399 PolarHBondContact O-N 3.39Å |
| 400 | R | 90.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -120 | -18.4 | -166.9 | -58.8 | -172.2 | 177 | -158.1 | -1.6 | 115.3 | P116 F117 E122 L362 T366 V396 F404 | P116-R400 HydrophobicContact CB-CG 4.44Å; P116-R400 HydrophobicContact CG-CG 3.83Å; F117-R400 PolarHBondContact O-NH2 2.94Å; E122-R400 IonicContact OE1-CZ 3.5Å; E122-R400 IonicContact OE1-NH1 3.32Å; E122-R400 PolarHBondContact OE1-NH1 3.35Å; E122-R400 IonicContact OE1-NH2 3.42Å; E122-R400 IonicContact OE2-CZ 3.76Å; E122-R400 IonicContact OE2-NH1 2.63Å; E122-R400 PolarHBondContact OE2-NH1 3.2Å; E122-R400 IonicContact OE2-NH2 3.09Å; E122-R400 PolarHBondContact OE2-NH2 3.11Å; L362-R400 HydrophobicContact CD2-CB 4.49Å; T366-R400 VanDerWaalsContact CG2-O 3.3Å; T366-R400 WeakPolarHBondContact CG2-O 3.34Å; V396-R400 HydrophobicContact CG1-CB 4.36Å; V396-R400 WeakPolarHBondContact O-CA 3.27Å; V396-R400 VanDerWaalsContact O-CB 3.26Å; V396-R400 WeakPolarHBondContact O-CB 3.19Å; V396-R400 PolarHBondContact O-N 3.49Å; R400-F404 WeakPolarHBondContact O-CD2 3.48Å; R400-F404 VanDerWaalsContact O-CE2 3.25Å; R400-F404 WeakPolarHBondContact O-CE2 3.2Å |
| 401 | I | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -109.2 | -51.5 | -179.2 | -62.7 | 178.6 | 0 | 0 | 0 | 110.7 | L362 L385 F388 A389 V392 V397 P403 F404 M405 | L362-I401 HydrophobicContact CD1-CD1 4.07Å; L362-I401 HydrophobicContact CD1-CG1 3.88Å; L362-I401 HydrophobicContact CD2-CD1 4.18Å; L362-I401 HydrophobicContact CD2-CG1 4.11Å; L385-I401 HydrophobicContact CB-CG2 4.09Å; L385-I401 HydrophobicContact CD2-CG2 4.43Å; F388-I401 HydrophobicContact CB-CD1 4.05Å; A389-I401 HydrophobicContact CB-CD1 3.93Å; A389-I401 HydrophobicContact CB-CG2 4.48Å; V392-I401 HydrophobicContact CG2-CD1 3.94Å; V397-I401 HydrophobicContact CG2-CD1 4.43Å; V397-I401 WeakPolarHBondContact O-CB 3.42Å; V397-I401 PolarHBondContact O-N 3Å; V397-I401 VanDerWaalsContact O-N 3.09Å; I401-P403 VanDerWaalsContact C-CD 3.46Å; I401-F404 PolarHBondContact O-N 2.72Å; I401-F404 VanDerWaalsContact O-N 3.09Å; I401-M405 HydrophobicContact CG2-CE 3.69Å; I401-M405 HydrophobicContact CG2-CG 4.2Å; I401-M405 HydrophobicContact CG2-SD 4.08Å; I401-M405 PolarHBondContact O-N 3.36Å; I401-M405 VanDerWaalsContact O-N 3.17Å |
| 402 | L | 95.2 | Very high | 92 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.5 | -43.2 | -176 | 177.4 | 64.9 | 0 | 0 | 0 | 113.7 | V397 L398 F404 M405 L406 I424 M428 V441 I446 | V397-L402 PolarHBondContact O-N 2.94Å; L398-L402 HydrophobicContact CD2-CD2 4.11Å; L402-F404 PolarHBondContact O-N 3.02Å; L402-M405 PolarHBondContact O-N 3.45Å; L402-M405 VanDerWaalsContact O-N 3.13Å; L402-L406 HydrophobicContact CD1-CD1 4.05Å; L402-L406 HydrophobicContact CD1-CG 3.95Å; L402-L406 HydrophobicContact CD2-CD1 4.42Å; L402-L406 HydrophobicContact CG-CD1 3.83Å; L402-L406 HydrophobicContact CG-CG 4.21Å; L402-L406 WeakPolarHBondContact O-CB 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.38Å; L402-L406 PolarHBondContact O-N 3.41Å; L402-I424 HydrophobicContact CD1-CG1 4.43Å; L402-I424 HydrophobicContact CD1-CG2 4.07Å; L402-M428 HydrophobicContact CD1-SD 4.11Å; L402-M428 HydrophobicContact CD2-SD 4.13Å; L402-V441 HydrophobicContact CD2-CG2 3.59Å; L402-I446 HydrophobicContact CD1-CD1 4.33Å; L402-I446 HydrophobicContact CD1-CG1 4.29Å; L402-I446 HydrophobicContact CD2-CD1 3.95Å; L402-I446 HydrophobicContact CD2-CG1 3.99Å |
| 403 | P | 93.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 40% | 0.403 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -33.4 | -179.9 | -25.7 | 36.4 | 0 | 0 | 0 | 113.4 | L398 I401 Y407 | L398-P403 WeakPolarHBondContact O-CD 3.29Å; I401-P403 VanDerWaalsContact C-CD 3.46Å; P403-Y407 PolarHBondContact O-N 3.05Å |
| 404 | F | 93.4 | Very high | 92.5 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.6 | -31.5 | 178.6 | -61.9 | -78 | 0 | 0 | 0 | 112.2 | T366 T369 L385 R400 I401 L402 Y407 F408 | T366-F404 HydrophobicContact CG2-CD2 3.66Å; T366-F404 HydrophobicContact CG2-CE2 3.73Å; T366-F404 HydrophobicContact CG2-CG 4.35Å; T366-F404 HydrophobicContact CG2-CZ 4.47Å; T366-F404 WeakPolarHBondContact O-CE1 3.47Å; T369-F404 HydrophobicContact CG2-CB 3.81Å; T369-F404 HydrophobicContact CG2-CD1 3.93Å; T369-F404 HydrophobicContact CG2-CG 4.33Å; T369-F404 WeakPolarHBondContact OG1-CD1 3.23Å; L385-F404 HydrophobicContact CD1-CB 4.22Å; R400-F404 WeakPolarHBondContact O-CD2 3.48Å; R400-F404 VanDerWaalsContact O-CE2 3.25Å; R400-F404 WeakPolarHBondContact O-CE2 3.2Å; I401-F404 PolarHBondContact O-N 2.72Å; I401-F404 VanDerWaalsContact O-N 3.09Å; L402-F404 PolarHBondContact O-N 3.02Å; F404-Y407 WeakPolarHBondContact O-CB 3.19Å; F404-F408 WeakPolarHBondContact O-CD2 3.49Å |
| 405 | M | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 169.9 | -65.1 | -169.6 | 165.6 | 0 | 0 | 111.4 | L382 L385 I401 L402 Y407 F408 I424 V427 | L382-M405 HydrophobicContact CD2-CB 4.48Å; L382-M405 HydrophobicContact CD2-CG 4.2Å; L385-M405 HydrophobicContact CB-CE 3.53Å; L385-M405 HydrophobicContact CD1-CG 4.39Å; I401-M405 HydrophobicContact CG2-CE 3.69Å; I401-M405 HydrophobicContact CG2-CG 4.2Å; I401-M405 HydrophobicContact CG2-SD 4.08Å; I401-M405 PolarHBondContact O-N 3.36Å; I401-M405 VanDerWaalsContact O-N 3.17Å; L402-M405 PolarHBondContact O-N 3.45Å; L402-M405 VanDerWaalsContact O-N 3.13Å; M405-Y407 VanDerWaalsContact C-N 3.31Å; M405-Y407 PolarHBondContact O-N 3.39Å; M405-F408 PolarHBondContact O-N 2.91Å; M405-I424 HydrophobicContact CB-CD1 4.21Å; M405-I424 HydrophobicContact CB-CG1 3.69Å; M405-I424 HydrophobicContact SD-CG1 4.42Å; M405-V427 HydrophobicContact CE-CG2 3.8Å; M405-V427 HydrophobicContact SD-CB 4.43Å; M405-V427 HydrophobicContact SD-CG2 4.09Å |
| 406 | L | 95.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 175.9 | -73.5 | 171.8 | 0 | 0 | 0 | 112.1 | L402 F408 V409 I424 T449 V450 | L402-L406 HydrophobicContact CD1-CD1 4.05Å; L402-L406 HydrophobicContact CD1-CG 3.95Å; L402-L406 HydrophobicContact CD2-CD1 4.42Å; L402-L406 HydrophobicContact CG-CD1 3.83Å; L402-L406 HydrophobicContact CG-CG 4.21Å; L402-L406 WeakPolarHBondContact O-CB 3.47Å; L402-L406 WeakPolarHBondContact O-CG 3.38Å; L402-L406 PolarHBondContact O-N 3.41Å; L406-F408 PolarHBondContact O-N 3.33Å; L406-V409 VanDerWaalsContact O-CB 3.31Å; L406-V409 WeakPolarHBondContact O-CB 3.35Å; L406-V409 PolarHBondContact O-N 2.81Å; L406-I424 HydrophobicContact CD2-CD1 3.78Å; L406-I424 HydrophobicContact CG-CD1 4.3Å; L406-T449 HydrophobicContact CB-CG2 4.27Å; L406-T449 HydrophobicContact CD2-CG2 4Å; L406-V450 HydrophobicContact CD2-CG2 4.38Å |
| 407 | Y | 94.4 | Very high | 93.5 | Very high | 114 Ų | 114 | 42 Ų | 42 | 45% | 0.447 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54 | -41.3 | 172.9 | 174.7 | -99.7 | 0 | 0 | 0 | 112.2 | T369 R370 P403 F404 M405 V409 G410 | T369-Y407 HydrophobicContact CG2-CD1 3.87Å; T369-Y407 HydrophobicContact CG2-CE1 4.49Å; R370-Y407 HydrophobicContact CG-CE2 4.49Å; P403-Y407 PolarHBondContact O-N 3.05Å; F404-Y407 WeakPolarHBondContact O-CB 3.19Å; M405-Y407 VanDerWaalsContact C-N 3.31Å; M405-Y407 PolarHBondContact O-N 3.39Å; Y407-V409 VanDerWaalsContact C-N 3.31Å; Y407-V409 PolarHBondContact O-N 3.06Å; Y407-G410 PolarHBondContact O-N 2.99Å |
| 408 | F | 95.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.8 | -14.4 | 179.1 | -70.8 | -59.3 | 0 | 0 | 0 | 114.7 | T369 K378 L381 L382 F404 M405 L406 G410 D411 I416 S420 | T369-F408 HydrophobicContact CG2-CD2 4.06Å; T369-F408 HydrophobicContact CG2-CE1 4.33Å; T369-F408 HydrophobicContact CG2-CE2 3.35Å; T369-F408 HydrophobicContact CG2-CZ 3.5Å; T369-F408 VanDerWaalsContact CG2-CZ 3.5Å; K378-F408 HydrophobicContact CB-CE1 4.07Å; K378-F408 HydrophobicContact CB-CZ 4.42Å; K378-F408 HydrophobicContact CD-CD1 4.39Å; K378-F408 HydrophobicContact CD-CE1 3.98Å; K378-F408 HydrophobicContact CG-CE1 3.79Å; K378-F408 HydrophobicContact CG-CZ 4.36Å; L381-F408 HydrophobicContact CD2-CE2 4.27Å; L381-F408 HydrophobicContact CD2-CZ 4.11Å; L382-F408 HydrophobicContact CD1-CB 4.28Å; L382-F408 HydrophobicContact CD1-CD2 4.13Å; L382-F408 HydrophobicContact CD1-CG 4.29Å; L382-F408 HydrophobicContact CD2-CB 4.48Å; L382-F408 HydrophobicContact CD2-CD2 3.64Å; L382-F408 HydrophobicContact CD2-CE2 4.29Å; L382-F408 HydrophobicContact CD2-CG 4.43Å; L382-F408 HydrophobicContact CG-CD2 3.78Å; L382-F408 HydrophobicContact CG-CE2 4.13Å; L382-F408 HydrophobicContact CG-CG 4.44Å; F404-F408 WeakPolarHBondContact O-CD2 3.49Å; M405-F408 PolarHBondContact O-N 2.91Å; L406-F408 PolarHBondContact O-N 3.33Å; F408-G410 PolarHBondContact O-N 2.97Å; F408-D411 VanDerWaalsContact O-CB 3.25Å; F408-D411 WeakPolarHBondContact O-CB 3.23Å; F408-D411 PolarHBondContact O-N 2.87Å; F408-D411 VanDerWaalsContact O-N 3.14Å; F408-I416 HydrophobicContact CB-CG2 3.99Å; F408-I416 HydrophobicContact CD1-CG2 3.98Å; F408-I416 HydrophobicContact CG-CG2 4.25Å; F408-S420 WeakPolarHBondContact CB-OG 3.39Å; F408-S420 PolarHBondContact O-OG 2.91Å |
| 409 | V | 94.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -26.7 | 170.1 | -180 | 0 | 0 | 0 | 0 | 110.9 | L406 Y407 R417 I421 I424 T449 V450 R453 | L406-V409 VanDerWaalsContact O-CB 3.31Å; L406-V409 WeakPolarHBondContact O-CB 3.35Å; L406-V409 PolarHBondContact O-N 2.81Å; Y407-V409 VanDerWaalsContact C-N 3.31Å; Y407-V409 PolarHBondContact O-N 3.06Å; V409-R417 WeakPolarHBondContact O-CD 3.15Å; V409-R417 VanDerWaalsContact O-CG 3.27Å; V409-R417 WeakPolarHBondContact O-CG 3.46Å; V409-I421 HydrophobicContact CG1-CG1 4.45Å; V409-I424 HydrophobicContact CG2-CD1 3.43Å; V409-I424 VanDerWaalsContact CG2-CD1 3.43Å; V409-T449 HydrophobicContact CB-CG2 4.16Å; V409-T449 HydrophobicContact CG1-CG2 4.26Å; V409-V450 HydrophobicContact CG1-CG2 4.34Å; V409-V450 HydrophobicContact CG2-CG2 4.4Å; V409-R453 HydrophobicContact CG1-CG 3.84Å |
| 410 | G | 91.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 54% | 0.536 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y407 F408 | Y407-G410 PolarHBondContact O-N 2.99Å; F408-G410 PolarHBondContact O-N 2.97Å |
| 411 | D | 94.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | trans | -67 | 151.3 | -175.6 | -161.1 | -96.9 | 0 | 0 | 0 | 113 | K378 F408 V413 I416 R417 | K378-D411 WeakPolarHBondContact CE-OD2 3.29Å; K378-D411 VanDerWaalsContact NZ-CG 3.28Å; K378-D411 IonicContact NZ-OD1 2.72Å; K378-D411 PolarHBondContact NZ-OD1 3.19Å; K378-D411 VanDerWaalsContact NZ-OD1 3.12Å; K378-D411 IonicContact NZ-OD2 3.6Å; K378-D411 PolarHBondContact NZ-OD2 3.29Å; F408-D411 VanDerWaalsContact O-CB 3.25Å; F408-D411 WeakPolarHBondContact O-CB 3.23Å; F408-D411 PolarHBondContact O-N 2.87Å; F408-D411 VanDerWaalsContact O-N 3.14Å; D411-V413 VanDerWaalsContact C-N 3.26Å; D411-V413 PolarHBondContact O-N 3.33Å; D411-V413 PolarHBondContact OD1-N 3.39Å; D411-I416 HydrophobicContact CB-CB 4.17Å; D411-I416 HydrophobicContact CB-CG2 3.79Å; D411-R417 HydrophobicContact CB-CG 4.3Å; D411-R417 WeakPolarHBondContact O-CD 3.42Å; D411-R417 WeakPolarHBondContact O-CG 3.49Å; D411-R417 PolarHBondContact O-NH1 3.15Å | ||
| 412 | D | 90.4 | Very high | 94.7 | Very high | 151 Ų | 151 | 42.4 Ų | 42.4 | 81% | 0.807 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -64.8 | -30.3 | 178.7 | -60.5 | -40 | 0 | 0 | 0 | 112.5 | R417 | D412-R417 VanDerWaalsContact C-NH1 3.3Å; D412-R417 PolarHBondContact O-NH1 2.96Å |
| 413 | V | 93.5 | Very high | 94.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -86.7 | 116.5 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | D411 R415 I416 R417 | D411-V413 VanDerWaalsContact C-N 3.26Å; D411-V413 PolarHBondContact O-N 3.33Å; D411-V413 PolarHBondContact OD1-N 3.39Å; V413-R415 HydrophobicContact CG1-CB 4.23Å; V413-R415 PolarHBondContact O-N 3.43Å; V413-R415 VanDerWaalsContact O-N 3.14Å; V413-I416 HydrophobicContact CB-CB 4.32Å; V413-I416 HydrophobicContact CB-CG1 4.05Å; V413-I416 HydrophobicContact CG1-CG1 4.19Å; V413-I416 PolarHBondContact O-N 2.95Å; V413-R417 PolarHBondContact O-N 2.71Å; V413-R417 VanDerWaalsContact O-N 3.13Å |
| 414 | A | 93.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.6 | -34.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I416 R417 A418 S458 V461 | A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 3.15Å; A414-R417 PolarHBondContact O-N 3.15Å; A414-A418 WeakPolarHBondContact O-CB 3.35Å; A414-A418 PolarHBondContact O-N 2.87Å; A414-S458 WeakPolarHBondContact CB-OG 3.47Å; A414-V461 HydrophobicContact CB-CG2 4.07Å; A414-V461 WeakPolarHBondContact O-CG2 3.33Å |
| 415 | R | 93.9 | Very high | 95 | Very high | 179 Ų | 179 | 38.1 Ų | 38.1 | 68% | 0.675 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -64.9 | -36.8 | 176.6 | -172.5 | 176.9 | -177.7 | -180 | -0.8 | 112.3 | V413 L419 | V413-R415 HydrophobicContact CG1-CB 4.23Å; V413-R415 PolarHBondContact O-N 3.43Å; V413-R415 VanDerWaalsContact O-N 3.14Å; R415-L419 WeakPolarHBondContact O-CB 3.23Å; R415-L419 PolarHBondContact O-N 3.41Å |
| 416 | I | 95.6 | Very high | 95 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70 | -47.6 | 176.3 | -63.2 | -58.4 | 0 | 0 | 0 | 109.5 | K378 W379 L382 F408 D411 V413 A414 A418 L419 S420 | K378-I416 HydrophobicContact CB-CD1 3.82Å; K378-I416 HydrophobicContact CB-CG1 4.25Å; K378-I416 HydrophobicContact CB-CG2 4.5Å; K378-I416 HydrophobicContact CD-CG1 4.28Å; K378-I416 HydrophobicContact CD-CG2 4.47Å; W379-I416 HydrophobicContact CB-CD1 4.38Å; L382-I416 HydrophobicContact CD1-CG2 4.29Å; F408-I416 HydrophobicContact CB-CG2 3.99Å; F408-I416 HydrophobicContact CD1-CG2 3.98Å; F408-I416 HydrophobicContact CG-CG2 4.25Å; D411-I416 HydrophobicContact CB-CB 4.17Å; D411-I416 HydrophobicContact CB-CG2 3.79Å; V413-I416 HydrophobicContact CB-CB 4.32Å; V413-I416 HydrophobicContact CB-CG1 4.05Å; V413-I416 HydrophobicContact CG1-CG1 4.19Å; V413-I416 PolarHBondContact O-N 2.95Å; A414-I416 VanDerWaalsContact C-N 3.33Å; A414-I416 PolarHBondContact O-N 3.15Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 2.69Å; I416-L419 WeakPolarHBondContact O-CB 3.33Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-L419 VanDerWaalsContact O-N 3.11Å; I416-S420 PolarHBondContact O-N 2.95Å; I416-S420 PolarHBondContact O-OG 3.29Å |
| 417 | R | 96.2 | Very high | 95 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.1 | -48.2 | 175.3 | -61.8 | -161.4 | -66.9 | -79.9 | 4.9 | 112.7 | V409 D411 D412 V413 A414 S420 I421 D456 V461 | V409-R417 WeakPolarHBondContact O-CD 3.15Å; V409-R417 VanDerWaalsContact O-CG 3.27Å; V409-R417 WeakPolarHBondContact O-CG 3.46Å; D411-R417 HydrophobicContact CB-CG 4.3Å; D411-R417 WeakPolarHBondContact O-CD 3.42Å; D411-R417 WeakPolarHBondContact O-CG 3.49Å; D411-R417 PolarHBondContact O-NH1 3.15Å; D412-R417 VanDerWaalsContact C-NH1 3.3Å; D412-R417 PolarHBondContact O-NH1 2.96Å; V413-R417 PolarHBondContact O-N 2.71Å; V413-R417 VanDerWaalsContact O-N 3.13Å; A414-R417 PolarHBondContact O-N 3.15Å; R417-S420 WeakPolarHBondContact O-CB 3.37Å; R417-S420 PolarHBondContact O-N 3.26Å; R417-I421 WeakPolarHBondContact O-CG1 3.42Å; R417-I421 PolarHBondContact O-N 3.05Å; R417-I421 VanDerWaalsContact O-N 3.15Å; R417-D456 IonicContact CZ-OD1 3.65Å; R417-D456 IonicContact CZ-OD2 2.69Å; R417-D456 IonicContact NE-OD1 2.92Å; R417-D456 IonicContact NE-OD2 2.8Å; R417-D456 PolarHBondContact NE-OD2 2.79Å; R417-D456 IonicContact NH2-OD1 3.18Å; R417-D456 PolarHBondContact NH2-OD1 2.88Å; R417-D456 IonicContact NH2-OD2 3.76Å; R417-D456 PolarHBondContact NH2-OD2 2.86Å; R417-D456 VanDerWaalsContact NH2-OD2 3.17Å; R417-V461 HydrophobicContact CB-CG1 4.46Å; R417-V461 HydrophobicContact CB-CG2 4.01Å |
| 418 | A | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A414 I416 S420 I421 H422 V460 V461 A464 | A414-A418 WeakPolarHBondContact O-CB 3.35Å; A414-A418 PolarHBondContact O-N 2.87Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 2.69Å; A418-S420 VanDerWaalsContact C-N 3.34Å; A418-S420 PolarHBondContact O-N 3.46Å; A418-I421 PolarHBondContact O-N 3.14Å; A418-H422 PolarHBondContact O-CD2 3.35Å; A418-H422 PolarHBondContact O-N 3.2Å; A418-V460 HydrophobicContact CB-CG1 4.01Å; A418-V461 HydrophobicContact CB-CG2 4.37Å; A418-A464 HydrophobicContact CB-CB 3.81Å |
| 419 | L | 96.2 | Very high | 94.9 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 175.9 | -178 | 71.3 | 0 | 0 | 0 | 111.8 | W379 L382 R415 I416 I421 H422 T423 | W379-L419 HydrophobicContact CB-CD2 4.29Å; W379-L419 HydrophobicContact CG-CD2 3.97Å; L382-L419 HydrophobicContact CB-CD2 4.27Å; L382-L419 HydrophobicContact CD1-CD2 3.75Å; L382-L419 HydrophobicContact CD1-CG 4.18Å; R415-L419 WeakPolarHBondContact O-CB 3.23Å; R415-L419 PolarHBondContact O-N 3.41Å; I416-L419 WeakPolarHBondContact O-CB 3.33Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-L419 VanDerWaalsContact O-N 3.11Å; L419-I421 VanDerWaalsContact C-N 3.32Å; L419-I421 PolarHBondContact O-N 2.9Å; L419-H422 PolarHBondContact O-N 2.85Å; L419-T423 HydrophobicContact CD1-CG2 4.29Å; L419-T423 HydrophobicContact CG-CG2 4.18Å; L419-T423 WeakPolarHBondContact O-CG2 3.37Å; L419-T423 PolarHBondContact O-N 3.24Å; L419-T423 PolarHBondContact O-OG1 3.1Å; L419-T423 VanDerWaalsContact O-OG1 3.1Å |
| 420 | S | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 178.8 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | F408 I416 R417 A418 H422 T423 I424 | F408-S420 WeakPolarHBondContact CB-OG 3.39Å; F408-S420 PolarHBondContact O-OG 2.91Å; I416-S420 PolarHBondContact O-N 2.95Å; I416-S420 PolarHBondContact O-OG 3.29Å; R417-S420 WeakPolarHBondContact O-CB 3.37Å; R417-S420 PolarHBondContact O-N 3.26Å; A418-S420 VanDerWaalsContact C-N 3.34Å; A418-S420 PolarHBondContact O-N 3.46Å; S420-H422 PolarHBondContact O-N 3.44Å; S420-T423 VanDerWaalsContact CA-OG1 3.27Å; S420-T423 WeakPolarHBondContact CA-OG1 3.26Å; S420-T423 PolarHBondContact O-N 2.83Å; S420-T423 PolarHBondContact O-OG1 2.97Å; S420-I424 WeakPolarHBondContact O-CB 3.47Å; S420-I424 WeakPolarHBondContact O-CD1 3.29Å; S420-I424 WeakPolarHBondContact O-CG1 3.35Å; S420-I424 PolarHBondContact O-N 2.96Å |
| 421 | I | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -51 | 175.5 | -65.3 | 168.8 | 0 | 0 | 0 | 110.2 | V409 R417 A418 L419 T423 I424 T425 V450 V461 L465 C468 | V409-I421 HydrophobicContact CG1-CG1 4.45Å; R417-I421 WeakPolarHBondContact O-CG1 3.42Å; R417-I421 PolarHBondContact O-N 3.05Å; R417-I421 VanDerWaalsContact O-N 3.15Å; A418-I421 PolarHBondContact O-N 3.14Å; L419-I421 VanDerWaalsContact C-N 3.32Å; L419-I421 PolarHBondContact O-N 2.9Å; I421-T423 PolarHBondContact O-N 2.91Å; I421-I424 PolarHBondContact O-N 3.43Å; I421-T425 PolarHBondContact O-N 3.43Å; I421-T425 PolarHBondContact O-OG1 3.08Å; I421-V450 HydrophobicContact CD1-CG1 4.48Å; I421-V450 HydrophobicContact CG1-CG1 4.29Å; I421-V461 HydrophobicContact CD1-CG1 3.96Å; I421-L465 HydrophobicContact CG2-CD1 4.48Å; I421-C468 HydrophobicContact CG2-CB 3.96Å |
| 422 | H | 96.7 | Very high | 94 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.3 | -71.9 | -63.7 | 0 | 0 | 0 | 113.2 | A418 L419 S420 T425 K426 A464 S467 C468 | A418-H422 PolarHBondContact O-CD2 3.35Å; A418-H422 PolarHBondContact O-N 3.2Å; L419-H422 PolarHBondContact O-N 2.85Å; S420-H422 PolarHBondContact O-N 3.44Å; H422-T425 PolarHBondContact O-N 2.84Å; H422-K426 WeakPolarHBondContact O-CB 3.29Å; H422-K426 PolarHBondContact O-N 3.21Å; H422-A464 WeakPolarHBondContact NE2-CB 3.5Å; H422-S467 PolarHBondContact CE1-OG 3.25Å; H422-C468 PolarHBondContact ND1-SG 2.97Å |
| 423 | T | 95.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | -180 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | L382 L419 S420 I421 K426 V427 | L382-T423 HydrophobicContact CB-CG2 4.44Å; L419-T423 HydrophobicContact CD1-CG2 4.29Å; L419-T423 HydrophobicContact CG-CG2 4.18Å; L419-T423 WeakPolarHBondContact O-CG2 3.37Å; L419-T423 PolarHBondContact O-N 3.24Å; L419-T423 PolarHBondContact O-OG1 3.1Å; L419-T423 VanDerWaalsContact O-OG1 3.1Å; S420-T423 VanDerWaalsContact CA-OG1 3.27Å; S420-T423 WeakPolarHBondContact CA-OG1 3.26Å; S420-T423 PolarHBondContact O-N 2.83Å; S420-T423 PolarHBondContact O-OG1 2.97Å; I421-T423 PolarHBondContact O-N 2.91Å; T423-K426 PolarHBondContact O-N 2.93Å; T423-V427 WeakPolarHBondContact O-CB 3.33Å; T423-V427 WeakPolarHBondContact O-CG2 3.31Å; T423-V427 PolarHBondContact O-N 2.83Å |
| 424 | I | 96.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 175.6 | -69.5 | 161.7 | 0 | 0 | 0 | 109.1 | L402 M405 L406 V409 S420 I421 K426 V427 M428 I446 | L402-I424 HydrophobicContact CD1-CG1 4.43Å; L402-I424 HydrophobicContact CD1-CG2 4.07Å; M405-I424 HydrophobicContact CB-CD1 4.21Å; M405-I424 HydrophobicContact CB-CG1 3.69Å; M405-I424 HydrophobicContact SD-CG1 4.42Å; L406-I424 HydrophobicContact CD2-CD1 3.78Å; L406-I424 HydrophobicContact CG-CD1 4.3Å; V409-I424 HydrophobicContact CG2-CD1 3.43Å; V409-I424 VanDerWaalsContact CG2-CD1 3.43Å; S420-I424 WeakPolarHBondContact O-CB 3.47Å; S420-I424 WeakPolarHBondContact O-CD1 3.29Å; S420-I424 WeakPolarHBondContact O-CG1 3.35Å; S420-I424 PolarHBondContact O-N 2.96Å; I421-I424 PolarHBondContact O-N 3.43Å; I424-K426 VanDerWaalsContact C-N 3.3Å; I424-K426 PolarHBondContact O-N 2.92Å; I424-V427 PolarHBondContact O-N 3.36Å; I424-M428 HydrophobicContact CG2-CG 3.97Å; I424-M428 WeakPolarHBondContact O-CB 3.47Å; I424-M428 WeakPolarHBondContact O-CG 3.48Å; I424-M428 PolarHBondContact O-N 2.96Å; I424-I446 HydrophobicContact CG2-CG2 4.23Å |
| 425 | T | 96.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.2 | -44.8 | 178.7 | -57 | 0 | 0 | 0 | 0 | 111.7 | I421 H422 A429 C468 C471 L472 | I421-T425 PolarHBondContact O-N 3.43Å; I421-T425 PolarHBondContact O-OG1 3.08Å; H422-T425 PolarHBondContact O-N 2.84Å; T425-A429 VanDerWaalsContact O-CB 3.25Å; T425-A429 WeakPolarHBondContact O-CB 3.35Å; T425-A429 PolarHBondContact O-N 3.32Å; T425-C468 HydrophobicContact CG2-CB 4.06Å; T425-C468 VanDerWaalsContact OG1-CB 3.3Å; T425-C468 WeakPolarHBondContact OG1-CB 3.44Å; T425-C468 PolarHBondContact OG1-SG 2.88Å; T425-C471 HydrophobicContact CG2-CB 3.59Å; T425-L472 HydrophobicContact CG2-CD2 4.25Å; T425-L472 HydrophobicContact CG2-CG 4.16Å; T425-L472 WeakPolarHBondContact OG1-CD2 3.16Å; T425-L472 WeakPolarHBondContact OG1-CG 3.14Å |
| 426 | K | 95.1 | Very high | 90.8 | Very high | 132 Ų | 132 | 41.6 Ų | 41.6 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.4 | -44.6 | 178.1 | -178.3 | 179.8 | 177.9 | -177.8 | 0 | 112.6 | T386 H422 T423 I424 N430 | T386-K426 HydrophobicContact CG2-CD 4.27Å; H422-K426 WeakPolarHBondContact O-CB 3.29Å; H422-K426 PolarHBondContact O-N 3.21Å; T423-K426 PolarHBondContact O-N 2.93Å; I424-K426 VanDerWaalsContact C-N 3.3Å; I424-K426 PolarHBondContact O-N 2.92Å; K426-N430 PolarHBondContact O-ND2 2.85Å; K426-N430 VanDerWaalsContact O-ND2 3.08Å |
| 427 | V | 95.6 | Very high | 89.8 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -48.8 | -179.8 | 166.6 | 0 | 0 | 0 | 0 | 110.6 | T386 A389 V397 M405 T423 I424 A429 N430 V431 | T386-V427 HydrophobicContact CG2-CG2 4.04Å; A389-V427 HydrophobicContact CB-CB 4.42Å; A389-V427 HydrophobicContact CB-CG1 3.63Å; A389-V427 HydrophobicContact CB-CG2 3.89Å; V397-V427 HydrophobicContact CG1-CG1 3.51Å; M405-V427 HydrophobicContact CE-CG2 3.8Å; M405-V427 HydrophobicContact SD-CB 4.43Å; M405-V427 HydrophobicContact SD-CG2 4.09Å; T423-V427 WeakPolarHBondContact O-CB 3.33Å; T423-V427 WeakPolarHBondContact O-CG2 3.31Å; T423-V427 PolarHBondContact O-N 2.83Å; I424-V427 PolarHBondContact O-N 3.36Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 2.88Å; V427-N430 PolarHBondContact O-N 3.21Å; V427-V431 PolarHBondContact O-N 3.03Å |
| 428 | M | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -36 | -178.6 | -64.4 | -56.9 | -62.8 | 0 | 0 | 112.2 | L398 L402 I424 N430 V431 V441 F442 I446 T475 F479 | L398-M428 HydrophobicContact CD2-CE 3.65Å; L398-M428 HydrophobicContact CD2-SD 3.98Å; L402-M428 HydrophobicContact CD1-SD 4.11Å; L402-M428 HydrophobicContact CD2-SD 4.13Å; I424-M428 HydrophobicContact CG2-CG 3.97Å; I424-M428 WeakPolarHBondContact O-CB 3.47Å; I424-M428 WeakPolarHBondContact O-CG 3.48Å; I424-M428 PolarHBondContact O-N 2.96Å; M428-N430 PolarHBondContact O-N 3.41Å; M428-V431 PolarHBondContact O-N 2.88Å; M428-V441 HydrophobicContact CE-CG1 4.18Å; M428-F442 HydrophobicContact CB-CZ 3.92Å; M428-F442 HydrophobicContact CE-CD2 4.38Å; M428-F442 HydrophobicContact CE-CE2 3.55Å; M428-F442 HydrophobicContact CE-CZ 3.73Å; M428-F442 HydrophobicContact CG-CZ 4.25Å; M428-I446 HydrophobicContact CE-CD1 3.6Å; M428-I446 HydrophobicContact CG-CD1 4.06Å; M428-I446 HydrophobicContact SD-CD1 4.03Å; M428-T475 HydrophobicContact CB-CG2 4.36Å; M428-T475 WeakPolarHBondContact O-CG2 3.3Å; M428-F479 HydrophobicContact CE-CD2 4.45Å; M428-F479 HydrophobicContact CE-CE2 3.46Å; M428-F479 VanDerWaalsContact CE-CE2 3.46Å; M428-F479 HydrophobicContact CE-CZ 3.79Å |
| 429 | A | 92.5 | Very high | 88.1 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -21.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T425 V427 | T425-A429 VanDerWaalsContact O-CB 3.25Å; T425-A429 WeakPolarHBondContact O-CB 3.35Å; T425-A429 PolarHBondContact O-N 3.32Å; V427-A429 VanDerWaalsContact C-N 3.3Å; V427-A429 PolarHBondContact O-N 2.88Å |
| 430 | N | 90.7 | Very high | 87.4 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -90.9 | -11.3 | 178.5 | -70.6 | -36 | 0 | 0 | 0 | 113.6 | K426 V427 M428 K432 | K426-N430 PolarHBondContact O-ND2 2.85Å; K426-N430 VanDerWaalsContact O-ND2 3.08Å; V427-N430 PolarHBondContact O-N 3.21Å; M428-N430 PolarHBondContact O-N 3.41Å; N430-K432 PolarHBondContact O-N 2.89Å |
| 431 | V | 89.4 | Confident | 87 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -76.2 | 110.7 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 108.9 | A394 V397 V427 M428 V434 F479 | A394-V431 HydrophobicContact CB-CG1 3.71Å; V397-V431 HydrophobicContact CG1-CG2 4.22Å; V427-V431 PolarHBondContact O-N 3.03Å; M428-V431 PolarHBondContact O-N 2.88Å; V431-V434 HydrophobicContact CG1-CG2 3.87Å; V431-F479 HydrophobicContact CB-CE1 4.43Å; V431-F479 HydrophobicContact CB-CZ 3.81Å; V431-F479 HydrophobicContact CG1-CE1 4.32Å; V431-F479 HydrophobicContact CG1-CE2 4.35Å; V431-F479 HydrophobicContact CG1-CZ 3.63Å | ||
| 432 | K | 82 | Confident | 86.7 | Confident | 174 Ų | 174 | 49 Ų | 49 | 76% | 0.757 | 27% | 0.269 | S | S | * | . | trans | -89.5 | -32.9 | -172.5 | -66.2 | -177 | -177.7 | 175.5 | 0 | 114.4 | N430 Q482 | N430-K432 PolarHBondContact O-N 2.89Å; K432-Q482 PolarHBondContact O-NE2 3.11Å; K432-Q482 PolarHBondContact O-OE1 3.5Å; K432-Q482 VanDerWaalsContact O-OE1 3.1Å | ||
| 433 | T | 79.5 | Confident | 86.1 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | trans | -131.5 | 130.6 | -174.4 | 52.6 | 0 | 0 | 0 | 0 | 108.6 | A394 | A394-T433 WeakPolarHBondContact CB-O 2.93Š| ||
| 434 | V | 80.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | trans | -123.4 | 131 | -175.8 | -176.6 | 0 | 0 | 0 | 0 | 109 | L398 V431 D438 F479 | L398-V434 HydrophobicContact CD1-CG1 4.1Å; V431-V434 HydrophobicContact CG1-CG2 3.87Å; V434-D438 HydrophobicContact CG1-CB 4.18Å; V434-F479 HydrophobicContact CB-CD2 4.31Å; V434-F479 HydrophobicContact CB-CE2 4.47Å; V434-F479 HydrophobicContact CG1-CD2 4.02Å; V434-F479 HydrophobicContact CG1-CE2 4.27Å; V434-F479 HydrophobicContact CG2-CD1 3.76Å; V434-F479 HydrophobicContact CG2-CD2 3.51Å; V434-F479 HydrophobicContact CG2-CE1 3.64Å; V434-F479 HydrophobicContact CG2-CE2 3.37Å; V434-F479 HydrophobicContact CG2-CG 3.71Å; V434-F479 HydrophobicContact CG2-CZ 3.45Å; V434-F479 VanDerWaalsContact CG2-CZ 3.45Å | ||
| 435 | P | 73.8 | Confident | 85.2 | Confident | 47 Ų | 47 | 57 Ų | 57 | 31% | 0.305 | 31% | 0.305 | S | S | . | . | trans | -59.1 | 143.5 | 170.7 | -21.2 | 32.7 | 0 | 0 | 0 | 111 | D395 S437 D438 A439 | D395-P435 HydrophobicContact CB-CG 4.45Å; P435-S437 PolarHBondContact O-N 3.09Å; P435-D438 PolarHBondContact O-N 3.16Å; P435-A439 PolarHBondContact O-N 3.18Å | ||
| 436 | A | 70.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 35% | 0.347 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -58.4 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D438 L487 | A436-D438 VanDerWaalsContact C-N 3.28Å; A436-D438 PolarHBondContact O-N 3.13Å; A436-L487 HydrophobicContact CB-CD1 4.4Å |
| 437 | S | 72.8 | Confident | 85.1 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 69% | 0.692 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -64.1 | -30.2 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | P435 | P435-S437 PolarHBondContact O-N 3.09Š|
| 438 | D | 79.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.193 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -108.3 | 6.5 | -169.9 | -51.5 | -34.6 | 0 | 0 | 0 | 112.2 | L398 V434 P435 A436 R440 V441 | L398-D438 HydrophobicContact CD1-CB 3.83Å; V434-D438 HydrophobicContact CG1-CB 4.18Å; P435-D438 PolarHBondContact O-N 3.16Å; A436-D438 VanDerWaalsContact C-N 3.28Å; A436-D438 PolarHBondContact O-N 3.13Å; D438-R440 PolarHBondContact O-N 3.03Å; D438-R440 VanDerWaalsContact O-N 3.11Å; D438-V441 VanDerWaalsContact O-CB 3.27Å; D438-V441 WeakPolarHBondContact O-CB 3.29Å; D438-V441 VanDerWaalsContact O-CG1 3.31Å; D438-V441 WeakPolarHBondContact O-CG1 3.16Å; D438-V441 PolarHBondContact O-N 3.04Å |
| 439 | A | 77.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P435 V441 A483 | P435-A439 PolarHBondContact O-N 3.18Å; A439-V441 VanDerWaalsContact C-N 3.34Å; A439-A483 HydrophobicContact CB-CB 3.24Å |
| 440 | R | 81.8 | Confident | 84.8 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.5 | -177.9 | -64.6 | -174.1 | 174.2 | -160.4 | -7.1 | 114.4 | D438 F442 V443 D444 E508 | D438-R440 PolarHBondContact O-N 3.03Å; D438-R440 VanDerWaalsContact O-N 3.11Å; R440-F442 PolarHBondContact O-N 3.35Å; R440-V443 PolarHBondContact O-N 3.45Å; R440-D444 VanDerWaalsContact CB-OD2 3.3Å; R440-D444 WeakPolarHBondContact CB-OD2 3.43Å; R440-D444 PolarHBondContact O-N 3.16Å; R440-E508 IonicContact CZ-OE1 2.88Å; R440-E508 IonicContact CZ-OE2 3.05Å; R440-E508 IonicContact NE-OE2 3.52Å; R440-E508 IonicContact NH1-OE1 2.68Å; R440-E508 PolarHBondContact NH1-OE1 3.03Å; R440-E508 VanDerWaalsContact NH2-CG 3.26Å; R440-E508 IonicContact NH2-OE1 3.66Å; R440-E508 PolarHBondContact NH2-OE1 3.12Å; R440-E508 IonicContact NH2-OE2 3.66Å |
| 441 | V | 88.5 | Confident | 84.7 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.2 | -33.2 | -177.3 | 68.9 | 0 | 0 | 0 | 0 | 113.5 | L398 L402 M428 D438 A439 Y445 I446 F479 | L398-V441 HydrophobicContact CD2-CG1 4.26Å; L398-V441 HydrophobicContact CD2-CG2 4.39Å; L402-V441 HydrophobicContact CD2-CG2 3.59Å; M428-V441 HydrophobicContact CE-CG1 4.18Å; D438-V441 VanDerWaalsContact O-CB 3.27Å; D438-V441 WeakPolarHBondContact O-CB 3.29Å; D438-V441 VanDerWaalsContact O-CG1 3.31Å; D438-V441 WeakPolarHBondContact O-CG1 3.16Å; D438-V441 PolarHBondContact O-N 3.04Å; A439-V441 VanDerWaalsContact C-N 3.34Å; V441-Y445 WeakPolarHBondContact O-CB 3.27Å; V441-Y445 PolarHBondContact O-N 2.75Å; V441-I446 HydrophobicContact CG1-CD1 4.4Å; V441-I446 HydrophobicContact CG2-CD1 4.38Å; V441-I446 HydrophobicContact CG2-CG1 4.42Å; V441-I446 PolarHBondContact O-N 2.94Å; V441-F479 HydrophobicContact CG1-CD2 4.01Å; V441-F479 HydrophobicContact CG1-CE2 4.15Å |
| 442 | F | 89.9 | Confident | 84.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -68.1 | -48.1 | 177.1 | -83.3 | -88 | 0 | 0 | 0 | 113 | M428 R440 I446 F447 L472 T475 A476 F479 | M428-F442 HydrophobicContact CB-CZ 3.92Å; M428-F442 HydrophobicContact CE-CD2 4.38Å; M428-F442 HydrophobicContact CE-CE2 3.55Å; M428-F442 HydrophobicContact CE-CZ 3.73Å; M428-F442 HydrophobicContact CG-CZ 4.25Å; R440-F442 PolarHBondContact O-N 3.35Å; F442-I446 HydrophobicContact CD1-CB 4.19Å; F442-I446 HydrophobicContact CD1-CD1 3.75Å; F442-I446 HydrophobicContact CD1-CG2 4.26Å; F442-I446 HydrophobicContact CD2-CD1 4.2Å; F442-I446 HydrophobicContact CE1-CD1 3.79Å; F442-I446 HydrophobicContact CE1-CG2 4.49Å; F442-I446 HydrophobicContact CE2-CD1 4.23Å; F442-I446 HydrophobicContact CG-CD1 3.97Å; F442-I446 HydrophobicContact CZ-CD1 4.04Å; F442-I446 PolarHBondContact O-N 2.86Å; F442-F447 HydrophobicContact CB-CD2 4.13Å; F442-F447 HydrophobicContact CB-CE2 3.95Å; F442-F447 HydrophobicContact CD1-CE2 4.09Å; F442-F447 HydrophobicContact CD1-CZ 4.08Å; F442-F447 HydrophobicContact CG-CE2 4.47Å; F442-F447 WeakPolarHBondContact O-CB 3.4Å; F442-F447 VanDerWaalsContact O-CD2 3.28Å; F442-F447 WeakPolarHBondContact O-CD2 3.37Å; F442-F447 PolarHBondContact O-N 2.77Å; F442-L472 HydrophobicContact CE1-CD2 3.94Å; F442-T475 HydrophobicContact CE2-CG2 3.89Å; F442-T475 HydrophobicContact CZ-CG2 3.56Å; F442-A476 HydrophobicContact CB-CB 3.74Å; F442-A476 HydrophobicContact CD1-CB 3.69Å; F442-A476 HydrophobicContact CD2-CB 3.93Å; F442-A476 HydrophobicContact CE1-CB 4.22Å; F442-A476 HydrophobicContact CE2-CB 4.43Å; F442-A476 HydrophobicContact CG-CB 3.51Å; F442-F479 AromaticContact CD2-CD2 3.79Å; F442-F479 HydrophobicContact CD2-CD2 3.79Å; F442-F479 HydrophobicContact CD2-CE2 4.26Å; F442-F479 HydrophobicContact CD2-CG 4.22Å; F442-F479 HydrophobicContact CE2-CD1 4.34Å; F442-F479 AromaticContact CE2-CD2 3.53Å; F442-F479 HydrophobicContact CE2-CD2 3.53Å; F442-F479 HydrophobicContact CE2-CE1 4.42Å; F442-F479 AromaticContact CE2-CE2 3.63Å; F442-F479 HydrophobicContact CE2-CE2 3.63Å; F442-F479 AromaticContact CE2-CG 3.91Å; F442-F479 HydrophobicContact CE2-CG 3.91Å; F442-F479 HydrophobicContact CE2-CZ 4.07Å |
| 443 | V | 85.6 | Confident | 85.1 | Confident | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -73.2 | -40.4 | -177.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | R440 P448 I511 | R440-V443 PolarHBondContact O-N 3.45Å; V443-P448 WeakPolarHBondContact O-CD 3.38Å; V443-P448 WeakPolarHBondContact O-CG 3.36Å; V443-I511 HydrophobicContact CG1-CG2 4.16Å |
| 444 | D | 84.5 | Confident | 85.6 | Confident | 89 Ų | 89 | 43 Ų | 43 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -86.2 | -29.1 | -172.8 | -67.3 | -20.3 | 0 | 0 | 0 | 113.5 | R440 | R440-D444 VanDerWaalsContact CB-OD2 3.3Å; R440-D444 WeakPolarHBondContact CB-OD2 3.43Å; R440-D444 PolarHBondContact O-N 3.16Å |
| 445 | Y | 89 | Confident | 85.9 | Confident | 153 Ų | 153 | 48.6 Ų | 48.6 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -127.5 | -51.7 | -171.6 | -67.7 | -83.9 | 0 | 0 | 0 | 114.4 | V441 T449 | V441-Y445 WeakPolarHBondContact O-CB 3.27Å; V441-Y445 PolarHBondContact O-N 2.75Å; Y445-T449 WeakPolarHBondContact O-CB 3.4Å; Y445-T449 PolarHBondContact O-N 2.83Å; Y445-T449 PolarHBondContact O-OG1 2.67Å |
| 446 | I | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -70.8 | -56.3 | -171.5 | -58.8 | 174 | 0 | 0 | 0 | 110.8 | L402 I424 M428 V441 F442 T449 V450 | L402-I446 HydrophobicContact CD1-CD1 4.33Å; L402-I446 HydrophobicContact CD1-CG1 4.29Å; L402-I446 HydrophobicContact CD2-CD1 3.95Å; L402-I446 HydrophobicContact CD2-CG1 3.99Å; I424-I446 HydrophobicContact CG2-CG2 4.23Å; M428-I446 HydrophobicContact CE-CD1 3.6Å; M428-I446 HydrophobicContact CG-CD1 4.06Å; M428-I446 HydrophobicContact SD-CD1 4.03Å; V441-I446 HydrophobicContact CG1-CD1 4.4Å; V441-I446 HydrophobicContact CG2-CD1 4.38Å; V441-I446 HydrophobicContact CG2-CG1 4.42Å; V441-I446 PolarHBondContact O-N 2.94Å; F442-I446 HydrophobicContact CD1-CB 4.19Å; F442-I446 HydrophobicContact CD1-CD1 3.75Å; F442-I446 HydrophobicContact CD1-CG2 4.26Å; F442-I446 HydrophobicContact CD2-CD1 4.2Å; F442-I446 HydrophobicContact CE1-CD1 3.79Å; F442-I446 HydrophobicContact CE1-CG2 4.49Å; F442-I446 HydrophobicContact CE2-CD1 4.23Å; F442-I446 HydrophobicContact CG-CD1 3.97Å; F442-I446 HydrophobicContact CZ-CD1 4.04Å; F442-I446 PolarHBondContact O-N 2.86Å; I446-T449 PolarHBondContact O-N 2.63Å; I446-V450 HydrophobicContact CG2-CG2 4.12Å; I446-V450 WeakPolarHBondContact O-CB 3.49Å; I446-V450 WeakPolarHBondContact O-CG2 3.47Å; I446-V450 PolarHBondContact O-N 3.03Å |
| 447 | F | 93.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | -177.7 | -71.4 | -45.2 | 0 | 0 | 0 | 113.5 | F442 T449 V450 L451 I469 L472 A476 L512 L515 V516 | F442-F447 HydrophobicContact CB-CD2 4.13Å; F442-F447 HydrophobicContact CB-CE2 3.95Å; F442-F447 HydrophobicContact CD1-CE2 4.09Å; F442-F447 HydrophobicContact CD1-CZ 4.08Å; F442-F447 HydrophobicContact CG-CE2 4.47Å; F442-F447 WeakPolarHBondContact O-CB 3.4Å; F442-F447 VanDerWaalsContact O-CD2 3.28Å; F442-F447 WeakPolarHBondContact O-CD2 3.37Å; F442-F447 PolarHBondContact O-N 2.77Å; F447-T449 PolarHBondContact O-N 3.2Å; F447-T449 VanDerWaalsContact O-N 3.08Å; F447-V450 PolarHBondContact O-N 2.84Å; F447-L451 HydrophobicContact CB-CD1 3.65Å; F447-L451 HydrophobicContact CB-CG 3.86Å; F447-L451 HydrophobicContact CD1-CD1 4.03Å; F447-L451 HydrophobicContact CD1-CD2 3.86Å; F447-L451 HydrophobicContact CD1-CG 3.9Å; F447-L451 HydrophobicContact CG-CD1 4.02Å; F447-L451 HydrophobicContact CG-CG 4.25Å; F447-L451 VanDerWaalsContact O-CB 3.25Å; F447-L451 WeakPolarHBondContact O-CB 3.34Å; F447-L451 VanDerWaalsContact O-CG 3.24Å; F447-L451 WeakPolarHBondContact O-CG 3.47Å; F447-L451 PolarHBondContact O-N 3.3Å; F447-I469 HydrophobicContact CE1-CD1 4.36Å; F447-L472 HydrophobicContact CE1-CB 4.04Å; F447-L472 HydrophobicContact CZ-CB 4.29Å; F447-A476 HydrophobicContact CE2-CB 3.95Å; F447-A476 HydrophobicContact CZ-CB 4.17Å; F447-L512 HydrophobicContact CD2-CD1 4.19Å; F447-L512 HydrophobicContact CE2-CD1 3.42Å; F447-L512 VanDerWaalsContact CE2-CD1 3.42Å; F447-L512 HydrophobicContact CZ-CD1 4.24Å; F447-L515 HydrophobicContact CB-CD2 3.6Å; F447-L515 HydrophobicContact CD2-CD2 3.63Å; F447-L515 HydrophobicContact CE2-CD2 4.49Å; F447-L515 HydrophobicContact CG-CD2 3.76Å; F447-V516 HydrophobicContact CZ-CG2 4.39Å |
| 448 | P | 90.9 | Very high | 88.5 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.1 | -27.9 | 173.6 | -29.9 | 38.5 | 0 | 0 | 0 | 113.8 | V443 P452 | V443-P448 WeakPolarHBondContact O-CD 3.38Å; V443-P448 WeakPolarHBondContact O-CG 3.36Å; P448-P452 WeakPolarHBondContact O-CD 3.27Å; P448-P452 WeakPolarHBondContact O-CG 3.19Å |
| 449 | T | 92.5 | Very high | 88.9 | Confident | 50 Ų | 50 | 49 Ų | 49 | 31% | 0.307 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -87.2 | -42 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | L406 V409 Y445 I446 F447 | L406-T449 HydrophobicContact CB-CG2 4.27Å; L406-T449 HydrophobicContact CD2-CG2 4Å; V409-T449 HydrophobicContact CB-CG2 4.16Å; V409-T449 HydrophobicContact CG1-CG2 4.26Å; Y445-T449 WeakPolarHBondContact O-CB 3.4Å; Y445-T449 PolarHBondContact O-N 2.83Å; Y445-T449 PolarHBondContact O-OG1 2.67Å; I446-T449 PolarHBondContact O-N 2.63Å; F447-T449 PolarHBondContact O-N 3.2Å; F447-T449 VanDerWaalsContact O-N 3.08Å |
| 450 | V | 93.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -83.4 | -41.5 | -172.6 | 173.6 | 0 | 0 | 0 | 0 | 112.3 | L406 V409 I421 I446 F447 R453 L465 | L406-V450 HydrophobicContact CD2-CG2 4.38Å; V409-V450 HydrophobicContact CG1-CG2 4.34Å; V409-V450 HydrophobicContact CG2-CG2 4.4Å; I421-V450 HydrophobicContact CD1-CG1 4.48Å; I421-V450 HydrophobicContact CG1-CG1 4.29Å; I446-V450 HydrophobicContact CG2-CG2 4.12Å; I446-V450 WeakPolarHBondContact O-CB 3.49Å; I446-V450 WeakPolarHBondContact O-CG2 3.47Å; I446-V450 PolarHBondContact O-N 3.03Å; F447-V450 PolarHBondContact O-N 2.84Å; V450-R453 WeakPolarHBondContact O-CB 3.12Å; V450-R453 WeakPolarHBondContact O-CG 3.37Å; V450-R453 PolarHBondContact O-N 2.77Å; V450-L465 HydrophobicContact CG1-CD1 3.5Å |
| 451 | L | 89.5 | Confident | 90.2 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -67.9 | -31.4 | -172.3 | -60.5 | -173.6 | 0 | 0 | 0 | 114.9 | F447 R453 I454 I469 L515 V519 | F447-L451 HydrophobicContact CB-CD1 3.65Å; F447-L451 HydrophobicContact CB-CG 3.86Å; F447-L451 HydrophobicContact CD1-CD1 4.03Å; F447-L451 HydrophobicContact CD1-CD2 3.86Å; F447-L451 HydrophobicContact CD1-CG 3.9Å; F447-L451 HydrophobicContact CG-CD1 4.02Å; F447-L451 HydrophobicContact CG-CG 4.25Å; F447-L451 VanDerWaalsContact O-CB 3.25Å; F447-L451 WeakPolarHBondContact O-CB 3.34Å; F447-L451 VanDerWaalsContact O-CG 3.24Å; F447-L451 WeakPolarHBondContact O-CG 3.47Å; F447-L451 PolarHBondContact O-N 3.3Å; L451-R453 PolarHBondContact O-N 3.14Å; L451-I454 HydrophobicContact CB-CD1 4.09Å; L451-I454 HydrophobicContact CD2-CD1 4.35Å; L451-I454 WeakPolarHBondContact O-CB 3.36Å; L451-I454 WeakPolarHBondContact O-CD1 3.24Å; L451-I454 WeakPolarHBondContact O-CG1 3.43Å; L451-I454 PolarHBondContact O-N 3.03Å; L451-I469 HydrophobicContact CD2-CD1 4.35Å; L451-L515 HydrophobicContact CD1-CD1 3.48Å; L451-L515 VanDerWaalsContact CD1-CD1 3.48Å; L451-L515 HydrophobicContact CD1-CD2 3.59Å; L451-L515 HydrophobicContact CD1-CG 3.39Å; L451-V519 HydrophobicContact CB-CG2 4.47Å; L451-V519 HydrophobicContact CD1-CG2 3.66Å; L451-V519 HydrophobicContact CD2-CB 4.43Å; L451-V519 HydrophobicContact CD2-CG1 4.09Å; L451-V519 HydrophobicContact CD2-CG2 3.61Å; L451-V519 HydrophobicContact CG-CG2 4.08Å |
| 452 | P | 90.4 | Very high | 90.5 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -56.2 | -17.4 | 169.5 | -28 | 36.7 | 0 | 0 | 0 | 114 | P448 I454 | P448-P452 WeakPolarHBondContact O-CD 3.27Å; P448-P452 WeakPolarHBondContact O-CG 3.19Å; P452-I454 VanDerWaalsContact C-N 3.27Å; P452-I454 PolarHBondContact O-N 3.05Å |
| 453 | R | 89.9 | Confident | 90.7 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -77.7 | -2.7 | 175.7 | -53.9 | -62 | 105.2 | -167 | 8.6 | 114.3 | V409 V450 L451 N455 D456 V461 | V409-R453 HydrophobicContact CG1-CG 3.84Å; V450-R453 WeakPolarHBondContact O-CB 3.12Å; V450-R453 WeakPolarHBondContact O-CG 3.37Å; V450-R453 PolarHBondContact O-N 2.77Å; L451-R453 PolarHBondContact O-N 3.14Å; R453-N455 PolarHBondContact O-N 2.85Å; R453-D456 HydrophobicContact CB-CB 4.46Å; R453-D456 IonicContact NH1-OD2 3.94Å; R453-D456 PolarHBondContact NH1-OD2 3.39Å; R453-D456 WeakPolarHBondContact O-CB 3.34Å; R453-D456 PolarHBondContact O-N 2.98Å; R453-V461 HydrophobicContact CB-CG1 3.95Å |
| 454 | I | 88.9 | Confident | 91.2 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -60 | -36.2 | 172.1 | -63.6 | 157.2 | 0 | 0 | 0 | 110.7 | L451 P452 D456 K462 L465 V519 T522 L523 | L451-I454 HydrophobicContact CB-CD1 4.09Å; L451-I454 HydrophobicContact CD2-CD1 4.35Å; L451-I454 WeakPolarHBondContact O-CB 3.36Å; L451-I454 WeakPolarHBondContact O-CD1 3.24Å; L451-I454 WeakPolarHBondContact O-CG1 3.43Å; L451-I454 PolarHBondContact O-N 3.03Å; P452-I454 VanDerWaalsContact C-N 3.27Å; P452-I454 PolarHBondContact O-N 3.05Å; I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 2.9Å; I454-K462 WeakPolarHBondContact O-CE 3.5Å; I454-L465 HydrophobicContact CB-CD2 4.25Å; I454-L465 HydrophobicContact CD1-CD2 4.46Å; I454-L465 HydrophobicContact CG1-CD2 3.32Å; I454-V519 HydrophobicContact CD1-CB 3.9Å; I454-V519 HydrophobicContact CD1-CG1 3.56Å; I454-V519 HydrophobicContact CD1-CG2 3.45Å; I454-V519 VanDerWaalsContact CD1-CG2 3.45Å; I454-V519 HydrophobicContact CG1-CG1 3.98Å; I454-T522 HydrophobicContact CG2-CG2 3.44Å; I454-T522 VanDerWaalsContact CG2-CG2 3.44Å; I454-L523 HydrophobicContact CG2-CD2 4.38Å |
| 455 | N | 87.2 | Confident | 91.7 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 68% | 0.684 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -92.6 | 19.6 | 177.2 | -64.2 | -30.9 | 0 | 0 | 0 | 112.6 | R453 | R453-N455 PolarHBondContact O-N 2.85Š|
| 456 | D | 91.3 | Very high | 92 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | trans | -65.5 | 137.6 | 178.4 | -161 | -69.1 | 0 | 0 | 0 | 110.7 | R417 R453 I454 S458 V461 K462 | R417-D456 IonicContact CZ-OD1 3.65Å; R417-D456 IonicContact CZ-OD2 2.69Å; R417-D456 IonicContact NE-OD1 2.92Å; R417-D456 IonicContact NE-OD2 2.8Å; R417-D456 PolarHBondContact NE-OD2 2.79Å; R417-D456 IonicContact NH2-OD1 3.18Å; R417-D456 PolarHBondContact NH2-OD1 2.88Å; R417-D456 IonicContact NH2-OD2 3.76Å; R417-D456 PolarHBondContact NH2-OD2 2.86Å; R417-D456 VanDerWaalsContact NH2-OD2 3.17Å; R453-D456 HydrophobicContact CB-CB 4.46Å; R453-D456 IonicContact NH1-OD2 3.94Å; R453-D456 PolarHBondContact NH1-OD2 3.39Å; R453-D456 WeakPolarHBondContact O-CB 3.34Å; R453-D456 PolarHBondContact O-N 2.98Å; I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 2.9Å; D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 WeakPolarHBondContact OD1-CB 3.25Å; D456-S458 PolarHBondContact OD1-N 3.42Å; D456-V461 HydrophobicContact CB-CB 4.04Å; D456-V461 HydrophobicContact CB-CG1 3.93Å; D456-K462 WeakPolarHBondContact O-CE 3.46Å | ||
| 457 | N | 88.3 | Confident | 92.1 | Very high | 171 Ų | 171 | 41 Ų | 41 | 91% | 0.914 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -63.5 | -23.9 | -179.6 | -65.9 | -24.4 | 0 | 0 | 0 | 112.6 | ||
| 458 | S | 91.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | trans | -87.4 | 119.9 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 112 | A414 D456 V460 V461 K462 | A414-S458 WeakPolarHBondContact CB-OG 3.47Å; D456-S458 PolarHBondContact O-N 3.44Å; D456-S458 WeakPolarHBondContact OD1-CB 3.25Å; D456-S458 PolarHBondContact OD1-N 3.42Å; S458-V460 PolarHBondContact O-N 3.09Å; S458-V460 VanDerWaalsContact O-N 3.14Å; S458-V460 PolarHBondContact OG-N 2.79Å; S458-V461 PolarHBondContact O-N 3.42Å; S458-V461 VanDerWaalsContact O-N 3.11Å; S458-K462 PolarHBondContact O-N 2.82Å | ||
| 459 | G | 89.1 | Confident | 92.4 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.6 | -28.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V461 K462 L463 | G459-V461 PolarHBondContact O-N 2.63Å; G459-K462 PolarHBondContact O-N 3.32Å; G459-L463 WeakPolarHBondContact O-CB 3.42Å; G459-L463 WeakPolarHBondContact O-CD1 3.5Å; G459-L463 WeakPolarHBondContact O-CG 3.31Å; G459-L463 PolarHBondContact O-N 2.89Å |
| 460 | V | 92.6 | Very high | 92.5 | Very high | 84 Ų | 84 | 35.4 Ų | 35.4 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -37.7 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | A418 S458 L463 A464 | A418-V460 HydrophobicContact CB-CG1 4.01Å; S458-V460 PolarHBondContact O-N 3.09Å; S458-V460 VanDerWaalsContact O-N 3.14Å; S458-V460 PolarHBondContact OG-N 2.79Å; V460-L463 PolarHBondContact O-N 2.77Å; V460-A464 PolarHBondContact O-N 3.32Å |
| 461 | V | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -42.1 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | A414 R417 A418 I421 R453 D456 S458 G459 L463 A464 L465 | A414-V461 HydrophobicContact CB-CG2 4.07Å; A414-V461 WeakPolarHBondContact O-CG2 3.33Å; R417-V461 HydrophobicContact CB-CG1 4.46Å; R417-V461 HydrophobicContact CB-CG2 4.01Å; A418-V461 HydrophobicContact CB-CG2 4.37Å; I421-V461 HydrophobicContact CD1-CG1 3.96Å; R453-V461 HydrophobicContact CB-CG1 3.95Å; D456-V461 HydrophobicContact CB-CB 4.04Å; D456-V461 HydrophobicContact CB-CG1 3.93Å; S458-V461 PolarHBondContact O-N 3.42Å; S458-V461 VanDerWaalsContact O-N 3.11Å; G459-V461 PolarHBondContact O-N 2.63Å; V461-L463 PolarHBondContact O-N 3.14Å; V461-A464 PolarHBondContact O-N 2.84Å; V461-L465 PolarHBondContact O-N 3.3Å |
| 462 | K | 95 | Very high | 92.9 | Very high | 34 Ų | 34 | 36.3 Ų | 36.3 | 15% | 0.148 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.8 | -61.2 | -170.6 | 178.5 | -165.1 | 0 | 112.5 | I454 D456 S458 G459 L465 A466 D526 V531 | I454-K462 WeakPolarHBondContact O-CE 3.5Å; D456-K462 WeakPolarHBondContact O-CE 3.46Å; S458-K462 PolarHBondContact O-N 2.82Å; G459-K462 PolarHBondContact O-N 3.32Å; K462-L465 PolarHBondContact O-N 3.08Å; K462-A466 WeakPolarHBondContact O-CB 3.25Å; K462-A466 PolarHBondContact O-N 3.4Å; K462-D526 WeakPolarHBondContact CD-OD2 3.48Å; K462-D526 IonicContact NZ-OD2 2.7Å; K462-D526 PolarHBondContact NZ-OD2 3.32Å; K462-V531 HydrophobicContact CB-CG1 4.35Å; K462-V531 HydrophobicContact CB-CG2 3.76Å |
| 463 | L | 94.2 | Very high | 93 | Very high | 49 Ų | 49 | 33 Ų | 33 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.7 | -73 | 164.8 | 0 | 0 | 0 | 111.4 | G459 V460 V461 L465 A466 S467 Y530 V531 V534 | G459-L463 WeakPolarHBondContact O-CB 3.42Å; G459-L463 WeakPolarHBondContact O-CD1 3.5Å; G459-L463 WeakPolarHBondContact O-CG 3.31Å; G459-L463 PolarHBondContact O-N 2.89Å; V460-L463 PolarHBondContact O-N 2.77Å; V461-L463 PolarHBondContact O-N 3.14Å; L463-L465 PolarHBondContact O-N 2.59Å; L463-A466 PolarHBondContact O-N 3.5Å; L463-S467 PolarHBondContact O-N 3.29Å; L463-Y530 VanDerWaalsContact CD2-O 3.3Å; L463-Y530 WeakPolarHBondContact CD2-O 3.16Å; L463-V531 HydrophobicContact CD2-CG2 4.04Å; L463-V531 HydrophobicContact CG-CG2 4.08Å; L463-V534 HydrophobicContact CD2-CB 4.09Å; L463-V534 HydrophobicContact CD2-CG2 3.66Å |
| 464 | A | 95.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A418 H422 V460 V461 A466 S467 C468 | A418-A464 HydrophobicContact CB-CB 3.81Å; H422-A464 WeakPolarHBondContact NE2-CB 3.5Å; V460-A464 PolarHBondContact O-N 3.32Å; V461-A464 PolarHBondContact O-N 2.84Å; A464-A466 PolarHBondContact O-N 3.44Å; A464-S467 PolarHBondContact O-N 3.11Å; A464-S467 PolarHBondContact O-OG 2.94Å; A464-C468 WeakPolarHBondContact O-CB 3.49Å; A464-C468 PolarHBondContact O-N 3.08Å; A464-C468 VanDerWaalsContact O-N 3.1Å; A464-C468 PolarHBondContact O-SG 2.76Å; A464-C468 VanDerWaalsContact O-SG 3.4Å |
| 465 | L | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.8 | -174.3 | 60.1 | 0 | 0 | 0 | 112.4 | I421 V450 I454 V461 K462 L463 S467 C468 I469 L523 | I421-L465 HydrophobicContact CG2-CD1 4.48Å; V450-L465 HydrophobicContact CG1-CD1 3.5Å; I454-L465 HydrophobicContact CB-CD2 4.25Å; I454-L465 HydrophobicContact CD1-CD2 4.46Å; I454-L465 HydrophobicContact CG1-CD2 3.32Å; V461-L465 PolarHBondContact O-N 3.3Å; K462-L465 PolarHBondContact O-N 3.08Å; L463-L465 PolarHBondContact O-N 2.59Å; L465-S467 VanDerWaalsContact C-N 3.3Å; L465-S467 PolarHBondContact O-N 3.4Å; L465-C468 PolarHBondContact O-N 3.37Å; L465-C468 VanDerWaalsContact O-N 3.1Å; L465-I469 WeakPolarHBondContact O-CB 3.48Å; L465-I469 PolarHBondContact O-N 2.93Å; L465-L523 HydrophobicContact CG-CD1 4.42Å |
| 466 | A | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -36.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | K462 L463 A464 C468 L523 V531 V534 L535 S539 | K462-A466 WeakPolarHBondContact O-CB 3.25Å; K462-A466 PolarHBondContact O-N 3.4Å; L463-A466 PolarHBondContact O-N 3.5Å; A464-A466 PolarHBondContact O-N 3.44Å; A466-C468 VanDerWaalsContact C-N 3.31Å; A466-L523 HydrophobicContact CB-CD1 4.31Å; A466-V531 HydrophobicContact CB-CG1 4Å; A466-V534 HydrophobicContact CB-CG1 4.27Å; A466-L535 HydrophobicContact CB-CB 4.04Å; A466-L535 HydrophobicContact CB-CD1 4.31Å; A466-S539 WeakPolarHBondContact O-CB 3.48Å; A466-S539 PolarHBondContact O-OG 3.42Å |
| 467 | S | 95.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 27 Ų | 27 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.3 | -25.3 | 175.7 | 73.7 | 0 | 0 | 0 | 0 | 113.3 | H422 L463 A464 L465 S539 | H422-S467 PolarHBondContact CE1-OG 3.25Å; L463-S467 PolarHBondContact O-N 3.29Å; A464-S467 PolarHBondContact O-N 3.11Å; A464-S467 PolarHBondContact O-OG 2.94Å; L465-S467 VanDerWaalsContact C-N 3.3Å; L465-S467 PolarHBondContact O-N 3.4Å; S467-S539 PolarHBondContact O-OG 2.96Å |
| 468 | C | 95.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.034 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -102.5 | -24.7 | -170.2 | -76.4 | 0 | 0 | 0 | 0 | 114.3 | I421 H422 T425 A464 L465 A466 G470 C471 L472 | I421-C468 HydrophobicContact CG2-CB 3.96Å; H422-C468 PolarHBondContact ND1-SG 2.97Å; T425-C468 HydrophobicContact CG2-CB 4.06Å; T425-C468 VanDerWaalsContact OG1-CB 3.3Å; T425-C468 WeakPolarHBondContact OG1-CB 3.44Å; T425-C468 PolarHBondContact OG1-SG 2.88Å; A464-C468 WeakPolarHBondContact O-CB 3.49Å; A464-C468 PolarHBondContact O-N 3.08Å; A464-C468 VanDerWaalsContact O-N 3.1Å; A464-C468 PolarHBondContact O-SG 2.76Å; A464-C468 VanDerWaalsContact O-SG 3.4Å; L465-C468 PolarHBondContact O-N 3.37Å; L465-C468 VanDerWaalsContact O-N 3.1Å; A466-C468 VanDerWaalsContact C-N 3.31Å; C468-G470 VanDerWaalsContact C-N 3.31Å; C468-G470 PolarHBondContact O-N 2.97Å; C468-C471 PolarHBondContact O-N 3.36Å; C468-C471 VanDerWaalsContact O-N 3.13Å; C468-L472 HydrophobicContact CB-CD1 4.37Å; C468-L472 WeakPolarHBondContact O-CG 3.24Å; C468-L472 PolarHBondContact O-N 3.47Å |
| 469 | I | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.6 | -38.8 | -170.9 | -171.9 | 60.7 | 0 | 0 | 0 | 113 | F447 L451 L465 C471 L472 A473 V519 L523 L535 L543 | F447-I469 HydrophobicContact CE1-CD1 4.36Å; L451-I469 HydrophobicContact CD2-CD1 4.35Å; L465-I469 WeakPolarHBondContact O-CB 3.48Å; L465-I469 PolarHBondContact O-N 2.93Å; I469-C471 PolarHBondContact O-N 2.7Å; I469-L472 PolarHBondContact O-N 2.91Å; I469-A473 WeakPolarHBondContact O-CB 3.26Å; I469-A473 PolarHBondContact O-N 3.34Å; I469-V519 HydrophobicContact CD1-CB 4.49Å; I469-V519 HydrophobicContact CD1-CG1 3.9Å; I469-V519 HydrophobicContact CG1-CG1 4.01Å; I469-L523 HydrophobicContact CG2-CD1 4.28Å; I469-L535 HydrophobicContact CG2-CD1 3.46Å; I469-L535 VanDerWaalsContact CG2-CD1 3.46Å; I469-L543 HydrophobicContact CG2-CD1 4.4Å |
| 470 | G | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C468 V474 S539 | C468-G470 VanDerWaalsContact C-N 3.31Å; C468-G470 PolarHBondContact O-N 2.97Å; G470-V474 WeakPolarHBondContact O-CG2 3.45Å; G470-V474 PolarHBondContact O-N 3.35Å; G470-S539 PolarHBondContact N-OG 3.13Å; G470-S539 VanDerWaalsContact N-OG 3.13Å |
| 471 | C | 95.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 19.2 Ų | 19.2 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | 176.4 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | T425 C468 I469 A473 V474 T475 L542 | T425-C471 HydrophobicContact CG2-CB 3.59Å; C468-C471 PolarHBondContact O-N 3.36Å; C468-C471 VanDerWaalsContact O-N 3.13Å; I469-C471 PolarHBondContact O-N 2.7Å; C471-A473 VanDerWaalsContact C-N 3.31Å; C471-A473 PolarHBondContact O-N 3.29Å; C471-V474 PolarHBondContact O-N 2.89Å; C471-T475 WeakPolarHBondContact O-CB 3.34Å; C471-T475 PolarHBondContact O-N 3.31Å; C471-T475 PolarHBondContact O-OG1 3.45Å; C471-L542 HydrophobicContact CB-CD1 4.07Å |
| 472 | L | 95.1 | Very high | 92 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | 177.2 | -70.4 | 171.4 | 0 | 0 | 0 | 111.7 | T425 F442 F447 C468 I469 T475 A476 | T425-L472 HydrophobicContact CG2-CD2 4.25Å; T425-L472 HydrophobicContact CG2-CG 4.16Å; T425-L472 WeakPolarHBondContact OG1-CD2 3.16Å; T425-L472 WeakPolarHBondContact OG1-CG 3.14Å; F442-L472 HydrophobicContact CE1-CD2 3.94Å; F447-L472 HydrophobicContact CE1-CB 4.04Å; F447-L472 HydrophobicContact CZ-CB 4.29Å; C468-L472 HydrophobicContact CB-CD1 4.37Å; C468-L472 WeakPolarHBondContact O-CG 3.24Å; C468-L472 PolarHBondContact O-N 3.47Å; I469-L472 PolarHBondContact O-N 2.91Å; L472-T475 PolarHBondContact O-N 3.25Å; L472-A476 VanDerWaalsContact O-CB 3.25Å; L472-A476 WeakPolarHBondContact O-CB 3.42Å; L472-A476 PolarHBondContact O-N 3.05Å |
| 473 | A | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I469 C471 T475 A476 K477 V516 L543 F546 | I469-A473 WeakPolarHBondContact O-CB 3.26Å; I469-A473 PolarHBondContact O-N 3.34Å; C471-A473 VanDerWaalsContact C-N 3.31Å; C471-A473 PolarHBondContact O-N 3.29Å; A473-T475 PolarHBondContact O-N 2.89Å; A473-A476 PolarHBondContact O-N 3.16Å; A473-K477 WeakPolarHBondContact O-CB 3.26Å; A473-K477 PolarHBondContact O-N 3.41Å; A473-V516 HydrophobicContact CB-CB 4.47Å; A473-V516 HydrophobicContact CB-CG1 3.73Å; A473-V516 HydrophobicContact CB-CG2 3.88Å; A473-L543 HydrophobicContact CB-CD2 4.47Å; A473-F546 HydrophobicContact CB-CB 4.33Å; A473-F546 HydrophobicContact CB-CD1 4.24Å; A473-F546 HydrophobicContact CB-CD2 3.72Å; A473-F546 HydrophobicContact CB-CE2 4.07Å; A473-F546 HydrophobicContact CB-CG 3.82Å; A473-F546 HydrophobicContact CB-CZ 4.49Å; A473-F546 VanDerWaalsContact O-CD2 3.32Å; A473-F546 WeakPolarHBondContact O-CD2 3.45Å; A473-F546 WeakPolarHBondContact O-CE2 3.38Å |
| 474 | V | 93.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 21.4 Ų | 21.4 | 21% | 0.206 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | G470 C471 S478 L542 F546 | G470-V474 WeakPolarHBondContact O-CG2 3.45Å; G470-V474 PolarHBondContact O-N 3.35Å; C471-V474 PolarHBondContact O-N 2.89Å; V474-S478 PolarHBondContact O-N 2.91Å; V474-L542 HydrophobicContact CG2-CB 4.07Å; V474-L542 HydrophobicContact CG2-CD2 4.48Å; V474-L542 WeakPolarHBondContact CG2-O 3.32Å; V474-F546 HydrophobicContact CG2-CB 4.19Å |
| 475 | T | 92.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 24.8 Ų | 24.8 | 10% | 0.104 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | M428 F442 C471 L472 A473 K477 S478 F479 | M428-T475 HydrophobicContact CB-CG2 4.36Å; M428-T475 WeakPolarHBondContact O-CG2 3.3Å; F442-T475 HydrophobicContact CE2-CG2 3.89Å; F442-T475 HydrophobicContact CZ-CG2 3.56Å; C471-T475 WeakPolarHBondContact O-CB 3.34Å; C471-T475 PolarHBondContact O-N 3.31Å; C471-T475 PolarHBondContact O-OG1 3.45Å; L472-T475 PolarHBondContact O-N 3.25Å; A473-T475 PolarHBondContact O-N 2.89Å; T475-K477 PolarHBondContact O-N 3Å; T475-S478 PolarHBondContact O-N 3.47Å; T475-F479 HydrophobicContact CG2-CD1 3.97Å; T475-F479 HydrophobicContact CG2-CE1 3.54Å; T475-F479 HydrophobicContact CG2-CZ 4.07Å; T475-F479 WeakPolarHBondContact O-CD1 3.33Å; T475-F479 PolarHBondContact O-N 3.05Å |
| 476 | A | 92 | Very high | 86.2 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F442 F447 L472 A473 S478 F479 L480 L512 | F442-A476 HydrophobicContact CB-CB 3.74Å; F442-A476 HydrophobicContact CD1-CB 3.69Å; F442-A476 HydrophobicContact CD2-CB 3.93Å; F442-A476 HydrophobicContact CE1-CB 4.22Å; F442-A476 HydrophobicContact CE2-CB 4.43Å; F442-A476 HydrophobicContact CG-CB 3.51Å; F447-A476 HydrophobicContact CE2-CB 3.95Å; F447-A476 HydrophobicContact CZ-CB 4.17Å; L472-A476 VanDerWaalsContact O-CB 3.25Å; L472-A476 WeakPolarHBondContact O-CB 3.42Å; L472-A476 PolarHBondContact O-N 3.05Å; A473-A476 PolarHBondContact O-N 3.16Å; A476-S478 PolarHBondContact O-N 2.7Å; A476-F479 PolarHBondContact O-N 2.95Å; A476-L480 PolarHBondContact O-N 2.95Å; A476-L512 HydrophobicContact CB-CD1 3.86Å; A476-L512 HydrophobicContact CB-CD2 3.87Å |
| 477 | K | 90.3 | Very high | 84.5 | Confident | 55 Ų | 55 | 30.1 Ų | 30.1 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 175.6 | -171.8 | 174.4 | -177.1 | 173.1 | 0 | 111.6 | A473 T475 F479 L480 E481 L509 L512 F546 | A473-K477 WeakPolarHBondContact O-CB 3.26Å; A473-K477 PolarHBondContact O-N 3.41Å; T475-K477 PolarHBondContact O-N 3Å; K477-F479 VanDerWaalsContact C-N 3.28Å; K477-F479 PolarHBondContact O-N 3.41Å; K477-L480 PolarHBondContact O-N 3.42Å; K477-E481 VanDerWaalsContact CE-OE1 3.26Å; K477-E481 WeakPolarHBondContact CE-OE1 3.08Å; K477-E481 HydrophobicContact CG-CG 4.48Å; K477-E481 WeakPolarHBondContact O-CG 3.18Å; K477-E481 PolarHBondContact O-N 3.35Å; K477-L509 HydrophobicContact CG-CD2 4.28Å; K477-L512 HydrophobicContact CB-CD2 4.32Å; K477-F546 HydrophobicContact CB-CD2 4Å; K477-F546 HydrophobicContact CB-CE2 3.97Å; K477-F546 HydrophobicContact CD-CD2 3.97Å; K477-F546 HydrophobicContact CD-CE2 4.24Å; K477-F546 PolarHBondContact NZ-O 3.38Å |
| 478 | S | 88.7 | Confident | 82.5 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -36.2 | 178.2 | -173.8 | 0 | 0 | 0 | 0 | 112.7 | V474 T475 A476 E481 Q482 | V474-S478 PolarHBondContact O-N 2.91Å; T475-S478 PolarHBondContact O-N 3.47Å; A476-S478 PolarHBondContact O-N 2.7Å; S478-E481 PolarHBondContact O-N 3.46Å; S478-Q482 WeakPolarHBondContact O-CB 3.49Å; S478-Q482 VanDerWaalsContact O-CG 3.26Å; S478-Q482 WeakPolarHBondContact O-CG 3.33Å; S478-Q482 PolarHBondContact O-N 2.96Å; S478-Q482 PolarHBondContact OG-NE2 3.47Å |
| 479 | F | 87.9 | Confident | 80.4 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 178.1 | -81.4 | 30.9 | 0 | 0 | 0 | 111.6 | M428 V431 V434 V441 F442 T475 A476 K477 Q482 A483 | M428-F479 HydrophobicContact CE-CD2 4.45Å; M428-F479 HydrophobicContact CE-CE2 3.46Å; M428-F479 VanDerWaalsContact CE-CE2 3.46Å; M428-F479 HydrophobicContact CE-CZ 3.79Å; V431-F479 HydrophobicContact CB-CE1 4.43Å; V431-F479 HydrophobicContact CB-CZ 3.81Å; V431-F479 HydrophobicContact CG1-CE1 4.32Å; V431-F479 HydrophobicContact CG1-CE2 4.35Å; V431-F479 HydrophobicContact CG1-CZ 3.63Å; V434-F479 HydrophobicContact CB-CD2 4.31Å; V434-F479 HydrophobicContact CB-CE2 4.47Å; V434-F479 HydrophobicContact CG1-CD2 4.02Å; V434-F479 HydrophobicContact CG1-CE2 4.27Å; V434-F479 HydrophobicContact CG2-CD1 3.76Å; V434-F479 HydrophobicContact CG2-CD2 3.51Å; V434-F479 HydrophobicContact CG2-CE1 3.64Å; V434-F479 HydrophobicContact CG2-CE2 3.37Å; V434-F479 HydrophobicContact CG2-CG 3.71Å; V434-F479 HydrophobicContact CG2-CZ 3.45Å; V434-F479 VanDerWaalsContact CG2-CZ 3.45Å; V441-F479 HydrophobicContact CG1-CD2 4.01Å; V441-F479 HydrophobicContact CG1-CE2 4.15Å; F442-F479 AromaticContact CD2-CD2 3.79Å; F442-F479 HydrophobicContact CD2-CD2 3.79Å; F442-F479 HydrophobicContact CD2-CE2 4.26Å; F442-F479 HydrophobicContact CD2-CG 4.22Å; F442-F479 HydrophobicContact CE2-CD1 4.34Å; F442-F479 AromaticContact CE2-CD2 3.53Å; F442-F479 HydrophobicContact CE2-CD2 3.53Å; F442-F479 HydrophobicContact CE2-CE1 4.42Å; F442-F479 AromaticContact CE2-CE2 3.63Å; F442-F479 HydrophobicContact CE2-CE2 3.63Å; F442-F479 AromaticContact CE2-CG 3.91Å; F442-F479 HydrophobicContact CE2-CG 3.91Å; F442-F479 HydrophobicContact CE2-CZ 4.07Å; T475-F479 HydrophobicContact CG2-CD1 3.97Å; T475-F479 HydrophobicContact CG2-CE1 3.54Å; T475-F479 HydrophobicContact CG2-CZ 4.07Å; T475-F479 WeakPolarHBondContact O-CD1 3.33Å; T475-F479 PolarHBondContact O-N 3.05Å; A476-F479 PolarHBondContact O-N 2.95Å; K477-F479 VanDerWaalsContact C-N 3.28Å; K477-F479 PolarHBondContact O-N 3.41Å; F479-Q482 PolarHBondContact O-N 3.38Å; F479-A483 PolarHBondContact O-N 3.36Å; F479-A483 VanDerWaalsContact O-N 3.11Å |
| 480 | L | 84.5 | Confident | 78.3 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.8 | -68.5 | 176.9 | 0 | 0 | 0 | 111.9 | A476 K477 A483 D484 H505 E508 L509 L512 | A476-L480 PolarHBondContact O-N 2.95Å; K477-L480 PolarHBondContact O-N 3.42Å; L480-A483 PolarHBondContact O-N 3.39Å; L480-D484 PolarHBondContact O-N 2.9Å; L480-H505 PolarHBondContact O-CE1 3.18Å; L480-E508 HydrophobicContact CD1-CB 4.49Å; L480-L509 HydrophobicContact CB-CD2 4.34Å; L480-L509 HydrophobicContact CD1-CD2 4.03Å; L480-L512 HydrophobicContact CD1-CB 4.31Å; L480-L512 HydrophobicContact CD1-CD2 3.69Å |
| 481 | E | 83.5 | Confident | 76.3 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.6 | -72 | 172.3 | 175.4 | 0 | 0 | 112.2 | K477 S478 A483 D484 V485 | K477-E481 VanDerWaalsContact CE-OE1 3.26Å; K477-E481 WeakPolarHBondContact CE-OE1 3.08Å; K477-E481 HydrophobicContact CG-CG 4.48Å; K477-E481 WeakPolarHBondContact O-CG 3.18Å; K477-E481 PolarHBondContact O-N 3.35Å; S478-E481 PolarHBondContact O-N 3.46Å; E481-A483 VanDerWaalsContact C-N 3.35Å; E481-D484 PolarHBondContact O-N 3Å; E481-V485 PolarHBondContact O-N 3.27Å |
| 482 | Q | 78.3 | Confident | 74.1 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 177 | -75.9 | -178.5 | 30.2 | 0 | 0 | 112.8 | K432 S478 F479 D484 V485 T486 | K432-Q482 PolarHBondContact O-NE2 3.11Å; K432-Q482 PolarHBondContact O-OE1 3.5Å; K432-Q482 VanDerWaalsContact O-OE1 3.1Å; S478-Q482 WeakPolarHBondContact O-CB 3.49Å; S478-Q482 VanDerWaalsContact O-CG 3.26Å; S478-Q482 WeakPolarHBondContact O-CG 3.33Å; S478-Q482 PolarHBondContact O-N 2.96Å; S478-Q482 PolarHBondContact OG-NE2 3.47Å; F479-Q482 PolarHBondContact O-N 3.38Å; Q482-D484 VanDerWaalsContact C-N 3.34Å; Q482-V485 PolarHBondContact O-N 2.93Å; Q482-T486 PolarHBondContact O-N 2.67Å; Q482-T486 PolarHBondContact O-OG1 3.35Å |
| 483 | A | 72.1 | Confident | 72 | Confident | 7 Ų | 7 | 58.7 Ų | 58.7 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A439 F479 L480 E481 V485 T486 L487 | A439-A483 HydrophobicContact CB-CB 3.24Å; F479-A483 PolarHBondContact O-N 3.36Å; F479-A483 VanDerWaalsContact O-N 3.11Å; L480-A483 PolarHBondContact O-N 3.39Å; E481-A483 VanDerWaalsContact C-N 3.35Å; A483-V485 VanDerWaalsContact C-N 3.35Å; A483-V485 PolarHBondContact O-N 2.66Å; A483-T486 WeakPolarHBondContact CA-OG1 3.37Å; A483-T486 PolarHBondContact O-N 3.47Å; A483-T486 VanDerWaalsContact O-N 3.16Å; A483-T486 PolarHBondContact O-OG1 3.45Å; A483-T486 VanDerWaalsContact O-OG1 3.08Å; A483-L487 WeakPolarHBondContact O-CB 3.2Å; A483-L487 VanDerWaalsContact O-CD1 3.23Å; A483-L487 WeakPolarHBondContact O-CD1 3.43Å; A483-L487 PolarHBondContact O-N 3.1Å |
| 484 | D | 67.3 | Low | 69.7 | Low | 67 Ų | 67 | 64.1 Ų | 64.1 | 36% | 0.358 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 177.1 | -162.3 | 32.5 | 0 | 0 | 0 | 111.4 | L480 E481 Q482 T486 L487 E488 | L480-D484 PolarHBondContact O-N 2.9Å; E481-D484 PolarHBondContact O-N 3Å; Q482-D484 VanDerWaalsContact C-N 3.34Å; D484-T486 VanDerWaalsContact C-N 3.3Å; D484-T486 PolarHBondContact O-N 3.2Å; D484-L487 PolarHBondContact O-N 2.93Å; D484-E488 PolarHBondContact O-N 3.45Å; D484-E488 VanDerWaalsContact O-N 3.16Å |
| 485 | V | 58.7 | Low | 67.6 | Low | 74 Ų | 74 | 65.8 Ų | 65.8 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -31.5 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | E481 Q482 A483 | E481-V485 PolarHBondContact O-N 3.27Å; Q482-V485 PolarHBondContact O-N 2.93Å; A483-V485 VanDerWaalsContact C-N 3.35Å; A483-V485 PolarHBondContact O-N 2.66Å |
| 486 | T | 59.4 | Low | 65.4 | Low | 60 Ų | 60 | 68.8 Ų | 68.8 | 37% | 0.368 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -78.3 | -37.1 | 176.9 | 20.6 | 0 | 0 | 0 | 0 | 111.9 | Q482 A483 D484 E488 K489 D490 | Q482-T486 PolarHBondContact O-N 2.67Å; Q482-T486 PolarHBondContact O-OG1 3.35Å; A483-T486 WeakPolarHBondContact CA-OG1 3.37Å; A483-T486 PolarHBondContact O-N 3.47Å; A483-T486 VanDerWaalsContact O-N 3.16Å; A483-T486 PolarHBondContact O-OG1 3.45Å; A483-T486 VanDerWaalsContact O-OG1 3.08Å; D484-T486 VanDerWaalsContact C-N 3.3Å; D484-T486 PolarHBondContact O-N 3.2Å; T486-E488 VanDerWaalsContact C-N 3.3Å; T486-E488 PolarHBondContact O-N 3.26Å; T486-K489 PolarHBondContact O-N 3.15Å; T486-K489 VanDerWaalsContact O-N 3.08Å; T486-D490 PolarHBondContact O-N 3.29Å |
| 487 | L | 59.3 | Low | 63.3 | Low | 51 Ų | 51 | 73.7 Ų | 73.7 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 173.2 | -96.5 | 120.8 | 0 | 0 | 0 | 112.2 | A436 A483 D484 K489 V493 | A436-L487 HydrophobicContact CB-CD1 4.4Å; A483-L487 WeakPolarHBondContact O-CB 3.2Å; A483-L487 VanDerWaalsContact O-CD1 3.23Å; A483-L487 WeakPolarHBondContact O-CD1 3.43Å; A483-L487 PolarHBondContact O-N 3.1Å; D484-L487 PolarHBondContact O-N 2.93Å; L487-K489 PolarHBondContact O-N 3.45Å; L487-V493 HydrophobicContact CD2-CG1 3.46Å; L487-V493 VanDerWaalsContact CD2-CG1 3.46Å; L487-V493 HydrophobicContact CG-CG1 4.04Å |
| 488 | E | 54.2 | Low | 61.2 | Low | 153 Ų | 153 | 79.8 Ų | 79.8 | 72% | 0.715 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20 | 176 | -73.2 | -167.8 | 153.5 | 0 | 0 | 114.1 | D484 T486 | D484-E488 PolarHBondContact O-N 3.45Å; D484-E488 VanDerWaalsContact O-N 3.16Å; T486-E488 VanDerWaalsContact C-N 3.3Å; T486-E488 PolarHBondContact O-N 3.26Å |
| 489 | K | 52.2 | Low | 59.2 | Low | 161 Ų | 161 | 84.9 Ų | 84.9 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -15.2 | -173.7 | -71.5 | 179.7 | -178.9 | 172.8 | 0 | 114.6 | T486 L487 P491 | T486-K489 PolarHBondContact O-N 3.15Å; T486-K489 VanDerWaalsContact O-N 3.08Å; L487-K489 PolarHBondContact O-N 3.45Å; K489-P491 VanDerWaalsContact O-CD 3.3Å; K489-P491 WeakPolarHBondContact O-CD 3.32Å |
| 490 | D | 51.2 | Low | 57 | Low | 68 Ų | 68 | 91.1 Ų | 91.1 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | trans | -94.8 | 108.5 | -174.1 | -162.3 | -22.4 | 0 | 0 | 0 | 112.2 | T486 H492 V493 M494 | T486-D490 PolarHBondContact O-N 3.29Å; D490-H492 PolarHBondContact O-N 2.7Å; D490-H492 IonicContact OD1-CD2 2.9Å; D490-H492 PolarHBondContact OD1-N 3.48Å; D490-H492 VanDerWaalsContact OD1-N 3.1Å; D490-V493 HydrophobicContact CB-CB 4.22Å; D490-V493 HydrophobicContact CB-CG2 3.82Å; D490-V493 PolarHBondContact O-N 3.18Å; D490-M494 PolarHBondContact O-N 2.88Å | ||
| 491 | P | 51.1 | Low | 55 | Low | 98 Ų | 98 | 96.2 Ų | 96.2 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -21.3 | -179.6 | 24.5 | -32.4 | 0 | 0 | 0 | 113.5 | K489 V493 | K489-P491 VanDerWaalsContact O-CD 3.3Å; K489-P491 WeakPolarHBondContact O-CD 3.32Å; P491-V493 VanDerWaalsContact C-N 3.34Å |
| 492 | H | 50.1 | Low | 53.4 | Low | 152 Ų | 152 | 99.7 Ų | 99.7 | 70% | 0.704 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.8 | -27.7 | 174.5 | -75 | -69.2 | 0 | 0 | 0 | 112.6 | D490 C496 | D490-H492 PolarHBondContact O-N 2.7Å; D490-H492 IonicContact OD1-CD2 2.9Å; D490-H492 PolarHBondContact OD1-N 3.48Å; D490-H492 VanDerWaalsContact OD1-N 3.1Å; H492-C496 PolarHBondContact O-N 3.05Å; H492-C496 PolarHBondContact O-SG 3Å |
| 493 | V | 50.2 | Low | 52.2 | Low | 35 Ų | 35 | 101.4 Ų | 101.4 | 21% | 0.212 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -79.6 | -32.4 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L487 D490 P491 A495 C496 Q497 | L487-V493 HydrophobicContact CD2-CG1 3.46Å; L487-V493 VanDerWaalsContact CD2-CG1 3.46Å; L487-V493 HydrophobicContact CG-CG1 4.04Å; D490-V493 HydrophobicContact CB-CB 4.22Å; D490-V493 HydrophobicContact CB-CG2 3.82Å; D490-V493 PolarHBondContact O-N 3.18Å; P491-V493 VanDerWaalsContact C-N 3.34Å; V493-A495 VanDerWaalsContact C-N 3.25Å; V493-A495 PolarHBondContact O-N 3Å; V493-C496 CarbonylContact O-C 3.46Å; V493-C496 WeakPolarHBondContact O-CA 3.46Å; V493-C496 PolarHBondContact O-N 3.24Å; V493-Q497 PolarHBondContact O-N 3.08Å |
| 494 | M | 47.3 | Very low | 51.9 | Low | 114 Ų | 114 | 104.4 Ų | 104.4 | 56% | 0.562 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.6 | -34.3 | 172.2 | -65.2 | -144 | 87.2 | 0 | 0 | 112.9 | D490 | D490-M494 PolarHBondContact O-N 2.88Å |
| 495 | A | 50 | Low | 52 | Low | 69 Ų | 69 | 103.4 Ų | 103.4 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.3 | -28.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V493 | V493-A495 VanDerWaalsContact C-N 3.25Å; V493-A495 PolarHBondContact O-N 3Å |
| 496 | C | 45.3 | Very low | 52.9 | Low | 80 Ų | 80 | 104.9 Ų | 104.9 | 54% | 0.541 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -80 | -19.8 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | H492 V493 E498 L499 N500 | H492-C496 PolarHBondContact O-N 3.05Å; H492-C496 PolarHBondContact O-SG 3Å; V493-C496 CarbonylContact O-C 3.46Å; V493-C496 WeakPolarHBondContact O-CA 3.46Å; V493-C496 PolarHBondContact O-N 3.24Å; C496-E498 PolarHBondContact O-N 2.93Å; C496-L499 PolarHBondContact O-N 3.12Å; C496-N500 PolarHBondContact O-N 3.43Å |
| 497 | Q | 47.1 | Very low | 53.8 | Low | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -22.1 | 174.1 | -82.1 | -178.9 | -21.3 | 0 | 0 | 113 | V493 L499 | V493-Q497 PolarHBondContact O-N 3.08Å; Q497-L499 PolarHBondContact O-N 2.88Å |
| 498 | E | 47.3 | Very low | 54.9 | Low | 183 Ų | 183 | 106.6 Ų | 106.6 | 86% | 0.855 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -15.2 | 173.2 | -71.6 | -167.6 | 166.4 | 0 | 0 | 113.7 | C496 | C496-E498 PolarHBondContact O-N 2.93Š|
| 499 | L | 46 | Very low | 56.3 | Low | 151 Ų | 151 | 100.4 Ų | 100.4 | 79% | 0.791 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -27.7 | -176.1 | -88.2 | 131.1 | 0 | 0 | 0 | 115.2 | C496 Q497 | C496-L499 PolarHBondContact O-N 3.12Å; Q497-L499 PolarHBondContact O-N 2.88Å |
| 500 | N | 42.6 | Very low | 57.9 | Low | 132 Ų | 132 | 95.8 Ų | 95.8 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | trans | -132.5 | 86.2 | 179.7 | -80.8 | -11.9 | 0 | 0 | 0 | 111.4 | C496 E502 | C496-N500 PolarHBondContact O-N 3.43Å; N500-E502 PolarHBondContact O-N 2.83Å; N500-E502 VanDerWaalsContact O-N 3.15Å | ||
| 501 | S | 43 | Very low | 59.6 | Low | 117 Ų | 117 | 96.4 Ų | 96.4 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 24.5 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 502 | E | 48 | Very low | 61.5 | Low | 162 Ų | 162 | 91.8 Ų | 91.8 | 76% | 0.757 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -8.9 | -166.4 | -80.1 | -165.8 | 158.7 | 0 | 0 | 116.5 | N500 D504 | N500-E502 PolarHBondContact O-N 2.83Å; N500-E502 VanDerWaalsContact O-N 3.15Å; E502-D504 VanDerWaalsContact C-N 3.29Å; E502-D504 PolarHBondContact O-N 2.81Å |
| 503 | V | 53.6 | Low | 63.4 | Low | 92 Ų | 92 | 85.6 Ų | 85.6 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | trans | -87.4 | 76.2 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | H505 | V503-H505 PolarHBondContact O-N 2.89Å; V503-H505 VanDerWaalsContact O-N 3.1Å | ||
| 504 | D | 65.2 | Low | 65.3 | Low | 70 Ų | 70 | 88.2 Ų | 88.2 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | trans | -71.9 | 98.8 | 166.7 | -171.8 | -13.1 | 0 | 0 | 0 | 107.7 | E502 Q506 K507 E508 | E502-D504 VanDerWaalsContact C-N 3.29Å; E502-D504 PolarHBondContact O-N 2.81Å; D504-Q506 PolarHBondContact O-N 2.78Å; D504-Q506 WeakPolarHBondContact OD1-CB 3.42Å; D504-Q506 PolarHBondContact OD1-N 3.16Å; D504-K507 HydrophobicContact CB-CB 4.05Å; D504-K507 HydrophobicContact CB-CD 3.73Å; D504-K507 HydrophobicContact CB-CG 3.77Å; D504-K507 WeakPolarHBondContact O-CB 3.44Å; D504-K507 PolarHBondContact O-N 2.77Å; D504-K507 WeakPolarHBondContact OD2-CE 3.34Å; D504-K507 WeakPolarHBondContact OD2-CG 3.3Å; D504-K507 IonicContact OD2-NZ 3.82Å; D504-E508 PolarHBondContact O-N 2.93Å | ||
| 505 | H | 70.3 | Confident | 67.3 | Low | 46 Ų | 46 | 85.2 Ų | 85.2 | 21% | 0.213 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -47.7 | -37.4 | 179.8 | 175.6 | 79 | 0 | 0 | 0 | 111.9 | L480 V503 E508 L509 | L480-H505 PolarHBondContact O-CE1 3.18Å; V503-H505 PolarHBondContact O-N 2.89Å; V503-H505 VanDerWaalsContact O-N 3.1Å; H505-E508 PolarHBondContact O-N 3.34Å; H505-L509 VanDerWaalsContact NE2-CD1 3.28Å; H505-L509 WeakPolarHBondContact NE2-CD1 3.37Å; H505-L509 PolarHBondContact O-N 2.84Å |
| 506 | Q | 76.9 | Confident | 69.3 | Low | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 178.6 | -170.4 | 60 | 52.3 | 0 | 0 | 112.6 | D504 E508 N510 | D504-Q506 PolarHBondContact O-N 2.78Å; D504-Q506 WeakPolarHBondContact OD1-CB 3.42Å; D504-Q506 PolarHBondContact OD1-N 3.16Å; Q506-E508 VanDerWaalsContact C-N 3.34Å; Q506-N510 PolarHBondContact NE2-OD1 2.96Å; Q506-N510 VanDerWaalsContact NE2-OD1 3.15Å; Q506-N510 PolarHBondContact O-N 3.31Å; Q506-N510 PolarHBondContact O-ND2 3.23Å; Q506-N510 PolarHBondContact O-OD1 3.09Å |
| 507 | K | 79.9 | Confident | 71.5 | Confident | 124 Ų | 124 | 81 Ų | 81 | 54% | 0.539 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.1 | -70.3 | -179.7 | -168.2 | 160.5 | 0 | 111.3 | D504 N510 I511 | D504-K507 HydrophobicContact CB-CB 4.05Å; D504-K507 HydrophobicContact CB-CD 3.73Å; D504-K507 HydrophobicContact CB-CG 3.77Å; D504-K507 WeakPolarHBondContact O-CB 3.44Å; D504-K507 PolarHBondContact O-N 2.77Å; D504-K507 WeakPolarHBondContact OD2-CE 3.34Å; D504-K507 WeakPolarHBondContact OD2-CG 3.3Å; D504-K507 IonicContact OD2-NZ 3.82Å; K507-N510 WeakPolarHBondContact O-CB 3.33Å; K507-N510 PolarHBondContact O-N 2.91Å; K507-I511 WeakPolarHBondContact O-CG1 3.33Å; K507-I511 PolarHBondContact O-N 2.92Å |
| 508 | E | 80.5 | Confident | 73.5 | Confident | 23 Ų | 23 | 80.9 Ų | 80.9 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 179.2 | -62.8 | -56 | 145.6 | 0 | 0 | 112.2 | R440 L480 D504 H505 Q506 N510 I511 L512 | R440-E508 IonicContact CZ-OE1 2.88Å; R440-E508 IonicContact CZ-OE2 3.05Å; R440-E508 IonicContact NE-OE2 3.52Å; R440-E508 IonicContact NH1-OE1 2.68Å; R440-E508 PolarHBondContact NH1-OE1 3.03Å; R440-E508 VanDerWaalsContact NH2-CG 3.26Å; R440-E508 IonicContact NH2-OE1 3.66Å; R440-E508 PolarHBondContact NH2-OE1 3.12Å; R440-E508 IonicContact NH2-OE2 3.66Å; L480-E508 HydrophobicContact CD1-CB 4.49Å; D504-E508 PolarHBondContact O-N 2.93Å; H505-E508 PolarHBondContact O-N 3.34Å; Q506-E508 VanDerWaalsContact C-N 3.34Å; E508-N510 VanDerWaalsContact C-N 3.29Å; E508-N510 PolarHBondContact O-N 2.62Å; E508-I511 PolarHBondContact O-N 3.3Å; E508-L512 WeakPolarHBondContact O-CB 3.36Å; E508-L512 PolarHBondContact O-N 2.75Å |
| 509 | L | 83.8 | Confident | 75.6 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 171.5 | -76.7 | 178.6 | 0 | 0 | 0 | 112 | K477 L480 H505 L512 D513 | K477-L509 HydrophobicContact CG-CD2 4.28Å; L480-L509 HydrophobicContact CB-CD2 4.34Å; L480-L509 HydrophobicContact CD1-CD2 4.03Å; H505-L509 VanDerWaalsContact NE2-CD1 3.28Å; H505-L509 WeakPolarHBondContact NE2-CD1 3.37Å; H505-L509 PolarHBondContact O-N 2.84Å; L509-L512 PolarHBondContact O-N 3.31Å; L509-D513 WeakPolarHBondContact O-CB 3.28Å; L509-D513 PolarHBondContact O-N 3.42Å |
| 510 | N | 86.9 | Confident | 77.8 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 35% | 0.348 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 176.9 | -65.5 | -17.4 | 0 | 0 | 0 | 111.8 | Q506 K507 E508 L512 D513 D514 | Q506-N510 PolarHBondContact NE2-OD1 2.96Å; Q506-N510 VanDerWaalsContact NE2-OD1 3.15Å; Q506-N510 PolarHBondContact O-N 3.31Å; Q506-N510 PolarHBondContact O-ND2 3.23Å; Q506-N510 PolarHBondContact O-OD1 3.09Å; K507-N510 WeakPolarHBondContact O-CB 3.33Å; K507-N510 PolarHBondContact O-N 2.91Å; E508-N510 VanDerWaalsContact C-N 3.29Å; E508-N510 PolarHBondContact O-N 2.62Å; N510-L512 VanDerWaalsContact C-N 3.31Å; N510-L512 PolarHBondContact O-N 3.15Å; N510-D513 PolarHBondContact O-N 3.44Å; N510-D514 VanDerWaalsContact O-CG 3.26Å; N510-D514 PolarHBondContact O-N 3.23Å |
| 511 | I | 87.6 | Confident | 80.1 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 42% | 0.415 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.3 | -67.1 | 164.5 | 0 | 0 | 0 | 110.5 | V443 K507 E508 L515 | V443-I511 HydrophobicContact CG1-CG2 4.16Å; K507-I511 WeakPolarHBondContact O-CG1 3.33Å; K507-I511 PolarHBondContact O-N 2.92Å; E508-I511 PolarHBondContact O-N 3.3Å; I511-L515 VanDerWaalsContact O-CB 3.31Å; I511-L515 WeakPolarHBondContact O-CB 3.4Å; I511-L515 PolarHBondContact O-N 2.81Å |
| 512 | L | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.3 | 177.9 | 61.2 | 0 | 0 | 0 | 111.7 | F447 A476 K477 L480 E508 L509 N510 L515 V516 F546 | F447-L512 HydrophobicContact CD2-CD1 4.19Å; F447-L512 HydrophobicContact CE2-CD1 3.42Å; F447-L512 VanDerWaalsContact CE2-CD1 3.42Å; F447-L512 HydrophobicContact CZ-CD1 4.24Å; A476-L512 HydrophobicContact CB-CD1 3.86Å; A476-L512 HydrophobicContact CB-CD2 3.87Å; K477-L512 HydrophobicContact CB-CD2 4.32Å; L480-L512 HydrophobicContact CD1-CB 4.31Å; L480-L512 HydrophobicContact CD1-CD2 3.69Å; E508-L512 WeakPolarHBondContact O-CB 3.36Å; E508-L512 PolarHBondContact O-N 2.75Å; L509-L512 PolarHBondContact O-N 3.31Å; N510-L512 VanDerWaalsContact C-N 3.31Å; N510-L512 PolarHBondContact O-N 3.15Å; L512-L515 PolarHBondContact O-N 3.14Å; L512-V516 HydrophobicContact CD1-CG2 4Å; L512-V516 VanDerWaalsContact O-CG2 3.31Å; L512-V516 WeakPolarHBondContact O-CG2 3.26Å; L512-V516 PolarHBondContact O-N 2.86Å; L512-F546 HydrophobicContact CD2-CE2 3.93Å; L512-F546 HydrophobicContact CD2-CZ 4.33Å; L512-F546 HydrophobicContact CG-CE2 4.02Å; L512-F546 HydrophobicContact CG-CZ 3.92Å |
| 513 | D | 90 | Very high | 84.5 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 177.6 | -86.4 | -8.3 | 0 | 0 | 0 | 111.7 | L509 N510 L515 V516 Q517 F546 K551 | L509-D513 WeakPolarHBondContact O-CB 3.28Å; L509-D513 PolarHBondContact O-N 3.42Å; N510-D513 PolarHBondContact O-N 3.44Å; D513-L515 VanDerWaalsContact C-N 3.33Å; D513-L515 PolarHBondContact O-N 2.86Å; D513-V516 PolarHBondContact O-N 3.26Å; D513-Q517 VanDerWaalsContact O-CB 3.22Å; D513-Q517 WeakPolarHBondContact O-CB 3.28Å; D513-Q517 PolarHBondContact O-N 2.94Å; D513-F546 WeakPolarHBondContact OD1-CE1 3.32Å; D513-F546 WeakPolarHBondContact OD1-CZ 3.4Å; D513-K551 IonicContact OD2-NZ 2.9Å; D513-K551 PolarHBondContact OD2-NZ 3.44Å |
| 514 | D | 90.2 | Very high | 86.3 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | -179.9 | -69.3 | -16.5 | 0 | 0 | 0 | 110.6 | N510 Q517 D518 | N510-D514 VanDerWaalsContact O-CG 3.26Å; N510-D514 PolarHBondContact O-N 3.23Å; D514-Q517 PolarHBondContact O-N 2.65Å; D514-D518 PolarHBondContact O-N 2.87Å |
| 515 | L | 89.3 | Confident | 87.4 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -50 | 178.8 | -170.3 | 68.7 | 0 | 0 | 0 | 111.9 | F447 L451 I511 L512 D513 Q517 D518 V519 | F447-L515 HydrophobicContact CB-CD2 3.6Å; F447-L515 HydrophobicContact CD2-CD2 3.63Å; F447-L515 HydrophobicContact CE2-CD2 4.49Å; F447-L515 HydrophobicContact CG-CD2 3.76Å; L451-L515 HydrophobicContact CD1-CD1 3.48Å; L451-L515 VanDerWaalsContact CD1-CD1 3.48Å; L451-L515 HydrophobicContact CD1-CD2 3.59Å; L451-L515 HydrophobicContact CD1-CG 3.39Å; I511-L515 VanDerWaalsContact O-CB 3.31Å; I511-L515 WeakPolarHBondContact O-CB 3.4Å; I511-L515 PolarHBondContact O-N 2.81Å; L512-L515 PolarHBondContact O-N 3.14Å; D513-L515 VanDerWaalsContact C-N 3.33Å; D513-L515 PolarHBondContact O-N 2.86Å; L515-Q517 VanDerWaalsContact C-N 3.29Å; L515-Q517 PolarHBondContact O-N 3.02Å; L515-D518 PolarHBondContact O-N 2.69Å; L515-V519 VanDerWaalsContact O-CG2 3.23Å; L515-V519 WeakPolarHBondContact O-CG2 3.22Å; L515-V519 PolarHBondContact O-N 3.35Å |
| 516 | V | 91.7 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | -179.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | F447 A473 L512 D513 T520 L543 F546 F547 | F447-V516 HydrophobicContact CZ-CG2 4.39Å; A473-V516 HydrophobicContact CB-CB 4.47Å; A473-V516 HydrophobicContact CB-CG1 3.73Å; A473-V516 HydrophobicContact CB-CG2 3.88Å; L512-V516 HydrophobicContact CD1-CG2 4Å; L512-V516 VanDerWaalsContact O-CG2 3.31Å; L512-V516 WeakPolarHBondContact O-CG2 3.26Å; L512-V516 PolarHBondContact O-N 2.86Å; D513-V516 PolarHBondContact O-N 3.26Å; V516-T520 VanDerWaalsContact O-CB 3.26Å; V516-T520 WeakPolarHBondContact O-CB 3.19Å; V516-T520 PolarHBondContact O-N 2.58Å; V516-T520 PolarHBondContact O-OG1 3.16Å; V516-L543 HydrophobicContact CG1-CD2 3.91Å; V516-F546 HydrophobicContact CB-CD1 4.41Å; V516-F546 HydrophobicContact CB-CE1 3.66Å; V516-F546 HydrophobicContact CB-CZ 3.98Å; V516-F546 HydrophobicContact CG1-CD1 3.92Å; V516-F546 HydrophobicContact CG1-CE1 3.67Å; V516-F546 HydrophobicContact CG1-CZ 4.31Å; V516-F546 HydrophobicContact CG2-CE1 4.06Å; V516-F546 HydrophobicContact CG2-CZ 3.87Å; V516-F547 HydrophobicContact CB-CZ 4.37Å; V516-F547 HydrophobicContact CG1-CE1 4.47Å; V516-F547 HydrophobicContact CG1-CE2 4.4Å; V516-F547 HydrophobicContact CG1-CZ 3.83Å |
| 517 | Q | 91.9 | Very high | 88.8 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -52.7 | 174.9 | 173.7 | 173.4 | -36.5 | 0 | 0 | 111.5 | D513 D514 L515 V519 T520 V521 F547 V555 | D513-Q517 VanDerWaalsContact O-CB 3.22Å; D513-Q517 WeakPolarHBondContact O-CB 3.28Å; D513-Q517 PolarHBondContact O-N 2.94Å; D514-Q517 PolarHBondContact O-N 2.65Å; L515-Q517 VanDerWaalsContact C-N 3.29Å; L515-Q517 PolarHBondContact O-N 3.02Å; Q517-V519 VanDerWaalsContact C-N 3.28Å; Q517-V519 PolarHBondContact O-N 3.29Å; Q517-T520 PolarHBondContact O-N 2.8Å; Q517-T520 VanDerWaalsContact O-N 3.16Å; Q517-V521 HydrophobicContact CG-CG2 4.37Å; Q517-V521 WeakPolarHBondContact O-CB 3.49Å; Q517-V521 WeakPolarHBondContact O-CG2 3.37Å; Q517-V521 PolarHBondContact O-N 2.89Å; Q517-F547 HydrophobicContact CB-CE1 3.99Å; Q517-F547 HydrophobicContact CB-CZ 4.07Å; Q517-V555 HydrophobicContact CG-CG1 3.89Å; Q517-V555 HydrophobicContact CG-CG2 4.12Å |
| 518 | D | 90.4 | Very high | 89.1 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.5 | -43.2 | -178.7 | -75.5 | -12.5 | 0 | 0 | 0 | 111.9 | D514 L515 T522 | D514-D518 PolarHBondContact O-N 2.87Å; L515-D518 PolarHBondContact O-N 2.69Å; D518-T522 WeakPolarHBondContact O-CB 3.48Å; D518-T522 PolarHBondContact O-N 3.04Å; D518-T522 PolarHBondContact O-OG1 2.89Å |
| 519 | V | 91 | Very high | 89.3 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.2 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | L451 I454 I469 L515 Q517 T522 L523 | L451-V519 HydrophobicContact CB-CG2 4.47Å; L451-V519 HydrophobicContact CD1-CG2 3.66Å; L451-V519 HydrophobicContact CD2-CB 4.43Å; L451-V519 HydrophobicContact CD2-CG1 4.09Å; L451-V519 HydrophobicContact CD2-CG2 3.61Å; L451-V519 HydrophobicContact CG-CG2 4.08Å; I454-V519 HydrophobicContact CD1-CB 3.9Å; I454-V519 HydrophobicContact CD1-CG1 3.56Å; I454-V519 HydrophobicContact CD1-CG2 3.45Å; I454-V519 VanDerWaalsContact CD1-CG2 3.45Å; I454-V519 HydrophobicContact CG1-CG1 3.98Å; I469-V519 HydrophobicContact CD1-CB 4.49Å; I469-V519 HydrophobicContact CD1-CG1 3.9Å; I469-V519 HydrophobicContact CG1-CG1 4.01Å; L515-V519 VanDerWaalsContact O-CG2 3.23Å; L515-V519 WeakPolarHBondContact O-CG2 3.22Å; L515-V519 PolarHBondContact O-N 3.35Å; Q517-V519 VanDerWaalsContact C-N 3.28Å; Q517-V519 PolarHBondContact O-N 3.29Å; V519-T522 PolarHBondContact O-N 3.04Å; V519-L523 HydrophobicContact CG1-CD1 3.95Å; V519-L523 HydrophobicContact CG1-CG 4.47Å; V519-L523 WeakPolarHBondContact O-CG 3.2Å; V519-L523 PolarHBondContact O-N 3.01Å |
| 520 | T | 91.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | -178.2 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | V516 Q517 L523 L524 L543 L556 | V516-T520 VanDerWaalsContact O-CB 3.26Å; V516-T520 WeakPolarHBondContact O-CB 3.19Å; V516-T520 PolarHBondContact O-N 2.58Å; V516-T520 PolarHBondContact O-OG1 3.16Å; Q517-T520 PolarHBondContact O-N 2.8Å; Q517-T520 VanDerWaalsContact O-N 3.16Å; T520-L523 PolarHBondContact O-N 2.84Å; T520-L524 HydrophobicContact CG2-CD1 4.1Å; T520-L524 WeakPolarHBondContact O-CB 3.33Å; T520-L524 WeakPolarHBondContact O-CG 3.17Å; T520-L524 PolarHBondContact O-N 2.84Å; T520-L543 HydrophobicContact CG2-CD1 3.77Å; T520-L556 HydrophobicContact CG2-CD2 3.56Å |
| 521 | V | 91.5 | Very high | 89.6 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 176 | 170 | 0 | 0 | 0 | 0 | 110.4 | Q517 L523 L524 C525 V555 H559 | Q517-V521 HydrophobicContact CG-CG2 4.37Å; Q517-V521 WeakPolarHBondContact O-CB 3.49Å; Q517-V521 WeakPolarHBondContact O-CG2 3.37Å; Q517-V521 PolarHBondContact O-N 2.89Å; V521-L523 VanDerWaalsContact C-N 3.32Å; V521-L523 PolarHBondContact O-N 3.04Å; V521-L524 PolarHBondContact O-N 3.36Å; V521-C525 WeakPolarHBondContact O-CB 3.34Å; V521-C525 PolarHBondContact O-N 3.4Å; V521-C525 PolarHBondContact O-SG 3.43Å; V521-V555 HydrophobicContact CG2-CG1 4Å; V521-H559 WeakPolarHBondContact CG1-NE2 3.11Å |
| 522 | T | 91.6 | Very high | 89.7 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.8 | -42 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | I454 D518 V519 C525 D526 | I454-T522 HydrophobicContact CG2-CG2 3.44Å; I454-T522 VanDerWaalsContact CG2-CG2 3.44Å; D518-T522 WeakPolarHBondContact O-CB 3.48Å; D518-T522 PolarHBondContact O-N 3.04Å; D518-T522 PolarHBondContact O-OG1 2.89Å; V519-T522 PolarHBondContact O-N 3.04Å; T522-C525 CarbonylContact O-C 3.54Å; T522-C525 PolarHBondContact O-N 2.79Å; T522-D526 PolarHBondContact O-N 3.48Å |
| 523 | L | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.5 | -33.2 | 177.9 | -67.7 | 172.3 | 0 | 0 | 0 | 113.1 | I454 L465 A466 I469 V519 T520 V521 C525 D526 V531 L535 | I454-L523 HydrophobicContact CG2-CD2 4.38Å; L465-L523 HydrophobicContact CG-CD1 4.42Å; A466-L523 HydrophobicContact CB-CD1 4.31Å; I469-L523 HydrophobicContact CG2-CD1 4.28Å; V519-L523 HydrophobicContact CG1-CD1 3.95Å; V519-L523 HydrophobicContact CG1-CG 4.47Å; V519-L523 WeakPolarHBondContact O-CG 3.2Å; V519-L523 PolarHBondContact O-N 3.01Å; T520-L523 PolarHBondContact O-N 2.84Å; V521-L523 VanDerWaalsContact C-N 3.32Å; V521-L523 PolarHBondContact O-N 3.04Å; L523-C525 VanDerWaalsContact C-N 3.26Å; L523-C525 PolarHBondContact O-N 3.34Å; L523-D526 WeakPolarHBondContact O-CB 3.39Å; L523-D526 PolarHBondContact O-N 3.46Å; L523-V531 HydrophobicContact CB-CG1 4.49Å; L523-V531 HydrophobicContact CD2-CG1 3.77Å; L523-L535 HydrophobicContact CB-CD1 4.41Å; L523-L535 HydrophobicContact CB-CD2 3.79Å; L523-L535 HydrophobicContact CD1-CD1 4.14Å |
| 524 | L | 90.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -31 | 172.2 | -77.1 | 170.6 | 0 | 0 | 0 | 111.9 | T520 V521 R532 L535 L556 H559 I560 F563 | T520-L524 HydrophobicContact CG2-CD1 4.1Å; T520-L524 WeakPolarHBondContact O-CB 3.33Å; T520-L524 WeakPolarHBondContact O-CG 3.17Å; T520-L524 PolarHBondContact O-N 2.84Å; V521-L524 PolarHBondContact O-N 3.36Å; L524-R532 WeakPolarHBondContact O-CD 3.28Å; L524-R532 WeakPolarHBondContact O-CG 2.98Å; L524-R532 PolarHBondContact O-NE 3.48Å; L524-R532 VanDerWaalsContact O-NE 3.12Å; L524-L535 HydrophobicContact CB-CD2 4.47Å; L524-L535 HydrophobicContact CD2-CD2 3.69Å; L524-L535 HydrophobicContact CG-CD2 3.61Å; L524-L556 HydrophobicContact CD1-CD2 4.35Å; L524-H559 HydrophobicContact CD1-CB 3.89Å; L524-I560 HydrophobicContact CD1-CG1 4.44Å; L524-I560 HydrophobicContact CD2-CD1 4.43Å; L524-I560 HydrophobicContact CD2-CG1 3.89Å; L524-F563 HydrophobicContact CD2-CE2 4.5Å; L524-F563 HydrophobicContact CD2-CZ 3.82Å |
| 525 | C | 89.9 | Confident | 89.8 | Confident | 70 Ų | 70 | 42.6 Ų | 42.6 | 47% | 0.473 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -91.2 | -3.6 | 177.3 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | V521 T522 L523 R532 | V521-C525 WeakPolarHBondContact O-CB 3.34Å; V521-C525 PolarHBondContact O-N 3.4Å; V521-C525 PolarHBondContact O-SG 3.43Å; T522-C525 CarbonylContact O-C 3.54Å; T522-C525 PolarHBondContact O-N 2.79Å; L523-C525 VanDerWaalsContact C-N 3.26Å; L523-C525 PolarHBondContact O-N 3.34Å; C525-R532 PolarHBondContact O-NH2 2.93Å |
| 526 | D | 90 | Very high | 89.7 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | trans | -58.4 | 136.8 | -174.8 | -172.1 | -85.1 | 0 | 0 | 0 | 111.9 | K462 T522 L523 N528 V531 R532 | K462-D526 WeakPolarHBondContact CD-OD2 3.48Å; K462-D526 IonicContact NZ-OD2 2.7Å; K462-D526 PolarHBondContact NZ-OD2 3.32Å; T522-D526 PolarHBondContact O-N 3.48Å; L523-D526 WeakPolarHBondContact O-CB 3.39Å; L523-D526 PolarHBondContact O-N 3.46Å; D526-N528 PolarHBondContact O-N 2.81Å; D526-N528 VanDerWaalsContact O-N 3.11Å; D526-N528 WeakPolarHBondContact OD1-CB 3.48Å; D526-N528 PolarHBondContact OD1-N 3.01Å; D526-V531 HydrophobicContact CB-CB 4.27Å; D526-V531 HydrophobicContact CB-CG1 4Å; D526-R532 PolarHBondContact O-NE 2.75Å; D526-R532 PolarHBondContact O-NH2 3.4Å | ||
| 527 | P | 85 | Confident | 89.4 | Confident | 120 Ų | 120 | 44.2 Ų | 44.2 | 78% | 0.779 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -62.1 | -21.1 | -177.2 | 24.7 | -36 | 0 | 0 | 0 | 113.9 | L529 | P527-L529 PolarHBondContact O-N 3.47Š|
| 528 | N | 86.1 | Confident | 89.3 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -83.5 | 110.9 | 178.9 | -172.2 | -20.8 | 0 | 0 | 0 | 111.2 | D526 Y530 V531 R532 | D526-N528 PolarHBondContact O-N 2.81Å; D526-N528 VanDerWaalsContact O-N 3.11Å; D526-N528 WeakPolarHBondContact OD1-CB 3.48Å; D526-N528 PolarHBondContact OD1-N 3.01Å; N528-Y530 PolarHBondContact O-N 2.76Å; N528-Y530 VanDerWaalsContact O-N 3.08Å; N528-Y530 WeakPolarHBondContact OD1-CB 3.08Å; N528-Y530 WeakPolarHBondContact OD1-CD2 3.21Å; N528-Y530 PolarHBondContact OD1-N 2.9Å; N528-V531 HydrophobicContact CB-CB 4.35Å; N528-V531 HydrophobicContact CB-CG2 3.83Å; N528-V531 WeakPolarHBondContact O-CB 3.41Å; N528-V531 PolarHBondContact O-N 2.8Å; N528-R532 PolarHBondContact O-N 3.14Å | ||
| 529 | L | 85.1 | Confident | 89.4 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -47.5 | -39.2 | 174.9 | -179.8 | 72.6 | 0 | 0 | 0 | 113.2 | P527 V531 R532 K533 R571 L572 | P527-L529 PolarHBondContact O-N 3.47Å; L529-V531 VanDerWaalsContact C-N 3.33Å; L529-V531 PolarHBondContact O-N 3.1Å; L529-R532 PolarHBondContact O-N 3.39Å; L529-K533 WeakPolarHBondContact O-CB 3.34Å; L529-K533 PolarHBondContact O-N 3.49Å; L529-R571 HydrophobicContact CD1-CB 4.46Å; L529-R571 HydrophobicContact CD2-CB 3.94Å; L529-L572 HydrophobicContact CD1-CD1 4.3Å; L529-L572 HydrophobicContact CD1-CD2 3.34Å; L529-L572 HydrophobicContact CD1-CG 3.44Å; L529-L572 VanDerWaalsContact CD1-CG 3.44Å |
| 530 | Y | 87 | Confident | 89.4 | Confident | 150 Ų | 150 | 40.8 Ų | 40.8 | 59% | 0.588 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68.6 | -33 | -177.4 | -63.3 | -78.5 | 0 | 0 | 0 | 112.1 | L463 N528 K533 V534 | L463-Y530 VanDerWaalsContact CD2-O 3.3Å; L463-Y530 WeakPolarHBondContact CD2-O 3.16Å; N528-Y530 PolarHBondContact O-N 2.76Å; N528-Y530 VanDerWaalsContact O-N 3.08Å; N528-Y530 WeakPolarHBondContact OD1-CB 3.08Å; N528-Y530 WeakPolarHBondContact OD1-CD2 3.21Å; N528-Y530 PolarHBondContact OD1-N 2.9Å; Y530-K533 PolarHBondContact O-N 3.06Å; Y530-V534 WeakPolarHBondContact O-CB 3.23Å; Y530-V534 WeakPolarHBondContact O-CG2 3.32Å; Y530-V534 PolarHBondContact O-N 2.99Å |
| 531 | V | 89.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -48.9 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | K462 L463 A466 L523 D526 N528 L529 K533 V534 L535 | K462-V531 HydrophobicContact CB-CG1 4.35Å; K462-V531 HydrophobicContact CB-CG2 3.76Å; L463-V531 HydrophobicContact CD2-CG2 4.04Å; L463-V531 HydrophobicContact CG-CG2 4.08Å; A466-V531 HydrophobicContact CB-CG1 4Å; L523-V531 HydrophobicContact CB-CG1 4.49Å; L523-V531 HydrophobicContact CD2-CG1 3.77Å; D526-V531 HydrophobicContact CB-CB 4.27Å; D526-V531 HydrophobicContact CB-CG1 4Å; N528-V531 HydrophobicContact CB-CB 4.35Å; N528-V531 HydrophobicContact CB-CG2 3.83Å; N528-V531 WeakPolarHBondContact O-CB 3.41Å; N528-V531 PolarHBondContact O-N 2.8Å; L529-V531 VanDerWaalsContact C-N 3.33Å; L529-V531 PolarHBondContact O-N 3.1Å; V531-K533 VanDerWaalsContact C-N 3.31Å; V531-K533 PolarHBondContact O-N 3.34Å; V531-V534 PolarHBondContact O-N 3.11Å; V531-L535 WeakPolarHBondContact O-CB 3.48Å; V531-L535 PolarHBondContact O-N 3.11Å |
| 532 | R | 89.7 | Confident | 89.5 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 174.7 | -58.3 | -177.4 | -171.3 | 174.6 | 2 | 111.5 | L524 C525 D526 N528 L529 L535 V536 F563 | L524-R532 WeakPolarHBondContact O-CD 3.28Å; L524-R532 WeakPolarHBondContact O-CG 2.98Å; L524-R532 PolarHBondContact O-NE 3.48Å; L524-R532 VanDerWaalsContact O-NE 3.12Å; C525-R532 PolarHBondContact O-NH2 2.93Å; D526-R532 PolarHBondContact O-NE 2.75Å; D526-R532 PolarHBondContact O-NH2 3.4Å; N528-R532 PolarHBondContact O-N 3.14Å; L529-R532 PolarHBondContact O-N 3.39Å; R532-L535 PolarHBondContact O-N 3.2Å; R532-V536 WeakPolarHBondContact O-CG2 3.48Å; R532-V536 PolarHBondContact O-N 2.99Å; R532-F563 HydrophobicContact CB-CZ 4.28Å |
| 533 | K | 87.9 | Confident | 89.5 | Confident | 80 Ų | 80 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62 | -48.3 | 179.1 | -177 | 177.2 | 177.6 | -178.5 | 0 | 112.3 | L529 Y530 V531 V536 Q537 L575 | L529-K533 WeakPolarHBondContact O-CB 3.34Å; L529-K533 PolarHBondContact O-N 3.49Å; Y530-K533 PolarHBondContact O-N 3.06Å; V531-K533 VanDerWaalsContact C-N 3.31Å; V531-K533 PolarHBondContact O-N 3.34Å; K533-V536 PolarHBondContact O-N 3.35Å; K533-Q537 VanDerWaalsContact CE-NE2 3.34Å; K533-Q537 HydrophobicContact CG-CG 4.34Å; K533-Q537 WeakPolarHBondContact O-CB 3.47Å; K533-Q537 VanDerWaalsContact O-CG 3.28Å; K533-Q537 WeakPolarHBondContact O-CG 3.42Å; K533-Q537 PolarHBondContact O-N 3.44Å; K533-L575 HydrophobicContact CB-CD1 4.47Å; K533-L575 HydrophobicContact CB-CD2 4.15Å; K533-L575 HydrophobicContact CG-CD1 4.07Å |
| 534 | V | 91.3 | Very high | 89.5 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 179.2 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | L463 A466 Y530 V531 V536 Q537 D538 | L463-V534 HydrophobicContact CD2-CB 4.09Å; L463-V534 HydrophobicContact CD2-CG2 3.66Å; A466-V534 HydrophobicContact CB-CG1 4.27Å; Y530-V534 WeakPolarHBondContact O-CB 3.23Å; Y530-V534 WeakPolarHBondContact O-CG2 3.32Å; Y530-V534 PolarHBondContact O-N 2.99Å; V531-V534 PolarHBondContact O-N 3.11Å; V534-V536 VanDerWaalsContact C-N 3.29Å; V534-V536 PolarHBondContact O-N 2.86Å; V534-Q537 PolarHBondContact O-N 2.94Å; V534-D538 WeakPolarHBondContact O-CB 3.32Å; V534-D538 PolarHBondContact O-N 3.46Å |
| 535 | L | 92 | Very high | 89.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -55.8 | -46.1 | 174.6 | -173.8 | 71.8 | 0 | 0 | 0 | 111.5 | A466 I469 L523 L524 V531 R532 S539 L540 L543 | A466-L535 HydrophobicContact CB-CB 4.04Å; A466-L535 HydrophobicContact CB-CD1 4.31Å; I469-L535 HydrophobicContact CG2-CD1 3.46Å; I469-L535 VanDerWaalsContact CG2-CD1 3.46Å; L523-L535 HydrophobicContact CB-CD1 4.41Å; L523-L535 HydrophobicContact CB-CD2 3.79Å; L523-L535 HydrophobicContact CD1-CD1 4.14Å; L524-L535 HydrophobicContact CB-CD2 4.47Å; L524-L535 HydrophobicContact CD2-CD2 3.69Å; L524-L535 HydrophobicContact CG-CD2 3.61Å; V531-L535 WeakPolarHBondContact O-CB 3.48Å; V531-L535 PolarHBondContact O-N 3.11Å; R532-L535 PolarHBondContact O-N 3.2Å; L535-S539 CarbonylContact O-C 3.56Å; L535-S539 WeakPolarHBondContact O-CA 3.34Å; L535-S539 WeakPolarHBondContact O-CB 3.49Å; L535-S539 PolarHBondContact O-N 3.49Å; L535-L540 PolarHBondContact O-N 3.48Å; L535-L543 HydrophobicContact CD1-CD1 4.04Å |
| 536 | V | 87.7 | Confident | 89.6 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -65.6 | -41.9 | 177.6 | 163.4 | 0 | 0 | 0 | 0 | 112.5 | R532 K533 V534 L540 F563 L575 C579 K582 | R532-V536 WeakPolarHBondContact O-CG2 3.48Å; R532-V536 PolarHBondContact O-N 2.99Å; K533-V536 PolarHBondContact O-N 3.35Å; V534-V536 VanDerWaalsContact C-N 3.29Å; V534-V536 PolarHBondContact O-N 2.86Å; V536-L540 HydrophobicContact CG1-CD2 4.24Å; V536-L540 VanDerWaalsContact O-CB 3.28Å; V536-L540 WeakPolarHBondContact O-CB 3.26Å; V536-F563 HydrophobicContact CG2-CE2 4.3Å; V536-L575 HydrophobicContact CB-CD1 4.16Å; V536-L575 HydrophobicContact CB-CD2 4.46Å; V536-L575 HydrophobicContact CB-CG 4.45Å; V536-L575 HydrophobicContact CG1-CD1 3.75Å; V536-L575 HydrophobicContact CG1-CG 4.23Å; V536-L575 HydrophobicContact CG2-CD2 4.2Å; V536-L575 HydrophobicContact CG2-CG 4.39Å; V536-C579 HydrophobicContact CG1-CB 4.37Å; V536-C579 WeakPolarHBondContact CG1-SG 3.08Å; V536-C579 VanDerWaalsContact CG2-SG 3.56Å; V536-K582 PolarHBondContact O-NZ 3.48Å |
| 537 | Q | 86 | Confident | 89.6 | Confident | 83 Ų | 83 | 51 Ų | 51 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -72.2 | -45.9 | -175.2 | -75.4 | -175.6 | -36.3 | 0 | 0 | 111.6 | K533 V534 K582 | K533-Q537 VanDerWaalsContact CE-NE2 3.34Å; K533-Q537 HydrophobicContact CG-CG 4.34Å; K533-Q537 WeakPolarHBondContact O-CB 3.47Å; K533-Q537 VanDerWaalsContact O-CG 3.28Å; K533-Q537 WeakPolarHBondContact O-CG 3.42Å; K533-Q537 PolarHBondContact O-N 3.44Å; V534-Q537 PolarHBondContact O-N 2.94Å; Q537-K582 PolarHBondContact O-NZ 2.98Å |
| 538 | D | 88.9 | Confident | 89.7 | Confident | 90 Ų | 90 | 46.4 Ų | 46.4 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -103.7 | -36 | -166.3 | -61.9 | -8.4 | 0 | 0 | 0 | 112.7 | V534 | V534-D538 WeakPolarHBondContact O-CB 3.32Å; V534-D538 PolarHBondContact O-N 3.46Å |
| 539 | S | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -106 | -22.9 | -171.1 | -72.9 | 0 | 0 | 0 | 0 | 114.7 | A466 S467 G470 L535 E541 L542 L543 | A466-S539 WeakPolarHBondContact O-CB 3.48Å; A466-S539 PolarHBondContact O-OG 3.42Å; S467-S539 PolarHBondContact O-OG 2.96Å; G470-S539 PolarHBondContact N-OG 3.13Å; G470-S539 VanDerWaalsContact N-OG 3.13Å; L535-S539 CarbonylContact O-C 3.56Å; L535-S539 WeakPolarHBondContact O-CA 3.34Å; L535-S539 WeakPolarHBondContact O-CB 3.49Å; L535-S539 PolarHBondContact O-N 3.49Å; S539-E541 PolarHBondContact O-N 2.68Å; S539-L542 PolarHBondContact O-N 2.88Å; S539-L542 VanDerWaalsContact O-N 3.13Å; S539-L543 VanDerWaalsContact O-CG 3.31Å; S539-L543 WeakPolarHBondContact O-CG 3.27Å; S539-L543 PolarHBondContact O-N 3.19Å |
| 540 | L | 92.2 | Very high | 89.4 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -44.6 | -169.4 | -176.9 | 60.8 | 0 | 0 | 0 | 114.2 | L535 V536 L542 L543 C544 L556 I560 C579 K582 L583 | L535-L540 PolarHBondContact O-N 3.48Å; V536-L540 HydrophobicContact CG1-CD2 4.24Å; V536-L540 VanDerWaalsContact O-CB 3.28Å; V536-L540 WeakPolarHBondContact O-CB 3.26Å; L540-L542 VanDerWaalsContact C-N 3.35Å; L540-L542 PolarHBondContact O-N 2.87Å; L540-L543 PolarHBondContact O-N 3.13Å; L540-C544 PolarHBondContact O-N 2.89Å; L540-C544 PolarHBondContact O-SG 2.98Å; L540-L556 HydrophobicContact CD1-CD1 4.04Å; L540-I560 HydrophobicContact CD1-CD1 3.75Å; L540-I560 HydrophobicContact CD2-CD1 4.21Å; L540-C579 HydrophobicContact CD2-CB 3.89Å; L540-K582 HydrophobicContact CD2-CB 4.27Å; L540-K582 HydrophobicContact CD2-CD 4.27Å; L540-L583 HydrophobicContact CD1-CD2 4.09Å; L540-L583 HydrophobicContact CD2-CD2 4.46Å; L540-L583 HydrophobicContact CD2-CG 4.32Å; L540-L583 HydrophobicContact CG-CD2 4.5Å |
| 541 | E | 90.6 | Very high | 89.2 | Confident | 124 Ų | 124 | 53.4 Ų | 53.4 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.5 | -41.1 | -179.7 | -175.4 | 179 | 167.3 | 0 | 0 | 111.7 | S539 C544 R545 | S539-E541 PolarHBondContact O-N 2.68Å; E541-C544 PolarHBondContact O-N 3.3Å; E541-R545 PolarHBondContact O-N 3.26Å |
| 542 | L | 92.9 | Very high | 89 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.9 | -38.5 | 177.3 | -63 | 176.5 | 0 | 0 | 0 | 111.6 | C471 V474 S539 L540 R545 F546 | C471-L542 HydrophobicContact CB-CD1 4.07Å; V474-L542 HydrophobicContact CG2-CB 4.07Å; V474-L542 HydrophobicContact CG2-CD2 4.48Å; V474-L542 WeakPolarHBondContact CG2-O 3.32Å; S539-L542 PolarHBondContact O-N 2.88Å; S539-L542 VanDerWaalsContact O-N 3.13Å; L540-L542 VanDerWaalsContact C-N 3.35Å; L540-L542 PolarHBondContact O-N 2.87Å; L542-R545 PolarHBondContact O-N 3Å; L542-F546 WeakPolarHBondContact O-CB 3.41Å; L542-F546 PolarHBondContact O-N 3.02Å |
| 543 | L | 92.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 174.3 | -69.8 | 168.7 | 0 | 0 | 0 | 111.3 | I469 A473 V516 T520 L535 S539 L540 R545 F546 F547 L556 | I469-L543 HydrophobicContact CG2-CD1 4.4Å; A473-L543 HydrophobicContact CB-CD2 4.47Å; V516-L543 HydrophobicContact CG1-CD2 3.91Å; T520-L543 HydrophobicContact CG2-CD1 3.77Å; L535-L543 HydrophobicContact CD1-CD1 4.04Å; S539-L543 VanDerWaalsContact O-CG 3.31Å; S539-L543 WeakPolarHBondContact O-CG 3.27Å; S539-L543 PolarHBondContact O-N 3.19Å; L540-L543 PolarHBondContact O-N 3.13Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.26Å; L543-F546 WeakPolarHBondContact O-CB 3.15Å; L543-F546 PolarHBondContact O-N 2.78Å; L543-F547 HydrophobicContact CB-CD2 4.45Å; L543-F547 HydrophobicContact CB-CE2 4.39Å; L543-F547 HydrophobicContact CD2-CE2 4.31Å; L543-F547 WeakPolarHBondContact O-CD2 3.24Å; L543-F547 PolarHBondContact O-N 2.99Å; L543-L556 HydrophobicContact CB-CD1 4.16Å |
| 544 | C | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.4 | -66 | 0 | 0 | 0 | 0 | 111.5 | L540 E541 F546 G548 S552 L556 S586 | L540-C544 PolarHBondContact O-N 2.89Å; L540-C544 PolarHBondContact O-SG 2.98Å; E541-C544 PolarHBondContact O-N 3.3Å; C544-F546 VanDerWaalsContact C-N 3.31Å; C544-F546 PolarHBondContact O-N 3.04Å; C544-G548 WeakPolarHBondContact O-CA 3.25Å; C544-G548 PolarHBondContact O-N 3.33Å; C544-S552 WeakPolarHBondContact CA-OG 3.47Å; C544-S552 PolarHBondContact O-OG 3.33Å; C544-L556 HydrophobicContact CB-CD1 4.42Å; C544-L556 WeakPolarHBondContact SG-CD1 3.5Å; C544-S586 VanDerWaalsContact CB-CB 3.48Å; C544-S586 WeakPolarHBondContact CB-OG 3.47Å |
| 545 | R | 90.1 | Very high | 88.2 | Confident | 190 Ų | 190 | 54.3 Ų | 54.3 | 72% | 0.717 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.8 | -35.6 | 174.6 | -178.2 | 177.7 | 176.4 | 173 | -1.2 | 112.6 | E541 L542 L543 | E541-R545 PolarHBondContact O-N 3.26Å; L542-R545 PolarHBondContact O-N 3Å; L543-R545 VanDerWaalsContact C-N 3.32Å; L543-R545 PolarHBondContact O-N 3.26Å |
| 546 | F | 92.3 | Very high | 88 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -54.7 | 178.6 | 171.2 | -96.2 | 0 | 0 | 0 | 111.6 | A473 V474 K477 L512 D513 V516 L542 L543 C544 | A473-F546 HydrophobicContact CB-CB 4.33Å; A473-F546 HydrophobicContact CB-CD1 4.24Å; A473-F546 HydrophobicContact CB-CD2 3.72Å; A473-F546 HydrophobicContact CB-CE2 4.07Å; A473-F546 HydrophobicContact CB-CG 3.82Å; A473-F546 HydrophobicContact CB-CZ 4.49Å; A473-F546 VanDerWaalsContact O-CD2 3.32Å; A473-F546 WeakPolarHBondContact O-CD2 3.45Å; A473-F546 WeakPolarHBondContact O-CE2 3.38Å; V474-F546 HydrophobicContact CG2-CB 4.19Å; K477-F546 HydrophobicContact CB-CD2 4Å; K477-F546 HydrophobicContact CB-CE2 3.97Å; K477-F546 HydrophobicContact CD-CD2 3.97Å; K477-F546 HydrophobicContact CD-CE2 4.24Å; K477-F546 PolarHBondContact NZ-O 3.38Å; L512-F546 HydrophobicContact CD2-CE2 3.93Å; L512-F546 HydrophobicContact CD2-CZ 4.33Å; L512-F546 HydrophobicContact CG-CE2 4.02Å; L512-F546 HydrophobicContact CG-CZ 3.92Å; D513-F546 WeakPolarHBondContact OD1-CE1 3.32Å; D513-F546 WeakPolarHBondContact OD1-CZ 3.4Å; V516-F546 HydrophobicContact CB-CD1 4.41Å; V516-F546 HydrophobicContact CB-CE1 3.66Å; V516-F546 HydrophobicContact CB-CZ 3.98Å; V516-F546 HydrophobicContact CG1-CD1 3.92Å; V516-F546 HydrophobicContact CG1-CE1 3.67Å; V516-F546 HydrophobicContact CG1-CZ 4.31Å; V516-F546 HydrophobicContact CG2-CE1 4.06Å; V516-F546 HydrophobicContact CG2-CZ 3.87Å; L542-F546 WeakPolarHBondContact O-CB 3.41Å; L542-F546 PolarHBondContact O-N 3.02Å; L543-F546 WeakPolarHBondContact O-CB 3.15Å; L543-F546 PolarHBondContact O-N 2.78Å; C544-F546 VanDerWaalsContact C-N 3.31Å; C544-F546 PolarHBondContact O-N 3.04Å |
| 547 | F | 90.7 | Very high | 87.9 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.2 | -28.6 | -177.9 | -71.6 | -57.8 | 0 | 0 | 0 | 113.6 | V516 Q517 L543 K551 L556 | V516-F547 HydrophobicContact CB-CZ 4.37Å; V516-F547 HydrophobicContact CG1-CE1 4.47Å; V516-F547 HydrophobicContact CG1-CE2 4.4Å; V516-F547 HydrophobicContact CG1-CZ 3.83Å; Q517-F547 HydrophobicContact CB-CE1 3.99Å; Q517-F547 HydrophobicContact CB-CZ 4.07Å; L543-F547 HydrophobicContact CB-CD2 4.45Å; L543-F547 HydrophobicContact CB-CE2 4.39Å; L543-F547 HydrophobicContact CD2-CE2 4.31Å; L543-F547 WeakPolarHBondContact O-CD2 3.24Å; L543-F547 PolarHBondContact O-N 2.99Å; F547-K551 HydrophobicContact CB-CB 3.84Å; F547-K551 HydrophobicContact CD1-CB 4.37Å; F547-K551 HydrophobicContact CD1-CD 4.41Å; F547-K551 HydrophobicContact CG-CB 4.43Å; F547-L556 HydrophobicContact CD2-CD1 4.13Å; F547-L556 HydrophobicContact CD2-CD2 4.44Å; F547-L556 HydrophobicContact CD2-CG 4.26Å; F547-L556 HydrophobicContact CE2-CD2 4.23Å |
| 548 | G | 86.8 | Confident | 87.9 | Confident | 23 Ų | 23 | 53 Ų | 53 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | 72.8 | 175.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | C544 R550 S552 | C544-G548 WeakPolarHBondContact O-CA 3.25Å; C544-G548 PolarHBondContact O-N 3.33Å; G548-R550 PolarHBondContact O-N 2.96Å; G548-S552 WeakPolarHBondContact O-CB 3.47Å; G548-S552 PolarHBondContact O-N 2.87Å; G548-S552 PolarHBondContact O-OG 3.23Å |
| 549 | D | 82.4 | Confident | 87.8 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.1 | -47.4 | -161.8 | -47.9 | -3.4 | 0 | 0 | 0 | 113.5 | S553 S586 | D549-S553 PolarHBondContact O-N 3.21Å; D549-S586 VanDerWaalsContact OD1-O 3.13Å |
| 550 | R | 82.2 | Confident | 87.6 | Confident | 215 Ų | 215 | 51.3 Ų | 51.3 | 81% | 0.811 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.8 | -56.3 | -177 | -68.9 | -174.3 | 179.4 | -175.8 | 0.1 | 112 | G548 S552 S553 D554 | G548-R550 PolarHBondContact O-N 2.96Å; R550-S552 VanDerWaalsContact C-N 3.29Å; R550-S552 PolarHBondContact O-N 2.96Å; R550-S553 WeakPolarHBondContact O-CB 3.17Å; R550-S553 PolarHBondContact O-N 3.03Å; R550-S553 VanDerWaalsContact O-N 3.14Å; R550-D554 PolarHBondContact O-N 2.87Å |
| 551 | K | 82.5 | Confident | 87.4 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -31.7 | 180 | -74.7 | -170.3 | 176.3 | -172.6 | 0 | 112.2 | D513 F547 S553 D554 V555 | D513-K551 IonicContact OD2-NZ 2.9Å; D513-K551 PolarHBondContact OD2-NZ 3.44Å; F547-K551 HydrophobicContact CB-CB 3.84Å; F547-K551 HydrophobicContact CD1-CB 4.37Å; F547-K551 HydrophobicContact CD1-CD 4.41Å; F547-K551 HydrophobicContact CG-CB 4.43Å; K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 PolarHBondContact O-N 3.03Å; K551-D554 PolarHBondContact O-N 3.29Å; K551-V555 VanDerWaalsContact O-CB 3.29Å; K551-V555 WeakPolarHBondContact O-CB 3.41Å; K551-V555 WeakPolarHBondContact O-CG2 3.45Å; K551-V555 PolarHBondContact O-N 3.07Å |
| 552 | S | 85.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -63.4 | -38.2 | 174.2 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | C544 G548 R550 L556 L557 | C544-S552 WeakPolarHBondContact CA-OG 3.47Å; C544-S552 PolarHBondContact O-OG 3.33Å; G548-S552 WeakPolarHBondContact O-CB 3.47Å; G548-S552 PolarHBondContact O-N 2.87Å; G548-S552 PolarHBondContact O-OG 3.23Å; R550-S552 VanDerWaalsContact C-N 3.29Å; R550-S552 PolarHBondContact O-N 2.96Å; S552-L556 WeakPolarHBondContact O-CA 3.36Å; S552-L556 VanDerWaalsContact O-CB 3.31Å; S552-L556 WeakPolarHBondContact O-CB 3.22Å; S552-L556 PolarHBondContact O-N 2.7Å; S552-L557 PolarHBondContact O-N 3.35Å |
| 553 | S | 83.1 | Confident | 86.8 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -65.8 | -46.3 | 172.4 | -174 | 0 | 0 | 0 | 0 | 111.5 | D549 R550 K551 L557 S558 | D549-S553 PolarHBondContact O-N 3.21Å; R550-S553 WeakPolarHBondContact O-CB 3.17Å; R550-S553 PolarHBondContact O-N 3.03Å; R550-S553 VanDerWaalsContact O-N 3.14Å; K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 PolarHBondContact O-N 3.03Å; S553-L557 WeakPolarHBondContact O-CB 3.42Å; S553-S558 PolarHBondContact O-N 2.81Å |
| 554 | D | 83.7 | Confident | 86.4 | Confident | 116 Ų | 116 | 47.3 Ų | 47.3 | 62% | 0.62 | 23% | 0.233 | S | C | * | . | I | π-helix | trans | -72.4 | -35.2 | -174.6 | -64.1 | -20.7 | 0 | 0 | 0 | 113 | R550 K551 S558 | R550-D554 PolarHBondContact O-N 2.87Å; K551-D554 PolarHBondContact O-N 3.29Å; D554-S558 VanDerWaalsContact O-CB 3.26Å; D554-S558 WeakPolarHBondContact O-CB 3.37Å; D554-S558 PolarHBondContact O-OG 3.43Å |
| 555 | V | 85.6 | Confident | 86 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -99 | -58.1 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | Q517 V521 K551 S558 H559 | Q517-V555 HydrophobicContact CG-CG1 3.89Å; Q517-V555 HydrophobicContact CG-CG2 4.12Å; V521-V555 HydrophobicContact CG2-CG1 4Å; K551-V555 VanDerWaalsContact O-CB 3.29Å; K551-V555 WeakPolarHBondContact O-CB 3.41Å; K551-V555 WeakPolarHBondContact O-CG2 3.45Å; K551-V555 PolarHBondContact O-N 3.07Å; V555-S558 PolarHBondContact O-OG 2.94Å; V555-S558 VanDerWaalsContact O-OG 3.06Å; V555-H559 PolarHBondContact O-ND1 3.22Å |
| 556 | L | 88.3 | Confident | 85.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -78.1 | -50 | -169.9 | -58 | 174.2 | 0 | 0 | 0 | 111.4 | T520 L524 L540 L543 C544 F547 S552 H559 I560 L583 | T520-L556 HydrophobicContact CG2-CD2 3.56Å; L524-L556 HydrophobicContact CD1-CD2 4.35Å; L540-L556 HydrophobicContact CD1-CD1 4.04Å; L543-L556 HydrophobicContact CB-CD1 4.16Å; C544-L556 HydrophobicContact CB-CD1 4.42Å; C544-L556 WeakPolarHBondContact SG-CD1 3.5Å; F547-L556 HydrophobicContact CD2-CD1 4.13Å; F547-L556 HydrophobicContact CD2-CD2 4.44Å; F547-L556 HydrophobicContact CD2-CG 4.26Å; F547-L556 HydrophobicContact CE2-CD2 4.23Å; S552-L556 WeakPolarHBondContact O-CA 3.36Å; S552-L556 VanDerWaalsContact O-CB 3.31Å; S552-L556 WeakPolarHBondContact O-CB 3.22Å; S552-L556 PolarHBondContact O-N 2.7Å; L556-H559 PolarHBondContact O-N 3.45Å; L556-I560 HydrophobicContact CB-CD1 4.4Å; L556-I560 VanDerWaalsContact O-CB 3.29Å; L556-I560 WeakPolarHBondContact O-CB 3.5Å; L556-I560 WeakPolarHBondContact O-CD1 3.4Å; L556-I560 VanDerWaalsContact O-CG1 3.23Å; L556-I560 WeakPolarHBondContact O-CG1 3.45Å; L556-I560 PolarHBondContact O-N 3.1Å; L556-L583 HydrophobicContact CB-CD2 4.11Å |
| 557 | L | 85.7 | Confident | 84.4 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -63.7 | -44.8 | -178.2 | -180 | 64.6 | 0 | 0 | 0 | 110.8 | S552 S553 H559 I560 V561 L583 I587 V594 L595 | S552-L557 PolarHBondContact O-N 3.35Å; S553-L557 WeakPolarHBondContact O-CB 3.42Å; L557-H559 VanDerWaalsContact C-N 3.33Å; L557-H559 PolarHBondContact O-N 3.09Å; L557-I560 PolarHBondContact O-N 3.36Å; L557-V561 HydrophobicContact CD1-CG2 3.93Å; L557-V561 HydrophobicContact CG-CG2 4.2Å; L557-V561 WeakPolarHBondContact O-CB 3.44Å; L557-V561 WeakPolarHBondContact O-CG2 3.09Å; L557-V561 PolarHBondContact O-N 3.16Å; L557-L583 HydrophobicContact CD1-CD1 3.99Å; L557-I587 HydrophobicContact CB-CD1 4.21Å; L557-I587 HydrophobicContact CD2-CD1 4.33Å; L557-V594 HydrophobicContact CD2-CB 4.23Å; L557-V594 HydrophobicContact CD2-CG1 4.14Å; L557-L595 HydrophobicContact CD1-CD2 3.96Å |
| 558 | S | 86 | Confident | 83.5 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | S553 D554 V555 | S553-S558 PolarHBondContact O-N 2.81Å; D554-S558 VanDerWaalsContact O-CB 3.26Å; D554-S558 WeakPolarHBondContact O-CB 3.37Å; D554-S558 PolarHBondContact O-OG 3.43Å; V555-S558 PolarHBondContact O-OG 2.94Å; V555-S558 VanDerWaalsContact O-OG 3.06Å |
| 559 | H | 86.2 | Confident | 83.2 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.7 | -40.4 | 179.4 | -69.4 | 81.1 | 0 | 0 | 0 | 112.1 | V521 L524 V555 L556 L557 V561 T562 | V521-H559 WeakPolarHBondContact CG1-NE2 3.11Å; L524-H559 HydrophobicContact CD1-CB 3.89Å; V555-H559 PolarHBondContact O-ND1 3.22Å; L556-H559 PolarHBondContact O-N 3.45Å; L557-H559 VanDerWaalsContact C-N 3.33Å; L557-H559 PolarHBondContact O-N 3.09Å; H559-V561 VanDerWaalsContact C-N 3.29Å; H559-V561 PolarHBondContact O-N 3.44Å; H559-T562 WeakPolarHBondContact O-CB 3.45Å; H559-T562 WeakPolarHBondContact O-CG2 3.08Å; H559-T562 PolarHBondContact O-N 2.83Å; H559-T562 VanDerWaalsContact O-N 3.1Å; H559-T562 PolarHBondContact O-OG1 2.94Å |
| 560 | I | 88.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 179.2 | -71.6 | 167.9 | 0 | 0 | 0 | 111.3 | L524 L540 L556 L557 T562 F563 F576 C579 L583 | L524-I560 HydrophobicContact CD1-CG1 4.44Å; L524-I560 HydrophobicContact CD2-CD1 4.43Å; L524-I560 HydrophobicContact CD2-CG1 3.89Å; L540-I560 HydrophobicContact CD1-CD1 3.75Å; L540-I560 HydrophobicContact CD2-CD1 4.21Å; L556-I560 HydrophobicContact CB-CD1 4.4Å; L556-I560 VanDerWaalsContact O-CB 3.29Å; L556-I560 WeakPolarHBondContact O-CB 3.5Å; L556-I560 WeakPolarHBondContact O-CD1 3.4Å; L556-I560 VanDerWaalsContact O-CG1 3.23Å; L556-I560 WeakPolarHBondContact O-CG1 3.45Å; L556-I560 PolarHBondContact O-N 3.1Å; L557-I560 PolarHBondContact O-N 3.36Å; I560-T562 PolarHBondContact O-N 2.9Å; I560-F563 HydrophobicContact CG1-CE2 4.29Å; I560-F563 HydrophobicContact CG2-CD2 4.17Å; I560-F563 HydrophobicContact CG2-CE2 4.4Å; I560-F563 WeakPolarHBondContact O-CB 3.37Å; I560-F563 VanDerWaalsContact O-CG 3.32Å; I560-F563 WeakPolarHBondContact O-CG 2.77Å; I560-F563 PolarHBondContact O-N 3.06Å; I560-F576 HydrophobicContact CG2-CD2 3.66Å; I560-F576 HydrophobicContact CG2-CE2 4.15Å; I560-F576 WeakPolarHBondContact O-CD2 3.3Å; I560-C579 HydrophobicContact CG2-CB 4.04Å; I560-L583 HydrophobicContact CD1-CD1 3.99Å; I560-L583 HydrophobicContact CD1-CD2 4.35Å; I560-L583 HydrophobicContact CG2-CD1 4.26Å |
| 561 | V | 87.2 | Confident | 83.7 | Confident | 31 Ų | 31 | 55.4 Ų | 55.4 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -30.8 | 174.2 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | L557 H559 F563 L564 F576 L598 | L557-V561 HydrophobicContact CD1-CG2 3.93Å; L557-V561 HydrophobicContact CG-CG2 4.2Å; L557-V561 WeakPolarHBondContact O-CB 3.44Å; L557-V561 WeakPolarHBondContact O-CG2 3.09Å; L557-V561 PolarHBondContact O-N 3.16Å; H559-V561 VanDerWaalsContact C-N 3.29Å; H559-V561 PolarHBondContact O-N 3.44Å; V561-F563 PolarHBondContact O-N 3.23Å; V561-F563 VanDerWaalsContact O-N 3.13Å; V561-L564 WeakPolarHBondContact O-CB 3.22Å; V561-L564 PolarHBondContact O-N 3.12Å; V561-L564 VanDerWaalsContact O-N 3.07Å; V561-F576 HydrophobicContact CG2-CE2 3.99Å; V561-L598 HydrophobicContact CG1-CD1 4.14Å; V561-L598 HydrophobicContact CG1-CD2 4.36Å; V561-L598 HydrophobicContact CG2-CD1 3.63Å |
| 562 | T | 85.1 | Confident | 83.8 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 41% | 0.405 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.4 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | H559 I560 L564 N565 | H559-T562 WeakPolarHBondContact O-CB 3.45Å; H559-T562 WeakPolarHBondContact O-CG2 3.08Å; H559-T562 PolarHBondContact O-N 2.83Å; H559-T562 VanDerWaalsContact O-N 3.1Å; H559-T562 PolarHBondContact O-OG1 2.94Å; I560-T562 PolarHBondContact O-N 2.9Å; T562-L564 PolarHBondContact O-N 2.77Å; T562-N565 WeakPolarHBondContact O-CB 3.46Å; T562-N565 PolarHBondContact O-N 3.01Å |
| 563 | F | 86.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -62.8 | -26.2 | 175.8 | -63.9 | -4.9 | 0 | 0 | 0 | 112.4 | L524 R532 V536 I560 V561 N565 L572 R573 L575 F576 | L524-F563 HydrophobicContact CD2-CE2 4.5Å; L524-F563 HydrophobicContact CD2-CZ 3.82Å; R532-F563 HydrophobicContact CB-CZ 4.28Å; V536-F563 HydrophobicContact CG2-CE2 4.3Å; I560-F563 HydrophobicContact CG1-CE2 4.29Å; I560-F563 HydrophobicContact CG2-CD2 4.17Å; I560-F563 HydrophobicContact CG2-CE2 4.4Å; I560-F563 WeakPolarHBondContact O-CB 3.37Å; I560-F563 VanDerWaalsContact O-CG 3.32Å; I560-F563 WeakPolarHBondContact O-CG 2.77Å; I560-F563 PolarHBondContact O-N 3.06Å; V561-F563 PolarHBondContact O-N 3.23Å; V561-F563 VanDerWaalsContact O-N 3.13Å; F563-N565 VanDerWaalsContact C-N 3.3Å; F563-L572 HydrophobicContact CB-CB 4.26Å; F563-L572 HydrophobicContact CD1-CD2 4.34Å; F563-L572 HydrophobicContact CG-CD2 4.32Å; F563-R573 WeakPolarHBondContact O-CG 3.49Å; F563-L575 HydrophobicContact CD2-CD2 4.45Å; F563-L575 HydrophobicContact CE2-CD2 4.1Å; F563-F576 HydrophobicContact CB-CB 4.16Å |
| 564 | L | 84.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -72.4 | -22.6 | 174.2 | -75.8 | 177.8 | 0 | 0 | 0 | 113.6 | V561 T562 E566 R573 F576 F577 L598 | V561-L564 WeakPolarHBondContact O-CB 3.22Å; V561-L564 PolarHBondContact O-N 3.12Å; V561-L564 VanDerWaalsContact O-N 3.07Å; T562-L564 PolarHBondContact O-N 2.77Å; L564-E566 VanDerWaalsContact C-N 3.29Å; L564-R573 HydrophobicContact CD2-CB 4.23Å; L564-R573 HydrophobicContact CD2-CG 4.43Å; L564-F576 HydrophobicContact CD1-CD1 3.59Å; L564-F576 HydrophobicContact CD1-CD2 4.25Å; L564-F576 HydrophobicContact CD1-CE1 3.39Å; L564-F576 HydrophobicContact CD1-CE2 4.1Å; L564-F576 HydrophobicContact CD1-CG 4.03Å; L564-F576 HydrophobicContact CD1-CZ 3.68Å; L564-F576 HydrophobicContact CD2-CB 4.22Å; L564-F576 HydrophobicContact CD2-CD1 3.66Å; L564-F576 HydrophobicContact CD2-CE1 4.3Å; L564-F576 HydrophobicContact CD2-CG 3.99Å; L564-F576 HydrophobicContact CG-CB 4.19Å; L564-F576 HydrophobicContact CG-CD1 3.57Å; L564-F576 HydrophobicContact CG-CD2 4.04Å; L564-F576 HydrophobicContact CG-CE1 3.95Å; L564-F576 HydrophobicContact CG-CE2 4.38Å; L564-F576 HydrophobicContact CG-CG 3.64Å; L564-F576 HydrophobicContact CG-CZ 4.34Å; L564-F577 HydrophobicContact CD2-CE2 3.69Å; L564-F577 HydrophobicContact CD2-CZ 3.89Å; L564-L598 HydrophobicContact CD1-CB 3.88Å; L564-L598 HydrophobicContact CD1-CD1 4.46Å; L564-L598 HydrophobicContact CD1-CD2 3.85Å; L564-L598 HydrophobicContact CD1-CG 4.27Å |
| 565 | N | 81.5 | Confident | 84.8 | Confident | 114 Ų | 114 | 49.1 Ų | 49.1 | 61% | 0.61 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -79.8 | -14.4 | -179.9 | -67.5 | -22.7 | 0 | 0 | 0 | 112.6 | T562 F563 K567 | T562-N565 WeakPolarHBondContact O-CB 3.46Å; T562-N565 PolarHBondContact O-N 3.01Å; F563-N565 VanDerWaalsContact C-N 3.3Å; N565-K567 PolarHBondContact O-N 3.45Å |
| 566 | E | 78.9 | Confident | 85.2 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | trans | -72.6 | 98.1 | 178.3 | -80.3 | -75.7 | -160.6 | 0 | 0 | 111.3 | L564 L572 R573 | L564-E566 VanDerWaalsContact C-N 3.29Å; E566-L572 HydrophobicContact CB-CB 4.37Å; E566-L572 HydrophobicContact CB-CD1 3.96Å; E566-L572 HydrophobicContact CG-CD1 3.73Å; E566-R573 WeakPolarHBondContact O-CD 3.37Å; E566-R573 PolarHBondContact O-NE 2.92Å | ||
| 567 | K | 71.9 | Confident | 85.4 | Confident | 136 Ų | 136 | 48.7 Ų | 48.7 | 59% | 0.591 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -68.2 | -37.2 | -176.2 | -64.7 | -179.7 | -176.8 | 172 | 0 | 111.8 | N565 R573 | N565-K567 PolarHBondContact O-N 3.45Å; K567-R573 PolarHBondContact O-NH2 2.76Å |
| 568 | N | 70.6 | Confident | 85.6 | Confident | 152 Ų | 152 | 51.5 Ų | 51.5 | 81% | 0.813 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -84.5 | -32.6 | -169.3 | -66.7 | -18.5 | 0 | 0 | 0 | 113.7 | ||
| 569 | D | 80.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | trans | -109.7 | 95.7 | -179.7 | -165.8 | 3.1 | 0 | 0 | 0 | 112 | R571 L572 | D569-R571 PolarHBondContact O-N 2.88Å; D569-R571 VanDerWaalsContact O-N 3.08Å; D569-R571 VanDerWaalsContact OD1-CB 3.24Å; D569-R571 WeakPolarHBondContact OD1-CB 3.32Å; D569-R571 WeakPolarHBondContact OD1-CG 3.27Å; D569-R571 PolarHBondContact OD1-N 2.74Å; D569-R571 IonicContact OD1-NH1 3.85Å; D569-R571 PolarHBondContact OD1-NH1 2.83Å; D569-L572 HydrophobicContact CB-CD1 4.37Å; D569-L572 PolarHBondContact O-N 2.86Å | ||
| 570 | W | 86.3 | Confident | 86 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -21.2 | 175.4 | 72.3 | -96.2 | 0 | 0 | 0 | 113.1 | L572 R573 Y574 E607 N609 V610 | W570-L572 VanDerWaalsContact C-N 3.33Å; W570-L572 PolarHBondContact O-N 3.35Å; W570-R573 PolarHBondContact O-N 3.14Å; W570-Y574 AromaticContact CZ3-CD2 3.96Å; W570-Y574 HydrophobicContact CZ3-CD2 3.96Å; W570-Y574 HydrophobicContact CZ3-CG 4.09Å; W570-Y574 VanDerWaalsContact O-CB 3.32Å; W570-Y574 WeakPolarHBondContact O-CB 3.23Å; W570-Y574 PolarHBondContact O-N 3.47Å; W570-E607 HydrophobicContact CB-CB 4.19Å; W570-E607 HydrophobicContact CB-CG 3.76Å; W570-E607 HydrophobicContact CG-CG 4.37Å; W570-N609 HydrophobicContact CE3-CB 3.75Å; W570-N609 HydrophobicContact CH2-CB 4.01Å; W570-N609 WeakPolarHBondContact CH2-ND2 3.33Å; W570-N609 HydrophobicContact CZ3-CB 3.41Å; W570-N609 VanDerWaalsContact CZ3-CB 3.41Å; W570-V610 HydrophobicContact CB-CG2 4.13Å; W570-V610 HydrophobicContact CE3-CG2 4.42Å |
| 571 | R | 88.6 | Confident | 86.1 | Confident | 131 Ų | 131 | 47 Ų | 47 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69 | -31.5 | 179.6 | -60.4 | 177.4 | -175.9 | 82.1 | -2.5 | 112.3 | L529 D569 L575 | L529-R571 HydrophobicContact CD1-CB 4.46Å; L529-R571 HydrophobicContact CD2-CB 3.94Å; D569-R571 PolarHBondContact O-N 2.88Å; D569-R571 VanDerWaalsContact O-N 3.08Å; D569-R571 VanDerWaalsContact OD1-CB 3.24Å; D569-R571 WeakPolarHBondContact OD1-CB 3.32Å; D569-R571 WeakPolarHBondContact OD1-CG 3.27Å; D569-R571 PolarHBondContact OD1-N 2.74Å; D569-R571 IonicContact OD1-NH1 3.85Å; D569-R571 PolarHBondContact OD1-NH1 2.83Å; R571-L575 VanDerWaalsContact O-CB 3.29Å; R571-L575 WeakPolarHBondContact O-CB 3.33Å; R571-L575 PolarHBondContact O-N 2.82Å |
| 572 | L | 85.3 | Confident | 86.1 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 173 | -76.8 | 170.3 | 0 | 0 | 0 | 110.9 | L529 F563 E566 D569 W570 Y574 L575 F576 | L529-L572 HydrophobicContact CD1-CD1 4.3Å; L529-L572 HydrophobicContact CD1-CD2 3.34Å; L529-L572 HydrophobicContact CD1-CG 3.44Å; L529-L572 VanDerWaalsContact CD1-CG 3.44Å; F563-L572 HydrophobicContact CB-CB 4.26Å; F563-L572 HydrophobicContact CD1-CD2 4.34Å; F563-L572 HydrophobicContact CG-CD2 4.32Å; E566-L572 HydrophobicContact CB-CB 4.37Å; E566-L572 HydrophobicContact CB-CD1 3.96Å; E566-L572 HydrophobicContact CG-CD1 3.73Å; D569-L572 HydrophobicContact CB-CD1 4.37Å; D569-L572 PolarHBondContact O-N 2.86Å; W570-L572 VanDerWaalsContact C-N 3.33Å; W570-L572 PolarHBondContact O-N 3.35Å; L572-Y574 VanDerWaalsContact C-N 3.31Å; L572-Y574 PolarHBondContact O-N 2.79Å; L572-L575 WeakPolarHBondContact O-CB 3.33Å; L572-L575 PolarHBondContact O-N 2.92Å; L572-L575 VanDerWaalsContact O-N 3.13Å; L572-F576 PolarHBondContact O-N 3.06Å |
| 573 | R | 91.1 | Very high | 86.2 | Confident | 17 Ų | 17 | 45 Ų | 45 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.4 | -59.7 | -169.4 | -88.9 | 126.3 | 0.8 | 111.9 | F563 L564 E566 K567 W570 F576 F577 D605 V610 | F563-R573 WeakPolarHBondContact O-CG 3.49Å; L564-R573 HydrophobicContact CD2-CB 4.23Å; L564-R573 HydrophobicContact CD2-CG 4.43Å; E566-R573 WeakPolarHBondContact O-CD 3.37Å; E566-R573 PolarHBondContact O-NE 2.92Å; K567-R573 PolarHBondContact O-NH2 2.76Å; W570-R573 PolarHBondContact O-N 3.14Å; R573-F576 WeakPolarHBondContact O-CB 3.41Å; R573-F576 PolarHBondContact O-N 2.81Å; R573-F577 VanDerWaalsContact O-CD2 3.23Å; R573-F577 WeakPolarHBondContact O-CD2 3.47Å; R573-D605 IonicContact CZ-OD1 2.81Å; R573-D605 IonicContact CZ-OD2 3.98Å; R573-D605 IonicContact NH1-OD1 3.09Å; R573-D605 PolarHBondContact NH1-OD1 3.31Å; R573-D605 IonicContact NH1-OD2 3.38Å; R573-D605 PolarHBondContact NH1-OD2 2.95Å; R573-V610 HydrophobicContact CB-CG1 4.03Å; R573-V610 HydrophobicContact CB-CG2 3.95Å |
| 574 | Y | 92.3 | Very high | 86.3 | Confident | 56 Ų | 56 | 45 Ų | 45 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 170.8 | 178.1 | -83.6 | 0 | 0 | 0 | 111.5 | W570 L572 F576 F577 Q578 N609 A613 | W570-Y574 AromaticContact CZ3-CD2 3.96Å; W570-Y574 HydrophobicContact CZ3-CD2 3.96Å; W570-Y574 HydrophobicContact CZ3-CG 4.09Å; W570-Y574 VanDerWaalsContact O-CB 3.32Å; W570-Y574 WeakPolarHBondContact O-CB 3.23Å; W570-Y574 PolarHBondContact O-N 3.47Å; L572-Y574 VanDerWaalsContact C-N 3.31Å; L572-Y574 PolarHBondContact O-N 2.79Å; Y574-F576 VanDerWaalsContact C-N 3.32Å; Y574-F576 PolarHBondContact O-N 3.31Å; Y574-F577 PolarHBondContact O-N 3.04Å; Y574-Q578 HydrophobicContact CD1-CG 4.26Å; Y574-Q578 HydrophobicContact CE1-CG 3.89Å; Y574-Q578 PolarHBondContact O-N 2.9Å; Y574-Q578 PolarHBondContact OH-NE2 2.83Å; Y574-N609 HydrophobicContact CD2-CB 4.45Å; Y574-N609 VanDerWaalsContact CD2-O 3.31Å; Y574-N609 WeakPolarHBondContact CD2-O 3.41Å; Y574-A613 HydrophobicContact CD2-CB 3.47Å; Y574-A613 VanDerWaalsContact CD2-CB 3.47Å; Y574-A613 HydrophobicContact CE2-CB 3.59Å; Y574-A613 HydrophobicContact CG-CB 4.04Å |
| 575 | L | 89.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -39.3 | 178.9 | -176 | 66.3 | 0 | 0 | 0 | 111.7 | K533 V536 F563 R571 L572 F577 Q578 C579 | K533-L575 HydrophobicContact CB-CD1 4.47Å; K533-L575 HydrophobicContact CB-CD2 4.15Å; K533-L575 HydrophobicContact CG-CD1 4.07Å; V536-L575 HydrophobicContact CB-CD1 4.16Å; V536-L575 HydrophobicContact CB-CD2 4.46Å; V536-L575 HydrophobicContact CB-CG 4.45Å; V536-L575 HydrophobicContact CG1-CD1 3.75Å; V536-L575 HydrophobicContact CG1-CG 4.23Å; V536-L575 HydrophobicContact CG2-CD2 4.2Å; V536-L575 HydrophobicContact CG2-CG 4.39Å; F563-L575 HydrophobicContact CD2-CD2 4.45Å; F563-L575 HydrophobicContact CE2-CD2 4.1Å; R571-L575 VanDerWaalsContact O-CB 3.29Å; R571-L575 WeakPolarHBondContact O-CB 3.33Å; R571-L575 PolarHBondContact O-N 2.82Å; L572-L575 WeakPolarHBondContact O-CB 3.33Å; L572-L575 PolarHBondContact O-N 2.92Å; L572-L575 VanDerWaalsContact O-N 3.13Å; L575-F577 VanDerWaalsContact C-N 3.33Å; L575-F577 PolarHBondContact O-N 3.37Å; L575-Q578 WeakPolarHBondContact O-CA 3.45Å; L575-Q578 WeakPolarHBondContact O-CB 2.89Å; L575-Q578 PolarHBondContact O-N 2.84Å; L575-C579 PolarHBondContact O-N 2.9Å; L575-C579 PolarHBondContact O-SG 3.49Å |
| 576 | F | 93 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50.1 | -52.2 | 174.6 | 170.9 | -94.3 | 0 | 0 | 0 | 111.6 | I560 V561 F563 L564 L572 R573 Y574 Q578 C579 C580 L595 L598 | I560-F576 HydrophobicContact CG2-CD2 3.66Å; I560-F576 HydrophobicContact CG2-CE2 4.15Å; I560-F576 WeakPolarHBondContact O-CD2 3.3Å; V561-F576 HydrophobicContact CG2-CE2 3.99Å; F563-F576 HydrophobicContact CB-CB 4.16Å; L564-F576 HydrophobicContact CD1-CD1 3.59Å; L564-F576 HydrophobicContact CD1-CD2 4.25Å; L564-F576 HydrophobicContact CD1-CE1 3.39Å; L564-F576 HydrophobicContact CD1-CE2 4.1Å; L564-F576 HydrophobicContact CD1-CG 4.03Å; L564-F576 HydrophobicContact CD1-CZ 3.68Å; L564-F576 HydrophobicContact CD2-CB 4.22Å; L564-F576 HydrophobicContact CD2-CD1 3.66Å; L564-F576 HydrophobicContact CD2-CE1 4.3Å; L564-F576 HydrophobicContact CD2-CG 3.99Å; L564-F576 HydrophobicContact CG-CB 4.19Å; L564-F576 HydrophobicContact CG-CD1 3.57Å; L564-F576 HydrophobicContact CG-CD2 4.04Å; L564-F576 HydrophobicContact CG-CE1 3.95Å; L564-F576 HydrophobicContact CG-CE2 4.38Å; L564-F576 HydrophobicContact CG-CG 3.64Å; L564-F576 HydrophobicContact CG-CZ 4.34Å; L572-F576 PolarHBondContact O-N 3.06Å; R573-F576 WeakPolarHBondContact O-CB 3.41Å; R573-F576 PolarHBondContact O-N 2.81Å; Y574-F576 VanDerWaalsContact C-N 3.32Å; Y574-F576 PolarHBondContact O-N 3.31Å; F576-Q578 VanDerWaalsContact C-N 3.27Å; F576-Q578 PolarHBondContact O-N 3.44Å; F576-C579 WeakPolarHBondContact O-CA 3.17Å; F576-C579 VanDerWaalsContact O-CB 3.23Å; F576-C579 WeakPolarHBondContact O-CB 3.33Å; F576-C579 PolarHBondContact O-N 2.81Å; F576-C580 WeakPolarHBondContact CE1-SG 3.44Å; F576-C580 VanDerWaalsContact CZ-SG 3.57Å; F576-C580 PolarHBondContact O-N 2.89Å; F576-C580 PolarHBondContact O-SG 2.87Å; F576-C580 VanDerWaalsContact O-SG 3.32Å; F576-L595 HydrophobicContact CZ-CD2 4.32Å; F576-L598 HydrophobicContact CE1-CB 4.17Å; F576-L598 HydrophobicContact CE2-CD1 4.29Å; F576-L598 HydrophobicContact CZ-CB 4.04Å; F576-L598 HydrophobicContact CZ-CD1 3.69Å; F576-L598 HydrophobicContact CZ-CG 4.48Å |
| 577 | F | 94 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -26.7 | -179.6 | -68.6 | -67.9 | 0 | 0 | 0 | 113.2 | L564 R573 Y574 L575 C579 P581 L598 Y599 V610 A613 T614 S617 | L564-F577 HydrophobicContact CD2-CE2 3.69Å; L564-F577 HydrophobicContact CD2-CZ 3.89Å; R573-F577 VanDerWaalsContact O-CD2 3.23Å; R573-F577 WeakPolarHBondContact O-CD2 3.47Å; Y574-F577 PolarHBondContact O-N 3.04Å; L575-F577 VanDerWaalsContact C-N 3.33Å; L575-F577 PolarHBondContact O-N 3.37Å; F577-C579 VanDerWaalsContact C-N 3.29Å; F577-P581 WeakPolarHBondContact O-CD 3.24Å; F577-L598 WeakPolarHBondContact CZ-O 3.17Å; F577-Y599 HydrophobicContact CD1-CD1 4.19Å; F577-Y599 AromaticContact CD1-CE1 3.94Å; F577-Y599 HydrophobicContact CD1-CE1 3.94Å; F577-Y599 HydrophobicContact CE1-CD1 4.09Å; F577-Y599 HydrophobicContact CE1-CE1 4.29Å; F577-V610 HydrophobicContact CD2-CG1 3.89Å; F577-V610 HydrophobicContact CE2-CG1 3.65Å; F577-A613 HydrophobicContact CB-CB 3.98Å; F577-T614 HydrophobicContact CD1-CG2 3.97Å; F577-T614 VanDerWaalsContact CD2-OG1 3.29Å; F577-T614 WeakPolarHBondContact CD2-OG1 3.25Å; F577-T614 HydrophobicContact CE1-CG2 3.82Å; F577-T614 VanDerWaalsContact CE2-OG1 3.27Å; F577-T614 WeakPolarHBondContact CE2-OG1 2.99Å; F577-T614 HydrophobicContact CZ-CG2 4.28Å; F577-T614 WeakPolarHBondContact CZ-OG1 3.44Å; F577-S617 WeakPolarHBondContact O-CB 3.4Å; F577-S617 PolarHBondContact O-OG 2.8Å |
| 578 | Q | 90.2 | Very high | 87.3 | Confident | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.3 | -26.8 | 169.7 | -64.4 | -165.7 | -42.8 | 0 | 0 | 112.9 | Y574 L575 F576 | Y574-Q578 HydrophobicContact CD1-CG 4.26Å; Y574-Q578 HydrophobicContact CE1-CG 3.89Å; Y574-Q578 PolarHBondContact O-N 2.9Å; Y574-Q578 PolarHBondContact OH-NE2 2.83Å; L575-Q578 WeakPolarHBondContact O-CA 3.45Å; L575-Q578 WeakPolarHBondContact O-CB 2.89Å; L575-Q578 PolarHBondContact O-N 2.84Å; F576-Q578 VanDerWaalsContact C-N 3.27Å; F576-Q578 PolarHBondContact O-N 3.44Å |
| 579 | C | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.8 | -38.7 | 176.6 | -55 | 0 | 0 | 0 | 0 | 112.2 | V536 L540 I560 L575 F576 F577 K582 L583 | V536-C579 HydrophobicContact CG1-CB 4.37Å; V536-C579 WeakPolarHBondContact CG1-SG 3.08Å; V536-C579 VanDerWaalsContact CG2-SG 3.56Å; L540-C579 HydrophobicContact CD2-CB 3.89Å; I560-C579 HydrophobicContact CG2-CB 4.04Å; L575-C579 PolarHBondContact O-N 2.9Å; L575-C579 PolarHBondContact O-SG 3.49Å; F576-C579 WeakPolarHBondContact O-CA 3.17Å; F576-C579 VanDerWaalsContact O-CB 3.23Å; F576-C579 WeakPolarHBondContact O-CB 3.33Å; F576-C579 PolarHBondContact O-N 2.81Å; F577-C579 VanDerWaalsContact C-N 3.29Å; C579-K582 WeakPolarHBondContact O-CB 3.1Å; C579-K582 PolarHBondContact O-N 2.88Å; C579-L583 HydrophobicContact CB-CD1 4.13Å; C579-L583 PolarHBondContact O-N 2.87Å; C579-L583 VanDerWaalsContact O-N 3.11Å |
| 580 | C | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.1 | -45 | -168.3 | -65 | 0 | 0 | 0 | 0 | 114.3 | F576 K582 L583 T584 Y599 | F576-C580 WeakPolarHBondContact CE1-SG 3.44Å; F576-C580 VanDerWaalsContact CZ-SG 3.57Å; F576-C580 PolarHBondContact O-N 2.89Å; F576-C580 PolarHBondContact O-SG 2.87Å; F576-C580 VanDerWaalsContact O-SG 3.32Å; C580-K582 VanDerWaalsContact C-N 3.29Å; C580-K582 PolarHBondContact O-N 2.77Å; C580-L583 PolarHBondContact O-N 2.79Å; C580-T584 WeakPolarHBondContact O-CB 3.23Å; C580-T584 PolarHBondContact O-N 3.11Å; C580-T584 PolarHBondContact O-OG1 2.83Å; C580-Y599 HydrophobicContact CB-CE2 4.33Å; C580-Y599 WeakPolarHBondContact CB-OH 3.26Å |
| 581 | P | 89.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 12% | 0.117 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -41.4 | 178.7 | -25 | 36.3 | 0 | 0 | 0 | 112.6 | F577 I585 S617 E620 L621 | F577-P581 WeakPolarHBondContact O-CD 3.24Å; P581-I585 WeakPolarHBondContact O-CD1 3.48Å; P581-I585 WeakPolarHBondContact O-CG1 3.39Å; P581-I585 PolarHBondContact O-N 3.34Å; P581-I585 VanDerWaalsContact O-N 3.1Å; P581-S617 WeakPolarHBondContact CD-OG 3.25Å; P581-E620 HydrophobicContact CB-CB 4.45Å; P581-E620 HydrophobicContact CG-CB 4.34Å; P581-L621 HydrophobicContact CB-CD2 4.3Å; P581-L621 HydrophobicContact CG-CG 4.49Å |
| 582 | K | 87.7 | Confident | 87.4 | Confident | 54 Ų | 54 | 28.7 Ų | 28.7 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.5 | -59.5 | -176.1 | 178.8 | -172.7 | 0 | 111.4 | V536 Q537 L540 C579 C580 I585 S586 | V536-K582 PolarHBondContact O-NZ 3.48Å; Q537-K582 PolarHBondContact O-NZ 2.98Å; L540-K582 HydrophobicContact CD2-CB 4.27Å; L540-K582 HydrophobicContact CD2-CD 4.27Å; C579-K582 WeakPolarHBondContact O-CB 3.1Å; C579-K582 PolarHBondContact O-N 2.88Å; C580-K582 VanDerWaalsContact C-N 3.29Å; C580-K582 PolarHBondContact O-N 2.77Å; K582-I585 PolarHBondContact O-N 2.97Å; K582-S586 PolarHBondContact O-N 2.87Å; K582-S586 PolarHBondContact O-OG 2.69Å |
| 583 | L | 87.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 178.9 | -70.4 | 171.2 | 0 | 0 | 0 | 112.1 | L540 L556 L557 I560 C579 C580 S586 I587 | L540-L583 HydrophobicContact CD1-CD2 4.09Å; L540-L583 HydrophobicContact CD2-CD2 4.46Å; L540-L583 HydrophobicContact CD2-CG 4.32Å; L540-L583 HydrophobicContact CG-CD2 4.5Å; L556-L583 HydrophobicContact CB-CD2 4.11Å; L557-L583 HydrophobicContact CD1-CD1 3.99Å; I560-L583 HydrophobicContact CD1-CD1 3.99Å; I560-L583 HydrophobicContact CD1-CD2 4.35Å; I560-L583 HydrophobicContact CG2-CD1 4.26Å; C579-L583 HydrophobicContact CB-CD1 4.13Å; C579-L583 PolarHBondContact O-N 2.87Å; C579-L583 VanDerWaalsContact O-N 3.11Å; C580-L583 PolarHBondContact O-N 2.79Å; L583-S586 PolarHBondContact O-N 3.18Å; L583-I587 HydrophobicContact CB-CD1 4.33Å; L583-I587 HydrophobicContact CD2-CD1 4.46Å; L583-I587 WeakPolarHBondContact O-CB 3.43Å; L583-I587 WeakPolarHBondContact O-CG1 3.45Å; L583-I587 PolarHBondContact O-N 2.77Å |
| 584 | T | 88.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | -179.2 | -54 | 0 | 0 | 0 | 0 | 112.2 | C580 S586 G588 L595 L621 L626 | C580-T584 WeakPolarHBondContact O-CB 3.23Å; C580-T584 PolarHBondContact O-N 3.11Å; C580-T584 PolarHBondContact O-OG1 2.83Å; T584-S586 VanDerWaalsContact C-N 3.27Å; T584-S586 PolarHBondContact O-N 2.91Å; T584-G588 VanDerWaalsContact O-CA 3.27Å; T584-G588 WeakPolarHBondContact O-CA 3.31Å; T584-G588 PolarHBondContact O-N 2.89Å; T584-L595 WeakPolarHBondContact OG1-CD1 3.36Å; T584-L621 HydrophobicContact CG2-CD2 3.83Å; T584-L626 HydrophobicContact CG2-CB 4.15Å; T584-L626 HydrophobicContact CG2-CD1 4.16Å |
| 585 | I | 87.5 | Confident | 87.1 | Confident | 99 Ų | 99 | 32.9 Ų | 32.9 | 51% | 0.508 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -41 | 173.3 | -70.7 | 162.2 | 0 | 0 | 0 | 110.6 | P581 K582 L624 L626 | P581-I585 WeakPolarHBondContact O-CD1 3.48Å; P581-I585 WeakPolarHBondContact O-CG1 3.39Å; P581-I585 PolarHBondContact O-N 3.34Å; P581-I585 VanDerWaalsContact O-N 3.1Å; K582-I585 PolarHBondContact O-N 2.97Å; I585-L624 HydrophobicContact CD1-CD1 3.68Å; I585-L624 HydrophobicContact CG1-CD1 3.91Å; I585-L626 HydrophobicContact CG1-CD1 3.79Å |
| 586 | S | 82.6 | Confident | 87.1 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -82.9 | -44.7 | -177.5 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | C544 D549 K582 L583 T584 | C544-S586 VanDerWaalsContact CB-CB 3.48Å; C544-S586 WeakPolarHBondContact CB-OG 3.47Å; D549-S586 VanDerWaalsContact OD1-O 3.13Å; K582-S586 PolarHBondContact O-N 2.87Å; K582-S586 PolarHBondContact O-OG 2.69Å; L583-S586 PolarHBondContact O-N 3.18Å; T584-S586 VanDerWaalsContact C-N 3.27Å; T584-S586 PolarHBondContact O-N 2.91Å |
| 587 | I | 85 | Confident | 86.9 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -80.4 | -25.4 | -176.8 | -59.2 | 166.5 | 0 | 0 | 0 | 111.3 | L557 L583 | L557-I587 HydrophobicContact CB-CD1 4.21Å; L557-I587 HydrophobicContact CD2-CD1 4.33Å; L583-I587 HydrophobicContact CB-CD1 4.33Å; L583-I587 HydrophobicContact CD2-CD1 4.46Å; L583-I587 WeakPolarHBondContact O-CB 3.43Å; L583-I587 WeakPolarHBondContact O-CG1 3.45Å; L583-I587 PolarHBondContact O-N 2.77Å |
| 588 | G | 83 | Confident | 86.8 | Confident | 23 Ų | 23 | 39 Ų | 39 | 24% | 0.237 | 22% | 0.224 | C | C | . | . | trans | 79.1 | -167.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | T584 Q590 S591 | T584-G588 VanDerWaalsContact O-CA 3.27Å; T584-G588 WeakPolarHBondContact O-CA 3.31Å; T584-G588 PolarHBondContact O-N 2.89Å; G588-Q590 PolarHBondContact O-N 2.91Å; G588-Q590 VanDerWaalsContact O-N 3.1Å; G588-S591 WeakPolarHBondContact O-CB 3.31Å; G588-S591 PolarHBondContact O-N 2.89Å; G588-S591 VanDerWaalsContact O-N 3.1Å; G588-S591 PolarHBondContact O-OG 2.98Å | ||
| 589 | A | 78.3 | Confident | 87 | Confident | 52 Ų | 52 | 36 Ų | 36 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -60.9 | -23 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | S591 W592 | A589-S591 PolarHBondContact O-N 2.71Å; A589-W592 WeakPolarHBondContact O-CB 3.31Å; A589-W592 PolarHBondContact O-N 3.29Å; A589-W592 VanDerWaalsContact O-N 3.14Å |
| 590 | Q | 79 | Confident | 87 | Confident | 161 Ų | 161 | 38 Ų | 38 | 75% | 0.752 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -60.1 | -27.4 | 176.8 | -65.5 | 179.4 | 4 | 0 | 0 | 112.5 | G588 W592 C593 | G588-Q590 PolarHBondContact O-N 2.91Å; G588-Q590 VanDerWaalsContact O-N 3.1Å; Q590-W592 PolarHBondContact O-N 2.78Å; Q590-W592 VanDerWaalsContact O-N 3.16Å; Q590-C593 PolarHBondContact O-N 3.35Å; Q590-C593 PolarHBondContact O-SG 2.87Å |
| 591 | S | 85 | Confident | 86.9 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.6 | -21.1 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | G588 A589 C593 V594 L595 | G588-S591 WeakPolarHBondContact O-CB 3.31Å; G588-S591 PolarHBondContact O-N 2.89Å; G588-S591 VanDerWaalsContact O-N 3.1Å; G588-S591 PolarHBondContact O-OG 2.98Å; A589-S591 PolarHBondContact O-N 2.71Å; S591-C593 VanDerWaalsContact C-N 3.29Å; S591-C593 PolarHBondContact O-N 2.81Å; S591-V594 PolarHBondContact O-N 3.22Å; S591-V594 VanDerWaalsContact O-N 3.13Å; S591-L595 WeakPolarHBondContact O-CB 3.36Å; S591-L595 VanDerWaalsContact O-CG 3.32Å; S591-L595 WeakPolarHBondContact O-CG 3.41Å; S591-L595 PolarHBondContact O-N 3.25Å |
| 592 | W | 86.5 | Confident | 87 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -25 | -177.6 | -83.4 | 109.9 | 0 | 0 | 0 | 115.1 | A589 Q590 V594 L595 F596 Y599 L618 L621 L626 V627 I631 L635 | A589-W592 WeakPolarHBondContact O-CB 3.31Å; A589-W592 PolarHBondContact O-N 3.29Å; A589-W592 VanDerWaalsContact O-N 3.14Å; Q590-W592 PolarHBondContact O-N 2.78Å; Q590-W592 VanDerWaalsContact O-N 3.16Å; W592-V594 PolarHBondContact O-N 3.15Å; W592-L595 HydrophobicContact CE3-CB 4.22Å; W592-L595 PolarHBondContact O-N 3.02Å; W592-F596 HydrophobicContact CE3-CB 4.34Å; W592-F596 WeakPolarHBondContact O-CB 3.46Å; W592-F596 PolarHBondContact O-N 2.81Å; W592-Y599 HydrophobicContact CH2-CD2 4.16Å; W592-Y599 HydrophobicContact CH2-CE2 4.06Å; W592-Y599 AromaticContact CZ3-CD2 3.68Å; W592-Y599 HydrophobicContact CZ3-CD2 3.68Å; W592-Y599 AromaticContact CZ3-CE2 3.99Å; W592-Y599 HydrophobicContact CZ3-CE2 3.99Å; W592-Y599 HydrophobicContact CZ3-CG 4.45Å; W592-L618 HydrophobicContact CH2-CD2 4.12Å; W592-L621 HydrophobicContact CH2-CD1 3.9Å; W592-L621 HydrophobicContact CZ2-CD1 3.78Å; W592-L626 PolarHBondContact NE1-O 2.78Å; W592-V627 HydrophobicContact CH2-CG1 4.2Å; W592-V627 HydrophobicContact CH2-CG2 4.11Å; W592-V627 HydrophobicContact CZ2-CB 4.06Å; W592-V627 HydrophobicContact CZ2-CG1 4.11Å; W592-V627 HydrophobicContact CZ2-CG2 3.75Å; W592-I631 HydrophobicContact CB-CD1 3.4Å; W592-I631 VanDerWaalsContact CB-CD1 3.4Å; W592-I631 HydrophobicContact CD2-CD1 3.72Å; W592-I631 HydrophobicContact CD2-CG2 4.37Å; W592-I631 HydrophobicContact CE3-CD1 3.92Å; W592-I631 HydrophobicContact CE3-CG2 3.77Å; W592-I631 HydrophobicContact CG-CD1 3.51Å; W592-I631 HydrophobicContact CH2-CG2 4.45Å; W592-I631 HydrophobicContact CZ3-CG2 3.81Å; W592-L635 HydrophobicContact CZ3-CD1 4.48Å |
| 593 | C | 85.2 | Confident | 87.1 | Confident | 107 Ų | 107 | 37.1 Ų | 37.1 | 72% | 0.723 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.9 | -31.7 | 175.2 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | Q590 S591 | Q590-C593 PolarHBondContact O-N 3.35Å; Q590-C593 PolarHBondContact O-SG 2.87Å; S591-C593 VanDerWaalsContact C-N 3.29Å; S591-C593 PolarHBondContact O-N 2.81Å |
| 594 | V | 86.1 | Confident | 87.1 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -90.6 | -42.5 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 111 | L557 S591 W592 P597 L598 | L557-V594 HydrophobicContact CD2-CB 4.23Å; L557-V594 HydrophobicContact CD2-CG1 4.14Å; S591-V594 PolarHBondContact O-N 3.22Å; S591-V594 VanDerWaalsContact O-N 3.13Å; W592-V594 PolarHBondContact O-N 3.15Å; V594-P597 WeakPolarHBondContact O-CD 3.47Å; V594-L598 HydrophobicContact CG1-CD1 4.14Å; V594-L598 WeakPolarHBondContact O-CD1 3.42Å; V594-L598 WeakPolarHBondContact O-CG 3.32Å |
| 595 | L | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.7 | -31.5 | -173.3 | -67.7 | 175.1 | 0 | 0 | 0 | 113.5 | L557 F576 T584 S591 W592 L598 Y599 | L557-L595 HydrophobicContact CD1-CD2 3.96Å; F576-L595 HydrophobicContact CZ-CD2 4.32Å; T584-L595 WeakPolarHBondContact OG1-CD1 3.36Å; S591-L595 WeakPolarHBondContact O-CB 3.36Å; S591-L595 VanDerWaalsContact O-CG 3.32Å; S591-L595 WeakPolarHBondContact O-CG 3.41Å; S591-L595 PolarHBondContact O-N 3.25Å; W592-L595 HydrophobicContact CE3-CB 4.22Å; W592-L595 PolarHBondContact O-N 3.02Å; L595-L598 CarbonylContact O-C 3.49Å; L595-L598 WeakPolarHBondContact O-CB 3.32Å; L595-L598 PolarHBondContact O-N 3.17Å; L595-Y599 HydrophobicContact CB-CD2 4.03Å; L595-Y599 HydrophobicContact CB-CE2 4.06Å; L595-Y599 VanDerWaalsContact O-CD2 3.29Å; L595-Y599 WeakPolarHBondContact O-CD2 3.28Å; L595-Y599 PolarHBondContact O-N 2.86Å |
| 596 | F | 90.1 | Very high | 86.9 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.7 | -52.1 | -174.8 | 169.4 | -111 | 0 | 0 | 0 | 113.2 | W592 L598 Y599 Q600 I631 D634 L635 | W592-F596 HydrophobicContact CE3-CB 4.34Å; W592-F596 WeakPolarHBondContact O-CB 3.46Å; W592-F596 PolarHBondContact O-N 2.81Å; F596-L598 PolarHBondContact O-N 3.37Å; F596-Y599 PolarHBondContact O-N 3.28Å; F596-Q600 HydrophobicContact CE2-CG 4.17Å; F596-Q600 HydrophobicContact CZ-CG 4.3Å; F596-Q600 PolarHBondContact O-N 2.95Å; F596-Q600 VanDerWaalsContact O-N 3.11Å; F596-I631 HydrophobicContact CD2-CG2 3.7Å; F596-I631 HydrophobicContact CE2-CG2 4.29Å; F596-I631 HydrophobicContact CG-CG2 4.48Å; F596-D634 HydrophobicContact CE2-CB 3.89Å; F596-D634 HydrophobicContact CZ-CB 3.78Å; F596-L635 HydrophobicContact CD2-CD2 4.12Å; F596-L635 HydrophobicContact CD2-CG 4.28Å; F596-L635 HydrophobicContact CE2-CD2 3.98Å; F596-L635 HydrophobicContact CE2-CG 4.08Å |
| 597 | P | 89.8 | Confident | 87.1 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -33.9 | 173.9 | -24.4 | 34 | 0 | 0 | 0 | 113.5 | V594 Q600 Q601 | V594-P597 WeakPolarHBondContact O-CD 3.47Å; P597-Q600 WeakPolarHBondContact O-CB 3.16Å; P597-Q600 PolarHBondContact O-N 3.49Å; P597-Q601 PolarHBondContact O-N 3.49Å |
| 598 | L | 92.2 | Very high | 87.4 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.6 | -35.5 | -178.5 | -56.5 | 177.5 | 0 | 0 | 0 | 112.3 | V561 L564 F576 F577 V594 L595 F596 Q601 G602 | V561-L598 HydrophobicContact CG1-CD1 4.14Å; V561-L598 HydrophobicContact CG1-CD2 4.36Å; V561-L598 HydrophobicContact CG2-CD1 3.63Å; L564-L598 HydrophobicContact CD1-CB 3.88Å; L564-L598 HydrophobicContact CD1-CD1 4.46Å; L564-L598 HydrophobicContact CD1-CD2 3.85Å; L564-L598 HydrophobicContact CD1-CG 4.27Å; F576-L598 HydrophobicContact CE1-CB 4.17Å; F576-L598 HydrophobicContact CE2-CD1 4.29Å; F576-L598 HydrophobicContact CZ-CB 4.04Å; F576-L598 HydrophobicContact CZ-CD1 3.69Å; F576-L598 HydrophobicContact CZ-CG 4.48Å; F577-L598 WeakPolarHBondContact CZ-O 3.17Å; V594-L598 HydrophobicContact CG1-CD1 4.14Å; V594-L598 WeakPolarHBondContact O-CD1 3.42Å; V594-L598 WeakPolarHBondContact O-CG 3.32Å; L595-L598 CarbonylContact O-C 3.49Å; L595-L598 WeakPolarHBondContact O-CB 3.32Å; L595-L598 PolarHBondContact O-N 3.17Å; F596-L598 PolarHBondContact O-N 3.37Å; L598-Q601 WeakPolarHBondContact O-CB 3.47Å; L598-Q601 PolarHBondContact O-N 3.33Å; L598-G602 PolarHBondContact O-N 2.85Å |
| 599 | Y | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 169.7 | -86.9 | -76.1 | 0 | 0 | 0 | 111.7 | F577 C580 W592 L595 F596 Q601 G602 L603 T614 S617 L618 L621 | F577-Y599 HydrophobicContact CD1-CD1 4.19Å; F577-Y599 AromaticContact CD1-CE1 3.94Å; F577-Y599 HydrophobicContact CD1-CE1 3.94Å; F577-Y599 HydrophobicContact CE1-CD1 4.09Å; F577-Y599 HydrophobicContact CE1-CE1 4.29Å; C580-Y599 HydrophobicContact CB-CE2 4.33Å; C580-Y599 WeakPolarHBondContact CB-OH 3.26Å; W592-Y599 HydrophobicContact CH2-CD2 4.16Å; W592-Y599 HydrophobicContact CH2-CE2 4.06Å; W592-Y599 AromaticContact CZ3-CD2 3.68Å; W592-Y599 HydrophobicContact CZ3-CD2 3.68Å; W592-Y599 AromaticContact CZ3-CE2 3.99Å; W592-Y599 HydrophobicContact CZ3-CE2 3.99Å; W592-Y599 HydrophobicContact CZ3-CG 4.45Å; L595-Y599 HydrophobicContact CB-CD2 4.03Å; L595-Y599 HydrophobicContact CB-CE2 4.06Å; L595-Y599 VanDerWaalsContact O-CD2 3.29Å; L595-Y599 WeakPolarHBondContact O-CD2 3.28Å; L595-Y599 PolarHBondContact O-N 2.86Å; F596-Y599 PolarHBondContact O-N 3.28Å; Y599-Q601 VanDerWaalsContact C-N 3.28Å; Y599-Q601 PolarHBondContact O-N 3.01Å; Y599-G602 PolarHBondContact O-N 2.88Å; Y599-L603 WeakPolarHBondContact O-CG 3.34Å; Y599-L603 PolarHBondContact O-N 3.23Å; Y599-T614 HydrophobicContact CD1-CG2 3.62Å; Y599-T614 HydrophobicContact CE1-CG2 4.2Å; Y599-S617 PolarHBondContact OH-OG 3.02Å; Y599-L618 HydrophobicContact CD1-CD1 4.07Å; Y599-L618 HydrophobicContact CD1-CD2 3.42Å; Y599-L618 VanDerWaalsContact CD1-CD2 3.42Å; Y599-L618 HydrophobicContact CD1-CG 3.52Å; Y599-L618 HydrophobicContact CD2-CD2 4.44Å; Y599-L618 HydrophobicContact CE1-CD2 3.56Å; Y599-L618 HydrophobicContact CE1-CG 3.59Å; Y599-L618 HydrophobicContact CG-CD2 3.92Å; Y599-L618 HydrophobicContact CG-CG 4.45Å; Y599-L621 HydrophobicContact CE2-CD1 4.06Å; Y599-L621 WeakPolarHBondContact OH-CD1 3.18Å |
| 600 | Q | 90.6 | Very high | 88.3 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 172 | -65.9 | -170.9 | -64 | 0 | 0 | 111.4 | F596 P597 R604 L635 D638 | F596-Q600 HydrophobicContact CE2-CG 4.17Å; F596-Q600 HydrophobicContact CZ-CG 4.3Å; F596-Q600 PolarHBondContact O-N 2.95Å; F596-Q600 VanDerWaalsContact O-N 3.11Å; P597-Q600 WeakPolarHBondContact O-CB 3.16Å; P597-Q600 PolarHBondContact O-N 3.49Å; Q600-R604 WeakPolarHBondContact O-CB 3.43Å; Q600-R604 WeakPolarHBondContact O-CD 3.34Å; Q600-R604 WeakPolarHBondContact O-CG 3.41Å; Q600-R604 PolarHBondContact O-N 2.88Å; Q600-L635 HydrophobicContact CG-CD2 4.17Å; Q600-D638 PolarHBondContact NE2-OD2 2.95Å |
| 601 | Q | 88.5 | Confident | 89 | Confident | 54 Ų | 54 | 34.8 Ų | 34.8 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 173.7 | -176.5 | 176.1 | -11.5 | 0 | 0 | 111.9 | P597 L598 Y599 R604 D605 | P597-Q601 PolarHBondContact O-N 3.49Å; L598-Q601 WeakPolarHBondContact O-CB 3.47Å; L598-Q601 PolarHBondContact O-N 3.33Å; Y599-Q601 VanDerWaalsContact C-N 3.28Å; Y599-Q601 PolarHBondContact O-N 3.01Å; Q601-R604 CarbonylContact O-C 3.58Å; Q601-R604 PolarHBondContact O-N 3.1Å; Q601-D605 PolarHBondContact O-N 2.7Å |
| 602 | G | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L598 Y599 R604 D605 T614 | L598-G602 PolarHBondContact O-N 2.85Å; Y599-G602 PolarHBondContact O-N 2.88Å; G602-R604 PolarHBondContact O-N 3.39Å; G602-D605 VanDerWaalsContact O-CB 3.24Å; G602-D605 WeakPolarHBondContact O-CB 3.03Å; G602-D605 PolarHBondContact O-N 3.25Å; G602-T614 WeakPolarHBondContact CA-OG1 3.45Å |
| 603 | L | 90.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.3 | -19.4 | 174.4 | -69.4 | 173.1 | 0 | 0 | 0 | 112.5 | Y599 T614 F615 L618 L635 D638 I639 F642 | Y599-L603 WeakPolarHBondContact O-CG 3.34Å; Y599-L603 PolarHBondContact O-N 3.23Å; L603-T614 HydrophobicContact CD2-CG2 3.98Å; L603-T614 HydrophobicContact CG-CG2 3.89Å; L603-F615 HydrophobicContact CD2-CD1 4.32Å; L603-F615 HydrophobicContact CD2-CE1 3.91Å; L603-F615 HydrophobicContact CD2-CE2 4.13Å; L603-F615 HydrophobicContact CD2-CZ 3.81Å; L603-L618 HydrophobicContact CD1-CD1 4.32Å; L603-L618 HydrophobicContact CD2-CD1 4.44Å; L603-L635 HydrophobicContact CD1-CD2 4.16Å; L603-D638 HydrophobicContact CD1-CB 3.91Å; L603-I639 HydrophobicContact CD1-CD1 4.11Å; L603-I639 HydrophobicContact CD1-CG1 3.64Å; L603-I639 HydrophobicContact CD2-CG1 4.1Å; L603-F642 VanDerWaalsContact O-CZ 3.31Å; L603-F642 WeakPolarHBondContact O-CZ 3.31Å |
| 604 | R | 87.1 | Confident | 90.3 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.4 | -179.5 | -62.6 | 179.8 | -177.9 | 165 | 2.1 | 112.8 | Q600 Q601 G602 D638 N781 | Q600-R604 WeakPolarHBondContact O-CB 3.43Å; Q600-R604 WeakPolarHBondContact O-CD 3.34Å; Q600-R604 WeakPolarHBondContact O-CG 3.41Å; Q600-R604 PolarHBondContact O-N 2.88Å; Q601-R604 CarbonylContact O-C 3.58Å; Q601-R604 PolarHBondContact O-N 3.1Å; G602-R604 PolarHBondContact O-N 3.39Å; R604-D638 IonicContact CZ-OD1 2.67Å; R604-D638 IonicContact NE-OD1 2.75Å; R604-D638 PolarHBondContact NE-OD1 3.4Å; R604-D638 IonicContact NH2-OD1 3.28Å; R604-D638 PolarHBondContact NH2-OD1 3.1Å; R604-D638 IonicContact NH2-OD2 2.95Å; R604-N781 HydrophobicContact CG-CB 4.37Å; R604-N781 VanDerWaalsContact CG-OD1 3.31Å; R604-N781 WeakPolarHBondContact CG-OD1 3.14Å; R604-N781 PolarHBondContact NE-OD1 2.73Å |
| 605 | D | 88.3 | Confident | 90.7 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | trans | -69.3 | 155.8 | -178 | -158.9 | -73.9 | 0 | 0 | 0 | 112 | R573 Q601 G602 E607 V610 I611 | R573-D605 IonicContact CZ-OD1 2.81Å; R573-D605 IonicContact CZ-OD2 3.98Å; R573-D605 IonicContact NH1-OD1 3.09Å; R573-D605 PolarHBondContact NH1-OD1 3.31Å; R573-D605 IonicContact NH1-OD2 3.38Å; R573-D605 PolarHBondContact NH1-OD2 2.95Å; Q601-D605 PolarHBondContact O-N 2.7Å; G602-D605 VanDerWaalsContact O-CB 3.24Å; G602-D605 WeakPolarHBondContact O-CB 3.03Å; G602-D605 PolarHBondContact O-N 3.25Å; D605-E607 PolarHBondContact OD1-N 3.08Å; D605-V610 HydrophobicContact CB-CB 4.11Å; D605-V610 HydrophobicContact CB-CG1 3.99Å; D605-I611 HydrophobicContact CB-CG1 4.08Å; D605-I611 WeakPolarHBondContact O-CD1 3.49Å | ||
| 606 | C | 83.7 | Confident | 90.8 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -80.8 | -20.8 | 176.7 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | V785 | C606-V785 HydrophobicContact CB-CG1 3.91Å; C606-V785 HydrophobicContact CB-CG2 4.49Å |
| 607 | E | 87.2 | Confident | 91 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -99.2 | 116.9 | -178.2 | -71.7 | -65.3 | 156.1 | 0 | 0 | 110.9 | W570 D605 N609 V610 I611 | W570-E607 HydrophobicContact CB-CB 4.19Å; W570-E607 HydrophobicContact CB-CG 3.76Å; W570-E607 HydrophobicContact CG-CG 4.37Å; D605-E607 PolarHBondContact OD1-N 3.08Å; E607-N609 PolarHBondContact O-N 2.84Å; E607-N609 VanDerWaalsContact O-N 3.11Å; E607-V610 HydrophobicContact CB-CB 4.36Å; E607-V610 HydrophobicContact CB-CG2 3.85Å; E607-V610 WeakPolarHBondContact O-CB 3.38Å; E607-V610 PolarHBondContact O-N 3.18Å; E607-I611 PolarHBondContact O-N 3.39Å |
| 608 | E | 89.3 | Confident | 91.2 | Very high | 63 Ų | 63 | 28.5 Ų | 28.5 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -57.7 | -31.3 | -177.6 | -64.8 | -174 | 165.6 | 0 | 0 | 112.6 | V610 I611 F612 H645 N647 L650 | E608-V610 VanDerWaalsContact C-N 3.34Å; E608-V610 PolarHBondContact O-N 3.35Å; E608-I611 PolarHBondContact O-N 3.13Å; E608-F612 WeakPolarHBondContact O-CB 3.33Å; E608-F612 PolarHBondContact O-N 3.02Å; E608-H645 IonicContact OE1-CE1 3.32Å; E608-N647 PolarHBondContact OE2-ND2 2.81Å; E608-L650 HydrophobicContact CB-CD1 4.27Å; E608-L650 HydrophobicContact CG-CD1 4.28Å |
| 609 | N | 90.1 | Very high | 91 | Very high | 78 Ų | 78 | 30.3 Ų | 30.3 | 42% | 0.417 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 176.5 | -69.1 | -30.2 | 0 | 0 | 0 | 112.5 | W570 Y574 E607 F612 A613 | W570-N609 HydrophobicContact CE3-CB 3.75Å; W570-N609 HydrophobicContact CH2-CB 4.01Å; W570-N609 WeakPolarHBondContact CH2-ND2 3.33Å; W570-N609 HydrophobicContact CZ3-CB 3.41Å; W570-N609 VanDerWaalsContact CZ3-CB 3.41Å; Y574-N609 HydrophobicContact CD2-CB 4.45Å; Y574-N609 VanDerWaalsContact CD2-O 3.31Å; Y574-N609 WeakPolarHBondContact CD2-O 3.41Å; E607-N609 PolarHBondContact O-N 2.84Å; E607-N609 VanDerWaalsContact O-N 3.11Å; N609-F612 PolarHBondContact O-N 2.92Å; N609-A613 PolarHBondContact O-N 3.46Å |
| 610 | V | 91.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.4 | -46.1 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | W570 R573 F577 D605 E607 E608 F612 A613 T614 | W570-V610 HydrophobicContact CB-CG2 4.13Å; W570-V610 HydrophobicContact CE3-CG2 4.42Å; R573-V610 HydrophobicContact CB-CG1 4.03Å; R573-V610 HydrophobicContact CB-CG2 3.95Å; F577-V610 HydrophobicContact CD2-CG1 3.89Å; F577-V610 HydrophobicContact CE2-CG1 3.65Å; D605-V610 HydrophobicContact CB-CB 4.11Å; D605-V610 HydrophobicContact CB-CG1 3.99Å; E607-V610 HydrophobicContact CB-CB 4.36Å; E607-V610 HydrophobicContact CB-CG2 3.85Å; E607-V610 WeakPolarHBondContact O-CB 3.38Å; E607-V610 PolarHBondContact O-N 3.18Å; E608-V610 VanDerWaalsContact C-N 3.34Å; E608-V610 PolarHBondContact O-N 3.35Å; V610-F612 VanDerWaalsContact C-N 3.25Å; V610-F612 PolarHBondContact O-N 3.48Å; V610-A613 WeakPolarHBondContact O-CB 3.44Å; V610-A613 PolarHBondContact O-N 2.96Å; V610-A613 VanDerWaalsContact O-N 3.07Å; V610-T614 PolarHBondContact O-N 2.97Å; V610-T614 PolarHBondContact O-OG1 3.13Å |
| 611 | I | 92.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 174.6 | -53.5 | 175 | 0 | 0 | 0 | 110.4 | D605 E607 E608 T614 F615 F642 L650 | D605-I611 HydrophobicContact CB-CG1 4.08Å; D605-I611 WeakPolarHBondContact O-CD1 3.49Å; E607-I611 PolarHBondContact O-N 3.39Å; E608-I611 PolarHBondContact O-N 3.13Å; I611-T614 WeakPolarHBondContact O-CB 3.34Å; I611-T614 PolarHBondContact O-N 3.18Å; I611-F615 HydrophobicContact CG2-CD2 3.91Å; I611-F615 HydrophobicContact CG2-CE2 3.65Å; I611-F615 WeakPolarHBondContact O-CD2 3.19Å; I611-F615 PolarHBondContact O-N 3.18Å; I611-F642 HydrophobicContact CD1-CE1 4.18Å; I611-F642 HydrophobicContact CD1-CZ 4.31Å; I611-F642 HydrophobicContact CG2-CE1 3.8Å; I611-F642 HydrophobicContact CG2-CZ 3.83Å; I611-L650 HydrophobicContact CB-CD1 4.44Å; I611-L650 HydrophobicContact CB-CD2 4.05Å; I611-L650 HydrophobicContact CD1-CD1 4.35Å; I611-L650 HydrophobicContact CG2-CD1 4.25Å; I611-L650 HydrophobicContact CG2-CD2 3.9Å |
| 612 | F | 94.3 | Very high | 90.8 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.3 | 177.7 | -100.4 | 0 | 0 | 0 | 112.1 | E608 N609 V610 T614 F615 Q616 M649 L650 | E608-F612 WeakPolarHBondContact O-CB 3.33Å; E608-F612 PolarHBondContact O-N 3.02Å; N609-F612 PolarHBondContact O-N 2.92Å; V610-F612 VanDerWaalsContact C-N 3.25Å; V610-F612 PolarHBondContact O-N 3.48Å; F612-T614 VanDerWaalsContact C-N 3.31Å; F612-T614 PolarHBondContact O-N 3.41Å; F612-F615 PolarHBondContact O-N 3.26Å; F612-Q616 PolarHBondContact O-N 3.49Å; F612-M649 HydrophobicContact CD2-CB 3.9Å; F612-M649 HydrophobicContact CE2-CB 3.98Å; F612-L650 HydrophobicContact CB-CD2 3.84Å |
| 613 | A | 93.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y574 F577 N609 V610 F615 Q616 S617 | Y574-A613 HydrophobicContact CD2-CB 3.47Å; Y574-A613 VanDerWaalsContact CD2-CB 3.47Å; Y574-A613 HydrophobicContact CE2-CB 3.59Å; Y574-A613 HydrophobicContact CG-CB 4.04Å; F577-A613 HydrophobicContact CB-CB 3.98Å; N609-A613 PolarHBondContact O-N 3.46Å; V610-A613 WeakPolarHBondContact O-CB 3.44Å; V610-A613 PolarHBondContact O-N 2.96Å; V610-A613 VanDerWaalsContact O-N 3.07Å; A613-F615 VanDerWaalsContact C-N 3.35Å; A613-Q616 PolarHBondContact O-N 3.49Å; A613-S617 WeakPolarHBondContact O-CB 3.45Å; A613-S617 PolarHBondContact O-N 3.4Å |
| 614 | T | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 173.8 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | F577 Y599 G602 L603 V610 I611 F612 S617 L618 | F577-T614 HydrophobicContact CD1-CG2 3.97Å; F577-T614 VanDerWaalsContact CD2-OG1 3.29Å; F577-T614 WeakPolarHBondContact CD2-OG1 3.25Å; F577-T614 HydrophobicContact CE1-CG2 3.82Å; F577-T614 VanDerWaalsContact CE2-OG1 3.27Å; F577-T614 WeakPolarHBondContact CE2-OG1 2.99Å; F577-T614 HydrophobicContact CZ-CG2 4.28Å; F577-T614 WeakPolarHBondContact CZ-OG1 3.44Å; Y599-T614 HydrophobicContact CD1-CG2 3.62Å; Y599-T614 HydrophobicContact CE1-CG2 4.2Å; G602-T614 WeakPolarHBondContact CA-OG1 3.45Å; L603-T614 HydrophobicContact CD2-CG2 3.98Å; L603-T614 HydrophobicContact CG-CG2 3.89Å; V610-T614 PolarHBondContact O-N 2.97Å; V610-T614 PolarHBondContact O-OG1 3.13Å; I611-T614 WeakPolarHBondContact O-CB 3.34Å; I611-T614 PolarHBondContact O-N 3.18Å; F612-T614 VanDerWaalsContact C-N 3.31Å; F612-T614 PolarHBondContact O-N 3.41Å; T614-S617 WeakPolarHBondContact O-CB 3.48Å; T614-S617 PolarHBondContact O-N 2.87Å; T614-L618 HydrophobicContact CG2-CD1 4.41Å; T614-L618 WeakPolarHBondContact O-CB 3.16Å; T614-L618 WeakPolarHBondContact O-CG 3.42Å; T614-L618 PolarHBondContact O-N 2.98Å |
| 615 | F | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.9 | -83.2 | -59.4 | 0 | 0 | 0 | 112.8 | L603 I611 F612 A613 S617 L618 F619 I639 F642 L650 A654 | L603-F615 HydrophobicContact CD2-CD1 4.32Å; L603-F615 HydrophobicContact CD2-CE1 3.91Å; L603-F615 HydrophobicContact CD2-CE2 4.13Å; L603-F615 HydrophobicContact CD2-CZ 3.81Å; I611-F615 HydrophobicContact CG2-CD2 3.91Å; I611-F615 HydrophobicContact CG2-CE2 3.65Å; I611-F615 WeakPolarHBondContact O-CD2 3.19Å; I611-F615 PolarHBondContact O-N 3.18Å; F612-F615 PolarHBondContact O-N 3.26Å; A613-F615 VanDerWaalsContact C-N 3.35Å; F615-S617 VanDerWaalsContact C-N 3.29Å; F615-S617 PolarHBondContact O-N 3.03Å; F615-L618 PolarHBondContact O-N 3.36Å; F615-F619 WeakPolarHBondContact O-CB 3.34Å; F615-F619 PolarHBondContact O-N 3.43Å; F615-I639 HydrophobicContact CE1-CB 4.26Å; F615-I639 HydrophobicContact CE1-CD1 4.22Å; F615-I639 HydrophobicContact CE1-CG1 3.82Å; F615-I639 HydrophobicContact CE1-CG2 3.71Å; F615-I639 HydrophobicContact CZ-CG1 4.36Å; F615-I639 HydrophobicContact CZ-CG2 4.26Å; F615-F642 HydrophobicContact CE2-CB 4.45Å; F615-F642 HydrophobicContact CE2-CD1 4.15Å; F615-F642 HydrophobicContact CE2-CD2 4.28Å; F615-F642 HydrophobicContact CE2-CE1 4.47Å; F615-F642 HydrophobicContact CE2-CG 4.04Å; F615-F642 HydrophobicContact CZ-CB 4.06Å; F615-F642 HydrophobicContact CZ-CD1 4.4Å; F615-F642 AromaticContact CZ-CD2 3.8Å; F615-F642 HydrophobicContact CZ-CD2 3.8Å; F615-F642 HydrophobicContact CZ-CE2 4.32Å; F615-F642 AromaticContact CZ-CG 3.83Å; F615-F642 HydrophobicContact CZ-CG 3.83Å; F615-L650 HydrophobicContact CD2-CD2 4.15Å; F615-L650 HydrophobicContact CE2-CB 4.44Å; F615-L650 HydrophobicContact CE2-CD2 4.39Å; F615-A654 HydrophobicContact CE1-CB 4.07Å; F615-A654 HydrophobicContact CZ-CB 4.05Å |
| 616 | Q | 92.7 | Very high | 90 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 178.3 | -173.2 | 177.4 | -5.3 | 0 | 0 | 111.1 | F612 A613 F619 E620 | F612-Q616 PolarHBondContact O-N 3.49Å; A613-Q616 PolarHBondContact O-N 3.49Å; Q616-F619 PolarHBondContact O-N 2.98Å; Q616-E620 PolarHBondContact O-N 3.03Å |
| 617 | S | 94.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 177.2 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | F577 P581 Y599 A613 T614 F615 F619 E620 L621 | F577-S617 WeakPolarHBondContact O-CB 3.4Å; F577-S617 PolarHBondContact O-OG 2.8Å; P581-S617 WeakPolarHBondContact CD-OG 3.25Å; Y599-S617 PolarHBondContact OH-OG 3.02Å; A613-S617 WeakPolarHBondContact O-CB 3.45Å; A613-S617 PolarHBondContact O-N 3.4Å; T614-S617 WeakPolarHBondContact O-CB 3.48Å; T614-S617 PolarHBondContact O-N 2.87Å; F615-S617 VanDerWaalsContact C-N 3.29Å; F615-S617 PolarHBondContact O-N 3.03Å; S617-F619 VanDerWaalsContact C-N 3.33Å; S617-F619 PolarHBondContact O-N 3.23Å; S617-E620 PolarHBondContact O-N 2.98Å; S617-L621 WeakPolarHBondContact O-CG 3.41Å; S617-L621 PolarHBondContact O-N 3.45Å |
| 618 | L | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 176.2 | -76.4 | 175.4 | 0 | 0 | 0 | 112.5 | W592 Y599 L603 T614 F615 L621 S622 L635 I639 F657 | W592-L618 HydrophobicContact CH2-CD2 4.12Å; Y599-L618 HydrophobicContact CD1-CD1 4.07Å; Y599-L618 HydrophobicContact CD1-CD2 3.42Å; Y599-L618 VanDerWaalsContact CD1-CD2 3.42Å; Y599-L618 HydrophobicContact CD1-CG 3.52Å; Y599-L618 HydrophobicContact CD2-CD2 4.44Å; Y599-L618 HydrophobicContact CE1-CD2 3.56Å; Y599-L618 HydrophobicContact CE1-CG 3.59Å; Y599-L618 HydrophobicContact CG-CD2 3.92Å; Y599-L618 HydrophobicContact CG-CG 4.45Å; L603-L618 HydrophobicContact CD1-CD1 4.32Å; L603-L618 HydrophobicContact CD2-CD1 4.44Å; T614-L618 HydrophobicContact CG2-CD1 4.41Å; T614-L618 WeakPolarHBondContact O-CB 3.16Å; T614-L618 WeakPolarHBondContact O-CG 3.42Å; T614-L618 PolarHBondContact O-N 2.98Å; F615-L618 PolarHBondContact O-N 3.36Å; L618-L621 PolarHBondContact O-N 3.15Å; L618-S622 WeakPolarHBondContact O-CB 3.34Å; L618-S622 PolarHBondContact O-N 2.97Å; L618-S622 PolarHBondContact O-OG 2.66Å; L618-L635 HydrophobicContact CD1-CD1 4.4Å; L618-L635 HydrophobicContact CD2-CD1 3.73Å; L618-I639 HydrophobicContact CD1-CD1 3.92Å; L618-F657 HydrophobicContact CB-CD2 3.79Å; L618-F657 HydrophobicContact CB-CE2 3.93Å; L618-F657 HydrophobicContact CD1-CE2 4.41Å; L618-F657 HydrophobicContact CD2-CE2 4.34Å; L618-F657 HydrophobicContact CG-CE2 4.47Å |
| 619 | F | 89.7 | Confident | 89.8 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 25% | 0.254 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.9 | -43 | 177.3 | 177.4 | -99.5 | 0 | 0 | 0 | 112.3 | F615 Q616 S617 S622 K623 | F615-F619 WeakPolarHBondContact O-CB 3.34Å; F615-F619 PolarHBondContact O-N 3.43Å; Q616-F619 PolarHBondContact O-N 2.98Å; S617-F619 VanDerWaalsContact C-N 3.33Å; S617-F619 PolarHBondContact O-N 3.23Å; F619-S622 PolarHBondContact O-N 3.16Å; F619-S622 PolarHBondContact O-OG 3.26Å; F619-K623 WeakPolarHBondContact O-CB 3.34Å; F619-K623 PolarHBondContact O-N 2.97Å |
| 620 | E | 89.2 | Confident | 89.6 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 174.9 | -70.8 | -60.4 | 158.5 | 0 | 0 | 111.4 | P581 Q616 S617 S622 K623 L624 | P581-E620 HydrophobicContact CB-CB 4.45Å; P581-E620 HydrophobicContact CG-CB 4.34Å; Q616-E620 PolarHBondContact O-N 3.03Å; S617-E620 PolarHBondContact O-N 2.98Å; E620-S622 VanDerWaalsContact C-N 3.34Å; E620-S622 PolarHBondContact O-N 2.89Å; E620-K623 PolarHBondContact O-N 3.1Å; E620-L624 WeakPolarHBondContact O-CG 3.39Å; E620-L624 PolarHBondContact O-N 2.99Å |
| 621 | L | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 176 | -73.4 | 178.6 | 0 | 0 | 0 | 112.8 | P581 T584 W592 Y599 S617 L618 L624 G625 L626 V627 | P581-L621 HydrophobicContact CB-CD2 4.3Å; P581-L621 HydrophobicContact CG-CG 4.49Å; T584-L621 HydrophobicContact CG2-CD2 3.83Å; W592-L621 HydrophobicContact CH2-CD1 3.9Å; W592-L621 HydrophobicContact CZ2-CD1 3.78Å; Y599-L621 HydrophobicContact CE2-CD1 4.06Å; Y599-L621 WeakPolarHBondContact OH-CD1 3.18Å; S617-L621 WeakPolarHBondContact O-CG 3.41Å; S617-L621 PolarHBondContact O-N 3.45Å; L618-L621 PolarHBondContact O-N 3.15Å; L621-L624 PolarHBondContact O-N 3.1Å; L621-G625 PolarHBondContact O-N 3.43Å; L621-G625 VanDerWaalsContact O-N 3.15Å; L621-L626 HydrophobicContact CD2-CB 4.15Å; L621-L626 HydrophobicContact CD2-CD1 4.01Å; L621-L626 PolarHBondContact O-N 2.96Å; L621-V627 HydrophobicContact CB-CG2 3.69Å |
| 622 | S | 87.6 | Confident | 89.3 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 13% | 0.126 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.8 | -36.7 | 179.1 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | L618 F619 E620 L624 G625 S660 | L618-S622 WeakPolarHBondContact O-CB 3.34Å; L618-S622 PolarHBondContact O-N 2.97Å; L618-S622 PolarHBondContact O-OG 2.66Å; F619-S622 PolarHBondContact O-N 3.16Å; F619-S622 PolarHBondContact O-OG 3.26Å; E620-S622 VanDerWaalsContact C-N 3.34Å; E620-S622 PolarHBondContact O-N 2.89Å; S622-L624 VanDerWaalsContact C-N 3.34Å; S622-G625 PolarHBondContact O-N 2.85Å; S622-G625 VanDerWaalsContact O-N 3.08Å; S622-S660 VanDerWaalsContact CB-OG 3.29Å; S622-S660 WeakPolarHBondContact CB-OG 3.22Å; S622-S660 WeakPolarHBondContact OG-CB 3.44Å; S622-S660 PolarHBondContact OG-OG 3.38Å |
| 623 | K | 85 | Confident | 89 | Confident | 146 Ų | 146 | 46.8 Ų | 46.8 | 64% | 0.635 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.4 | -37.7 | 172.8 | -175.1 | -176.2 | 175.5 | -170.6 | 0 | 112.5 | F619 E620 G625 | F619-K623 WeakPolarHBondContact O-CB 3.34Å; F619-K623 PolarHBondContact O-N 2.97Å; E620-K623 PolarHBondContact O-N 3.1Å; K623-G625 PolarHBondContact O-N 2.71Å |
| 624 | L | 85.5 | Confident | 88.7 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 48% | 0.476 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.6 | 173.9 | -67 | 171.4 | 0 | 0 | 0 | 113.4 | I585 E620 L621 S622 L626 | I585-L624 HydrophobicContact CD1-CD1 3.68Å; I585-L624 HydrophobicContact CG1-CD1 3.91Å; E620-L624 WeakPolarHBondContact O-CG 3.39Å; E620-L624 PolarHBondContact O-N 2.99Å; L621-L624 PolarHBondContact O-N 3.1Å; S622-L624 VanDerWaalsContact C-N 3.34Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 HydrophobicContact CB-CD1 3.89Å; L624-L626 HydrophobicContact CB-CG 4.02Å; L624-L626 HydrophobicContact CD1-CD1 4.11Å; L624-L626 PolarHBondContact O-N 2.95Å |
| 625 | G | 84.5 | Confident | 88.5 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 19.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L621 S622 K623 | L621-G625 PolarHBondContact O-N 3.43Å; L621-G625 VanDerWaalsContact O-N 3.15Å; S622-G625 PolarHBondContact O-N 2.85Å; S622-G625 VanDerWaalsContact O-N 3.08Å; K623-G625 PolarHBondContact O-N 2.71Å |
| 626 | L | 86.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | trans | -88.8 | -11.1 | -176.3 | -67.1 | 170 | 0 | 0 | 0 | 113.2 | T584 I585 W592 L621 L624 | T584-L626 HydrophobicContact CG2-CB 4.15Å; T584-L626 HydrophobicContact CG2-CD1 4.16Å; I585-L626 HydrophobicContact CG1-CD1 3.79Å; W592-L626 PolarHBondContact NE1-O 2.78Å; L621-L626 HydrophobicContact CD2-CB 4.15Å; L621-L626 HydrophobicContact CD2-CD1 4.01Å; L621-L626 PolarHBondContact O-N 2.96Å; L624-L626 VanDerWaalsContact C-N 3.27Å; L624-L626 HydrophobicContact CB-CD1 3.89Å; L624-L626 HydrophobicContact CB-CG 4.02Å; L624-L626 HydrophobicContact CD1-CD1 4.11Å; L624-L626 PolarHBondContact O-N 2.95Å | ||
| 627 | V | 87.1 | Confident | 88 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -82.3 | 116.1 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | W592 L621 I631 A632 | W592-V627 HydrophobicContact CH2-CG1 4.2Å; W592-V627 HydrophobicContact CH2-CG2 4.11Å; W592-V627 HydrophobicContact CZ2-CB 4.06Å; W592-V627 HydrophobicContact CZ2-CG1 4.11Å; W592-V627 HydrophobicContact CZ2-CG2 3.75Å; L621-V627 HydrophobicContact CB-CG2 3.69Å; V627-I631 HydrophobicContact CG1-CG2 4.42Å; V627-A632 HydrophobicContact CG1-CB 3.93Å |
| 628 | E | 83.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | trans | -63.7 | 145.3 | 176 | -64.2 | -167.5 | 164.4 | 0 | 0 | 111.9 | T630 I631 A632 | E628-T630 VanDerWaalsContact C-N 3.32Å; E628-T630 PolarHBondContact O-N 3.36Å; E628-I631 HydrophobicContact CB-CB 4.35Å; E628-I631 HydrophobicContact CB-CD1 3.99Å; E628-I631 HydrophobicContact CB-CG1 4.11Å; E628-I631 HydrophobicContact CG-CD1 4.33Å; E628-I631 PolarHBondContact O-N 2.95Å; E628-A632 PolarHBondContact O-N 3.4Å | ||
| 629 | R | 84.6 | Confident | 87.7 | Confident | 143 Ų | 143 | 51 Ų | 51 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | -175.2 | -74 | -174.6 | -73.9 | 169.6 | -3.4 | 113.2 | A632 F633 L665 | R629-A632 PolarHBondContact O-N 3.39Å; R629-F633 WeakPolarHBondContact O-CD2 3.42Å; R629-F633 PolarHBondContact O-N 2.82Å; R629-F633 VanDerWaalsContact O-N 3.14Å; R629-L665 HydrophobicContact CG-CD2 4.09Å |
| 630 | T | 86.3 | Confident | 87.8 | Confident | 89 Ų | 89 | 48.6 Ų | 48.6 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 177.1 | 39.8 | 0 | 0 | 0 | 0 | 110.7 | E628 A632 F633 D634 | E628-T630 VanDerWaalsContact C-N 3.32Å; E628-T630 PolarHBondContact O-N 3.36Å; T630-A632 VanDerWaalsContact C-N 3.34Å; T630-A632 PolarHBondContact O-N 2.81Å; T630-F633 WeakPolarHBondContact O-CB 3.37Å; T630-F633 PolarHBondContact O-N 3.46Å; T630-F633 VanDerWaalsContact O-N 3.09Å; T630-D634 PolarHBondContact O-N 3.1Å; T630-D634 VanDerWaalsContact O-N 3.13Å |
| 631 | I | 88.2 | Confident | 88 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.087 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.9 | -61.4 | -179.9 | 0 | 0 | 0 | 111.3 | W592 F596 V627 E628 F633 D634 L635 | W592-I631 HydrophobicContact CB-CD1 3.4Å; W592-I631 VanDerWaalsContact CB-CD1 3.4Å; W592-I631 HydrophobicContact CD2-CD1 3.72Å; W592-I631 HydrophobicContact CD2-CG2 4.37Å; W592-I631 HydrophobicContact CE3-CD1 3.92Å; W592-I631 HydrophobicContact CE3-CG2 3.77Å; W592-I631 HydrophobicContact CG-CD1 3.51Å; W592-I631 HydrophobicContact CH2-CG2 4.45Å; W592-I631 HydrophobicContact CZ3-CG2 3.81Å; F596-I631 HydrophobicContact CD2-CG2 3.7Å; F596-I631 HydrophobicContact CE2-CG2 4.29Å; F596-I631 HydrophobicContact CG-CG2 4.48Å; V627-I631 HydrophobicContact CG1-CG2 4.42Å; E628-I631 HydrophobicContact CB-CB 4.35Å; E628-I631 HydrophobicContact CB-CD1 3.99Å; E628-I631 HydrophobicContact CB-CG1 4.11Å; E628-I631 HydrophobicContact CG-CD1 4.33Å; E628-I631 PolarHBondContact O-N 2.95Å; I631-F633 VanDerWaalsContact C-N 3.29Å; I631-F633 PolarHBondContact O-N 2.97Å; I631-D634 PolarHBondContact O-N 3.14Å; I631-L635 HydrophobicContact CG2-CD1 3.89Å; I631-L635 HydrophobicContact CG2-CG 4.24Å; I631-L635 WeakPolarHBondContact O-CB 3.5Å; I631-L635 WeakPolarHBondContact O-CG 3.36Å; I631-L635 PolarHBondContact O-N 2.86Å |
| 632 | A | 88.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V627 E628 R629 T630 D634 L636 F657 T661 | V627-A632 HydrophobicContact CG1-CB 3.93Å; E628-A632 PolarHBondContact O-N 3.4Å; R629-A632 PolarHBondContact O-N 3.39Å; T630-A632 VanDerWaalsContact C-N 3.34Å; T630-A632 PolarHBondContact O-N 2.81Å; A632-D634 VanDerWaalsContact C-N 3.35Å; A632-D634 PolarHBondContact O-N 2.9Å; A632-L636 VanDerWaalsContact O-CG 3.24Å; A632-L636 WeakPolarHBondContact O-CG 3.46Å; A632-L636 PolarHBondContact O-N 2.92Å; A632-F657 HydrophobicContact CB-CZ 4.49Å; A632-T661 HydrophobicContact CB-CG2 4.07Å |
| 633 | F | 88.1 | Confident | 88.4 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | 177.6 | -76.3 | -59.5 | 0 | 0 | 0 | 114 | R629 T630 I631 L636 L665 D669 K673 K677 | R629-F633 WeakPolarHBondContact O-CD2 3.42Å; R629-F633 PolarHBondContact O-N 2.82Å; R629-F633 VanDerWaalsContact O-N 3.14Å; T630-F633 WeakPolarHBondContact O-CB 3.37Å; T630-F633 PolarHBondContact O-N 3.46Å; T630-F633 VanDerWaalsContact O-N 3.09Å; I631-F633 VanDerWaalsContact C-N 3.29Å; I631-F633 PolarHBondContact O-N 2.97Å; F633-L636 HydrophobicContact CD1-CD1 4.05Å; F633-L665 HydrophobicContact CE1-CD1 3.71Å; F633-L665 HydrophobicContact CE2-CD1 4.43Å; F633-L665 HydrophobicContact CE2-CD2 3.91Å; F633-L665 HydrophobicContact CZ-CD1 3.48Å; F633-L665 VanDerWaalsContact CZ-CD1 3.48Å; F633-L665 HydrophobicContact CZ-CD2 3.65Å; F633-L665 HydrophobicContact CZ-CG 4.23Å; F633-D669 HydrophobicContact CZ-CB 4.45Å; F633-K673 HydrophobicContact CD1-CB 4.2Å; F633-K673 HydrophobicContact CD1-CD 4.32Å; F633-K673 HydrophobicContact CD2-CD 4.49Å; F633-K673 HydrophobicContact CE1-CB 3.55Å; F633-K673 HydrophobicContact CE1-CD 3.74Å; F633-K673 HydrophobicContact CE1-CG 4.31Å; F633-K673 HydrophobicContact CE2-CD 3.95Å; F633-K673 HydrophobicContact CZ-CB 4.11Å; F633-K673 HydrophobicContact CZ-CD 3.53Å; F633-K673 HydrophobicContact CZ-CG 4.46Å; F633-K677 PolarHBondContact O-NZ 3.48Å; F633-K677 VanDerWaalsContact O-NZ 3.16Å |
| 634 | D | 88.5 | Confident | 88.8 | Confident | 77 Ų | 77 | 38.2 Ų | 38.2 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73.8 | -45.5 | 177.4 | -67.6 | -32.4 | 0 | 0 | 0 | 111.1 | F596 T630 I631 A632 L636 N637 | F596-D634 HydrophobicContact CE2-CB 3.89Å; F596-D634 HydrophobicContact CZ-CB 3.78Å; T630-D634 PolarHBondContact O-N 3.1Å; T630-D634 VanDerWaalsContact O-N 3.13Å; I631-D634 PolarHBondContact O-N 3.14Å; A632-D634 VanDerWaalsContact C-N 3.35Å; A632-D634 PolarHBondContact O-N 2.9Å; D634-L636 PolarHBondContact O-N 2.94Å; D634-N637 WeakPolarHBondContact O-CB 3.26Å; D634-N637 PolarHBondContact O-N 3.49Å; D634-N637 PolarHBondContact O-ND2 2.9Å |
| 635 | L | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.9 | -31.8 | 174.9 | -70.4 | 174.6 | 0 | 0 | 0 | 112.7 | W592 F596 Q600 L603 L618 I631 N637 D638 I639 F657 | W592-L635 HydrophobicContact CZ3-CD1 4.48Å; F596-L635 HydrophobicContact CD2-CD2 4.12Å; F596-L635 HydrophobicContact CD2-CG 4.28Å; F596-L635 HydrophobicContact CE2-CD2 3.98Å; F596-L635 HydrophobicContact CE2-CG 4.08Å; Q600-L635 HydrophobicContact CG-CD2 4.17Å; L603-L635 HydrophobicContact CD1-CD2 4.16Å; L618-L635 HydrophobicContact CD1-CD1 4.4Å; L618-L635 HydrophobicContact CD2-CD1 3.73Å; I631-L635 HydrophobicContact CG2-CD1 3.89Å; I631-L635 HydrophobicContact CG2-CG 4.24Å; I631-L635 WeakPolarHBondContact O-CB 3.5Å; I631-L635 WeakPolarHBondContact O-CG 3.36Å; I631-L635 PolarHBondContact O-N 2.86Å; L635-N637 PolarHBondContact O-N 2.93Å; L635-N637 VanDerWaalsContact O-N 3.17Å; L635-D638 PolarHBondContact O-N 2.82Å; L635-I639 HydrophobicContact CB-CD1 4.09Å; L635-I639 WeakPolarHBondContact O-CB 3.13Å; L635-I639 VanDerWaalsContact O-CG1 3.29Å; L635-I639 WeakPolarHBondContact O-CG1 3.38Å; L635-I639 PolarHBondContact O-N 3.29Å; L635-F657 HydrophobicContact CB-CE1 4.49Å; L635-F657 HydrophobicContact CB-CZ 4.38Å; L635-F657 HydrophobicContact CD1-CZ 4.36Å |
| 636 | L | 89 | Confident | 89.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -29.1 | 174.8 | -80.3 | 170 | 0 | 0 | 0 | 112.9 | A632 F633 D634 D638 I639 V640 F657 I658 T661 L674 | A632-L636 VanDerWaalsContact O-CG 3.24Å; A632-L636 WeakPolarHBondContact O-CG 3.46Å; A632-L636 PolarHBondContact O-N 2.92Å; F633-L636 HydrophobicContact CD1-CD1 4.05Å; D634-L636 PolarHBondContact O-N 2.94Å; L636-D638 VanDerWaalsContact C-N 3.3Å; L636-D638 PolarHBondContact O-N 3.37Å; L636-I639 PolarHBondContact O-N 3.09Å; L636-V640 HydrophobicContact CD2-CG2 4.35Å; L636-V640 WeakPolarHBondContact O-CB 3.14Å; L636-V640 WeakPolarHBondContact O-CG2 3.38Å; L636-V640 PolarHBondContact O-N 3.04Å; L636-F657 HydrophobicContact CD2-CD1 4.25Å; L636-F657 HydrophobicContact CD2-CE1 4.18Å; L636-F657 HydrophobicContact CG-CE1 4.31Å; L636-I658 HydrophobicContact CD2-CG1 3.74Å; L636-T661 HydrophobicContact CD1-CG2 4.2Å; L636-L674 HydrophobicContact CD1-CD1 3.51Å; L636-L674 HydrophobicContact CD2-CD1 3.87Å; L636-L674 HydrophobicContact CG-CD1 4.35Å |
| 637 | N | 87.7 | Confident | 89.7 | Confident | 92 Ų | 92 | 32.3 Ų | 32.3 | 49% | 0.492 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.6 | -36.9 | 175.9 | -62.8 | -41.2 | 0 | 0 | 0 | 111.8 | D634 L635 P641 K677 | D634-N637 WeakPolarHBondContact O-CB 3.26Å; D634-N637 PolarHBondContact O-N 3.49Å; D634-N637 PolarHBondContact O-ND2 2.9Å; L635-N637 PolarHBondContact O-N 2.93Å; L635-N637 VanDerWaalsContact O-N 3.17Å; N637-P641 WeakPolarHBondContact O-CD 3.33Å; N637-K677 WeakPolarHBondContact OD1-CE 3.43Å; N637-K677 PolarHBondContact OD1-NZ 3.43Å |
| 638 | D | 88.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -80.3 | -29.6 | 178.3 | -66.8 | -61 | 0 | 0 | 0 | 112 | Q600 L603 R604 L635 L636 F642 | Q600-D638 PolarHBondContact NE2-OD2 2.95Å; L603-D638 HydrophobicContact CD1-CB 3.91Å; R604-D638 IonicContact CZ-OD1 2.67Å; R604-D638 IonicContact NE-OD1 2.75Å; R604-D638 PolarHBondContact NE-OD1 3.4Å; R604-D638 IonicContact NH2-OD1 3.28Å; R604-D638 PolarHBondContact NH2-OD1 3.1Å; R604-D638 IonicContact NH2-OD2 2.95Å; L635-D638 PolarHBondContact O-N 2.82Å; L636-D638 VanDerWaalsContact C-N 3.3Å; L636-D638 PolarHBondContact O-N 3.37Å; D638-F642 WeakPolarHBondContact O-CD2 3.43Å; D638-F642 WeakPolarHBondContact O-CE2 3.26Å |
| 639 | I | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -86.9 | -41.8 | -173 | -69.5 | 171 | 0 | 0 | 0 | 113.6 | L603 F615 L618 L635 L636 P641 F642 A654 F657 | L603-I639 HydrophobicContact CD1-CD1 4.11Å; L603-I639 HydrophobicContact CD1-CG1 3.64Å; L603-I639 HydrophobicContact CD2-CG1 4.1Å; F615-I639 HydrophobicContact CE1-CB 4.26Å; F615-I639 HydrophobicContact CE1-CD1 4.22Å; F615-I639 HydrophobicContact CE1-CG1 3.82Å; F615-I639 HydrophobicContact CE1-CG2 3.71Å; F615-I639 HydrophobicContact CZ-CG1 4.36Å; F615-I639 HydrophobicContact CZ-CG2 4.26Å; L618-I639 HydrophobicContact CD1-CD1 3.92Å; L635-I639 HydrophobicContact CB-CD1 4.09Å; L635-I639 WeakPolarHBondContact O-CB 3.13Å; L635-I639 VanDerWaalsContact O-CG1 3.29Å; L635-I639 WeakPolarHBondContact O-CG1 3.38Å; L635-I639 PolarHBondContact O-N 3.29Å; L636-I639 PolarHBondContact O-N 3.09Å; I639-P641 VanDerWaalsContact C-N 3.33Å; I639-F642 VanDerWaalsContact O-CB 3.31Å; I639-F642 WeakPolarHBondContact O-CB 3.38Å; I639-F642 PolarHBondContact O-N 3.1Å; I639-A654 HydrophobicContact CG2-CB 3.81Å; I639-F657 HydrophobicContact CD1-CD1 3.31Å; I639-F657 HydrophobicContact CD1-CD2 4.38Å; I639-F657 HydrophobicContact CD1-CE1 3.43Å; I639-F657 VanDerWaalsContact CD1-CE1 3.43Å; I639-F657 HydrophobicContact CD1-CE2 4.47Å; I639-F657 HydrophobicContact CD1-CG 3.82Å; I639-F657 HydrophobicContact CD1-CZ 4.03Å; I639-F657 HydrophobicContact CG2-CD1 4.26Å |
| 640 | V | 92.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -54.5 | -39.4 | -174.8 | 164.7 | 0 | 0 | 0 | 0 | 113.9 | L636 F642 L643 I658 K677 Y681 | L636-V640 HydrophobicContact CD2-CG2 4.35Å; L636-V640 WeakPolarHBondContact O-CB 3.14Å; L636-V640 WeakPolarHBondContact O-CG2 3.38Å; L636-V640 PolarHBondContact O-N 3.04Å; V640-F642 PolarHBondContact O-N 2.88Å; V640-F642 VanDerWaalsContact O-N 3.13Å; V640-L643 WeakPolarHBondContact O-CB 3.46Å; V640-L643 WeakPolarHBondContact O-CG 3.41Å; V640-L643 PolarHBondContact O-N 3.21Å; V640-L643 VanDerWaalsContact O-N 3.12Å; V640-I658 HydrophobicContact CG2-CD1 4.23Å; V640-K677 WeakPolarHBondContact CG1-O 3.36Å; V640-K677 HydrophobicContact CG2-CB 4.44Å; V640-Y681 HydrophobicContact CG1-CD2 3.65Å; V640-Y681 HydrophobicContact CG1-CE2 3.3Å; V640-Y681 HydrophobicContact CG1-CG 4.41Å |
| 641 | P | 92 | Very high | 91.1 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -53.7 | -32.6 | 175 | -28.9 | 37.4 | 0 | 0 | 0 | 113.8 | N637 I639 L643 R644 F778 | N637-P641 WeakPolarHBondContact O-CD 3.33Å; I639-P641 VanDerWaalsContact C-N 3.33Å; P641-L643 PolarHBondContact O-N 3.28Å; P641-L643 VanDerWaalsContact O-N 3.08Å; P641-R644 PolarHBondContact O-N 3.35Å; P641-F778 VanDerWaalsContact C-CE2 3.44Å; P641-F778 HydrophobicContact CB-CD1 4.12Å; P641-F778 HydrophobicContact CB-CD2 3.78Å; P641-F778 HydrophobicContact CB-CE1 3.9Å; P641-F778 HydrophobicContact CB-CE2 3.55Å; P641-F778 HydrophobicContact CB-CG 4.07Å; P641-F778 HydrophobicContact CB-CZ 3.63Å; P641-F778 WeakPolarHBondContact O-CE2 3.02Å; P641-F778 WeakPolarHBondContact O-CZ 3.1Å |
| 642 | F | 94.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -62.5 | -16.9 | -179.5 | -72.8 | -86.9 | 0 | 0 | 0 | 114.4 | L603 I611 F615 D638 I639 V640 R644 H645 L650 R651 A654 F778 | L603-F642 VanDerWaalsContact O-CZ 3.31Å; L603-F642 WeakPolarHBondContact O-CZ 3.31Å; I611-F642 HydrophobicContact CD1-CE1 4.18Å; I611-F642 HydrophobicContact CD1-CZ 4.31Å; I611-F642 HydrophobicContact CG2-CE1 3.8Å; I611-F642 HydrophobicContact CG2-CZ 3.83Å; F615-F642 HydrophobicContact CE2-CB 4.45Å; F615-F642 HydrophobicContact CE2-CD1 4.15Å; F615-F642 HydrophobicContact CE2-CD2 4.28Å; F615-F642 HydrophobicContact CE2-CE1 4.47Å; F615-F642 HydrophobicContact CE2-CG 4.04Å; F615-F642 HydrophobicContact CZ-CB 4.06Å; F615-F642 HydrophobicContact CZ-CD1 4.4Å; F615-F642 AromaticContact CZ-CD2 3.8Å; F615-F642 HydrophobicContact CZ-CD2 3.8Å; F615-F642 HydrophobicContact CZ-CE2 4.32Å; F615-F642 AromaticContact CZ-CG 3.83Å; F615-F642 HydrophobicContact CZ-CG 3.83Å; D638-F642 WeakPolarHBondContact O-CD2 3.43Å; D638-F642 WeakPolarHBondContact O-CE2 3.26Å; I639-F642 VanDerWaalsContact O-CB 3.31Å; I639-F642 WeakPolarHBondContact O-CB 3.38Å; I639-F642 PolarHBondContact O-N 3.1Å; V640-F642 PolarHBondContact O-N 2.88Å; V640-F642 VanDerWaalsContact O-N 3.13Å; F642-R644 PolarHBondContact O-N 3.32Å; F642-R644 VanDerWaalsContact O-N 3.14Å; F642-H645 HydrophobicContact CD1-CB 4.23Å; F642-H645 VanDerWaalsContact O-CB 3.22Å; F642-H645 WeakPolarHBondContact O-CB 3.25Å; F642-H645 PolarHBondContact O-N 2.84Å; F642-L650 HydrophobicContact CD1-CB 4.13Å; F642-L650 HydrophobicContact CD1-CD1 4.26Å; F642-L650 HydrophobicContact CE1-CD1 4.12Å; F642-R651 WeakPolarHBondContact O-CG 3.19Å; F642-A654 HydrophobicContact CB-CB 3.81Å; F642-F778 HydrophobicContact CB-CZ 4.5Å; F642-F778 HydrophobicContact CD1-CE1 4.12Å; F642-F778 HydrophobicContact CD1-CZ 4.02Å; F642-F778 HydrophobicContact CD2-CE1 4.11Å; F642-F778 HydrophobicContact CD2-CZ 4.3Å; F642-F778 AromaticContact CE1-CE1 3.97Å; F642-F778 HydrophobicContact CE1-CE1 3.97Å; F642-F778 HydrophobicContact CE1-CZ 4.31Å; F642-F778 AromaticContact CE2-CE1 3.98Å; F642-F778 HydrophobicContact CE2-CE1 3.98Å; F642-F778 HydrophobicContact CG-CE1 4.2Å; F642-F778 HydrophobicContact CG-CZ 4.02Å; F642-F778 AromaticContact CZ-CE1 3.9Å; F642-F778 HydrophobicContact CZ-CE1 3.9Å |
| 643 | L | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -59.1 | -24.1 | 175 | -66.7 | 178.9 | 0 | 0 | 0 | 113.8 | V640 P641 R651 A654 V655 I658 I678 Y681 L699 | V640-L643 WeakPolarHBondContact O-CB 3.46Å; V640-L643 WeakPolarHBondContact O-CG 3.41Å; V640-L643 PolarHBondContact O-N 3.21Å; V640-L643 VanDerWaalsContact O-N 3.12Å; P641-L643 PolarHBondContact O-N 3.28Å; P641-L643 VanDerWaalsContact O-N 3.08Å; L643-R651 WeakPolarHBondContact O-CD 3.2Å; L643-A654 HydrophobicContact CD2-CB 4.13Å; L643-V655 HydrophobicContact CD2-CG2 3.58Å; L643-I658 HydrophobicContact CD1-CD1 3.88Å; L643-I658 HydrophobicContact CD2-CD1 3.99Å; L643-I658 HydrophobicContact CG-CD1 4.13Å; L643-I678 HydrophobicContact CD1-CG2 4.29Å; L643-Y681 HydrophobicContact CB-CD1 4.23Å; L643-Y681 HydrophobicContact CB-CG 4.44Å; L643-Y681 HydrophobicContact CD1-CG 4.3Å; L643-L699 HydrophobicContact CB-CD1 4.38Å; L643-L699 HydrophobicContact CB-CD2 4.18Å; L643-L699 HydrophobicContact CD1-CD2 4.2Å; L643-L699 HydrophobicContact CD2-CD1 4.06Å; L643-L699 HydrophobicContact CD2-CD2 4.04Å; L643-L699 HydrophobicContact CG-CD2 4.38Å |
| 644 | R | 93.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -106.9 | 6.5 | 176.9 | -68.6 | -81 | -59.6 | -111 | 15 | 113.4 | P641 F642 Y681 E701 P702 V703 E770 V774 | P641-R644 PolarHBondContact O-N 3.35Å; F642-R644 PolarHBondContact O-N 3.32Å; F642-R644 VanDerWaalsContact O-N 3.14Å; R644-Y681 HydrophobicContact CG-CD1 3.61Å; R644-Y681 HydrophobicContact CG-CE1 4.21Å; R644-E701 WeakPolarHBondContact CD-O 3.15Å; R644-E701 PolarHBondContact NE-O 3.35Å; R644-E701 PolarHBondContact NH2-O 3.21Å; R644-E701 VanDerWaalsContact NH2-O 3.07Å; R644-P702 WeakPolarHBondContact O-CA 3.12Å; R644-V703 PolarHBondContact O-N 2.86Å; R644-E770 IonicContact CZ-OE2 3.71Å; R644-E770 IonicContact NH1-OE2 2.69Å; R644-E770 PolarHBondContact NH1-OE2 3.17Å; R644-E770 VanDerWaalsContact NH1-OE2 3.08Å; R644-E770 IonicContact NH2-OE2 3.4Å; R644-V774 HydrophobicContact CB-CG1 3.86Å; R644-V774 HydrophobicContact CB-CG2 3.81Å; R644-V774 HydrophobicContact CG-CG2 3.88Å |
| 645 | H | 93.5 | Very high | 92 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.032 | 12% | 0.12 | C | C | . | . | trans | -65.5 | 144.1 | -178.8 | -168 | -89.5 | 0 | 0 | 0 | 111.8 | E608 F642 N647 R651 W708 F778 | E608-H645 IonicContact OE1-CE1 3.32Å; F642-H645 HydrophobicContact CD1-CB 4.23Å; F642-H645 VanDerWaalsContact O-CB 3.22Å; F642-H645 WeakPolarHBondContact O-CB 3.25Å; F642-H645 PolarHBondContact O-N 2.84Å; H645-N647 VanDerWaalsContact C-N 3.34Å; H645-N647 WeakPolarHBondContact ND1-CB 3.42Å; H645-N647 PolarHBondContact ND1-N 3.35Å; H645-N647 PolarHBondContact O-N 2.81Å; H645-R651 HydrophobicContact CB-CG 4.42Å; H645-R651 WeakPolarHBondContact O-CD 3.42Å; H645-R651 WeakPolarHBondContact O-CG 3.4Å; H645-R651 PolarHBondContact O-NE 3.09Å; H645-R651 VanDerWaalsContact O-NE 3.08Å; H645-W708 AromaticContact CD2-CH2 3.62Å; H645-W708 AromaticContact CD2-CZ2 3.48Å; H645-W708 VanDerWaalsContact CD2-CZ2 3.48Å; H645-W708 WeakPolarHBondContact CD2-CZ2 3.5Å; H645-W708 AromaticContact NE2-CE2 3.71Å; H645-W708 AromaticContact NE2-CZ2 3.38Å; H645-W708 WeakPolarHBondContact NE2-CZ2 3.41Å; H645-W708 AromaticContact NE2-NE1 3.98Å; H645-F778 HydrophobicContact CB-CZ 4.45Å | ||
| 646 | P | 91.3 | Very high | 92 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 15% | 0.149 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -61.7 | -36.4 | 179.3 | 21.7 | -34.4 | 0 | 0 | 0 | 113.8 | L648 K705 W708 | P646-L648 PolarHBondContact O-N 2.75Å; P646-K705 HydrophobicContact CB-CB 4.05Å; P646-K705 HydrophobicContact CB-CG 4.41Å; P646-W708 HydrophobicContact CG-CB 3.97Å; P646-W708 HydrophobicContact CG-CD2 3.88Å; P646-W708 HydrophobicContact CG-CE3 4.43Å; P646-W708 HydrophobicContact CG-CG 3.65Å |
| 647 | N | 90.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 23.4 Ų | 23.4 | 24% | 0.241 | 12% | 0.124 | C | C | . | . | trans | -71.2 | 120.1 | 177.6 | -171.1 | -35.7 | 0 | 0 | 0 | 111.2 | E608 H645 M649 L650 R651 | E608-N647 PolarHBondContact OE2-ND2 2.81Å; H645-N647 VanDerWaalsContact C-N 3.34Å; H645-N647 WeakPolarHBondContact ND1-CB 3.42Å; H645-N647 PolarHBondContact ND1-N 3.35Å; H645-N647 PolarHBondContact O-N 2.81Å; N647-M649 WeakPolarHBondContact OD1-CB 3.29Å; N647-M649 PolarHBondContact OD1-N 3.26Å; N647-L650 HydrophobicContact CB-CB 4.42Å; N647-L650 HydrophobicContact CB-CD1 4.2Å; N647-L650 HydrophobicContact CB-CG 4.08Å; N647-R651 PolarHBondContact O-N 3.18Å | ||
| 648 | L | 91.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 19 Ų | 19 | 41% | 0.408 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 179.4 | 177.9 | 61.9 | 0 | 0 | 0 | 113 | P646 L650 R651 I652 | P646-L648 PolarHBondContact O-N 2.75Å; L648-L650 VanDerWaalsContact C-N 3.33Å; L648-L650 PolarHBondContact O-N 3.03Å; L648-R651 WeakPolarHBondContact O-CB 2.91Å; L648-R651 PolarHBondContact O-N 2.91Å; L648-I652 HydrophobicContact CD1-CD1 4.15Å; L648-I652 HydrophobicContact CD1-CG1 4.21Å; L648-I652 HydrophobicContact CD2-CD1 4.46Å; L648-I652 HydrophobicContact CG-CD1 3.88Å; L648-I652 HydrophobicContact CG-CG1 4.38Å; L648-I652 WeakPolarHBondContact O-CG1 3.4Å; L648-I652 PolarHBondContact O-N 2.71Å |
| 649 | M | 91.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 18.5 Ų | 18.5 | 45% | 0.448 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -65 | -38.4 | -177.7 | -66.2 | -61.5 | 118.7 | 0 | 0 | 111.6 | F612 N647 I652 G653 | F612-M649 HydrophobicContact CD2-CB 3.9Å; F612-M649 HydrophobicContact CE2-CB 3.98Å; N647-M649 WeakPolarHBondContact OD1-CB 3.29Å; N647-M649 PolarHBondContact OD1-N 3.26Å; M649-I652 HydrophobicContact CE-CD1 3.85Å; M649-I652 PolarHBondContact O-N 3.32Å; M649-I652 HydrophobicContact SD-CD1 4.42Å; M649-G653 PolarHBondContact O-N 2.72Å |
| 650 | L | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.1 | -37.2 | 174.9 | -58.3 | -172.5 | 0 | 0 | 0 | 111.9 | E608 I611 F612 F615 F642 N647 L648 G653 A654 | E608-L650 HydrophobicContact CB-CD1 4.27Å; E608-L650 HydrophobicContact CG-CD1 4.28Å; I611-L650 HydrophobicContact CB-CD1 4.44Å; I611-L650 HydrophobicContact CB-CD2 4.05Å; I611-L650 HydrophobicContact CD1-CD1 4.35Å; I611-L650 HydrophobicContact CG2-CD1 4.25Å; I611-L650 HydrophobicContact CG2-CD2 3.9Å; F612-L650 HydrophobicContact CB-CD2 3.84Å; F615-L650 HydrophobicContact CD2-CD2 4.15Å; F615-L650 HydrophobicContact CE2-CB 4.44Å; F615-L650 HydrophobicContact CE2-CD2 4.39Å; F642-L650 HydrophobicContact CD1-CB 4.13Å; F642-L650 HydrophobicContact CD1-CD1 4.26Å; F642-L650 HydrophobicContact CE1-CD1 4.12Å; N647-L650 HydrophobicContact CB-CB 4.42Å; N647-L650 HydrophobicContact CB-CD1 4.2Å; N647-L650 HydrophobicContact CB-CG 4.08Å; L648-L650 VanDerWaalsContact C-N 3.33Å; L648-L650 PolarHBondContact O-N 3.03Å; L650-G653 PolarHBondContact O-N 3.43Å; L650-A654 PolarHBondContact O-N 2.96Å |
| 651 | R | 94.3 | Very high | 92 | Very high | 38 Ų | 38 | 19.4 Ų | 19.4 | 14% | 0.143 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 172.1 | -79.6 | -171.9 | -68 | 157 | 0.3 | 111.9 | F642 L643 H645 N647 L648 A654 V655 | F642-R651 WeakPolarHBondContact O-CG 3.19Å; L643-R651 WeakPolarHBondContact O-CD 3.2Å; H645-R651 HydrophobicContact CB-CG 4.42Å; H645-R651 WeakPolarHBondContact O-CD 3.42Å; H645-R651 WeakPolarHBondContact O-CG 3.4Å; H645-R651 PolarHBondContact O-NE 3.09Å; H645-R651 VanDerWaalsContact O-NE 3.08Å; N647-R651 PolarHBondContact O-N 3.18Å; L648-R651 WeakPolarHBondContact O-CB 2.91Å; L648-R651 PolarHBondContact O-N 2.91Å; R651-A654 PolarHBondContact O-N 3.14Å; R651-V655 WeakPolarHBondContact O-CG2 3.39Å; R651-V655 PolarHBondContact O-N 3.04Å |
| 652 | I | 92.2 | Very high | 91.8 | Very high | 56 Ų | 56 | 19.7 Ų | 19.7 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 175.9 | -67.4 | 167.8 | 0 | 0 | 0 | 109.7 | L648 M649 A654 V655 S656 L696 | L648-I652 HydrophobicContact CD1-CD1 4.15Å; L648-I652 HydrophobicContact CD1-CG1 4.21Å; L648-I652 HydrophobicContact CD2-CD1 4.46Å; L648-I652 HydrophobicContact CG-CD1 3.88Å; L648-I652 HydrophobicContact CG-CG1 4.38Å; L648-I652 WeakPolarHBondContact O-CG1 3.4Å; L648-I652 PolarHBondContact O-N 2.71Å; M649-I652 HydrophobicContact CE-CD1 3.85Å; M649-I652 PolarHBondContact O-N 3.32Å; M649-I652 HydrophobicContact SD-CD1 4.42Å; I652-A654 VanDerWaalsContact C-N 3.32Å; I652-A654 PolarHBondContact O-N 3.01Å; I652-V655 WeakPolarHBondContact O-CB 3.33Å; I652-V655 PolarHBondContact O-N 2.74Å; I652-V655 VanDerWaalsContact O-N 3.1Å; I652-S656 PolarHBondContact O-N 3.32Å; I652-S656 PolarHBondContact O-OG 3.05Å; I652-S656 VanDerWaalsContact O-OG 3.08Å; I652-L696 HydrophobicContact CG1-CD1 4.34Å; I652-L696 HydrophobicContact CG1-CD2 4.2Å |
| 653 | G | 92.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.5 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M649 L650 S656 F657 | M649-G653 PolarHBondContact O-N 2.72Å; L650-G653 PolarHBondContact O-N 3.43Å; G653-S656 PolarHBondContact O-N 3.13Å; G653-F657 PolarHBondContact O-N 3.5Å |
| 654 | A | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F615 I639 F642 L643 L650 R651 I652 F657 I658 | F615-A654 HydrophobicContact CE1-CB 4.07Å; F615-A654 HydrophobicContact CZ-CB 4.05Å; I639-A654 HydrophobicContact CG2-CB 3.81Å; F642-A654 HydrophobicContact CB-CB 3.81Å; L643-A654 HydrophobicContact CD2-CB 4.13Å; L650-A654 PolarHBondContact O-N 2.96Å; R651-A654 PolarHBondContact O-N 3.14Å; I652-A654 VanDerWaalsContact C-N 3.32Å; I652-A654 PolarHBondContact O-N 3.01Å; A654-F657 PolarHBondContact O-N 3.23Å; A654-I658 WeakPolarHBondContact O-CB 3.48Å; A654-I658 WeakPolarHBondContact O-CD1 3.16Å; A654-I658 VanDerWaalsContact O-CG1 3.24Å; A654-I658 WeakPolarHBondContact O-CG1 3.35Å; A654-I658 PolarHBondContact O-N 3.3Å |
| 655 | V | 93.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -48.7 | 176 | 163.5 | 0 | 0 | 0 | 0 | 111.2 | L643 R651 I652 F657 I658 C659 E692 L695 L696 L699 | L643-V655 HydrophobicContact CD2-CG2 3.58Å; R651-V655 WeakPolarHBondContact O-CG2 3.39Å; R651-V655 PolarHBondContact O-N 3.04Å; I652-V655 WeakPolarHBondContact O-CB 3.33Å; I652-V655 PolarHBondContact O-N 2.74Å; I652-V655 VanDerWaalsContact O-N 3.1Å; V655-F657 PolarHBondContact O-N 3.4Å; V655-I658 PolarHBondContact O-N 3.32Å; V655-C659 WeakPolarHBondContact O-CB 3.45Å; V655-C659 PolarHBondContact O-N 2.9Å; V655-C659 PolarHBondContact O-SG 3.11Å; V655-E692 HydrophobicContact CG1-CB 3.95Å; V655-E692 HydrophobicContact CG1-CG 4.28Å; V655-E692 WeakPolarHBondContact CG1-O 3.49Å; V655-L695 HydrophobicContact CB-CD2 4.39Å; V655-L695 HydrophobicContact CG1-CB 4.18Å; V655-L695 HydrophobicContact CG1-CD2 4.08Å; V655-L695 HydrophobicContact CG1-CG 4.3Å; V655-L695 HydrophobicContact CG2-CD2 4.1Å; V655-L695 HydrophobicContact CG2-CG 4.15Å; V655-L696 HydrophobicContact CG2-CD1 4.28Å; V655-L699 HydrophobicContact CG2-CD1 4.03Å |
| 656 | S | 91.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | -178.7 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | I652 G653 S660 E692 | I652-S656 PolarHBondContact O-N 3.32Å; I652-S656 PolarHBondContact O-OG 3.05Å; I652-S656 VanDerWaalsContact O-OG 3.08Å; G653-S656 PolarHBondContact O-N 3.13Å; S656-S660 VanDerWaalsContact O-CB 3.26Å; S656-S660 WeakPolarHBondContact O-CB 3.46Å; S656-S660 PolarHBondContact O-N 3.14Å; S656-E692 WeakPolarHBondContact CB-OE2 3.49Å; S656-E692 PolarHBondContact OG-OE2 3.31Å |
| 657 | F | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.3 | -176.5 | -97.1 | 0 | 0 | 0 | 112.4 | L618 A632 L635 L636 I639 G653 A654 V655 S660 T661 | L618-F657 HydrophobicContact CB-CD2 3.79Å; L618-F657 HydrophobicContact CB-CE2 3.93Å; L618-F657 HydrophobicContact CD1-CE2 4.41Å; L618-F657 HydrophobicContact CD2-CE2 4.34Å; L618-F657 HydrophobicContact CG-CE2 4.47Å; A632-F657 HydrophobicContact CB-CZ 4.49Å; L635-F657 HydrophobicContact CB-CE1 4.49Å; L635-F657 HydrophobicContact CB-CZ 4.38Å; L635-F657 HydrophobicContact CD1-CZ 4.36Å; L636-F657 HydrophobicContact CD2-CD1 4.25Å; L636-F657 HydrophobicContact CD2-CE1 4.18Å; L636-F657 HydrophobicContact CG-CE1 4.31Å; I639-F657 HydrophobicContact CD1-CD1 3.31Å; I639-F657 HydrophobicContact CD1-CD2 4.38Å; I639-F657 HydrophobicContact CD1-CE1 3.43Å; I639-F657 VanDerWaalsContact CD1-CE1 3.43Å; I639-F657 HydrophobicContact CD1-CE2 4.47Å; I639-F657 HydrophobicContact CD1-CG 3.82Å; I639-F657 HydrophobicContact CD1-CZ 4.03Å; I639-F657 HydrophobicContact CG2-CD1 4.26Å; G653-F657 PolarHBondContact O-N 3.5Å; A654-F657 PolarHBondContact O-N 3.23Å; V655-F657 PolarHBondContact O-N 3.4Å; F657-S660 PolarHBondContact O-N 3.05Å; F657-T661 WeakPolarHBondContact CE1-OG1 3.2Å; F657-T661 WeakPolarHBondContact O-CB 3.19Å; F657-T661 PolarHBondContact O-N 3.17Å; F657-T661 PolarHBondContact O-OG1 3.47Å |
| 658 | I | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 177.6 | -75.8 | 166.8 | 0 | 0 | 0 | 111.1 | L636 V640 L643 A654 V655 S660 T661 A662 L674 I678 I689 L695 | L636-I658 HydrophobicContact CD2-CG1 3.74Å; V640-I658 HydrophobicContact CG2-CD1 4.23Å; L643-I658 HydrophobicContact CD1-CD1 3.88Å; L643-I658 HydrophobicContact CD2-CD1 3.99Å; L643-I658 HydrophobicContact CG-CD1 4.13Å; A654-I658 WeakPolarHBondContact O-CB 3.48Å; A654-I658 WeakPolarHBondContact O-CD1 3.16Å; A654-I658 VanDerWaalsContact O-CG1 3.24Å; A654-I658 WeakPolarHBondContact O-CG1 3.35Å; A654-I658 PolarHBondContact O-N 3.3Å; V655-I658 PolarHBondContact O-N 3.32Å; I658-S660 VanDerWaalsContact C-N 3.34Å; I658-S660 PolarHBondContact O-N 3.15Å; I658-T661 PolarHBondContact O-N 3.04Å; I658-A662 WeakPolarHBondContact O-CB 3.4Å; I658-A662 PolarHBondContact O-N 3.34Å; I658-L674 HydrophobicContact CG2-CD1 4.42Å; I658-L674 HydrophobicContact CG2-CD2 4.4Å; I658-I678 HydrophobicContact CD1-CD1 4.43Å; I658-I678 HydrophobicContact CD1-CG1 4.48Å; I658-I678 HydrophobicContact CG2-CD1 3.42Å; I658-I678 VanDerWaalsContact CG2-CD1 3.42Å; I658-I689 HydrophobicContact CG2-CG2 4.14Å; I658-L695 HydrophobicContact CB-CD2 4.39Å; I658-L695 HydrophobicContact CG2-CD2 3.8Å |
| 659 | C | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.7 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | V655 A662 K663 E692 | V655-C659 WeakPolarHBondContact O-CB 3.45Å; V655-C659 PolarHBondContact O-N 2.9Å; V655-C659 PolarHBondContact O-SG 3.11Å; C659-A662 PolarHBondContact O-N 3.41Å; C659-K663 VanDerWaalsContact O-CG 3.29Å; C659-K663 WeakPolarHBondContact O-CG 3.3Å; C659-K663 PolarHBondContact O-N 2.81Å; C659-E692 HydrophobicContact CB-CG 3.77Å |
| 660 | S | 88.3 | Confident | 89.4 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | S622 S656 F657 I658 A662 K663 A664 | S622-S660 VanDerWaalsContact CB-OG 3.29Å; S622-S660 WeakPolarHBondContact CB-OG 3.22Å; S622-S660 WeakPolarHBondContact OG-CB 3.44Å; S622-S660 PolarHBondContact OG-OG 3.38Å; S656-S660 VanDerWaalsContact O-CB 3.26Å; S656-S660 WeakPolarHBondContact O-CB 3.46Å; S656-S660 PolarHBondContact O-N 3.14Å; F657-S660 PolarHBondContact O-N 3.05Å; I658-S660 VanDerWaalsContact C-N 3.34Å; I658-S660 PolarHBondContact O-N 3.15Å; S660-A662 PolarHBondContact O-N 3.02Å; S660-K663 PolarHBondContact O-N 3.48Å; S660-A664 PolarHBondContact O-N 3.2Å; S660-A664 VanDerWaalsContact O-N 3.15Å |
| 661 | T | 87.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 42 Ų | 42 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.7 | -56 | 0 | 0 | 0 | 0 | 111.3 | A632 L636 F657 I658 K663 A664 L665 | A632-T661 HydrophobicContact CB-CG2 4.07Å; L636-T661 HydrophobicContact CD1-CG2 4.2Å; F657-T661 WeakPolarHBondContact CE1-OG1 3.2Å; F657-T661 WeakPolarHBondContact O-CB 3.19Å; F657-T661 PolarHBondContact O-N 3.17Å; F657-T661 PolarHBondContact O-OG1 3.47Å; I658-T661 PolarHBondContact O-N 3.04Å; T661-K663 VanDerWaalsContact C-N 3.31Å; T661-K663 PolarHBondContact O-N 3.45Å; T661-A664 PolarHBondContact O-N 2.94Å; T661-A664 VanDerWaalsContact O-N 3.16Å; T661-L665 HydrophobicContact CG2-CD1 3.8Å; T661-L665 HydrophobicContact CG2-CG 4.33Å; T661-L665 VanDerWaalsContact O-CG 3.24Å; T661-L665 WeakPolarHBondContact O-CG 3.06Å; T661-L665 PolarHBondContact O-N 3.25Å |
| 662 | A | 89.5 | Confident | 88.9 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I658 C659 S660 A664 L665 V670 L674 I689 | I658-A662 WeakPolarHBondContact O-CB 3.4Å; I658-A662 PolarHBondContact O-N 3.34Å; C659-A662 PolarHBondContact O-N 3.41Å; S660-A662 PolarHBondContact O-N 3.02Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 2.98Å; A662-L665 PolarHBondContact O-N 3.5Å; A662-V670 HydrophobicContact CB-CG2 4.33Å; A662-L674 HydrophobicContact CB-CD2 3.64Å; A662-I689 HydrophobicContact CB-CB 4.36Å; A662-I689 WeakPolarHBondContact CB-O 3.34Å |
| 663 | K | 86.9 | Confident | 88.7 | Confident | 135 Ų | 135 | 47.1 Ų | 47.1 | 59% | 0.587 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66 | -32.1 | 176.5 | -72.5 | 168.7 | -175.9 | 171.4 | 0 | 113.1 | C659 S660 T661 D690 | C659-K663 VanDerWaalsContact O-CG 3.29Å; C659-K663 WeakPolarHBondContact O-CG 3.3Å; C659-K663 PolarHBondContact O-N 2.81Å; S660-K663 PolarHBondContact O-N 3.48Å; T661-K663 VanDerWaalsContact C-N 3.31Å; T661-K663 PolarHBondContact O-N 3.45Å; K663-D690 WeakPolarHBondContact CE-O 3.43Å; K663-D690 PolarHBondContact NZ-O 3.36Å; K663-D690 VanDerWaalsContact NZ-O 3.15Å |
| 664 | A | 83.3 | Confident | 88.6 | Confident | 76 Ų | 76 | 46.6 Ų | 46.6 | 63% | 0.628 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -82.1 | -12.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S660 T661 A662 | S660-A664 PolarHBondContact O-N 3.2Å; S660-A664 VanDerWaalsContact O-N 3.15Å; T661-A664 PolarHBondContact O-N 2.94Å; T661-A664 VanDerWaalsContact O-N 3.16Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 2.98Å |
| 665 | L | 84.6 | Confident | 88.3 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -99.7 | 156.4 | -176.5 | -70.5 | 174.7 | 0 | 0 | 0 | 112.3 | R629 F633 T661 A662 D669 V670 | R629-L665 HydrophobicContact CG-CD2 4.09Å; F633-L665 HydrophobicContact CE1-CD1 3.71Å; F633-L665 HydrophobicContact CE2-CD1 4.43Å; F633-L665 HydrophobicContact CE2-CD2 3.91Å; F633-L665 HydrophobicContact CZ-CD1 3.48Å; F633-L665 VanDerWaalsContact CZ-CD1 3.48Å; F633-L665 HydrophobicContact CZ-CD2 3.65Å; F633-L665 HydrophobicContact CZ-CG 4.23Å; T661-L665 HydrophobicContact CG2-CD1 3.8Å; T661-L665 HydrophobicContact CG2-CG 4.33Å; T661-L665 VanDerWaalsContact O-CG 3.24Å; T661-L665 WeakPolarHBondContact O-CG 3.06Å; T661-L665 PolarHBondContact O-N 3.25Å; A662-L665 PolarHBondContact O-N 3.5Å; L665-D669 HydrophobicContact CB-CB 4.2Å; L665-D669 HydrophobicContact CD2-CB 4.36Å; L665-V670 HydrophobicContact CB-CG2 3.9Å |
| 666 | R | 85.7 | Confident | 88.1 | Confident | 182 Ų | 182 | 50.8 Ų | 50.8 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | trans | -70.6 | 149.4 | 170.5 | -62.9 | 178 | -175.7 | 172.7 | 0.8 | 109.1 | C668 D669 V670 | R666-C668 PolarHBondContact O-N 2.76Å; R666-C668 VanDerWaalsContact O-N 3.12Å; R666-D669 WeakPolarHBondContact O-CA 3.11Å; R666-D669 WeakPolarHBondContact O-CB 3.34Å; R666-D669 PolarHBondContact O-N 3Å; R666-V670 PolarHBondContact O-N 3.01Å | ||
| 667 | L | 84.6 | Confident | 87.9 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 56% | 0.555 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -52.4 | -39.8 | -179.4 | -172.2 | 64.5 | 0 | 0 | 0 | 112.9 | D669 V670 H671 | L667-D669 PolarHBondContact O-N 3.45Å; L667-V670 WeakPolarHBondContact O-CB 3.47Å; L667-V670 PolarHBondContact O-N 3.05Å; L667-H671 PolarHBondContact O-CD2 3.01Å; L667-H671 VanDerWaalsContact O-CD2 3.27Å; L667-H671 PolarHBondContact O-N 2.9Å |
| 668 | C | 86.9 | Confident | 87.9 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | R666 V670 H671 C672 | R666-C668 PolarHBondContact O-N 2.76Å; R666-C668 VanDerWaalsContact O-N 3.12Å; C668-V670 VanDerWaalsContact C-N 3.33Å; C668-H671 PolarHBondContact O-N 3.02Å; C668-C672 VanDerWaalsContact O-CB 3.26Å; C668-C672 WeakPolarHBondContact O-CB 3.45Å; C668-C672 PolarHBondContact O-N 3.33Å; C668-C672 PolarHBondContact O-SG 3.42Å |
| 669 | D | 87.9 | Confident | 87.8 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 177.3 | -69.2 | -46.9 | 0 | 0 | 0 | 110.9 | F633 L665 R666 L667 K673 L674 | F633-D669 HydrophobicContact CZ-CB 4.45Å; L665-D669 HydrophobicContact CB-CB 4.2Å; L665-D669 HydrophobicContact CD2-CB 4.36Å; R666-D669 WeakPolarHBondContact O-CA 3.11Å; R666-D669 WeakPolarHBondContact O-CB 3.34Å; R666-D669 PolarHBondContact O-N 3Å; L667-D669 PolarHBondContact O-N 3.45Å; D669-K673 WeakPolarHBondContact O-CA 3.37Å; D669-K673 VanDerWaalsContact O-CB 3.31Å; D669-K673 WeakPolarHBondContact O-CB 3.28Å; D669-K673 PolarHBondContact O-N 3.11Å; D669-L674 PolarHBondContact O-N 3.36Å |
| 670 | V | 88.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -59.9 | -50.4 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | A662 L665 R666 L667 C668 L674 M675 | A662-V670 HydrophobicContact CB-CG2 4.33Å; L665-V670 HydrophobicContact CB-CG2 3.9Å; R666-V670 PolarHBondContact O-N 3.01Å; L667-V670 WeakPolarHBondContact O-CB 3.47Å; L667-V670 PolarHBondContact O-N 3.05Å; C668-V670 VanDerWaalsContact C-N 3.33Å; V670-L674 HydrophobicContact CG1-CD2 4.36Å; V670-L674 WeakPolarHBondContact O-CA 3.25Å; V670-L674 WeakPolarHBondContact O-CB 3.44Å; V670-L674 PolarHBondContact O-N 3.34Å; V670-L674 VanDerWaalsContact O-N 3.12Å; V670-M675 HydrophobicContact CG1-CE 4.46Å; V670-M675 HydrophobicContact CG1-CG 4.39Å; V670-M675 WeakPolarHBondContact O-CG 3.43Å; V670-M675 PolarHBondContact O-N 3.42Å |
| 671 | H | 88.5 | Confident | 87.8 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | I | π-helix | trans | -72.6 | -34.4 | -178.8 | -75.3 | -75 | 0 | 0 | 0 | 114.2 | L667 C668 P676 F687 | L667-H671 PolarHBondContact O-CD2 3.01Å; L667-H671 VanDerWaalsContact O-CD2 3.27Å; L667-H671 PolarHBondContact O-N 2.9Å; C668-H671 PolarHBondContact O-N 3.02Å; H671-P676 WeakPolarHBondContact O-CD 3.5Å; H671-F687 PolarHBondContact CE1-O 3.11Å; H671-F687 PolarHBondContact NE2-O 2.99Å |
| 672 | C | 88.6 | Confident | 87.9 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 66% | 0.662 | 34% | 0.335 | S | S | * | . | I | π-helix | trans | -87.3 | -28.6 | -176 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | C668 | C668-C672 VanDerWaalsContact O-CB 3.26Å; C668-C672 WeakPolarHBondContact O-CB 3.45Å; C668-C672 PolarHBondContact O-N 3.33Å; C668-C672 PolarHBondContact O-SG 3.42Å |
| 673 | K | 86.8 | Confident | 87.9 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 45% | 0.452 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -117.4 | -38.9 | -173.4 | -61.7 | -177.1 | 174.6 | -178.9 | 0 | 114.1 | F633 D669 | F633-K673 HydrophobicContact CD1-CB 4.2Å; F633-K673 HydrophobicContact CD1-CD 4.32Å; F633-K673 HydrophobicContact CD2-CD 4.49Å; F633-K673 HydrophobicContact CE1-CB 3.55Å; F633-K673 HydrophobicContact CE1-CD 3.74Å; F633-K673 HydrophobicContact CE1-CG 4.31Å; F633-K673 HydrophobicContact CE2-CD 3.95Å; F633-K673 HydrophobicContact CZ-CB 4.11Å; F633-K673 HydrophobicContact CZ-CD 3.53Å; F633-K673 HydrophobicContact CZ-CG 4.46Å; D669-K673 WeakPolarHBondContact O-CA 3.37Å; D669-K673 VanDerWaalsContact O-CB 3.31Å; D669-K673 WeakPolarHBondContact O-CB 3.28Å; D669-K673 PolarHBondContact O-N 3.11Å |
| 674 | L | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | I | π-helix | trans | -88 | -50.4 | -174.9 | -175.8 | 62.1 | 0 | 0 | 0 | 112.1 | L636 I658 A662 D669 V670 K677 I678 | L636-L674 HydrophobicContact CD1-CD1 3.51Å; L636-L674 HydrophobicContact CD2-CD1 3.87Å; L636-L674 HydrophobicContact CG-CD1 4.35Å; I658-L674 HydrophobicContact CG2-CD1 4.42Å; I658-L674 HydrophobicContact CG2-CD2 4.4Å; A662-L674 HydrophobicContact CB-CD2 3.64Å; D669-L674 PolarHBondContact O-N 3.36Å; V670-L674 HydrophobicContact CG1-CD2 4.36Å; V670-L674 WeakPolarHBondContact O-CA 3.25Å; V670-L674 WeakPolarHBondContact O-CB 3.44Å; V670-L674 PolarHBondContact O-N 3.34Å; V670-L674 VanDerWaalsContact O-N 3.12Å; L674-K677 PolarHBondContact O-N 2.96Å; L674-K677 VanDerWaalsContact O-N 3.15Å; L674-I678 HydrophobicContact CD1-CD1 3.69Å; L674-I678 HydrophobicContact CD1-CG1 4.38Å; L674-I678 HydrophobicContact CD2-CD1 4.31Å; L674-I678 HydrophobicContact CG-CD1 3.62Å; L674-I678 PolarHBondContact O-N 3.36Å |
| 675 | M | 88.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 11% | 0.113 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.3 | -47.1 | -178.8 | -77.1 | -71.3 | -172.3 | 0 | 0 | 113.6 | V670 K677 I678 E679 F686 I689 | V670-M675 HydrophobicContact CG1-CE 4.46Å; V670-M675 HydrophobicContact CG1-CG 4.39Å; V670-M675 WeakPolarHBondContact O-CG 3.43Å; V670-M675 PolarHBondContact O-N 3.42Å; M675-K677 PolarHBondContact O-N 3.48Å; M675-K677 VanDerWaalsContact O-N 3.17Å; M675-I678 PolarHBondContact O-N 3.46Å; M675-E679 WeakPolarHBondContact O-CB 3.13Å; M675-E679 PolarHBondContact O-N 3.5Å; M675-F686 HydrophobicContact CE-CB 3.78Å; M675-F686 WeakPolarHBondContact CE-O 3.34Å; M675-F686 HydrophobicContact SD-CB 4.25Å; M675-I689 HydrophobicContact CE-CD1 3.46Å; M675-I689 VanDerWaalsContact CE-CD1 3.46Å; M675-I689 HydrophobicContact CE-CG1 3.54Å; M675-I689 HydrophobicContact CG-CD1 4.46Å; M675-I689 HydrophobicContact SD-CD1 3.47Å; M675-I689 WeakPolarHBondContact SD-CD1 3.47Å; M675-I689 HydrophobicContact SD-CG1 4.17Å |
| 676 | P | 89 | Confident | 87.1 | Confident | 67 Ų | 67 | 72 Ų | 72 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -26.8 | -178.9 | -23.5 | 35.8 | 0 | 0 | 0 | 113.3 | H671 | H671-P676 WeakPolarHBondContact O-CD 3.5Å |
| 677 | K | 88.4 | Confident | 86.8 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 27% | 0.265 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -75.9 | -33.1 | 176 | -66.9 | -171.3 | -179.2 | -171.1 | 0 | 112.4 | F633 N637 V640 L674 M675 Y681 | F633-K677 PolarHBondContact O-NZ 3.48Å; F633-K677 VanDerWaalsContact O-NZ 3.16Å; N637-K677 WeakPolarHBondContact OD1-CE 3.43Å; N637-K677 PolarHBondContact OD1-NZ 3.43Å; V640-K677 WeakPolarHBondContact CG1-O 3.36Å; V640-K677 HydrophobicContact CG2-CB 4.44Å; L674-K677 PolarHBondContact O-N 2.96Å; L674-K677 VanDerWaalsContact O-N 3.15Å; M675-K677 PolarHBondContact O-N 3.48Å; M675-K677 VanDerWaalsContact O-N 3.17Å; K677-Y681 WeakPolarHBondContact O-CD2 3.47Å |
| 678 | I | 90.2 | Very high | 86.6 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -89.2 | -30 | -175.5 | -62 | 167.2 | 0 | 0 | 0 | 111.9 | L643 I658 L674 M675 P680 Y681 V682 I689 L695 | L643-I678 HydrophobicContact CD1-CG2 4.29Å; I658-I678 HydrophobicContact CD1-CD1 4.43Å; I658-I678 HydrophobicContact CD1-CG1 4.48Å; I658-I678 HydrophobicContact CG2-CD1 3.42Å; I658-I678 VanDerWaalsContact CG2-CD1 3.42Å; L674-I678 HydrophobicContact CD1-CD1 3.69Å; L674-I678 HydrophobicContact CD1-CG1 4.38Å; L674-I678 HydrophobicContact CD2-CD1 4.31Å; L674-I678 HydrophobicContact CG-CD1 3.62Å; L674-I678 PolarHBondContact O-N 3.36Å; M675-I678 PolarHBondContact O-N 3.46Å; I678-P680 VanDerWaalsContact C-N 3.3Å; I678-P680 VanDerWaalsContact O-N 3.12Å; I678-Y681 WeakPolarHBondContact O-CA 3.44Å; I678-Y681 WeakPolarHBondContact O-CB 2.85Å; I678-Y681 PolarHBondContact O-N 2.89Å; I678-V682 HydrophobicContact CG2-CG1 3.8Å; I678-V682 PolarHBondContact O-N 3.16Å; I678-I689 HydrophobicContact CD1-CD1 3.7Å; I678-L695 HydrophobicContact CG2-CD1 4.23Å |
| 679 | E | 88.8 | Confident | 86.4 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -46.7 | -41.5 | -176.6 | -170.9 | 174.1 | -168 | 0 | 0 | 114.5 | M675 Y681 V682 | M675-E679 WeakPolarHBondContact O-CB 3.13Å; M675-E679 PolarHBondContact O-N 3.5Å; E679-Y681 PolarHBondContact O-N 3.08Å; E679-Y681 VanDerWaalsContact O-N 3.16Å; E679-V682 WeakPolarHBondContact O-CG2 3.37Å; E679-V682 PolarHBondContact O-N 3.3Å |
| 680 | P | 87.4 | Confident | 85.9 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -63.1 | -22.3 | 177.5 | -23.2 | 35.1 | 0 | 0 | 0 | 114.9 | I678 K700 | I678-P680 VanDerWaalsContact C-N 3.3Å; I678-P680 VanDerWaalsContact O-N 3.12Å; P680-K700 WeakPolarHBondContact O-CE 3.26Å; P680-K700 PolarHBondContact O-NZ 2.67Å; P680-K700 VanDerWaalsContact O-NZ 3.13Å |
| 681 | Y | 91.8 | Very high | 85.7 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -99.1 | -13 | -171 | -61.1 | -92.8 | 0 | 0 | 0 | 113.6 | V640 L643 R644 K677 I678 E679 K700 S777 | V640-Y681 HydrophobicContact CG1-CD2 3.65Å; V640-Y681 HydrophobicContact CG1-CE2 3.3Å; V640-Y681 HydrophobicContact CG1-CG 4.41Å; L643-Y681 HydrophobicContact CB-CD1 4.23Å; L643-Y681 HydrophobicContact CB-CG 4.44Å; L643-Y681 HydrophobicContact CD1-CG 4.3Å; R644-Y681 HydrophobicContact CG-CD1 3.61Å; R644-Y681 HydrophobicContact CG-CE1 4.21Å; K677-Y681 WeakPolarHBondContact O-CD2 3.47Å; I678-Y681 WeakPolarHBondContact O-CA 3.44Å; I678-Y681 WeakPolarHBondContact O-CB 2.85Å; I678-Y681 PolarHBondContact O-N 2.89Å; E679-Y681 PolarHBondContact O-N 3.08Å; E679-Y681 VanDerWaalsContact O-N 3.16Å; Y681-K700 PolarHBondContact O-N 2.83Å; Y681-S777 PolarHBondContact OH-OG 3.38Å |
| 682 | V | 90.9 | Very high | 85.7 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 150.8 | 179.4 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | I678 E679 Q684 F686 L695 A698 L699 K700 | I678-V682 HydrophobicContact CG2-CG1 3.8Å; I678-V682 PolarHBondContact O-N 3.16Å; E679-V682 WeakPolarHBondContact O-CG2 3.37Å; E679-V682 PolarHBondContact O-N 3.3Å; V682-Q684 WeakPolarHBondContact CG2-O 3.3Å; V682-F686 HydrophobicContact CB-CD2 4.42Å; V682-F686 HydrophobicContact CB-CE2 4.21Å; V682-F686 HydrophobicContact CG1-CD2 4.24Å; V682-F686 HydrophobicContact CG1-CE2 3.96Å; V682-L695 HydrophobicContact CG1-CD1 3.86Å; V682-A698 WeakPolarHBondContact CA-O 3.33Å; V682-L699 HydrophobicContact CG1-CD2 4.16Å; V682-K700 WeakPolarHBondContact O-CE 2.96Å |
| 683 | K | 89.1 | Confident | 85.6 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.7 | -29.2 | 177.3 | -69.1 | 166.5 | 176.2 | 152.9 | 0 | 112.3 | A698 L699 K700 | K683-A698 WeakPolarHBondContact CB-O 3.36Å; K683-A698 WeakPolarHBondContact CG-O 3.41Å; K683-A698 PolarHBondContact N-O 3.2Å; K683-L699 WeakPolarHBondContact CD-O 3.43Å; K683-L699 WeakPolarHBondContact CE-O 3.06Å; K683-L699 PolarHBondContact NZ-O 3.36Å; K683-K700 HydrophobicContact CG-CG 4.04Å |
| 684 | Q | 83.8 | Confident | 85.6 | Confident | 138 Ų | 138 | 72.7 Ų | 72.7 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -142.2 | 147.5 | -173.7 | -64.5 | -178.7 | -2.8 | 0 | 0 | 109.5 | V682 F686 | V682-Q684 WeakPolarHBondContact CG2-O 3.3Å; Q684-F686 WeakPolarHBondContact O-CD2 3.38Å |
| 685 | P | 78.8 | Confident | 85.6 | Confident | 114 Ų | 114 | 72.7 Ų | 72.7 | 74% | 0.74 | 37% | 0.365 | S | S | * | . | trans | -68 | 145 | 176.5 | 28.7 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 686 | F | 75.3 | Confident | 85.7 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 23% | 0.228 | 37% | 0.373 | C | S | . | . | trans | -108.6 | 142.9 | 179.9 | -82.3 | -90.6 | 0 | 0 | 0 | 111.9 | M675 V682 Q684 I689 C694 L695 A698 | M675-F686 HydrophobicContact CE-CB 3.78Å; M675-F686 WeakPolarHBondContact CE-O 3.34Å; M675-F686 HydrophobicContact SD-CB 4.25Å; V682-F686 HydrophobicContact CB-CD2 4.42Å; V682-F686 HydrophobicContact CB-CE2 4.21Å; V682-F686 HydrophobicContact CG1-CD2 4.24Å; V682-F686 HydrophobicContact CG1-CE2 3.96Å; Q684-F686 WeakPolarHBondContact O-CD2 3.38Å; F686-I689 HydrophobicContact CB-CG1 4.3Å; F686-C694 HydrophobicContact CE1-CB 4.4Å; F686-L695 HydrophobicContact CE2-CD1 4.45Å; F686-A698 HydrophobicContact CE1-CB 4.4Å; F686-A698 HydrophobicContact CE2-CB 3.27Å; F686-A698 HydrophobicContact CZ-CB 3.12Å | ||
| 687 | F | 78.7 | Confident | 85.5 | Confident | 165 Ų | 165 | 81 Ų | 81 | 72% | 0.724 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -83.9 | -38.2 | 166.7 | -174.5 | -98 | 0 | 0 | 0 | 111.9 | H671 | H671-F687 PolarHBondContact CE1-O 3.11Å; H671-F687 PolarHBondContact NE2-O 2.99Å |
| 688 | S | 81.5 | Confident | 85.6 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | trans | -138.5 | 141.7 | -178.4 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | D690 | S688-D690 WeakPolarHBondContact CB-OD1 3.13Å; S688-D690 PolarHBondContact OG-OD1 2.99Å | ||
| 689 | I | 82.5 | Confident | 85.7 | Confident | 7 Ų | 7 | 78.8 Ų | 78.8 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | trans | -118.6 | 60.5 | 175.9 | -56.2 | 164.1 | 0 | 0 | 0 | 108.3 | I658 A662 M675 I678 F686 L695 | I658-I689 HydrophobicContact CG2-CG2 4.14Å; A662-I689 HydrophobicContact CB-CB 4.36Å; A662-I689 WeakPolarHBondContact CB-O 3.34Å; M675-I689 HydrophobicContact CE-CD1 3.46Å; M675-I689 VanDerWaalsContact CE-CD1 3.46Å; M675-I689 HydrophobicContact CE-CG1 3.54Å; M675-I689 HydrophobicContact CG-CD1 4.46Å; M675-I689 HydrophobicContact SD-CD1 3.47Å; M675-I689 WeakPolarHBondContact SD-CD1 3.47Å; M675-I689 HydrophobicContact SD-CG1 4.17Å; I678-I689 HydrophobicContact CD1-CD1 3.7Å; F686-I689 HydrophobicContact CB-CG1 4.3Å; I689-L695 HydrophobicContact CG2-CB 4.44Å; I689-L695 HydrophobicContact CG2-CD2 3.78Å | ||
| 690 | D | 76.4 | Confident | 85.8 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | trans | -97.7 | -24.1 | 179.8 | 57.3 | -51.3 | 0 | 0 | 0 | 112.7 | K663 S688 | K663-D690 WeakPolarHBondContact CE-O 3.43Å; K663-D690 PolarHBondContact NZ-O 3.36Å; K663-D690 VanDerWaalsContact NZ-O 3.15Å; S688-D690 WeakPolarHBondContact CB-OD1 3.13Å; S688-D690 PolarHBondContact OG-OD1 2.99Å | ||
| 691 | R | 84.6 | Confident | 85.9 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 57% | 0.574 | 37% | 0.374 | S | S | * | . | trans | -115.1 | 125.4 | -175.3 | -55.5 | -164.3 | -166 | -167.3 | 4.6 | 112.2 | E693 C694 L695 | R691-E693 PolarHBondContact O-N 2.95Å; R691-C694 HydrophobicContact CB-CB 4.09Å; R691-C694 PolarHBondContact O-N 3.16Å; R691-L695 PolarHBondContact O-N 3.44Å | ||
| 692 | E | 89.6 | Confident | 86 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | -177.6 | -66.6 | 177 | -151.6 | 0 | 0 | 111.3 | V655 S656 C659 C694 L695 L696 | V655-E692 HydrophobicContact CG1-CB 3.95Å; V655-E692 HydrophobicContact CG1-CG 4.28Å; V655-E692 WeakPolarHBondContact CG1-O 3.49Å; S656-E692 WeakPolarHBondContact CB-OE2 3.49Å; S656-E692 PolarHBondContact OG-OE2 3.31Å; C659-E692 HydrophobicContact CB-CG 3.77Å; E692-C694 VanDerWaalsContact C-N 3.31Å; E692-C694 PolarHBondContact O-N 2.85Å; E692-L695 PolarHBondContact O-N 3.19Å; E692-L696 WeakPolarHBondContact O-CB 3.42Å; E692-L696 PolarHBondContact O-N 2.8Å |
| 693 | E | 86.9 | Confident | 86 | Confident | 138 Ų | 138 | 78.8 Ų | 78.8 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | -179.1 | -50.1 | 83.7 | 175.5 | 0 | 0 | 111.4 | R691 W697 | R691-E693 PolarHBondContact O-N 2.95Å; E693-W697 WeakPolarHBondContact O-CB 3.46Å; E693-W697 PolarHBondContact O-N 3.45Å |
| 694 | C | 86.4 | Confident | 86 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 178.4 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | F686 R691 E692 A698 | F686-C694 HydrophobicContact CE1-CB 4.4Å; R691-C694 HydrophobicContact CB-CB 4.09Å; R691-C694 PolarHBondContact O-N 3.16Å; E692-C694 VanDerWaalsContact C-N 3.31Å; E692-C694 PolarHBondContact O-N 2.85Å; C694-A698 PolarHBondContact O-N 3.44Å |
| 695 | L | 89 | Confident | 86.2 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 178.1 | -179.9 | 58.6 | 0 | 0 | 0 | 110.6 | V655 I658 I678 V682 F686 I689 R691 E692 W697 A698 L699 | V655-L695 HydrophobicContact CB-CD2 4.39Å; V655-L695 HydrophobicContact CG1-CB 4.18Å; V655-L695 HydrophobicContact CG1-CD2 4.08Å; V655-L695 HydrophobicContact CG1-CG 4.3Å; V655-L695 HydrophobicContact CG2-CD2 4.1Å; V655-L695 HydrophobicContact CG2-CG 4.15Å; I658-L695 HydrophobicContact CB-CD2 4.39Å; I658-L695 HydrophobicContact CG2-CD2 3.8Å; I678-L695 HydrophobicContact CG2-CD1 4.23Å; V682-L695 HydrophobicContact CG1-CD1 3.86Å; F686-L695 HydrophobicContact CE2-CD1 4.45Å; I689-L695 HydrophobicContact CG2-CB 4.44Å; I689-L695 HydrophobicContact CG2-CD2 3.78Å; R691-L695 PolarHBondContact O-N 3.44Å; E692-L695 PolarHBondContact O-N 3.19Å; L695-W697 VanDerWaalsContact C-N 3.31Å; L695-W697 PolarHBondContact O-N 3.2Å; L695-A698 PolarHBondContact O-N 2.64Å; L695-L699 HydrophobicContact CD1-CD2 4.2Å; L695-L699 HydrophobicContact CG-CD2 4.43Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 2.67Å |
| 696 | L | 90.3 | Very high | 86.5 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | -179.6 | -173.7 | 68.1 | 0 | 0 | 0 | 112.1 | I652 V655 E692 A698 L699 | I652-L696 HydrophobicContact CG1-CD1 4.34Å; I652-L696 HydrophobicContact CG1-CD2 4.2Å; V655-L696 HydrophobicContact CG2-CD1 4.28Å; E692-L696 WeakPolarHBondContact O-CB 3.42Å; E692-L696 PolarHBondContact O-N 2.8Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 2.78Å; L696-L699 HydrophobicContact CD1-CD1 4.1Å; L696-L699 PolarHBondContact O-N 2.73Å |
| 697 | W | 86 | Confident | 87.1 | Confident | 208 Ų | 208 | 70.3 Ų | 70.3 | 79% | 0.788 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.1 | -32.2 | -179 | -168.9 | 76.1 | 0 | 0 | 0 | 113.3 | E693 L695 | E693-W697 WeakPolarHBondContact O-CB 3.46Å; E693-W697 PolarHBondContact O-N 3.45Å; L695-W697 VanDerWaalsContact C-N 3.31Å; L695-W697 PolarHBondContact O-N 3.2Å |
| 698 | A | 89.4 | Confident | 87.6 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -89.4 | -1.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V682 K683 F686 C694 L695 L696 | V682-A698 WeakPolarHBondContact CA-O 3.33Å; K683-A698 WeakPolarHBondContact CB-O 3.36Å; K683-A698 WeakPolarHBondContact CG-O 3.41Å; K683-A698 PolarHBondContact N-O 3.2Å; F686-A698 HydrophobicContact CE1-CB 4.4Å; F686-A698 HydrophobicContact CE2-CB 3.27Å; F686-A698 HydrophobicContact CZ-CB 3.12Å; C694-A698 PolarHBondContact O-N 3.44Å; L695-A698 PolarHBondContact O-N 2.64Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 2.78Å |
| 699 | L | 92.3 | Very high | 87.8 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -59.5 | 144.2 | 172.8 | -61.2 | -179 | 0 | 0 | 0 | 110.5 | L643 V655 V682 K683 L695 L696 | L643-L699 HydrophobicContact CB-CD1 4.38Å; L643-L699 HydrophobicContact CB-CD2 4.18Å; L643-L699 HydrophobicContact CD1-CD2 4.2Å; L643-L699 HydrophobicContact CD2-CD1 4.06Å; L643-L699 HydrophobicContact CD2-CD2 4.04Å; L643-L699 HydrophobicContact CG-CD2 4.38Å; V655-L699 HydrophobicContact CG2-CD1 4.03Å; V682-L699 HydrophobicContact CG1-CD2 4.16Å; K683-L699 WeakPolarHBondContact CD-O 3.43Å; K683-L699 WeakPolarHBondContact CE-O 3.06Å; K683-L699 PolarHBondContact NZ-O 3.36Å; L695-L699 HydrophobicContact CD1-CD2 4.2Å; L695-L699 HydrophobicContact CG-CD2 4.43Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 2.67Å; L696-L699 HydrophobicContact CD1-CD1 4.1Å; L696-L699 PolarHBondContact O-N 2.73Å |
| 700 | K | 92 | Very high | 87.9 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 157.9 | 165 | -68.1 | -178.2 | 179.4 | -175.4 | 0 | 109.9 | P680 Y681 V682 K683 E770 | P680-K700 WeakPolarHBondContact O-CE 3.26Å; P680-K700 PolarHBondContact O-NZ 2.67Å; P680-K700 VanDerWaalsContact O-NZ 3.13Å; Y681-K700 PolarHBondContact O-N 2.83Å; V682-K700 WeakPolarHBondContact O-CE 2.96Å; K683-K700 HydrophobicContact CG-CG 4.04Å; K700-E770 IonicContact NZ-OE1 3.97Å; K700-E770 PolarHBondContact NZ-OE1 2.95Å |
| 701 | E | 89.6 | Confident | 88.4 | Confident | 146 Ų | 146 | 62.9 Ų | 62.9 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 136.5 | -176.9 | -66.3 | -170.8 | 171.3 | 0 | 0 | 111.6 | R644 | R644-E701 WeakPolarHBondContact CD-O 3.15Å; R644-E701 PolarHBondContact NE-O 3.35Å; R644-E701 PolarHBondContact NH2-O 3.21Å; R644-E701 VanDerWaalsContact NH2-O 3.07Å |
| 702 | P | 92.2 | Very high | 88.4 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 157.9 | -179.4 | 30.1 | -36.6 | 0 | 0 | 0 | 110.9 | R644 P704 | R644-P702 WeakPolarHBondContact O-CA 3.12Å; P702-P704 WeakPolarHBondContact O-CD 3.13Å |
| 703 | V | 91.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 126.3 | 171 | -180 | 0 | 0 | 0 | 0 | 108.2 | R644 K705 I707 W708 V774 F775 | R644-V703 PolarHBondContact O-N 2.86Å; V703-K705 PolarHBondContact O-N 3.12Å; V703-I707 HydrophobicContact CG1-CB 4.29Å; V703-I707 HydrophobicContact CG1-CG2 4.05Å; V703-W708 HydrophobicContact CB-CE3 4.42Å; V703-W708 HydrophobicContact CG1-CB 4.36Å; V703-W708 HydrophobicContact CG1-CE3 4.36Å; V703-V774 HydrophobicContact CG2-CB 4.18Å; V703-V774 HydrophobicContact CG2-CG1 3.81Å; V703-F775 HydrophobicContact CG1-CE2 3.97Å; V703-F775 HydrophobicContact CG1-CZ 3.97Å |
| 704 | P | 89.2 | Confident | 88 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 132.5 | 177.4 | -27.2 | 34.9 | 0 | 0 | 0 | 111.1 | P702 S706 I707 W708 | P702-P704 WeakPolarHBondContact O-CD 3.13Å; P704-S706 PolarHBondContact O-N 3.25Å; P704-S706 VanDerWaalsContact O-N 3.15Å; P704-I707 HydrophobicContact CB-CB 4.44Å; P704-I707 HydrophobicContact CB-CD1 4.22Å; P704-I707 HydrophobicContact CB-CG1 4.23Å; P704-I707 HydrophobicContact CG-CD1 3.97Å; P704-I707 WeakPolarHBondContact O-CB 3.27Å; P704-I707 PolarHBondContact O-N 3.01Å; P704-W708 PolarHBondContact O-N 3.3Å |
| 705 | K | 87.3 | Confident | 87.7 | Confident | 126 Ų | 126 | 51.5 Ų | 51.5 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -36.3 | -178 | -172.6 | 168.3 | -177 | 168.6 | 0 | 112.6 | P646 V703 I707 W708 D709 | P646-K705 HydrophobicContact CB-CB 4.05Å; P646-K705 HydrophobicContact CB-CG 4.41Å; V703-K705 PolarHBondContact O-N 3.12Å; K705-I707 VanDerWaalsContact C-N 3.3Å; K705-I707 PolarHBondContact O-N 3.35Å; K705-W708 PolarHBondContact O-N 2.75Å; K705-D709 WeakPolarHBondContact O-CB 3.47Å; K705-D709 PolarHBondContact O-N 2.69Å |
| 706 | S | 84.9 | Confident | 87.5 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 174.7 | 53 | 0 | 0 | 0 | 0 | 113.9 | P704 V710 | P704-S706 PolarHBondContact O-N 3.25Å; P704-S706 VanDerWaalsContact O-N 3.15Å; S706-V710 WeakPolarHBondContact O-CG2 3.43Å |
| 707 | I | 88.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.4 | -45.9 | 176.2 | -68.1 | -180 | 0 | 0 | 0 | 109.5 | V703 P704 K705 D709 V710 V711 L762 Q765 F767 F775 | V703-I707 HydrophobicContact CG1-CB 4.29Å; V703-I707 HydrophobicContact CG1-CG2 4.05Å; P704-I707 HydrophobicContact CB-CB 4.44Å; P704-I707 HydrophobicContact CB-CD1 4.22Å; P704-I707 HydrophobicContact CB-CG1 4.23Å; P704-I707 HydrophobicContact CG-CD1 3.97Å; P704-I707 WeakPolarHBondContact O-CB 3.27Å; P704-I707 PolarHBondContact O-N 3.01Å; K705-I707 VanDerWaalsContact C-N 3.3Å; K705-I707 PolarHBondContact O-N 3.35Å; I707-D709 PolarHBondContact O-N 3.46Å; I707-V710 PolarHBondContact O-N 2.93Å; I707-V711 HydrophobicContact CG2-CG2 4.4Å; I707-V711 WeakPolarHBondContact O-CG2 3.31Å; I707-V711 PolarHBondContact O-N 2.84Å; I707-L762 HydrophobicContact CG2-CD2 4.3Å; I707-Q765 HydrophobicContact CG1-CB 4.41Å; I707-F767 HydrophobicContact CD1-CB 4.38Å; I707-F767 HydrophobicContact CD1-CD2 4.49Å; I707-F767 HydrophobicContact CG2-CD2 3.54Å; I707-F767 HydrophobicContact CG2-CE2 4.01Å; I707-F775 HydrophobicContact CG2-CE2 4.15Å; I707-F775 HydrophobicContact CG2-CZ 4.41Å |
| 708 | W | 89 | Confident | 87.3 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 8% | 0.076 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.3 | -51.9 | 177.8 | -174.8 | -91.4 | 0 | 0 | 0 | 112.2 | H645 P646 V703 P704 K705 V710 V711 V712 F775 F778 L782 | H645-W708 AromaticContact CD2-CH2 3.62Å; H645-W708 AromaticContact CD2-CZ2 3.48Å; H645-W708 VanDerWaalsContact CD2-CZ2 3.48Å; H645-W708 WeakPolarHBondContact CD2-CZ2 3.5Å; H645-W708 AromaticContact NE2-CE2 3.71Å; H645-W708 AromaticContact NE2-CZ2 3.38Å; H645-W708 WeakPolarHBondContact NE2-CZ2 3.41Å; H645-W708 AromaticContact NE2-NE1 3.98Å; P646-W708 HydrophobicContact CG-CB 3.97Å; P646-W708 HydrophobicContact CG-CD2 3.88Å; P646-W708 HydrophobicContact CG-CE3 4.43Å; P646-W708 HydrophobicContact CG-CG 3.65Å; V703-W708 HydrophobicContact CB-CE3 4.42Å; V703-W708 HydrophobicContact CG1-CB 4.36Å; V703-W708 HydrophobicContact CG1-CE3 4.36Å; P704-W708 PolarHBondContact O-N 3.3Å; K705-W708 PolarHBondContact O-N 2.75Å; W708-V710 VanDerWaalsContact C-N 3.29Å; W708-V710 PolarHBondContact O-N 3.4Å; W708-V711 PolarHBondContact O-N 2.8Å; W708-V712 HydrophobicContact CD2-CG2 4.16Å; W708-V712 HydrophobicContact CG-CG2 4.31Å; W708-V712 HydrophobicContact CZ2-CG2 4.27Å; W708-V712 WeakPolarHBondContact O-CB 3.43Å; W708-V712 WeakPolarHBondContact O-CG2 3.35Å; W708-V712 PolarHBondContact O-N 2.83Å; W708-F775 HydrophobicContact CD2-CE1 4.24Å; W708-F775 HydrophobicContact CD2-CZ 4.48Å; W708-F775 AromaticContact CE3-CE1 3.59Å; W708-F775 HydrophobicContact CE3-CE1 3.59Å; W708-F775 AromaticContact CE3-CZ 3.78Å; W708-F775 HydrophobicContact CE3-CZ 3.78Å; W708-F775 HydrophobicContact CZ3-CD1 4.41Å; W708-F775 AromaticContact CZ3-CE1 3.88Å; W708-F775 HydrophobicContact CZ3-CE1 3.88Å; W708-F775 HydrophobicContact CZ3-CZ 4.39Å; W708-F778 HydrophobicContact CH2-CD1 4.22Å; W708-F778 AromaticContact CH2-CD2 3.79Å; W708-F778 HydrophobicContact CH2-CD2 3.79Å; W708-F778 HydrophobicContact CH2-CE1 4.3Å; W708-F778 AromaticContact CH2-CE2 3.86Å; W708-F778 HydrophobicContact CH2-CE2 3.86Å; W708-F778 AromaticContact CH2-CG 3.96Å; W708-F778 HydrophobicContact CH2-CG 3.96Å; W708-F778 HydrophobicContact CH2-CZ 4.11Å; W708-F778 AromaticContact CZ3-CD2 3.95Å; W708-F778 HydrophobicContact CZ3-CD2 3.95Å; W708-F778 HydrophobicContact CZ3-CE2 4.07Å; W708-F778 HydrophobicContact CZ3-CG 4.49Å; W708-L782 HydrophobicContact CH2-CD2 4.42Å; W708-L782 HydrophobicContact CZ2-CD2 4.14Å |
| 709 | D | 85.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | -178.8 | -65.9 | -18.3 | 0 | 0 | 0 | 111.9 | K705 I707 G713 | K705-D709 WeakPolarHBondContact O-CB 3.47Å; K705-D709 PolarHBondContact O-N 2.69Å; I707-D709 PolarHBondContact O-N 3.46Å; D709-G713 WeakPolarHBondContact O-CA 3.33Å; D709-G713 PolarHBondContact O-N 3.29Å |
| 710 | V | 85.2 | Confident | 86.9 | Confident | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 177.7 | 173 | 0 | 0 | 0 | 0 | 111.7 | S706 I707 W708 S714 L758 L762 | S706-V710 WeakPolarHBondContact O-CG2 3.43Å; I707-V710 PolarHBondContact O-N 2.93Å; W708-V710 VanDerWaalsContact C-N 3.29Å; W708-V710 PolarHBondContact O-N 3.4Å; V710-S714 WeakPolarHBondContact O-CB 3.4Å; V710-S714 PolarHBondContact O-N 3.25Å; V710-L758 HydrophobicContact CG1-CD1 3.99Å; V710-L762 HydrophobicContact CB-CD2 4.08Å; V710-L762 HydrophobicContact CG1-CD2 3.67Å; V710-L762 HydrophobicContact CG1-CG 4.44Å |
| 711 | V | 87.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -53.6 | 179.3 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | I707 W708 G713 S714 L717 L720 L762 F775 | I707-V711 HydrophobicContact CG2-CG2 4.4Å; I707-V711 WeakPolarHBondContact O-CG2 3.31Å; I707-V711 PolarHBondContact O-N 2.84Å; W708-V711 PolarHBondContact O-N 2.8Å; V711-G713 VanDerWaalsContact C-N 3.33Å; V711-G713 PolarHBondContact O-N 2.83Å; V711-S714 WeakPolarHBondContact O-CB 3.35Å; V711-S714 PolarHBondContact O-N 2.8Å; V711-S714 VanDerWaalsContact O-N 3.12Å; V711-L717 HydrophobicContact CG1-CD1 4.04Å; V711-L720 HydrophobicContact CB-CD2 4.38Å; V711-L720 HydrophobicContact CG1-CD2 3.54Å; V711-L720 HydrophobicContact CG2-CD2 4.23Å; V711-L762 HydrophobicContact CG2-CD1 3.79Å; V711-L762 HydrophobicContact CG2-CD2 3.93Å; V711-F775 HydrophobicContact CB-CD1 4.31Å; V711-F775 HydrophobicContact CB-CE1 3.67Å; V711-F775 HydrophobicContact CB-CE2 4.33Å; V711-F775 HydrophobicContact CB-CZ 3.7Å; V711-F775 HydrophobicContact CG1-CD1 3.5Å; V711-F775 HydrophobicContact CG1-CD2 4.44Å; V711-F775 HydrophobicContact CG1-CE1 3.36Å; V711-F775 HydrophobicContact CG1-CE2 4.36Å; V711-F775 HydrophobicContact CG1-CG 4.07Å; V711-F775 HydrophobicContact CG1-CZ 3.83Å; V711-F775 HydrophobicContact CG2-CE1 4.24Å; V711-F775 HydrophobicContact CG2-CE2 3.99Å; V711-F775 HydrophobicContact CG2-CZ 3.81Å |
| 712 | V | 85 | Confident | 86.6 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -32.8 | -177 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | W708 S714 F775 L782 | W708-V712 HydrophobicContact CD2-CG2 4.16Å; W708-V712 HydrophobicContact CG-CG2 4.31Å; W708-V712 HydrophobicContact CZ2-CG2 4.27Å; W708-V712 WeakPolarHBondContact O-CB 3.43Å; W708-V712 WeakPolarHBondContact O-CG2 3.35Å; W708-V712 PolarHBondContact O-N 2.83Å; V712-S714 VanDerWaalsContact C-N 3.27Å; V712-S714 PolarHBondContact O-N 3.4Å; V712-F775 HydrophobicContact CG2-CE1 4.42Å; V712-L782 HydrophobicContact CB-CD2 4.48Å; V712-L782 HydrophobicContact CG1-CD2 4.15Å; V712-L782 HydrophobicContact CG2-CD1 4.31Å; V712-L782 HydrophobicContact CG2-CD2 3.55Å |
| 713 | G | 83.2 | Confident | 86.3 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D709 V711 | D709-G713 WeakPolarHBondContact O-CA 3.33Å; D709-G713 PolarHBondContact O-N 3.29Å; V711-G713 VanDerWaalsContact C-N 3.33Å; V711-G713 PolarHBondContact O-N 2.83Å |
| 714 | S | 84.3 | Confident | 86.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | trans | -72.5 | 132.9 | -177.4 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | V710 V711 V712 Y716 L717 L758 | V710-S714 WeakPolarHBondContact O-CB 3.4Å; V710-S714 PolarHBondContact O-N 3.25Å; V711-S714 WeakPolarHBondContact O-CB 3.35Å; V711-S714 PolarHBondContact O-N 2.8Å; V711-S714 VanDerWaalsContact O-N 3.12Å; V712-S714 VanDerWaalsContact C-N 3.27Å; V712-S714 PolarHBondContact O-N 3.4Å; S714-Y716 PolarHBondContact O-N 3.49Å; S714-Y716 PolarHBondContact OG-N 2.65Å; S714-Y716 VanDerWaalsContact OG-N 3.11Å; S714-L717 PolarHBondContact O-N 3.12Å; S714-L758 WeakPolarHBondContact OG-CD2 3.41Å | ||
| 715 | P | 80.5 | Confident | 86.1 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8.6 | 170.7 | 30.1 | -34.6 | 0 | 0 | 0 | 113.3 | R786 | P715-R786 VanDerWaalsContact O-CZ 3.28Å; P715-R786 PolarHBondContact O-NH1 2.83Å; P715-R786 PolarHBondContact O-NH2 3.39Å |
| 716 | Y | 84.2 | Confident | 85.9 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 26% | 0.263 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 26.1 | 177.5 | -51.7 | -78.1 | 0 | 0 | 0 | 112.6 | S714 E719 L720 K754 | S714-Y716 PolarHBondContact O-N 3.49Å; S714-Y716 PolarHBondContact OG-N 2.65Å; S714-Y716 VanDerWaalsContact OG-N 3.11Å; Y716-E719 WeakPolarHBondContact CA-OE2 3.25Å; Y716-E719 PolarHBondContact O-N 3.18Å; Y716-E719 VanDerWaalsContact O-OE2 3.13Å; Y716-L720 WeakPolarHBondContact O-CB 3.41Å; Y716-L720 PolarHBondContact O-N 3.42Å; Y716-K754 HydrophobicContact CE2-CB 4.47Å; Y716-K754 WeakPolarHBondContact OH-CD 3.48Å |
| 717 | L | 86.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -48 | -175.2 | 176 | 68 | 0 | 0 | 0 | 114.1 | V711 S714 E719 L720 L721 L782 R786 | V711-L717 HydrophobicContact CG1-CD1 4.04Å; S714-L717 PolarHBondContact O-N 3.12Å; L717-E719 PolarHBondContact O-N 3.1Å; L717-L720 PolarHBondContact O-N 3.04Å; L717-L721 HydrophobicContact CD1-CD1 3.87Å; L717-L721 HydrophobicContact CD1-CD2 4.44Å; L717-L721 HydrophobicContact CD1-CG 3.91Å; L717-L721 HydrophobicContact CG-CD1 3.93Å; L717-L721 HydrophobicContact CG-CG 4.35Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 VanDerWaalsContact O-CG 3.26Å; L717-L721 WeakPolarHBondContact O-CG 3.3Å; L717-L721 PolarHBondContact O-N 2.85Å; L717-L782 HydrophobicContact CD2-CB 4.19Å; L717-R786 HydrophobicContact CD2-CB 4.03Å |
| 718 | P | 85.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 31% | 0.312 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 176.4 | -23.3 | 30.9 | 0 | 0 | 0 | 113.4 | L720 L721 S722 L783 | P718-L720 VanDerWaalsContact C-N 3.35Å; P718-L721 PolarHBondContact O-N 3.4Å; P718-S722 WeakPolarHBondContact O-CB 3.19Å; P718-S722 PolarHBondContact O-N 3.28Å; P718-L783 HydrophobicContact CB-CD2 3.87Å; P718-L783 HydrophobicContact CG-CD2 3.72Å |
| 719 | E | 86.6 | Confident | 85.1 | Confident | 92 Ų | 92 | 52 Ų | 52 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | -179.6 | -58.8 | 81 | 179.7 | 0 | 0 | 110.6 | Y716 L717 S722 C723 L755 | Y716-E719 WeakPolarHBondContact CA-OE2 3.25Å; Y716-E719 PolarHBondContact O-N 3.18Å; Y716-E719 VanDerWaalsContact O-OE2 3.13Å; L717-E719 PolarHBondContact O-N 3.1Å; E719-S722 PolarHBondContact O-N 2.82Å; E719-C723 WeakPolarHBondContact O-CB 3.34Å; E719-C723 PolarHBondContact O-N 3.18Å; E719-L755 HydrophobicContact CB-CD2 3.9Å |
| 720 | L | 86.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.7 | -169.9 | 120.7 | 0 | 0 | 0 | 111.4 | V711 Y716 L717 P718 C723 F724 L755 L758 L762 | V711-L720 HydrophobicContact CB-CD2 4.38Å; V711-L720 HydrophobicContact CG1-CD2 3.54Å; V711-L720 HydrophobicContact CG2-CD2 4.23Å; Y716-L720 WeakPolarHBondContact O-CB 3.41Å; Y716-L720 PolarHBondContact O-N 3.42Å; L717-L720 PolarHBondContact O-N 3.04Å; P718-L720 VanDerWaalsContact C-N 3.35Å; L720-C723 WeakPolarHBondContact O-CB 3.39Å; L720-C723 PolarHBondContact O-N 3.45Å; L720-F724 HydrophobicContact CD1-CE1 4.42Å; L720-F724 HydrophobicContact CD1-CZ 4.01Å; L720-F724 HydrophobicContact CD2-CD2 4.04Å; L720-F724 HydrophobicContact CD2-CE1 4.12Å; L720-F724 HydrophobicContact CD2-CE2 3.15Å; L720-F724 HydrophobicContact CD2-CZ 3.2Å; L720-F724 HydrophobicContact CG-CD2 4.47Å; L720-F724 HydrophobicContact CG-CE1 3.81Å; L720-F724 HydrophobicContact CG-CE2 3.76Å; L720-F724 HydrophobicContact CG-CZ 3.38Å; L720-F724 VanDerWaalsContact O-CD1 3.25Å; L720-F724 WeakPolarHBondContact O-CD1 3.46Å; L720-F724 WeakPolarHBondContact O-CG 3.26Å; L720-F724 PolarHBondContact O-N 2.87Å; L720-L755 HydrophobicContact CB-CD1 3.96Å; L720-L755 HydrophobicContact CD1-CD1 3.87Å; L720-L755 HydrophobicContact CG-CD1 4.44Å; L720-L758 HydrophobicContact CD1-CD2 3.87Å; L720-L758 HydrophobicContact CD1-CG 4.4Å; L720-L762 HydrophobicContact CD1-CD1 4.1Å |
| 721 | L | 88.8 | Confident | 84.5 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175.2 | -71.1 | 173.7 | 0 | 0 | 0 | 112.2 | L717 P718 F724 R725 F775 A779 L782 L783 | L717-L721 HydrophobicContact CD1-CD1 3.87Å; L717-L721 HydrophobicContact CD1-CD2 4.44Å; L717-L721 HydrophobicContact CD1-CG 3.91Å; L717-L721 HydrophobicContact CG-CD1 3.93Å; L717-L721 HydrophobicContact CG-CG 4.35Å; L717-L721 WeakPolarHBondContact O-CB 3.47Å; L717-L721 VanDerWaalsContact O-CG 3.26Å; L717-L721 WeakPolarHBondContact O-CG 3.3Å; L717-L721 PolarHBondContact O-N 2.85Å; P718-L721 PolarHBondContact O-N 3.4Å; L721-F724 HydrophobicContact CD2-CD2 4.36Å; L721-F724 PolarHBondContact O-N 2.82Å; L721-R725 WeakPolarHBondContact O-CB 3.23Å; L721-R725 PolarHBondContact O-N 2.85Å; L721-F775 HydrophobicContact CD2-CB 4.12Å; L721-F775 WeakPolarHBondContact CD2-O 3.48Å; L721-A779 HydrophobicContact CD1-CB 4.13Å; L721-A779 HydrophobicContact CD2-CB 4.14Å; L721-L782 HydrophobicContact CD1-CB 4.28Å; L721-L782 HydrophobicContact CD2-CD1 4.48Å; L721-L783 HydrophobicContact CD1-CD1 4.47Å; L721-L783 HydrophobicContact CD1-CD2 3.97Å; L721-L783 HydrophobicContact CD1-CG 3.81Å |
| 722 | S | 87.3 | Confident | 83.9 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 53% | 0.531 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | P718 E719 F724 R725 E726 | P718-S722 WeakPolarHBondContact O-CB 3.19Å; P718-S722 PolarHBondContact O-N 3.28Å; E719-S722 PolarHBondContact O-N 2.82Å; S722-F724 VanDerWaalsContact C-N 3.35Å; S722-F724 PolarHBondContact O-N 3.25Å; S722-R725 PolarHBondContact O-N 3.23Å; S722-E726 PolarHBondContact O-N 3.33Å |
| 723 | C | 85.5 | Confident | 83.4 | Confident | 15 Ų | 15 | 60 Ų | 60 | 10% | 0.101 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -44.5 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | E719 L720 R725 E726 R727 | E719-C723 WeakPolarHBondContact O-CB 3.34Å; E719-C723 PolarHBondContact O-N 3.18Å; L720-C723 WeakPolarHBondContact O-CB 3.39Å; L720-C723 PolarHBondContact O-N 3.45Å; C723-R725 VanDerWaalsContact C-N 3.33Å; C723-R725 PolarHBondContact O-N 2.88Å; C723-E726 PolarHBondContact O-N 3.36Å; C723-R727 WeakPolarHBondContact O-CB 3.5Å; C723-R727 WeakPolarHBondContact O-CG 3.35Å; C723-R727 PolarHBondContact O-N 3.2Å |
| 724 | F | 89 | Confident | 82.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.8 | -63.1 | -12.6 | 0 | 0 | 0 | 112.1 | L720 L721 S722 R727 H728 Y759 F767 E772 F775 V776 | L720-F724 HydrophobicContact CD1-CE1 4.42Å; L720-F724 HydrophobicContact CD1-CZ 4.01Å; L720-F724 HydrophobicContact CD2-CD2 4.04Å; L720-F724 HydrophobicContact CD2-CE1 4.12Å; L720-F724 HydrophobicContact CD2-CE2 3.15Å; L720-F724 HydrophobicContact CD2-CZ 3.2Å; L720-F724 HydrophobicContact CG-CD2 4.47Å; L720-F724 HydrophobicContact CG-CE1 3.81Å; L720-F724 HydrophobicContact CG-CE2 3.76Å; L720-F724 HydrophobicContact CG-CZ 3.38Å; L720-F724 VanDerWaalsContact O-CD1 3.25Å; L720-F724 WeakPolarHBondContact O-CD1 3.46Å; L720-F724 WeakPolarHBondContact O-CG 3.26Å; L720-F724 PolarHBondContact O-N 2.87Å; L721-F724 HydrophobicContact CD2-CD2 4.36Å; L721-F724 PolarHBondContact O-N 2.82Å; S722-F724 VanDerWaalsContact C-N 3.35Å; S722-F724 PolarHBondContact O-N 3.25Å; F724-R727 PolarHBondContact O-N 3.49Å; F724-H728 VanDerWaalsContact O-CB 3.26Å; F724-H728 WeakPolarHBondContact O-CB 3.32Å; F724-H728 PolarHBondContact O-N 3.41Å; F724-Y759 HydrophobicContact CD1-CE2 4.49Å; F724-Y759 AromaticContact CE1-CD2 3.92Å; F724-Y759 HydrophobicContact CE1-CD2 3.92Å; F724-Y759 AromaticContact CE1-CE2 3.81Å; F724-Y759 HydrophobicContact CE1-CE2 3.81Å; F724-F767 AromaticContact CE1-CE1 3.67Å; F724-F767 HydrophobicContact CE1-CE1 3.67Å; F724-F767 AromaticContact CE1-CZ 3.92Å; F724-F767 HydrophobicContact CE1-CZ 3.92Å; F724-F767 HydrophobicContact CE2-CE1 4.29Å; F724-F767 AromaticContact CE2-CZ 3.67Å; F724-F767 HydrophobicContact CE2-CZ 3.67Å; F724-F767 AromaticContact CZ-CE1 3.48Å; F724-F767 HydrophobicContact CZ-CE1 3.48Å; F724-F767 VanDerWaalsContact CZ-CE1 3.48Å; F724-F767 HydrophobicContact CZ-CE2 4.43Å; F724-F767 AromaticContact CZ-CZ 3.3Å; F724-F767 HydrophobicContact CZ-CZ 3.3Å; F724-E772 HydrophobicContact CB-CB 4.32Å; F724-E772 HydrophobicContact CD1-CB 4.39Å; F724-E772 HydrophobicContact CD1-CG 3.86Å; F724-E772 HydrophobicContact CE1-CG 4.09Å; F724-E772 HydrophobicContact CG-CB 4.22Å; F724-E772 HydrophobicContact CG-CG 4.18Å; F724-F775 HydrophobicContact CD2-CB 3.71Å; F724-F775 HydrophobicContact CD2-CG 4.44Å; F724-F775 HydrophobicContact CE2-CB 3.9Å; F724-F775 HydrophobicContact CE2-CD2 4.17Å; F724-F775 HydrophobicContact CE2-CG 4.14Å; F724-V776 HydrophobicContact CB-CG2 3.62Å |
| 725 | R | 86.3 | Confident | 80.5 | Confident | 183 Ų | 183 | 65.5 Ų | 65.5 | 69% | 0.691 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 179 | -173.2 | 180 | -178.3 | -175 | 1.1 | 112 | L721 S722 C723 H728 L729 V776 | L721-R725 WeakPolarHBondContact O-CB 3.23Å; L721-R725 PolarHBondContact O-N 2.85Å; S722-R725 PolarHBondContact O-N 3.23Å; C723-R725 VanDerWaalsContact C-N 3.33Å; C723-R725 PolarHBondContact O-N 2.88Å; R725-H728 PolarHBondContact O-N 2.94Å; R725-L729 WeakPolarHBondContact O-CB 3.39Å; R725-L729 PolarHBondContact O-N 2.75Å; R725-V776 HydrophobicContact CB-CG2 4.44Å |
| 726 | E | 83.3 | Confident | 78.8 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.4 | -175.5 | -179.9 | -171.1 | 0 | 0 | 111 | S722 C723 H728 L729 I730 | S722-E726 PolarHBondContact O-N 3.33Å; C723-E726 PolarHBondContact O-N 3.36Å; E726-H728 VanDerWaalsContact C-N 3.35Å; E726-H728 PolarHBondContact O-N 3.06Å; E726-L729 WeakPolarHBondContact O-CB 3.34Å; E726-L729 PolarHBondContact O-N 3.08Å; E726-L729 VanDerWaalsContact O-N 3.14Å; E726-I730 HydrophobicContact CG-CD1 4.08Å; E726-I730 WeakPolarHBondContact O-CG1 3.43Å; E726-I730 PolarHBondContact O-N 3.47Å |
| 727 | R | 82.6 | Confident | 77 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 177.3 | -67.8 | 171.6 | 65.6 | 72.7 | 14.1 | 112.1 | C723 F724 L729 I730 R731 L748 Y759 E772 | C723-R727 WeakPolarHBondContact O-CB 3.5Å; C723-R727 WeakPolarHBondContact O-CG 3.35Å; C723-R727 PolarHBondContact O-N 3.2Å; F724-R727 PolarHBondContact O-N 3.49Å; R727-L729 VanDerWaalsContact C-N 3.35Å; R727-I730 PolarHBondContact O-N 3.35Å; R727-R731 WeakPolarHBondContact O-CG 3.2Å; R727-R731 PolarHBondContact O-N 3.23Å; R727-L748 PolarHBondContact NH1-O 2.9Å; R727-Y759 PolarHBondContact NE-OH 3.03Å; R727-Y759 PolarHBondContact NH2-OH 3.32Å; R727-E772 IonicContact CZ-OE1 3.89Å; R727-E772 IonicContact NE-OE1 3.17Å; R727-E772 PolarHBondContact NE-OE1 3.23Å; R727-E772 VanDerWaalsContact NE-OE1 3.15Å; R727-E772 IonicContact NE-OE2 3.15Å; R727-E772 PolarHBondContact NE-OE2 3.43Å; R727-E772 IonicContact NH2-OE1 2.86Å |
| 728 | H | 83.9 | Confident | 74.9 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 32% | 0.319 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 172.8 | 178.8 | 76.2 | 0 | 0 | 0 | 111.9 | F724 R725 E726 R731 S732 D773 V776 | F724-H728 VanDerWaalsContact O-CB 3.26Å; F724-H728 WeakPolarHBondContact O-CB 3.32Å; F724-H728 PolarHBondContact O-N 3.41Å; R725-H728 PolarHBondContact O-N 2.94Å; E726-H728 VanDerWaalsContact C-N 3.35Å; E726-H728 PolarHBondContact O-N 3.06Å; H728-R731 PolarHBondContact O-N 3.1Å; H728-S732 WeakPolarHBondContact O-CB 3.25Å; H728-S732 PolarHBondContact O-N 3.05Å; H728-S732 PolarHBondContact O-OG 3.28Å; H728-D773 IonicContact CE1-OD1 3.12Å; H728-D773 IonicContact CG-OD1 3.56Å; H728-D773 IonicContact ND1-OD1 3.89Å; H728-D773 PolarHBondContact ND1-OD1 2.77Å; H728-D773 IonicContact ND1-OD2 3.25Å; H728-V776 HydrophobicContact CB-CG2 4.28Å |
| 729 | L | 80.9 | Confident | 72.5 | Confident | 96 Ų | 96 | 88.4 Ų | 88.4 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.5 | -171.8 | 70.2 | 0 | 0 | 0 | 111.5 | R725 E726 R727 R731 S732 L733 | R725-L729 WeakPolarHBondContact O-CB 3.39Å; R725-L729 PolarHBondContact O-N 2.75Å; E726-L729 WeakPolarHBondContact O-CB 3.34Å; E726-L729 PolarHBondContact O-N 3.08Å; E726-L729 VanDerWaalsContact O-N 3.14Å; R727-L729 VanDerWaalsContact C-N 3.35Å; L729-R731 VanDerWaalsContact C-N 3.35Å; L729-R731 PolarHBondContact O-N 3.06Å; L729-S732 WeakPolarHBondContact CA-OG 3.21Å; L729-S732 PolarHBondContact O-N 3.33Å; L729-S732 PolarHBondContact O-OG 3.3Å; L729-L733 HydrophobicContact CD1-CD1 4.34Å; L729-L733 HydrophobicContact CD1-CG 4.46Å; L729-L733 HydrophobicContact CD2-CD1 4.38Å; L729-L733 HydrophobicContact CG-CD1 3.86Å; L729-L733 HydrophobicContact CG-CG 4.37Å; L729-L733 WeakPolarHBondContact O-CB 3.43Å; L729-L733 VanDerWaalsContact O-CG 3.27Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 2.97Å |
| 730 | I | 75.9 | Confident | 70.1 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.6 | -66.6 | 164.8 | 0 | 0 | 0 | 110.4 | E726 R727 S732 G734 L748 | E726-I730 HydrophobicContact CG-CD1 4.08Å; E726-I730 WeakPolarHBondContact O-CG1 3.43Å; E726-I730 PolarHBondContact O-N 3.47Å; R727-I730 PolarHBondContact O-N 3.35Å; I730-S732 PolarHBondContact O-N 3.31Å; I730-G734 WeakPolarHBondContact O-CA 3.44Å; I730-G734 PolarHBondContact O-N 3.3Å; I730-L748 HydrophobicContact CD1-CD1 3.61Å |
| 731 | R | 81.6 | Confident | 67.6 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 26% | 0.264 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.9 | -74.6 | -170.7 | -65.5 | -93.3 | -0.5 | 112.3 | R727 H728 L729 G734 D769 E772 D773 | R727-R731 WeakPolarHBondContact O-CG 3.2Å; R727-R731 PolarHBondContact O-N 3.23Å; H728-R731 PolarHBondContact O-N 3.1Å; L729-R731 VanDerWaalsContact C-N 3.35Å; L729-R731 PolarHBondContact O-N 3.06Å; R731-G734 PolarHBondContact O-N 3.04Å; R731-D769 IonicContact CZ-OD2 3.68Å; R731-D769 IonicContact NH1-OD2 3.77Å; R731-D769 PolarHBondContact NH1-OD2 3.38Å; R731-E772 IonicContact CZ-OE2 2.66Å; R731-E772 VanDerWaalsContact CZ-OE2 3.28Å; R731-E772 IonicContact NH1-OE2 3.43Å; R731-E772 PolarHBondContact NH1-OE2 3.38Å; R731-E772 IonicContact NH2-OE2 3.17Å; R731-E772 PolarHBondContact NH2-OE2 3.48Å; R731-D773 IonicContact CZ-OD1 3.93Å; R731-D773 IonicContact NE-OD1 3.97Å; R731-D773 IonicContact NH2-OD1 3.14Å; R731-D773 PolarHBondContact NH2-OD1 3.37Å |
| 732 | S | 74.1 | Confident | 64.9 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.8 | -34.7 | -178.5 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | H728 L729 I730 | H728-S732 WeakPolarHBondContact O-CB 3.25Å; H728-S732 PolarHBondContact O-N 3.05Å; H728-S732 PolarHBondContact O-OG 3.28Å; L729-S732 WeakPolarHBondContact CA-OG 3.21Å; L729-S732 PolarHBondContact O-N 3.33Å; L729-S732 PolarHBondContact O-OG 3.3Å; I730-S732 PolarHBondContact O-N 3.31Å |
| 733 | L | 75.1 | Confident | 62.6 | Low | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.1 | -30.7 | 170.3 | -69.7 | 169.9 | 0 | 0 | 0 | 112.3 | L729 N735 | L729-L733 HydrophobicContact CD1-CD1 4.34Å; L729-L733 HydrophobicContact CD1-CG 4.46Å; L729-L733 HydrophobicContact CD2-CD1 4.38Å; L729-L733 HydrophobicContact CG-CD1 3.86Å; L729-L733 HydrophobicContact CG-CG 4.37Å; L729-L733 WeakPolarHBondContact O-CB 3.43Å; L729-L733 VanDerWaalsContact O-CG 3.27Å; L729-L733 WeakPolarHBondContact O-CG 3.41Å; L729-L733 PolarHBondContact O-N 2.97Å; L733-N735 PolarHBondContact O-N 3.19Å |
| 734 | G | 59.4 | Low | 60.3 | Low | 52 Ų | 52 | 107.5 Ų | 107.5 | 54% | 0.536 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | 1.4 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | I730 R731 V736 | I730-G734 WeakPolarHBondContact O-CA 3.44Å; I730-G734 PolarHBondContact O-N 3.3Å; R731-G734 PolarHBondContact O-N 3.04Å; G734-V736 PolarHBondContact O-N 3.26Å; G734-V736 VanDerWaalsContact O-N 3.11Å |
| 735 | N | 48.1 | Very low | 58.1 | Low | 125 Ų | 125 | 115.2 Ų | 115.2 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 16.8 | 169.5 | -102.8 | -19 | 0 | 0 | 0 | 114 | L733 K737 | L733-N735 PolarHBondContact O-N 3.19Å; N735-K737 PolarHBondContact O-N 3.29Å |
| 736 | V | 44.3 | Very low | 56.2 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 68% | 0.679 | 61% | 0.609 | S | S | * | * | trans | -69.7 | 72.3 | 157.7 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | G734 D738 | G734-V736 PolarHBondContact O-N 3.26Å; G734-V736 VanDerWaalsContact O-N 3.11Å; V736-D738 PolarHBondContact O-N 3.08Å | ||
| 737 | K | 46.1 | Very low | 54.7 | Low | 181 Ų | 181 | 112.3 Ų | 112.3 | 79% | 0.787 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 19.1 | -179.4 | -85.5 | -172.4 | 175.2 | 179.8 | 0 | 115.2 | N735 | N735-K737 PolarHBondContact O-N 3.29Š|
| 738 | D | 41.1 | Very low | 53.4 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 82% | 0.824 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 27.5 | -170.2 | -103 | -6.3 | 0 | 0 | 0 | 115.8 | V736 | V736-D738 PolarHBondContact O-N 3.08Š|
| 739 | R | 37 | Very low | 52.4 | Low | 235 Ų | 235 | 113 Ų | 113 | 89% | 0.887 | 63% | 0.627 | S | S | * | * | trans | -126.3 | 101.9 | 161.6 | -69.1 | -168 | 179.7 | -173.2 | 1.6 | 111 | ||||
| 740 | G | 36 | Very low | 51.8 | Low | 65 Ų | 65 | 109.1 Ų | 109.1 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | trans | -62.5 | 160.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 741 | S | 32.9 | Very low | 51.5 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 92% | 0.916 | 63% | 0.634 | S | S | * | * | trans | 64.1 | 112.2 | 169.5 | 61.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 742 | G | 33.4 | Very low | 51.3 | Low | 70 Ų | 70 | 113.7 Ų | 113.7 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | trans | 140.8 | 101.1 | 156 | 0 | 0 | 0 | 0 | 0 | 112.9 | E744 | G742-E744 PolarHBondContact O-N 3.41Š| ||
| 743 | D | 37.3 | Very low | 51.5 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | trans | -60.4 | 43.5 | 167.4 | -85.7 | -38.6 | 0 | 0 | 0 | 113.4 | F745 | D743-F745 HydrophobicContact CB-CD2 4.23Å; D743-F745 HydrophobicContact CB-CE2 4.19Å; D743-F745 PolarHBondContact O-N 2.99Å; D743-F745 WeakPolarHBondContact OD1-CE2 3.25Å | ||
| 744 | E | 38.1 | Very low | 51.7 | Low | 182 Ų | 182 | 116.1 Ų | 116.1 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | trans | -81.3 | 72.1 | 163.6 | -71.8 | -167.5 | 171.4 | 0 | 0 | 108.4 | G742 L746 | G742-E744 PolarHBondContact O-N 3.41Å; E744-L746 PolarHBondContact O-N 3.28Å | ||
| 745 | F | 43.2 | Very low | 52.7 | Low | 164 Ų | 164 | 114.1 Ų | 114.1 | 72% | 0.719 | 62% | 0.623 | S | S | * | * | trans | -50.5 | 101.3 | 161.5 | -78.4 | -92.4 | 0 | 0 | 0 | 107.8 | D743 P747 | D743-F745 HydrophobicContact CB-CD2 4.23Å; D743-F745 HydrophobicContact CB-CE2 4.19Å; D743-F745 PolarHBondContact O-N 2.99Å; D743-F745 WeakPolarHBondContact OD1-CE2 3.25Å; F745-P747 WeakPolarHBondContact O-CD 3.49Å; F745-P747 WeakPolarHBondContact O-CG 3.35Å | ||
| 746 | L | 46 | Very low | 54.2 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -60.7 | 97.9 | 167.6 | -86 | 153.7 | 0 | 0 | 0 | 108.3 | E744 L748 | E744-L746 PolarHBondContact O-N 3.28Å; L746-L748 HydrophobicContact CB-CD1 4.45Å; L746-L748 HydrophobicContact CD2-CD1 4.19Å; L746-L748 PolarHBondContact O-N 3.19Å; L746-L748 VanDerWaalsContact O-N 3.16Å | ||
| 747 | P | 51.2 | Low | 56.1 | Low | 101 Ų | 101 | 111.4 Ų | 111.4 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | trans | -94 | 73.9 | 175 | 25.7 | -1.8 | 0 | 0 | 0 | 103.7 | F745 T749 | F745-P747 WeakPolarHBondContact O-CD 3.49Å; F745-P747 WeakPolarHBondContact O-CG 3.35Å; P747-T749 PolarHBondContact O-N 2.72Å | ||
| 748 | L | 55.6 | Low | 57.8 | Low | 61 Ų | 61 | 104.1 Ų | 104.1 | 32% | 0.319 | 57% | 0.568 | S | S | . | * | trans | -67.1 | 71.7 | 167.7 | -81.8 | 143.7 | 0 | 0 | 0 | 107 | R727 I730 L746 | R727-L748 PolarHBondContact NH1-O 2.9Å; I730-L748 HydrophobicContact CD1-CD1 3.61Å; L746-L748 HydrophobicContact CB-CD1 4.45Å; L746-L748 HydrophobicContact CD2-CD1 4.19Å; L746-L748 PolarHBondContact O-N 3.19Å; L746-L748 VanDerWaalsContact O-N 3.16Å | ||
| 749 | T | 64 | Low | 59.9 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 34% | 0.344 | 53% | 0.532 | S | S | . | . | trans | -61.1 | 130.5 | 156 | 45.9 | 0 | 0 | 0 | 0 | 105.8 | P747 D751 F760 | P747-T749 PolarHBondContact O-N 2.72Å; T749-D751 PolarHBondContact O-N 2.75Å; T749-F760 HydrophobicContact CG2-CE2 3.74Å; T749-F760 HydrophobicContact CG2-CZ 3.74Å | ||
| 750 | P | 66.4 | Low | 62 | Low | 16 Ų | 16 | 91.9 Ų | 91.9 | 10% | 0.104 | 52% | 0.515 | C | S | . | . | trans | -53.9 | 134.3 | 179.5 | 2.7 | -9.6 | 0 | 0 | 0 | 110.8 | D752 L755 | P750-D752 PolarHBondContact O-N 3.08Å; P750-D752 VanDerWaalsContact O-N 3.14Å; P750-L755 HydrophobicContact CB-CB 3.93Å; P750-L755 HydrophobicContact CB-CD2 3.43Å; P750-L755 VanDerWaalsContact CB-CD2 3.43Å; P750-L755 HydrophobicContact CB-CG 3.64Å; P750-L755 HydrophobicContact CG-CB 4.06Å; P750-L755 HydrophobicContact CG-CD2 3.87Å; P750-L755 HydrophobicContact CG-CG 3.59Å | ||
| 751 | D | 69.9 | Low | 64.3 | Low | 165 Ų | 165 | 94.2 Ų | 94.2 | 88% | 0.882 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -58.1 | -29.7 | -174.6 | -69.1 | -36 | 0 | 0 | 0 | 112.6 | T749 P753 | T749-D751 PolarHBondContact O-N 2.75Å; D751-P753 VanDerWaalsContact O-CD 3.32Å; D751-P753 WeakPolarHBondContact O-CD 3.44Å |
| 752 | D | 77.3 | Confident | 66.8 | Low | 67 Ų | 67 | 88 Ų | 88 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -69.1 | 116.2 | 172.9 | -175.5 | -22.3 | 0 | 0 | 0 | 110.3 | P750 K754 L755 A756 | P750-D752 PolarHBondContact O-N 3.08Å; P750-D752 VanDerWaalsContact O-N 3.14Å; D752-K754 PolarHBondContact O-N 2.7Å; D752-K754 VanDerWaalsContact O-N 3.11Å; D752-K754 WeakPolarHBondContact OD1-CB 3.25Å; D752-K754 PolarHBondContact OD1-N 2.75Å; D752-L755 HydrophobicContact CB-CB 3.98Å; D752-L755 PolarHBondContact O-N 3.22Å; D752-A756 PolarHBondContact O-N 2.69Å |
| 753 | P | 78.9 | Confident | 69.3 | Low | 103 Ų | 103 | 88.6 Ų | 88.6 | 67% | 0.669 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.6 | -26.9 | -178.7 | 23.6 | -33.6 | 0 | 0 | 0 | 113.4 | D751 K757 | D751-P753 VanDerWaalsContact O-CD 3.32Å; D751-P753 WeakPolarHBondContact O-CD 3.44Å; P753-K757 WeakPolarHBondContact O-CB 3.2Å; P753-K757 PolarHBondContact O-N 3.14Å; P753-K757 VanDerWaalsContact O-N 3.09Å |
| 754 | K | 79.1 | Confident | 71.4 | Confident | 129 Ų | 129 | 92.8 Ų | 92.8 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -72.1 | -42.9 | 175.6 | -61.6 | -176.7 | -173 | 168.1 | 0 | 111 | Y716 D752 K757 L758 | Y716-K754 HydrophobicContact CE2-CB 4.47Å; Y716-K754 WeakPolarHBondContact OH-CD 3.48Å; D752-K754 PolarHBondContact O-N 2.7Å; D752-K754 VanDerWaalsContact O-N 3.11Å; D752-K754 WeakPolarHBondContact OD1-CB 3.25Å; D752-K754 PolarHBondContact OD1-N 2.75Å; K754-K757 PolarHBondContact O-N 3.14Å; K754-L758 PolarHBondContact O-N 3.37Å |
| 755 | L | 80.3 | Confident | 73.6 | Confident | 10 Ų | 10 | 88.2 Ų | 88.2 | 5% | 0.052 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 177.3 | -170 | 62.4 | 0 | 0 | 0 | 110.9 | E719 L720 P750 D752 K757 L758 Y759 | E719-L755 HydrophobicContact CB-CD2 3.9Å; L720-L755 HydrophobicContact CB-CD1 3.96Å; L720-L755 HydrophobicContact CD1-CD1 3.87Å; L720-L755 HydrophobicContact CG-CD1 4.44Å; P750-L755 HydrophobicContact CB-CB 3.93Å; P750-L755 HydrophobicContact CB-CD2 3.43Å; P750-L755 VanDerWaalsContact CB-CD2 3.43Å; P750-L755 HydrophobicContact CB-CG 3.64Å; P750-L755 HydrophobicContact CG-CB 4.06Å; P750-L755 HydrophobicContact CG-CD2 3.87Å; P750-L755 HydrophobicContact CG-CG 3.59Å; D752-L755 HydrophobicContact CB-CB 3.98Å; D752-L755 PolarHBondContact O-N 3.22Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 2.9Å; L755-L758 PolarHBondContact O-N 3.09Å; L755-Y759 WeakPolarHBondContact O-CB 3.25Å; L755-Y759 PolarHBondContact O-N 2.67Å |
| 756 | A | 80.5 | Confident | 75.5 | Confident | 13 Ų | 13 | 82.4 Ų | 82.4 | 11% | 0.107 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D752 L758 Y759 F760 | D752-A756 PolarHBondContact O-N 2.69Å; A756-L758 VanDerWaalsContact C-N 3.34Å; A756-L758 PolarHBondContact O-N 3.29Å; A756-Y759 PolarHBondContact O-N 3.31Å; A756-F760 WeakPolarHBondContact O-CB 3.45Å; A756-F760 WeakPolarHBondContact O-CD2 3.48Å; A756-F760 PolarHBondContact O-N 3.48Å |
| 757 | K | 83.6 | Confident | 77.5 | Confident | 167 Ų | 167 | 76.7 Ų | 76.7 | 73% | 0.726 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 177.5 | -171.1 | 178.2 | -177.7 | 178.7 | 0 | 112.3 | P753 K754 L755 K761 | P753-K757 WeakPolarHBondContact O-CB 3.2Å; P753-K757 PolarHBondContact O-N 3.14Å; P753-K757 VanDerWaalsContact O-N 3.09Å; K754-K757 PolarHBondContact O-N 3.14Å; L755-K757 VanDerWaalsContact C-N 3.35Å; L755-K757 PolarHBondContact O-N 2.9Å; K757-K761 WeakPolarHBondContact O-CB 3Å; K757-K761 PolarHBondContact O-N 3.33Å |
| 758 | L | 82.9 | Confident | 79.1 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.1 | -179.7 | 63.4 | 0 | 0 | 0 | 111.2 | V710 S714 L720 K754 L755 A756 K761 L762 | V710-L758 HydrophobicContact CG1-CD1 3.99Å; S714-L758 WeakPolarHBondContact OG-CD2 3.41Å; L720-L758 HydrophobicContact CD1-CD2 3.87Å; L720-L758 HydrophobicContact CD1-CG 4.4Å; K754-L758 PolarHBondContact O-N 3.37Å; L755-L758 PolarHBondContact O-N 3.09Å; A756-L758 VanDerWaalsContact C-N 3.34Å; A756-L758 PolarHBondContact O-N 3.29Å; L758-K761 WeakPolarHBondContact O-CB 3.19Å; L758-K761 PolarHBondContact O-N 2.94Å; L758-K761 VanDerWaalsContact O-N 3.15Å; L758-L762 WeakPolarHBondContact O-CG 3.27Å; L758-L762 PolarHBondContact O-N 3.1Å |
| 759 | Y | 84.1 | Confident | 80.5 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.9 | -174.2 | -96.2 | 0 | 0 | 0 | 112.2 | F724 R727 L755 A756 K761 L762 R763 F767 E772 | F724-Y759 HydrophobicContact CD1-CE2 4.49Å; F724-Y759 AromaticContact CE1-CD2 3.92Å; F724-Y759 HydrophobicContact CE1-CD2 3.92Å; F724-Y759 AromaticContact CE1-CE2 3.81Å; F724-Y759 HydrophobicContact CE1-CE2 3.81Å; R727-Y759 PolarHBondContact NE-OH 3.03Å; R727-Y759 PolarHBondContact NH2-OH 3.32Å; L755-Y759 WeakPolarHBondContact O-CB 3.25Å; L755-Y759 PolarHBondContact O-N 2.67Å; A756-Y759 PolarHBondContact O-N 3.31Å; Y759-K761 VanDerWaalsContact C-N 3.29Å; Y759-K761 PolarHBondContact O-N 3.41Å; Y759-L762 WeakPolarHBondContact O-CB 3.41Å; Y759-L762 PolarHBondContact O-N 3.4Å; Y759-R763 HydrophobicContact CD1-CG 4.14Å; Y759-R763 HydrophobicContact CE1-CG 3.76Å; Y759-R763 PolarHBondContact O-N 2.97Å; Y759-R763 VanDerWaalsContact OH-CZ 3.27Å; Y759-R763 PolarHBondContact OH-NE 3.22Å; Y759-R763 PolarHBondContact OH-NH2 3.47Å; Y759-F767 HydrophobicContact CD2-CE1 4.47Å; Y759-F767 HydrophobicContact CE2-CD1 4.16Å; Y759-F767 AromaticContact CE2-CE1 3.94Å; Y759-F767 HydrophobicContact CE2-CE1 3.94Å; Y759-E772 VanDerWaalsContact CE2-OE1 3.22Å; Y759-E772 WeakPolarHBondContact CE2-OE1 3.31Å; Y759-E772 VanDerWaalsContact CZ-OE1 3.26Å; Y759-E772 PolarHBondContact OH-OE1 2.78Å |
| 760 | F | 82.4 | Confident | 81.5 | Confident | 120 Ų | 120 | 75.6 Ų | 75.6 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 172.8 | -85.7 | -66.5 | 0 | 0 | 0 | 112.4 | T749 A756 R763 R764 | T749-F760 HydrophobicContact CG2-CE2 3.74Å; T749-F760 HydrophobicContact CG2-CZ 3.74Å; A756-F760 WeakPolarHBondContact O-CB 3.45Å; A756-F760 WeakPolarHBondContact O-CD2 3.48Å; A756-F760 PolarHBondContact O-N 3.48Å; F760-R763 PolarHBondContact O-N 3.02Å; F760-R764 PolarHBondContact O-N 3.22Å |
| 761 | K | 84.1 | Confident | 82.6 | Confident | 114 Ų | 114 | 75.8 Ų | 75.8 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.5 | -174.9 | -174.4 | 177.1 | -172.7 | 0 | 111 | K757 L758 Y759 R764 Q765 | K757-K761 WeakPolarHBondContact O-CB 3Å; K757-K761 PolarHBondContact O-N 3.33Å; L758-K761 WeakPolarHBondContact O-CB 3.19Å; L758-K761 PolarHBondContact O-N 2.94Å; L758-K761 VanDerWaalsContact O-N 3.15Å; Y759-K761 VanDerWaalsContact C-N 3.29Å; Y759-K761 PolarHBondContact O-N 3.41Å; K761-R764 PolarHBondContact O-N 3.28Å; K761-Q765 WeakPolarHBondContact O-CG 3.43Å; K761-Q765 PolarHBondContact O-N 3.46Å |
| 762 | L | 85.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 175.7 | -70.5 | 171.4 | 0 | 0 | 0 | 111 | I707 V710 V711 L720 L758 Y759 R764 Q765 G766 F767 | I707-L762 HydrophobicContact CG2-CD2 4.3Å; V710-L762 HydrophobicContact CB-CD2 4.08Å; V710-L762 HydrophobicContact CG1-CD2 3.67Å; V710-L762 HydrophobicContact CG1-CG 4.44Å; V711-L762 HydrophobicContact CG2-CD1 3.79Å; V711-L762 HydrophobicContact CG2-CD2 3.93Å; L720-L762 HydrophobicContact CD1-CD1 4.1Å; L758-L762 WeakPolarHBondContact O-CG 3.27Å; L758-L762 PolarHBondContact O-N 3.1Å; Y759-L762 WeakPolarHBondContact O-CB 3.41Å; Y759-L762 PolarHBondContact O-N 3.4Å; L762-R764 VanDerWaalsContact C-N 3.32Å; L762-R764 PolarHBondContact O-N 3.09Å; L762-Q765 CarbonylContact O-C 3.43Å; L762-Q765 WeakPolarHBondContact O-CA 3.39Å; L762-Q765 WeakPolarHBondContact O-CB 3.42Å; L762-Q765 PolarHBondContact O-N 3.17Å; L762-G766 PolarHBondContact O-N 3.06Å; L762-F767 HydrophobicContact CB-CB 3.76Å; L762-F767 HydrophobicContact CB-CD1 4.06Å; L762-F767 HydrophobicContact CB-CG 3.91Å; L762-F767 WeakPolarHBondContact O-CB 3.19Å; L762-F767 PolarHBondContact O-N 3.08Å |
| 763 | R | 85 | Confident | 83.9 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 176.4 | -74.2 | -59.9 | -160.9 | 166.9 | 4.8 | 112.5 | Y759 F760 Q765 G766 F767 D769 E772 | Y759-R763 HydrophobicContact CD1-CG 4.14Å; Y759-R763 HydrophobicContact CE1-CG 3.76Å; Y759-R763 PolarHBondContact O-N 2.97Å; Y759-R763 VanDerWaalsContact OH-CZ 3.27Å; Y759-R763 PolarHBondContact OH-NE 3.22Å; Y759-R763 PolarHBondContact OH-NH2 3.47Å; F760-R763 PolarHBondContact O-N 3.02Å; R763-Q765 PolarHBondContact O-N 3.2Å; R763-G766 PolarHBondContact O-N 3.48Å; R763-F767 WeakPolarHBondContact CD-O 3.35Å; R763-F767 PolarHBondContact NH1-O 3.43Å; R763-D769 IonicContact CZ-OD1 2.71Å; R763-D769 VanDerWaalsContact CZ-OD1 3.24Å; R763-D769 IonicContact NH1-OD1 2.65Å; R763-D769 PolarHBondContact NH1-OD1 3.48Å; R763-D769 IonicContact NH2-OD1 3.84Å; R763-D769 PolarHBondContact NH2-OD1 3.36Å; R763-E772 IonicContact NH2-OE1 3.81Å |
| 764 | R | 82.4 | Confident | 84.4 | Confident | 234 Ų | 234 | 62.7 Ų | 62.7 | 88% | 0.883 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -26.5 | 174.1 | -80.2 | -174.6 | 174.2 | -176.4 | -0.5 | 113.6 | F760 K761 L762 G766 | F760-R764 PolarHBondContact O-N 3.22Å; K761-R764 PolarHBondContact O-N 3.28Å; L762-R764 VanDerWaalsContact C-N 3.32Å; L762-R764 PolarHBondContact O-N 3.09Å; R764-G766 VanDerWaalsContact C-N 3.29Å |
| 765 | Q | 83.7 | Confident | 85 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 40% | 0.402 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.2 | 175.4 | -69.4 | -179.3 | -23.8 | 0 | 0 | 113.3 | I707 K761 L762 R763 | I707-Q765 HydrophobicContact CG1-CB 4.41Å; K761-Q765 WeakPolarHBondContact O-CG 3.43Å; K761-Q765 PolarHBondContact O-N 3.46Å; L762-Q765 CarbonylContact O-C 3.43Å; L762-Q765 WeakPolarHBondContact O-CA 3.39Å; L762-Q765 WeakPolarHBondContact O-CB 3.42Å; L762-Q765 PolarHBondContact O-N 3.17Å; R763-Q765 PolarHBondContact O-N 3.2Å |
| 766 | G | 83.9 | Confident | 85.4 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 23.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L762 R763 R764 T768 H771 | L762-G766 PolarHBondContact O-N 3.06Å; R763-G766 PolarHBondContact O-N 3.48Å; R764-G766 VanDerWaalsContact C-N 3.29Å; G766-T768 PolarHBondContact O-N 3.13Å; G766-H771 PolarHBondContact O-CE1 2.98Å; G766-H771 PolarHBondContact O-ND1 2.74Å |
| 767 | F | 86.2 | Confident | 85.7 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | trans | -67.4 | 124.5 | 172.7 | -167.7 | -116.8 | 0 | 0 | 0 | 111.2 | I707 F724 Y759 L762 R763 H771 E772 F775 | I707-F767 HydrophobicContact CD1-CB 4.38Å; I707-F767 HydrophobicContact CD1-CD2 4.49Å; I707-F767 HydrophobicContact CG2-CD2 3.54Å; I707-F767 HydrophobicContact CG2-CE2 4.01Å; F724-F767 AromaticContact CE1-CE1 3.67Å; F724-F767 HydrophobicContact CE1-CE1 3.67Å; F724-F767 AromaticContact CE1-CZ 3.92Å; F724-F767 HydrophobicContact CE1-CZ 3.92Å; F724-F767 HydrophobicContact CE2-CE1 4.29Å; F724-F767 AromaticContact CE2-CZ 3.67Å; F724-F767 HydrophobicContact CE2-CZ 3.67Å; F724-F767 AromaticContact CZ-CE1 3.48Å; F724-F767 HydrophobicContact CZ-CE1 3.48Å; F724-F767 VanDerWaalsContact CZ-CE1 3.48Å; F724-F767 HydrophobicContact CZ-CE2 4.43Å; F724-F767 AromaticContact CZ-CZ 3.3Å; F724-F767 HydrophobicContact CZ-CZ 3.3Å; Y759-F767 HydrophobicContact CD2-CE1 4.47Å; Y759-F767 HydrophobicContact CE2-CD1 4.16Å; Y759-F767 AromaticContact CE2-CE1 3.94Å; Y759-F767 HydrophobicContact CE2-CE1 3.94Å; L762-F767 HydrophobicContact CB-CB 3.76Å; L762-F767 HydrophobicContact CB-CD1 4.06Å; L762-F767 HydrophobicContact CB-CG 3.91Å; L762-F767 WeakPolarHBondContact O-CB 3.19Å; L762-F767 PolarHBondContact O-N 3.08Å; R763-F767 WeakPolarHBondContact CD-O 3.35Å; R763-F767 PolarHBondContact NH1-O 3.43Å; F767-H771 HydrophobicContact CD2-CB 3.59Å; F767-H771 HydrophobicContact CE2-CB 3.45Å; F767-H771 VanDerWaalsContact CE2-CB 3.45Å; F767-H771 HydrophobicContact CZ-CB 4.27Å; F767-E772 HydrophobicContact CD1-CG 4.37Å; F767-E772 HydrophobicContact CE1-CG 3.38Å; F767-E772 HydrophobicContact CZ-CB 4.37Å; F767-E772 HydrophobicContact CZ-CG 3.59Å; F767-F775 AromaticContact CE2-CD2 3.68Å; F767-F775 HydrophobicContact CE2-CD2 3.68Å; F767-F775 AromaticContact CE2-CE2 3.62Å; F767-F775 HydrophobicContact CE2-CE2 3.62Å; F767-F775 HydrophobicContact CZ-CD2 4Å; F767-F775 HydrophobicContact CZ-CE2 4.36Å | ||
| 768 | T | 86.5 | Confident | 85.9 | Confident | 56 Ų | 56 | 50.9 Ų | 50.9 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | trans | -115.1 | 167.7 | -175.5 | 64.1 | 0 | 0 | 0 | 0 | 110.2 | G766 E770 H771 E772 | G766-T768 PolarHBondContact O-N 3.13Å; T768-E770 PolarHBondContact O-N 3.09Å; T768-H771 PolarHBondContact N-ND1 3.19Å; T768-H771 VanDerWaalsContact N-ND1 3.18Å; T768-H771 WeakPolarHBondContact O-CB 3.34Å; T768-H771 PolarHBondContact O-N 2.9Å; T768-H771 PolarHBondContact OG1-CE1 3.28Å; T768-H771 VanDerWaalsContact OG1-CG 3.29Å; T768-H771 PolarHBondContact OG1-N 2.92Å; T768-H771 PolarHBondContact OG1-ND1 3.46Å; T768-E772 PolarHBondContact O-N 3.49Å | ||
| 769 | D | 84.5 | Confident | 86.1 | Confident | 57 Ų | 57 | 50.6 Ų | 50.6 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -32.8 | 177 | -67.9 | 33.3 | 0 | 0 | 0 | 111.2 | R731 R763 H771 E772 D773 | R731-D769 IonicContact CZ-OD2 3.68Å; R731-D769 IonicContact NH1-OD2 3.77Å; R731-D769 PolarHBondContact NH1-OD2 3.38Å; R763-D769 IonicContact CZ-OD1 2.71Å; R763-D769 VanDerWaalsContact CZ-OD1 3.24Å; R763-D769 IonicContact NH1-OD1 2.65Å; R763-D769 PolarHBondContact NH1-OD1 3.48Å; R763-D769 IonicContact NH2-OD1 3.84Å; R763-D769 PolarHBondContact NH2-OD1 3.36Å; D769-H771 VanDerWaalsContact C-N 3.28Å; D769-H771 PolarHBondContact O-N 2.93Å; D769-E772 WeakPolarHBondContact O-CB 3.27Å; D769-E772 PolarHBondContact O-N 3.1Å; D769-D773 PolarHBondContact O-N 2.83Å; D769-D773 VanDerWaalsContact O-N 3.13Å |
| 770 | E | 85.1 | Confident | 85.9 | Confident | 82 Ų | 82 | 54.5 Ų | 54.5 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 171.4 | -64.6 | -159.5 | 156.7 | 0 | 0 | 112.3 | R644 K700 T768 D773 V774 | R644-E770 IonicContact CZ-OE2 3.71Å; R644-E770 IonicContact NH1-OE2 2.69Å; R644-E770 PolarHBondContact NH1-OE2 3.17Å; R644-E770 VanDerWaalsContact NH1-OE2 3.08Å; R644-E770 IonicContact NH2-OE2 3.4Å; K700-E770 IonicContact NZ-OE1 3.97Å; K700-E770 PolarHBondContact NZ-OE1 2.95Å; T768-E770 PolarHBondContact O-N 3.09Å; E770-D773 PolarHBondContact O-N 3.46Å; E770-V774 WeakPolarHBondContact O-CG2 3.32Å; E770-V774 PolarHBondContact O-N 3.44Å |
| 771 | H | 88.5 | Confident | 85.7 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 175.6 | -60.5 | 150.7 | 0 | 0 | 0 | 110.8 | G766 F767 T768 D769 D773 V774 F775 | G766-H771 PolarHBondContact O-CE1 2.98Å; G766-H771 PolarHBondContact O-ND1 2.74Å; F767-H771 HydrophobicContact CD2-CB 3.59Å; F767-H771 HydrophobicContact CE2-CB 3.45Å; F767-H771 VanDerWaalsContact CE2-CB 3.45Å; F767-H771 HydrophobicContact CZ-CB 4.27Å; T768-H771 PolarHBondContact N-ND1 3.19Å; T768-H771 VanDerWaalsContact N-ND1 3.18Å; T768-H771 WeakPolarHBondContact O-CB 3.34Å; T768-H771 PolarHBondContact O-N 2.9Å; T768-H771 PolarHBondContact OG1-CE1 3.28Å; T768-H771 VanDerWaalsContact OG1-CG 3.29Å; T768-H771 PolarHBondContact OG1-N 2.92Å; T768-H771 PolarHBondContact OG1-ND1 3.46Å; D769-H771 VanDerWaalsContact C-N 3.28Å; D769-H771 PolarHBondContact O-N 2.93Å; H771-D773 VanDerWaalsContact C-N 3.33Å; H771-D773 PolarHBondContact O-N 3.26Å; H771-V774 PolarHBondContact O-N 3.26Å; H771-F775 WeakPolarHBondContact O-CD2 3.23Å; H771-F775 PolarHBondContact O-N 2.89Å |
| 772 | E | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.3 | -47.6 | 173.3 | -66.6 | 179.9 | -178 | 0 | 0 | 111.4 | F724 R727 R731 Y759 R763 F767 T768 D769 V774 F775 V776 | F724-E772 HydrophobicContact CB-CB 4.32Å; F724-E772 HydrophobicContact CD1-CB 4.39Å; F724-E772 HydrophobicContact CD1-CG 3.86Å; F724-E772 HydrophobicContact CE1-CG 4.09Å; F724-E772 HydrophobicContact CG-CB 4.22Å; F724-E772 HydrophobicContact CG-CG 4.18Å; R727-E772 IonicContact CZ-OE1 3.89Å; R727-E772 IonicContact NE-OE1 3.17Å; R727-E772 PolarHBondContact NE-OE1 3.23Å; R727-E772 VanDerWaalsContact NE-OE1 3.15Å; R727-E772 IonicContact NE-OE2 3.15Å; R727-E772 PolarHBondContact NE-OE2 3.43Å; R727-E772 IonicContact NH2-OE1 2.86Å; R731-E772 IonicContact CZ-OE2 2.66Å; R731-E772 VanDerWaalsContact CZ-OE2 3.28Å; R731-E772 IonicContact NH1-OE2 3.43Å; R731-E772 PolarHBondContact NH1-OE2 3.38Å; R731-E772 IonicContact NH2-OE2 3.17Å; R731-E772 PolarHBondContact NH2-OE2 3.48Å; Y759-E772 VanDerWaalsContact CE2-OE1 3.22Å; Y759-E772 WeakPolarHBondContact CE2-OE1 3.31Å; Y759-E772 VanDerWaalsContact CZ-OE1 3.26Å; Y759-E772 PolarHBondContact OH-OE1 2.78Å; R763-E772 IonicContact NH2-OE1 3.81Å; F767-E772 HydrophobicContact CD1-CG 4.37Å; F767-E772 HydrophobicContact CE1-CG 3.38Å; F767-E772 HydrophobicContact CZ-CB 4.37Å; F767-E772 HydrophobicContact CZ-CG 3.59Å; T768-E772 PolarHBondContact O-N 3.49Å; D769-E772 WeakPolarHBondContact O-CB 3.27Å; D769-E772 PolarHBondContact O-N 3.1Å; E772-V774 VanDerWaalsContact C-N 3.27Å; E772-V774 PolarHBondContact O-N 2.81Å; E772-F775 PolarHBondContact O-N 3.09Å; E772-V776 WeakPolarHBondContact O-CG2 3.23Å; E772-V776 PolarHBondContact O-N 2.86Å |
| 773 | D | 87.5 | Confident | 85.6 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -35.7 | -178.5 | -63.6 | -18.2 | 0 | 0 | 0 | 111.9 | H728 R731 D769 E770 H771 V776 S777 | H728-D773 IonicContact CE1-OD1 3.12Å; H728-D773 IonicContact CG-OD1 3.56Å; H728-D773 IonicContact ND1-OD1 3.89Å; H728-D773 PolarHBondContact ND1-OD1 2.77Å; H728-D773 IonicContact ND1-OD2 3.25Å; R731-D773 IonicContact CZ-OD1 3.93Å; R731-D773 IonicContact NE-OD1 3.97Å; R731-D773 IonicContact NH2-OD1 3.14Å; R731-D773 PolarHBondContact NH2-OD1 3.37Å; D769-D773 PolarHBondContact O-N 2.83Å; D769-D773 VanDerWaalsContact O-N 3.13Å; E770-D773 PolarHBondContact O-N 3.46Å; H771-D773 VanDerWaalsContact C-N 3.33Å; H771-D773 PolarHBondContact O-N 3.26Å; D773-V776 PolarHBondContact O-N 3.23Å; D773-S777 PolarHBondContact O-N 2.89Å |
| 774 | V | 89.6 | Confident | 85.1 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 172.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | R644 V703 E770 H771 E772 V776 S777 F778 | R644-V774 HydrophobicContact CB-CG1 3.86Å; R644-V774 HydrophobicContact CB-CG2 3.81Å; R644-V774 HydrophobicContact CG-CG2 3.88Å; V703-V774 HydrophobicContact CG2-CB 4.18Å; V703-V774 HydrophobicContact CG2-CG1 3.81Å; E770-V774 WeakPolarHBondContact O-CG2 3.32Å; E770-V774 PolarHBondContact O-N 3.44Å; H771-V774 PolarHBondContact O-N 3.26Å; E772-V774 VanDerWaalsContact C-N 3.27Å; E772-V774 PolarHBondContact O-N 2.81Å; V774-V776 VanDerWaalsContact C-N 3.32Å; V774-V776 PolarHBondContact O-N 3.5Å; V774-S777 PolarHBondContact O-N 3.02Å; V774-S777 PolarHBondContact O-OG 3.46Å; V774-F778 HydrophobicContact CG1-CD2 3.95Å; V774-F778 HydrophobicContact CG1-CE2 4.09Å; V774-F778 WeakPolarHBondContact O-CD2 3.47Å; V774-F778 PolarHBondContact O-N 3.36Å; V774-F778 VanDerWaalsContact O-N 3.14Å |
| 775 | F | 90.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -34 | 176 | -78.1 | -69.6 | 0 | 0 | 0 | 112.6 | V703 I707 W708 V711 V712 L721 F724 F767 H771 E772 F778 A779 L782 | V703-F775 HydrophobicContact CG1-CE2 3.97Å; V703-F775 HydrophobicContact CG1-CZ 3.97Å; I707-F775 HydrophobicContact CG2-CE2 4.15Å; I707-F775 HydrophobicContact CG2-CZ 4.41Å; W708-F775 HydrophobicContact CD2-CE1 4.24Å; W708-F775 HydrophobicContact CD2-CZ 4.48Å; W708-F775 AromaticContact CE3-CE1 3.59Å; W708-F775 HydrophobicContact CE3-CE1 3.59Å; W708-F775 AromaticContact CE3-CZ 3.78Å; W708-F775 HydrophobicContact CE3-CZ 3.78Å; W708-F775 HydrophobicContact CZ3-CD1 4.41Å; W708-F775 AromaticContact CZ3-CE1 3.88Å; W708-F775 HydrophobicContact CZ3-CE1 3.88Å; W708-F775 HydrophobicContact CZ3-CZ 4.39Å; V711-F775 HydrophobicContact CB-CD1 4.31Å; V711-F775 HydrophobicContact CB-CE1 3.67Å; V711-F775 HydrophobicContact CB-CE2 4.33Å; V711-F775 HydrophobicContact CB-CZ 3.7Å; V711-F775 HydrophobicContact CG1-CD1 3.5Å; V711-F775 HydrophobicContact CG1-CD2 4.44Å; V711-F775 HydrophobicContact CG1-CE1 3.36Å; V711-F775 HydrophobicContact CG1-CE2 4.36Å; V711-F775 HydrophobicContact CG1-CG 4.07Å; V711-F775 HydrophobicContact CG1-CZ 3.83Å; V711-F775 HydrophobicContact CG2-CE1 4.24Å; V711-F775 HydrophobicContact CG2-CE2 3.99Å; V711-F775 HydrophobicContact CG2-CZ 3.81Å; V712-F775 HydrophobicContact CG2-CE1 4.42Å; L721-F775 HydrophobicContact CD2-CB 4.12Å; L721-F775 WeakPolarHBondContact CD2-O 3.48Å; F724-F775 HydrophobicContact CD2-CB 3.71Å; F724-F775 HydrophobicContact CD2-CG 4.44Å; F724-F775 HydrophobicContact CE2-CB 3.9Å; F724-F775 HydrophobicContact CE2-CD2 4.17Å; F724-F775 HydrophobicContact CE2-CG 4.14Å; F767-F775 AromaticContact CE2-CD2 3.68Å; F767-F775 HydrophobicContact CE2-CD2 3.68Å; F767-F775 AromaticContact CE2-CE2 3.62Å; F767-F775 HydrophobicContact CE2-CE2 3.62Å; F767-F775 HydrophobicContact CZ-CD2 4Å; F767-F775 HydrophobicContact CZ-CE2 4.36Å; H771-F775 WeakPolarHBondContact O-CD2 3.23Å; H771-F775 PolarHBondContact O-N 2.89Å; E772-F775 PolarHBondContact O-N 3.09Å; F775-F778 CarbonylContact O-C 3.08Å; F775-F778 PolarHBondContact O-N 3.5Å; F775-A779 PolarHBondContact O-N 2.91Å; F775-L782 HydrophobicContact CD1-CD1 3.73Å; F775-L782 HydrophobicContact CE1-CD1 4.3Å |
| 776 | V | 89 | Confident | 84.2 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.1 | 174 | 0 | 0 | 0 | 0 | 110.9 | F724 R725 H728 E772 D773 V774 F778 A779 | F724-V776 HydrophobicContact CB-CG2 3.62Å; R725-V776 HydrophobicContact CB-CG2 4.44Å; H728-V776 HydrophobicContact CB-CG2 4.28Å; E772-V776 WeakPolarHBondContact O-CG2 3.23Å; E772-V776 PolarHBondContact O-N 2.86Å; D773-V776 PolarHBondContact O-N 3.23Å; V774-V776 VanDerWaalsContact C-N 3.32Å; V774-V776 PolarHBondContact O-N 3.5Å; V776-F778 VanDerWaalsContact C-N 3.25Å; V776-F778 PolarHBondContact O-N 3.33Å; V776-A779 WeakPolarHBondContact O-CB 3.17Å; V776-A779 PolarHBondContact O-N 2.88Å; V776-A779 VanDerWaalsContact O-N 3.14Å |
| 777 | S | 87.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.5 | -25.1 | 177.6 | 72 | 0 | 0 | 0 | 0 | 113.2 | Y681 D773 V774 | Y681-S777 PolarHBondContact OH-OG 3.38Å; D773-S777 PolarHBondContact O-N 2.89Å; V774-S777 PolarHBondContact O-N 3.02Å; V774-S777 PolarHBondContact O-OG 3.46Å |
| 778 | F | 88.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.2 | 171.9 | -86.1 | -71.9 | 0 | 0 | 0 | 114.9 | P641 F642 H645 W708 V774 F775 V776 T780 N781 L782 | P641-F778 VanDerWaalsContact C-CE2 3.44Å; P641-F778 HydrophobicContact CB-CD1 4.12Å; P641-F778 HydrophobicContact CB-CD2 3.78Å; P641-F778 HydrophobicContact CB-CE1 3.9Å; P641-F778 HydrophobicContact CB-CE2 3.55Å; P641-F778 HydrophobicContact CB-CG 4.07Å; P641-F778 HydrophobicContact CB-CZ 3.63Å; P641-F778 WeakPolarHBondContact O-CE2 3.02Å; P641-F778 WeakPolarHBondContact O-CZ 3.1Å; F642-F778 HydrophobicContact CB-CZ 4.5Å; F642-F778 HydrophobicContact CD1-CE1 4.12Å; F642-F778 HydrophobicContact CD1-CZ 4.02Å; F642-F778 HydrophobicContact CD2-CE1 4.11Å; F642-F778 HydrophobicContact CD2-CZ 4.3Å; F642-F778 AromaticContact CE1-CE1 3.97Å; F642-F778 HydrophobicContact CE1-CE1 3.97Å; F642-F778 HydrophobicContact CE1-CZ 4.31Å; F642-F778 AromaticContact CE2-CE1 3.98Å; F642-F778 HydrophobicContact CE2-CE1 3.98Å; F642-F778 HydrophobicContact CG-CE1 4.2Å; F642-F778 HydrophobicContact CG-CZ 4.02Å; F642-F778 AromaticContact CZ-CE1 3.9Å; F642-F778 HydrophobicContact CZ-CE1 3.9Å; H645-F778 HydrophobicContact CB-CZ 4.45Å; W708-F778 HydrophobicContact CH2-CD1 4.22Å; W708-F778 AromaticContact CH2-CD2 3.79Å; W708-F778 HydrophobicContact CH2-CD2 3.79Å; W708-F778 HydrophobicContact CH2-CE1 4.3Å; W708-F778 AromaticContact CH2-CE2 3.86Å; W708-F778 HydrophobicContact CH2-CE2 3.86Å; W708-F778 AromaticContact CH2-CG 3.96Å; W708-F778 HydrophobicContact CH2-CG 3.96Å; W708-F778 HydrophobicContact CH2-CZ 4.11Å; W708-F778 AromaticContact CZ3-CD2 3.95Å; W708-F778 HydrophobicContact CZ3-CD2 3.95Å; W708-F778 HydrophobicContact CZ3-CE2 4.07Å; W708-F778 HydrophobicContact CZ3-CG 4.49Å; V774-F778 HydrophobicContact CG1-CD2 3.95Å; V774-F778 HydrophobicContact CG1-CE2 4.09Å; V774-F778 WeakPolarHBondContact O-CD2 3.47Å; V774-F778 PolarHBondContact O-N 3.36Å; V774-F778 VanDerWaalsContact O-N 3.14Å; F775-F778 CarbonylContact O-C 3.08Å; F775-F778 PolarHBondContact O-N 3.5Å; V776-F778 VanDerWaalsContact C-N 3.25Å; V776-F778 PolarHBondContact O-N 3.33Å; F778-T780 PolarHBondContact O-N 2.73Å; F778-N781 HydrophobicContact CD1-CB 4.38Å; F778-N781 WeakPolarHBondContact O-CB 3.3Å; F778-N781 PolarHBondContact O-N 3.28Å; F778-L782 HydrophobicContact CB-CD1 3.83Å; F778-L782 HydrophobicContact CB-CG 3.98Å; F778-L782 WeakPolarHBondContact O-CG 3.4Å; F778-L782 PolarHBondContact O-N 2.98Å |
| 779 | A | 86.1 | Confident | 81.8 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L721 F775 V776 N781 L782 L783 | L721-A779 HydrophobicContact CD1-CB 4.13Å; L721-A779 HydrophobicContact CD2-CB 4.14Å; F775-A779 PolarHBondContact O-N 2.91Å; V776-A779 WeakPolarHBondContact O-CB 3.17Å; V776-A779 PolarHBondContact O-N 2.88Å; V776-A779 VanDerWaalsContact O-N 3.14Å; A779-N781 VanDerWaalsContact C-N 3.3Å; A779-N781 PolarHBondContact O-N 3.35Å; A779-L782 PolarHBondContact O-N 2.88Å; A779-L783 WeakPolarHBondContact O-CB 3.24Å; A779-L783 VanDerWaalsContact O-CG 3.26Å; A779-L783 WeakPolarHBondContact O-CG 3.45Å; A779-L783 PolarHBondContact O-N 3.49Å |
| 780 | T | 79.1 | Confident | 81 | Confident | 95 Ų | 95 | 42.5 Ų | 42.5 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.8 | -40.7 | 176.5 | 10.5 | 0 | 0 | 0 | 0 | 112.3 | F778 R784 | F778-T780 PolarHBondContact O-N 2.73Å; T780-R784 PolarHBondContact O-N 2.64Å |
| 781 | N | 79.3 | Confident | 79.9 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.8 | -45.4 | -177.8 | -58.6 | 0.6 | 0 | 0 | 0 | 110.3 | R604 F778 A779 R784 V785 | R604-N781 HydrophobicContact CG-CB 4.37Å; R604-N781 VanDerWaalsContact CG-OD1 3.31Å; R604-N781 WeakPolarHBondContact CG-OD1 3.14Å; R604-N781 PolarHBondContact NE-OD1 2.73Å; F778-N781 HydrophobicContact CD1-CB 4.38Å; F778-N781 WeakPolarHBondContact O-CB 3.3Å; F778-N781 PolarHBondContact O-N 3.28Å; A779-N781 VanDerWaalsContact C-N 3.3Å; A779-N781 PolarHBondContact O-N 3.35Å; N781-R784 PolarHBondContact O-N 2.62Å; N781-V785 WeakPolarHBondContact O-CG2 3.39Å; N781-V785 PolarHBondContact O-N 2.97Å |
| 782 | L | 85.3 | Confident | 78.3 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | -178 | -69 | 178 | 0 | 0 | 0 | 112.9 | W708 V712 L717 L721 F775 F778 A779 R784 V785 R786 | W708-L782 HydrophobicContact CH2-CD2 4.42Å; W708-L782 HydrophobicContact CZ2-CD2 4.14Å; V712-L782 HydrophobicContact CB-CD2 4.48Å; V712-L782 HydrophobicContact CG1-CD2 4.15Å; V712-L782 HydrophobicContact CG2-CD1 4.31Å; V712-L782 HydrophobicContact CG2-CD2 3.55Å; L717-L782 HydrophobicContact CD2-CB 4.19Å; L721-L782 HydrophobicContact CD1-CB 4.28Å; L721-L782 HydrophobicContact CD2-CD1 4.48Å; F775-L782 HydrophobicContact CD1-CD1 3.73Å; F775-L782 HydrophobicContact CE1-CD1 4.3Å; F778-L782 HydrophobicContact CB-CD1 3.83Å; F778-L782 HydrophobicContact CB-CG 3.98Å; F778-L782 WeakPolarHBondContact O-CG 3.4Å; F778-L782 PolarHBondContact O-N 2.98Å; A779-L782 PolarHBondContact O-N 2.88Å; L782-R784 VanDerWaalsContact C-N 3.32Å; L782-R784 PolarHBondContact O-N 2.82Å; L782-V785 PolarHBondContact O-N 2.55Å; L782-R786 PolarHBondContact O-N 3.26Å |
| 783 | L | 82.6 | Confident | 76.7 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 173.8 | -73.4 | 175.3 | 0 | 0 | 0 | 111.8 | P718 L721 A779 R786 A787 | P718-L783 HydrophobicContact CB-CD2 3.87Å; P718-L783 HydrophobicContact CG-CD2 3.72Å; L721-L783 HydrophobicContact CD1-CD1 4.47Å; L721-L783 HydrophobicContact CD1-CD2 3.97Å; L721-L783 HydrophobicContact CD1-CG 3.81Å; A779-L783 WeakPolarHBondContact O-CB 3.24Å; A779-L783 VanDerWaalsContact O-CG 3.26Å; A779-L783 WeakPolarHBondContact O-CG 3.45Å; A779-L783 PolarHBondContact O-N 3.49Å; L783-R786 PolarHBondContact O-N 3.15Å; L783-A787 PolarHBondContact O-N 2.89Å |
| 784 | R | 73 | Confident | 74.4 | Confident | 85 Ų | 85 | 56 Ų | 56 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69 | -44.1 | 177.1 | -167.2 | 174.2 | -177.7 | 140.9 | -1.2 | 112.1 | T780 N781 L782 R786 A787 I788 | T780-R784 PolarHBondContact O-N 2.64Å; N781-R784 PolarHBondContact O-N 2.62Å; L782-R784 VanDerWaalsContact C-N 3.32Å; L782-R784 PolarHBondContact O-N 2.82Å; R784-R786 PolarHBondContact O-N 3.21Å; R784-A787 PolarHBondContact O-N 3.31Å; R784-I788 HydrophobicContact CG-CD1 4.23Å; R784-I788 WeakPolarHBondContact O-CG1 3.48Å; R784-I788 PolarHBondContact O-N 3.3Å |
| 785 | V | 72.8 | Confident | 71.7 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 174.9 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | C606 N781 L782 R789 | C606-V785 HydrophobicContact CB-CG1 3.91Å; C606-V785 HydrophobicContact CB-CG2 4.49Å; N781-V785 WeakPolarHBondContact O-CG2 3.39Å; N781-V785 PolarHBondContact O-N 2.97Å; L782-V785 PolarHBondContact O-N 2.55Å; V785-R789 WeakPolarHBondContact O-CG 3.41Å; V785-R789 PolarHBondContact O-N 2.91Å |
| 786 | R | 75.6 | Confident | 69.3 | Low | 49 Ų | 49 | 63.4 Ų | 63.4 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -49.3 | 174.4 | 177.8 | 177.4 | 171.5 | 160.8 | 0.6 | 112 | P715 L717 L782 L783 R784 I788 R789 E790 | P715-R786 VanDerWaalsContact O-CZ 3.28Å; P715-R786 PolarHBondContact O-NH1 2.83Å; P715-R786 PolarHBondContact O-NH2 3.39Å; L717-R786 HydrophobicContact CD2-CB 4.03Å; L782-R786 PolarHBondContact O-N 3.26Å; L783-R786 PolarHBondContact O-N 3.15Å; R784-R786 PolarHBondContact O-N 3.21Å; R786-I788 PolarHBondContact O-N 3.16Å; R786-R789 CarbonylContact O-C 3.56Å; R786-R789 PolarHBondContact O-N 3.34Å; R786-E790 HydrophobicContact CG-CG 4.21Å; R786-E790 IonicContact CZ-OE1 3.61Å; R786-E790 IonicContact NE-OE1 3.85Å; R786-E790 PolarHBondContact NE-OE1 3.19Å; R786-E790 IonicContact NE-OE2 3.64Å; R786-E790 IonicContact NH2-OE1 2.81Å; R786-E790 PolarHBondContact NH2-OE1 2.99Å; R786-E790 PolarHBondContact O-N 2.87Å |
| 787 | A | 72.5 | Confident | 66.7 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.2 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L783 R784 N791 | L783-A787 PolarHBondContact O-N 2.89Å; R784-A787 PolarHBondContact O-N 3.31Å; A787-N791 VanDerWaalsContact O-CB 3.31Å; A787-N791 WeakPolarHBondContact O-CB 3.28Å; A787-N791 VanDerWaalsContact O-CG 3.23Å; A787-N791 PolarHBondContact O-N 2.9Å; A787-N791 PolarHBondContact O-ND2 2.72Å |
| 788 | I | 66.2 | Low | 64.1 | Low | 61 Ų | 61 | 68.1 Ų | 68.1 | 31% | 0.313 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.1 | -66.1 | 165.7 | 0 | 0 | 0 | 110.6 | R784 R786 E790 N791 S792 | R784-I788 HydrophobicContact CG-CD1 4.23Å; R784-I788 WeakPolarHBondContact O-CG1 3.48Å; R784-I788 PolarHBondContact O-N 3.3Å; R786-I788 PolarHBondContact O-N 3.16Å; I788-E790 VanDerWaalsContact C-N 3.35Å; I788-E790 PolarHBondContact O-N 3.27Å; I788-N791 PolarHBondContact O-N 3.15Å; I788-S792 PolarHBondContact O-N 2.95Å; I788-S792 PolarHBondContact O-OG 3.31Å; I788-S792 VanDerWaalsContact O-OG 3.08Å |
| 789 | R | 66.9 | Low | 61.3 | Low | 122 Ų | 122 | 75.9 Ų | 75.9 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 177.5 | -77 | -179.4 | 176.7 | 176.4 | 0.9 | 113.3 | V785 R786 R793 | V785-R789 WeakPolarHBondContact O-CG 3.41Å; V785-R789 PolarHBondContact O-N 2.91Å; R786-R789 CarbonylContact O-C 3.56Å; R786-R789 PolarHBondContact O-N 3.34Å; R789-R793 WeakPolarHBondContact O-CG 3.43Å; R789-R793 PolarHBondContact O-N 3.43Å |
| 790 | E | 68.8 | Low | 58.9 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 176.2 | -76.9 | 178.5 | 162 | 0 | 0 | 110.9 | R786 I788 S792 R793 M794 | R786-E790 HydrophobicContact CG-CG 4.21Å; R786-E790 IonicContact CZ-OE1 3.61Å; R786-E790 IonicContact NE-OE1 3.85Å; R786-E790 PolarHBondContact NE-OE1 3.19Å; R786-E790 IonicContact NE-OE2 3.64Å; R786-E790 IonicContact NH2-OE1 2.81Å; R786-E790 PolarHBondContact NH2-OE1 2.99Å; R786-E790 PolarHBondContact O-N 2.87Å; I788-E790 VanDerWaalsContact C-N 3.35Å; I788-E790 PolarHBondContact O-N 3.27Å; E790-S792 VanDerWaalsContact C-N 3.32Å; E790-S792 PolarHBondContact O-N 3.12Å; E790-R793 CarbonylContact O-C 3.52Å; E790-R793 WeakPolarHBondContact O-CA 3.44Å; E790-R793 WeakPolarHBondContact O-CB 3.33Å; E790-R793 PolarHBondContact O-N 3.44Å; E790-M794 WeakPolarHBondContact O-CG 3.1Å; E790-M794 PolarHBondContact O-N 3.1Å |
| 791 | N | 61.3 | Low | 56.7 | Low | 85 Ų | 85 | 86.1 Ų | 86.1 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 174.1 | -76 | -15.6 | 0 | 0 | 0 | 112.3 | A787 I788 R793 M794 M795 | A787-N791 VanDerWaalsContact O-CB 3.31Å; A787-N791 WeakPolarHBondContact O-CB 3.28Å; A787-N791 VanDerWaalsContact O-CG 3.23Å; A787-N791 PolarHBondContact O-N 2.9Å; A787-N791 PolarHBondContact O-ND2 2.72Å; I788-N791 PolarHBondContact O-N 3.15Å; N791-R793 PolarHBondContact O-N 2.94Å; N791-M794 PolarHBondContact O-N 3.18Å; N791-M795 WeakPolarHBondContact O-CB 3.41Å; N791-M795 VanDerWaalsContact O-CG 3.22Å; N791-M795 WeakPolarHBondContact O-CG 3.41Å; N791-M795 PolarHBondContact O-N 2.93Å |
| 792 | S | 54.3 | Low | 54.2 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -29.7 | 172.7 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | I788 E790 | I788-S792 PolarHBondContact O-N 2.95Å; I788-S792 PolarHBondContact O-OG 3.31Å; I788-S792 VanDerWaalsContact O-OG 3.08Å; E790-S792 VanDerWaalsContact C-N 3.32Å; E790-S792 PolarHBondContact O-N 3.12Å |
| 793 | R | 53.3 | Low | 51.7 | Low | 174 Ų | 174 | 102 Ų | 102 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -80.9 | -36.2 | 172.1 | -72.2 | 176.1 | 177.1 | -178 | -0.9 | 112.8 | R789 E790 N791 S796 T797 | R789-R793 WeakPolarHBondContact O-CG 3.43Å; R789-R793 PolarHBondContact O-N 3.43Å; E790-R793 CarbonylContact O-C 3.52Å; E790-R793 WeakPolarHBondContact O-CA 3.44Å; E790-R793 WeakPolarHBondContact O-CB 3.33Å; E790-R793 PolarHBondContact O-N 3.44Å; N791-R793 PolarHBondContact O-N 2.94Å; R793-S796 PolarHBondContact O-N 3.39Å; R793-S796 PolarHBondContact O-OG 2.92Å; R793-T797 PolarHBondContact O-N 2.68Å |
| 794 | M | 39.2 | Very low | 49.2 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.3 | -38.3 | -178.4 | -73.2 | -173.9 | 82.3 | 0 | 0 | 111.6 | E790 N791 S796 T797 S798 | E790-M794 WeakPolarHBondContact O-CG 3.1Å; E790-M794 PolarHBondContact O-N 3.1Å; N791-M794 PolarHBondContact O-N 3.18Å; M794-S796 PolarHBondContact O-N 3.26Å; M794-T797 WeakPolarHBondContact CA-OG1 3.43Å; M794-T797 CarbonylContact O-C 3.6Å; M794-T797 WeakPolarHBondContact O-CA 3.42Å; M794-T797 PolarHBondContact O-N 2.77Å; M794-T797 PolarHBondContact O-OG1 3.03Å; M794-S798 PolarHBondContact O-N 3.09Å; M794-S798 PolarHBondContact O-OG 3.35Å |
| 795 | M | 34.3 | Very low | 46.9 | Very low | 106 Ų | 106 | 109.4 Ų | 109.4 | 52% | 0.522 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -27 | 173.8 | -67.8 | -97.8 | 88.3 | 0 | 0 | 112.1 | N791 T797 | N791-M795 WeakPolarHBondContact O-CB 3.41Å; N791-M795 VanDerWaalsContact O-CG 3.22Å; N791-M795 WeakPolarHBondContact O-CG 3.41Å; N791-M795 PolarHBondContact O-N 2.93Å; M795-T797 PolarHBondContact O-N 2.89Å |
| 796 | S | 39.7 | Very low | 44.8 | Very low | 57 Ų | 57 | 117.6 Ų | 117.6 | 40% | 0.399 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -9 | 170.7 | 77.5 | 0 | 0 | 0 | 0 | 113.6 | R793 M794 D820 | R793-S796 PolarHBondContact O-N 3.39Å; R793-S796 PolarHBondContact O-OG 2.92Å; M794-S796 PolarHBondContact O-N 3.26Å; S796-D820 WeakPolarHBondContact CB-OD2 3.42Å; S796-D820 PolarHBondContact OG-OD2 3.38Å |
| 797 | T | 34.8 | Very low | 42.7 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -21.4 | 178 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | R793 M794 M795 | R793-T797 PolarHBondContact O-N 2.68Å; M794-T797 WeakPolarHBondContact CA-OG1 3.43Å; M794-T797 CarbonylContact O-C 3.6Å; M794-T797 WeakPolarHBondContact O-CA 3.42Å; M794-T797 PolarHBondContact O-N 2.77Å; M794-T797 PolarHBondContact O-OG1 3.03Å; M795-T797 PolarHBondContact O-N 2.89Å |
| 798 | S | 31.9 | Very low | 40.7 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -96.7 | 1.3 | -173.2 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | M794 E800 | M794-S798 PolarHBondContact O-N 3.09Å; M794-S798 PolarHBondContact O-OG 3.35Å; S798-E800 PolarHBondContact O-N 2.85Å |
| 799 | E | 30.6 | Very low | 39.3 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 17 | 172.9 | -72.5 | -168.6 | 166.5 | 0 | 0 | 113.7 | ||
| 800 | E | 35.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -13.3 | 176.8 | -77.9 | -163.1 | 153.2 | 0 | 0 | 115.6 | S798 | S798-E800 PolarHBondContact O-N 2.85Š|
| 801 | D | 33.2 | Very low | 36 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -134.4 | 10.2 | -168.7 | -91.6 | -25.6 | 0 | 0 | 0 | 119.4 | ||
| 802 | D | 27.4 | Very low | 34.6 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -126.9 | 136.2 | 169.8 | -96.1 | -34.6 | 0 | 0 | 0 | 112.8 | R804 | D802-R804 PolarHBondContact O-N 2.92Š|
| 803 | E | 31.2 | Very low | 33.6 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | trans | -52 | 92.7 | -167.2 | -64.8 | -179.2 | 147.4 | 0 | 0 | 113.8 | S805 | E803-S805 PolarHBondContact O-N 3.45Š| ||
| 804 | R | 29.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 73% | 0.725 | 73% | 0.729 | S | S | * | * | trans | -1.9 | 98.8 | 153.4 | -64.3 | 176.1 | -177.8 | 169.2 | 1.5 | 114.2 | D802 Y806 | D802-R804 PolarHBondContact O-N 2.92Å; R804-Y806 HydrophobicContact CB-CD2 4.29Å; R804-Y806 HydrophobicContact CB-CE2 3.81Å; R804-Y806 WeakPolarHBondContact O-CD2 3.38Å; R804-Y806 VanDerWaalsContact O-CE2 3.24Å; R804-Y806 WeakPolarHBondContact O-CE2 3.26Å; R804-Y806 PolarHBondContact O-N 3.32Å; R804-Y806 VanDerWaalsContact O-N 3.11Å | ||
| 805 | S | 25.9 | Very low | 32 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 100.9 | 157.9 | 30.1 | 0 | 0 | 0 | 0 | 109 | E803 | E803-S805 PolarHBondContact O-N 3.45Š| ||
| 806 | Y | 28.9 | Very low | 31.9 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -71.2 | 124.2 | 177.3 | -67.8 | -93.3 | 0 | 0 | 0 | 110.7 | R804 D808 | R804-Y806 HydrophobicContact CB-CD2 4.29Å; R804-Y806 HydrophobicContact CB-CE2 3.81Å; R804-Y806 WeakPolarHBondContact O-CD2 3.38Å; R804-Y806 VanDerWaalsContact O-CE2 3.24Å; R804-Y806 WeakPolarHBondContact O-CE2 3.26Å; R804-Y806 PolarHBondContact O-N 3.32Å; R804-Y806 VanDerWaalsContact O-N 3.11Å; Y806-D808 PolarHBondContact O-N 2.83Å | ||
| 807 | L | 30.4 | Very low | 31.3 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -80.8 | 98 | 156.8 | -87.5 | 160.7 | 0 | 0 | 0 | 107.7 | F809 | L807-F809 HydrophobicContact CB-CE2 4.07Å; L807-F809 PolarHBondContact O-N 3.41Å; L807-F809 VanDerWaalsContact O-N 3.08Å | ||
| 808 | D | 31.8 | Very low | 31.1 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 91.7 | 175 | -173.1 | 13.2 | 0 | 0 | 0 | 109.7 | Y806 G810 | Y806-D808 PolarHBondContact O-N 2.83Å; D808-G810 VanDerWaalsContact C-N 3.29Å; D808-G810 PolarHBondContact O-N 3.22Å | ||
| 809 | F | 35.3 | Very low | 31 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 75% | 0.746 | 78% | 0.784 | S | S | * | * | trans | -75.1 | 91.9 | 164.3 | -70.2 | -79.2 | 0 | 0 | 0 | 107.6 | L807 G811 | L807-F809 HydrophobicContact CB-CE2 4.07Å; L807-F809 PolarHBondContact O-N 3.41Å; L807-F809 VanDerWaalsContact O-N 3.08Å; F809-G811 PolarHBondContact O-N 3.49Å | ||
| 810 | G | 33.3 | Very low | 31 | Very low | 73 Ų | 73 | 143.9 Ų | 143.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.4 | 113.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D808 | D808-G810 VanDerWaalsContact C-N 3.29Å; D808-G810 PolarHBondContact O-N 3.22Å |
| 811 | G | 34.1 | Very low | 30.9 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.1 | -15.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | F809 | F809-G811 PolarHBondContact O-N 3.49Š|
| 812 | N | 32.7 | Very low | 30.8 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -136.2 | 114.7 | -177.4 | -78.4 | -31.3 | 0 | 0 | 0 | 113.2 | A814 | N812-A814 PolarHBondContact O-N 3.42Š| ||
| 813 | N | 32 | Very low | 31 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 97% | 0.968 | 75% | 0.749 | S | S | * | * | trans | -61.9 | 61.5 | -178.8 | -77.6 | -31.6 | 0 | 0 | 0 | 114.7 | ||||
| 814 | A | 29.4 | Very low | 30.9 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | trans | -104.8 | 109.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | N812 | N812-A814 PolarHBondContact O-N 3.42Š| ||
| 815 | R | 30.5 | Very low | 30.7 | Very low | 245 Ų | 245 | 132.8 Ų | 132.8 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -89 | 108.4 | 172.7 | -71.6 | -178.6 | 176.2 | 179.9 | -1.8 | 108.6 | ||||
| 816 | T | 31.2 | Very low | 30.8 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 60% | 0.595 | 75% | 0.748 | S | S | * | * | trans | -91.3 | 134.8 | -176.4 | 53.5 | 0 | 0 | 0 | 0 | 111 | E1238 | T816-E1238 WeakPolarHBondContact CA-OE1 3.48Å; T816-E1238 WeakPolarHBondContact CB-OE1 3.48Å; T816-E1238 WeakPolarHBondContact CG2-OE1 3.33Å | ||
| 817 | H | 28.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -109.6 | 123 | 176.9 | -86.9 | -80.5 | 0 | 0 | 0 | 109.6 | ||||
| 818 | T | 30.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -96.6 | 137.9 | 176.8 | 32.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 819 | V | 29.4 | Very low | 30 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 56% | 0.564 | 76% | 0.757 | S | S | * | * | trans | -118.6 | 123.6 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | V1240 | V819-V1240 HydrophobicContact CB-CG2 4.41Å; V819-V1240 HydrophobicContact CG1-CG2 4.15Å; V819-V1240 HydrophobicContact CG2-CG2 4.28Å | ||
| 820 | D | 30.3 | Very low | 29.6 | Very low | 72 Ų | 72 | 130 Ų | 130 | 39% | 0.385 | 76% | 0.759 | S | S | . | * | trans | -85.9 | 122.4 | 173.8 | -176.9 | -4.7 | 0 | 0 | 0 | 110.8 | S796 T822 | S796-D820 WeakPolarHBondContact CB-OD2 3.42Å; S796-D820 PolarHBondContact OG-OD2 3.38Å; D820-T822 PolarHBondContact O-N 2.86Å; D820-T822 PolarHBondContact OD1-N 3.41Å; D820-T822 PolarHBondContact OD1-OG1 3.22Å; D820-T822 PolarHBondContact OD2-OG1 2.85Å | ||
| 821 | L | 34.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 15.8 | -176.4 | -71.1 | 172.2 | 0 | 0 | 0 | 114.2 | ||
| 822 | T | 30.8 | Very low | 28.7 | Very low | 98 Ų | 98 | 138 Ų | 138 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 3.6 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 116.3 | D820 G824 | D820-T822 PolarHBondContact O-N 2.86Å; D820-T822 PolarHBondContact OD1-N 3.41Å; D820-T822 PolarHBondContact OD1-OG1 3.22Å; D820-T822 PolarHBondContact OD2-OG1 2.85Å; T822-G824 PolarHBondContact O-N 3.16Å; T822-G824 VanDerWaalsContact O-N 3.08Å |
| 823 | V | 30.9 | Very low | 28.3 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -85.4 | 88 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 112 | M825 | V823-M825 PolarHBondContact O-N 3.37Š| ||
| 824 | G | 28.9 | Very low | 27.9 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -71.3 | 115.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T822 G826 | T822-G824 PolarHBondContact O-N 3.16Å; T822-G824 VanDerWaalsContact O-N 3.08Å; G824-G826 PolarHBondContact O-N 3.14Å | ||
| 825 | M | 26.6 | Very low | 27.8 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 95% | 0.951 | 77% | 0.772 | S | S | * | * | trans | 21.6 | 89.2 | 157.6 | -71.4 | -172.8 | 174.6 | 0 | 0 | 117.4 | V823 R827 | V823-M825 PolarHBondContact O-N 3.37Å; M825-R827 PolarHBondContact O-N 2.96Å | ||
| 826 | G | 27 | Very low | 27.4 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 111.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G824 Q828 | G824-G826 PolarHBondContact O-N 3.14Å; G826-Q828 PolarHBondContact O-N 2.82Å | ||
| 827 | R | 26.1 | Very low | 27 | Very low | 241 Ų | 241 | 134.6 Ų | 134.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -66.2 | 123.2 | 162.7 | -96.3 | 177 | 168.7 | 173.6 | -3.4 | 109 | M825 V829 | M825-R827 PolarHBondContact O-N 2.96Å; R827-V829 PolarHBondContact O-N 3.24Å | ||
| 828 | Q | 23.2 | Very low | 26.9 | Very low | 195 Ų | 195 | 138.4 Ų | 138.4 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -52.1 | 115 | 168.8 | -72.9 | 175.5 | -22.7 | 0 | 0 | 110.8 | G826 | G826-Q828 PolarHBondContact O-N 2.82Š| ||
| 829 | V | 26.7 | Very low | 26.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -133.6 | 107.3 | 156.1 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | R827 F831 | R827-V829 PolarHBondContact O-N 3.24Å; V829-F831 HydrophobicContact CG1-CD2 3.74Å; V829-F831 HydrophobicContact CG1-CE2 3.81Å; V829-F831 PolarHBondContact O-N 2.94Å | ||
| 830 | A | 24.9 | Very low | 26.7 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 119 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 831 | F | 26.5 | Very low | 26.5 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -137.9 | 112.2 | 154.5 | -85.9 | -74.7 | 0 | 0 | 0 | 109.1 | V829 | V829-F831 HydrophobicContact CG1-CD2 3.74Å; V829-F831 HydrophobicContact CG1-CE2 3.81Å; V829-F831 PolarHBondContact O-N 2.94Å | ||
| 832 | S | 23 | Very low | 26.3 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -67.7 | 145.5 | 164 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 833 | G | 25.3 | Very low | 26.3 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 154.1 | 103.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 834 | D | 23.3 | Very low | 26.3 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 83% | 0.83 | S | S | * | * | trans | -49.8 | 140 | 170.9 | -69.6 | -49.5 | 0 | 0 | 0 | 113.2 | ||||
| 835 | D | 26.4 | Very low | 26.7 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -172.4 | 81.3 | 137.6 | -93.6 | -24.1 | 0 | 0 | 0 | 109.3 | ||||
| 836 | L | 23.2 | Very low | 27.4 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -86.4 | 103.1 | 168.4 | -83.9 | 160.7 | 0 | 0 | 0 | 109.1 | ||||
| 837 | S | 22.7 | Very low | 28 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -155.8 | 136.9 | 154.4 | 78 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 838 | R | 25.4 | Very low | 28.7 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | 86.4 | 92.1 | 168.8 | -64.9 | -174.4 | 159.2 | 159.4 | -4.6 | 117.6 | ||||
| 839 | A | 26.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | trans | -55.6 | 121.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 840 | D | 28.6 | Very low | 30.4 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -108.2 | 126.2 | 162.2 | -102 | -22 | 0 | 0 | 0 | 108.3 | ||||
| 841 | G | 26.9 | Very low | 31.1 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -63.4 | 149.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V843 | G841-V843 PolarHBondContact O-N 2.83Š| ||
| 842 | G | 29.4 | Very low | 31.7 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | -49.9 | 119.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L844 | G842-L844 PolarHBondContact O-N 2.71Š| ||
| 843 | V | 30.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -83 | 111.1 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | G841 | G841-V843 PolarHBondContact O-N 2.83Š| ||
| 844 | L | 31 | Very low | 32.4 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -62.9 | 145 | 171.6 | -93.3 | 140.6 | 0 | 0 | 0 | 111.8 | G842 | G842-L844 PolarHBondContact O-N 2.71Š| ||
| 845 | N | 37.9 | Very low | 32.7 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 51% | 0.513 | 73% | 0.725 | S | S | . | * | trans | -63 | 129.7 | -174.2 | -172.5 | -3.4 | 0 | 0 | 0 | 112.9 | E847 W848 | N845-E847 VanDerWaalsContact C-N 3.27Å; N845-E847 PolarHBondContact O-N 3.26Å; N845-E847 PolarHBondContact OD1-N 3.23Å; N845-W848 PolarHBondContact O-N 3.43Å | ||
| 846 | V | 41 | Very low | 32.8 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -61.2 | -28.5 | -174.1 | 176.8 | 0 | 0 | 0 | 0 | 113.4 | W848 L849 Q850 | V846-W848 VanDerWaalsContact C-N 3.26Å; V846-W848 PolarHBondContact O-N 3.05Å; V846-L849 PolarHBondContact O-N 3.01Å; V846-Q850 PolarHBondContact O-N 3.39Å |
| 847 | E | 39.2 | Very low | 33.1 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 50% | 0.5 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -64.5 | -30.4 | 179 | -68.8 | -177.3 | 159.4 | 0 | 0 | 112.3 | N845 Q850 M851 | N845-E847 VanDerWaalsContact C-N 3.27Å; N845-E847 PolarHBondContact O-N 3.26Å; N845-E847 PolarHBondContact OD1-N 3.23Å; E847-Q850 PolarHBondContact O-N 3.27Å; E847-M851 WeakPolarHBondContact O-CB 3.06Å; E847-M851 PolarHBondContact O-N 3.14Å; E847-M851 VanDerWaalsContact O-N 3.07Å |
| 848 | W | 39.6 | Very low | 33.2 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -76.8 | -37.7 | 179 | -78.9 | 58.3 | 0 | 0 | 0 | 112.6 | N845 V846 Q850 M851 F852 | N845-W848 PolarHBondContact O-N 3.43Å; V846-W848 VanDerWaalsContact C-N 3.26Å; V846-W848 PolarHBondContact O-N 3.05Å; W848-Q850 PolarHBondContact O-N 2.88Å; W848-M851 PolarHBondContact O-N 3.11Å; W848-F852 PolarHBondContact O-N 3.41Å |
| 849 | L | 40.8 | Very low | 33.2 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 54% | 0.539 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -62.9 | -30.9 | 172.3 | -99.9 | 150.1 | 0 | 0 | 0 | 111.9 | V846 G853 | V846-L849 PolarHBondContact O-N 3.01Å; L849-G853 PolarHBondContact O-N 3.33Å |
| 850 | Q | 45.9 | Very low | 33.2 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.3 | -34.1 | 175.1 | -74.5 | -175.7 | -14.7 | 0 | 0 | 113.3 | V846 E847 W848 | V846-Q850 PolarHBondContact O-N 3.39Å; E847-Q850 PolarHBondContact O-N 3.27Å; W848-Q850 PolarHBondContact O-N 2.88Å |
| 851 | M | 39.9 | Very low | 32.9 | Very low | 145 Ų | 145 | 126 Ų | 126 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -82.1 | -28.9 | -177 | -159.9 | 175.3 | 156.8 | 0 | 0 | 113.1 | E847 W848 | E847-M851 WeakPolarHBondContact O-CB 3.06Å; E847-M851 PolarHBondContact O-N 3.14Å; E847-M851 VanDerWaalsContact O-N 3.07Å; W848-M851 PolarHBondContact O-N 3.11Å |
| 852 | F | 39.5 | Very low | 32.8 | Very low | 144 Ų | 144 | 127 Ų | 127 | 63% | 0.632 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 26.3 | -175.8 | -61.2 | -71 | 0 | 0 | 0 | 115 | W848 | W848-F852 PolarHBondContact O-N 3.41Š|
| 853 | G | 31.9 | Very low | 32.5 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.5 | 106.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | L849 D855 | L849-G853 PolarHBondContact O-N 3.33Å; G853-D855 PolarHBondContact O-N 2.9Å |
| 854 | S | 30.2 | Very low | 32.2 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 52% | 0.524 | 71% | 0.708 | S | S | . | * | trans | -70.2 | 121.4 | 159.8 | 55.6 | 0 | 0 | 0 | 0 | 110 | S856 | S854-S856 PolarHBondContact O-N 3.09Š| ||
| 855 | D | 30.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | trans | -64.5 | 77.3 | 168 | -92.9 | -28.6 | 0 | 0 | 0 | 110.4 | G853 S857 | G853-D855 PolarHBondContact O-N 2.9Å; D855-S857 PolarHBondContact O-N 3.16Å | ||
| 856 | S | 27.3 | Very low | 31.1 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | trans | -95.4 | 74.5 | 168.4 | 62.9 | 0 | 0 | 0 | 0 | 108.6 | S854 Q858 | S854-S856 PolarHBondContact O-N 3.09Å; S856-Q858 PolarHBondContact O-N 2.93Å | ||
| 857 | S | 29.2 | Very low | 30.2 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -81.2 | 111.9 | 163.4 | 47 | 0 | 0 | 0 | 0 | 108.5 | D855 | D855-S857 PolarHBondContact O-N 3.16Š| ||
| 858 | Q | 25.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 81% | 0.808 | 73% | 0.734 | S | S | * | * | trans | -64.9 | 146.9 | -179.1 | -66.9 | 175.8 | -12.7 | 0 | 0 | 112.3 | S856 | S856-Q858 PolarHBondContact O-N 2.93Š| ||
| 859 | N | 25.6 | Very low | 28.7 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | 41.7 | 105.6 | 144.2 | -67.1 | -12.9 | 0 | 0 | 0 | 118 | ||||
| 860 | N | 25.7 | Very low | 27.9 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | trans | -151.4 | 101.3 | 135.3 | -93.9 | -30.8 | 0 | 0 | 0 | 109.7 | A862 | N860-A862 PolarHBondContact O-N 2.82Š| ||
| 861 | E | 23 | Very low | 26.7 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | trans | -61.6 | 114.2 | 157.2 | -71.6 | -178 | 148.5 | 0 | 0 | 108.8 | ||||
| 862 | A | 24.7 | Very low | 26 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -166.3 | 112.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | N860 Y864 | N860-A862 PolarHBondContact O-N 2.82Å; A862-Y864 PolarHBondContact O-N 2.79Å | ||
| 863 | A | 24.3 | Very low | 25.2 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -51 | 126.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 864 | Y | 23.5 | Very low | 24.9 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -132.8 | 92.4 | 154.7 | -115.1 | -88 | 0 | 0 | 0 | 109.2 | A862 M866 | A862-Y864 PolarHBondContact O-N 2.79Å; Y864-M866 HydrophobicContact CD1-CG 4.43Å | ||
| 865 | V | 23.6 | Very low | 24.7 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 115.7 | 161.8 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 866 | M | 22.7 | Very low | 24.2 | Very low | 152 Ų | 152 | 146.4 Ų | 146.4 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -148.8 | 87.5 | 156.2 | -77.5 | -64.4 | -86.5 | 0 | 0 | 106.3 | Y864 | Y864-M866 HydrophobicContact CD1-CG 4.43Š| ||
| 867 | S | 22.4 | Very low | 24.1 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | 53.8 | 100.3 | 97.1 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 868 | S | 22.4 | Very low | 24 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -6.3 | 124.3 | 140.8 | 55.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 869 | K | 24.4 | Very low | 23.9 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -165.5 | 117.1 | 144 | -108.2 | 171.6 | -172.5 | -172.7 | 0 | 111.1 | ||||
| 870 | N | 23.3 | Very low | 23.7 | Very low | 121 Ų | 121 | 147 Ų | 147 | 65% | 0.647 | 80% | 0.798 | S | S | * | * | trans | 58.7 | 108.2 | 137.9 | -67.2 | 39.2 | 0 | 0 | 0 | 118.4 | ||||
| 871 | E | 21.8 | Very low | 23.6 | Very low | 167 Ų | 167 | 150 Ų | 150 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | 82.7 | 108.4 | 95.3 | -76.6 | 171.3 | 161.6 | 0 | 0 | 110.7 | |||||
| 872 | E | 25.1 | Very low | 23.8 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | -167 | 117.2 | 120.3 | -102.6 | 173 | -169.1 | 0 | 0 | 109.4 | |||||
| 873 | E | 22.1 | Very low | 23.7 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -60.7 | 128.6 | 171.6 | -64.1 | 169.4 | 128.3 | 0 | 0 | 110.6 | ||||
| 874 | V | 25.8 | Very low | 23.6 | Very low | 147 Ų | 147 | 159.7 Ų | 159.7 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -134.6 | 79.5 | 144.7 | -172.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 875 | V | 25.2 | Very low | 23.8 | Very low | 111 Ų | 111 | 156.4 Ų | 156.4 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | trans | 1.5 | 118.6 | 153.2 | -178.7 | 0 | 0 | 0 | 0 | 116.9 | A877 | V875-A877 PolarHBondContact O-N 3.46Š| ||
| 876 | E | 21.2 | Very low | 23.7 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -50.4 | 118.4 | 151.5 | -70.4 | 176.8 | 140.9 | 0 | 0 | 110.6 | ||||
| 877 | A | 25.2 | Very low | 23.9 | Very low | 83 Ų | 83 | 153.6 Ų | 153.6 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | -130.5 | 86.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V875 | V875-A877 PolarHBondContact O-N 3.46Š| ||
| 878 | T | 26.4 | Very low | 23.9 | Very low | 133 Ų | 133 | 154.8 Ų | 154.8 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | 18.6 | 116.1 | 140.5 | 49 | 0 | 0 | 0 | 0 | 117.7 | E880 | T878-E880 PolarHBondContact O-N 3.02Å; T878-E880 VanDerWaalsContact O-N 3.09Å | ||
| 879 | V | 22.9 | Very low | 24.1 | Very low | 149 Ų | 149 | 158.8 Ų | 158.8 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | trans | -39.1 | 103.9 | 157.4 | 178 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 880 | E | 22.2 | Very low | 23.9 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 81% | 0.808 | 83% | 0.833 | S | S | * | * | trans | -166.3 | 133.1 | 151.6 | -113.3 | -176.1 | -164.6 | 0 | 0 | 111.7 | T878 | T878-E880 PolarHBondContact O-N 3.02Å; T878-E880 VanDerWaalsContact O-N 3.09Å | ||
| 881 | R | 23 | Very low | 24 | Very low | 231 Ų | 231 | 159 Ų | 159 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | trans | 82.9 | 98.6 | 167.2 | -65.6 | 178.6 | 168.3 | 176.8 | -1.6 | 119.8 | ||||
| 882 | T | 26.7 | Very low | 24 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 93% | 0.933 | 84% | 0.842 | S | S | * | * | -136.2 | 94.6 | 128.7 | 34.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 883 | K | 22.7 | Very low | 23.9 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | trans | -89.5 | 145.8 | 158.7 | -89.1 | -177.8 | 172.6 | 177.1 | 0 | 108.4 | ||||
| 884 | R | 22.5 | Very low | 24 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | trans | 92.4 | 110.3 | 164 | -57.1 | 177.8 | -179.8 | 179.1 | -0.2 | 116 | ||||
| 885 | V | 28.9 | Very low | 23.9 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 92% | 0.915 | 83% | 0.832 | S | S | * | * | -153.8 | 143.8 | 103.6 | 173.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 886 | S | 21.8 | Very low | 23.9 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | trans | -122.5 | 145.3 | -166.2 | 49.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 887 | S | 25.6 | Very low | 24.1 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | 133.7 | 140 | 154.5 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 888 | S | 22.6 | Very low | 24.1 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 84% | 0.836 | S | S | * | * | cis | 179.6 | 111.5 | -10.6 | 44.2 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 889 | M | 25.8 | Very low | 24.1 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 96% | 0.961 | 84% | 0.841 | S | S | * | * | trans | -158.1 | 112.2 | 160 | -117 | 166.9 | 108.2 | 0 | 0 | 108.8 | ||||
| 890 | E | 21.8 | Very low | 24.3 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -81.1 | 121.2 | -167.4 | -65 | 174.3 | 152.8 | 0 | 0 | 110.9 | ||||
| 891 | T | 24 | Very low | 24.4 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | -130.7 | 130.3 | 156.2 | 43 | 0 | 0 | 0 | 0 | 108.2 | S893 | T891-S893 PolarHBondContact O-N 3.3Å; T891-S893 VanDerWaalsContact O-N 3.13Å | ||
| 892 | P | 22.7 | Very low | 24.5 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | trans | -82.8 | 100.5 | -161.8 | 31.9 | -32.9 | 0 | 0 | 0 | 110.7 | ||||
| 893 | S | 23.7 | Very low | 24.3 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -97.5 | 108.7 | 164.6 | 48 | 0 | 0 | 0 | 0 | 109.3 | T891 S895 | T891-S893 PolarHBondContact O-N 3.3Å; T891-S893 VanDerWaalsContact O-N 3.13Å; S893-S895 VanDerWaalsContact C-N 3.35Å; S893-S895 PolarHBondContact O-N 2.8Å | ||
| 894 | L | 23.6 | Very low | 24.3 | Very low | 186 Ų | 186 | 136.2 Ų | 136.2 | 97% | 0.974 | 83% | 0.825 | S | S | * | * | trans | -64.7 | 90.5 | 170.8 | -77.5 | 151.4 | 0 | 0 | 0 | 109 | ||||
| 895 | S | 23.8 | Very low | 24.4 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -105.2 | 123.5 | 169.3 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | S893 S897 | S893-S895 VanDerWaalsContact C-N 3.35Å; S893-S895 PolarHBondContact O-N 2.8Å; S895-S897 PolarHBondContact O-N 3.37Å | ||
| 896 | A | 25 | Very low | 24.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -70.8 | 119 | -180 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 897 | S | 25.7 | Very low | 24.5 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -161.3 | 151.8 | 153.9 | 56 | 0 | 0 | 0 | 0 | 110.7 | S895 | S895-S897 PolarHBondContact O-N 3.37Š| ||
| 898 | N | 24.6 | Very low | 24.4 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 78% | 0.781 | 82% | 0.821 | S | S | * | * | trans | 90 | 92.8 | 179.9 | -52.1 | -29.5 | 0 | 0 | 0 | 115.7 | ||||
| 899 | L | 27.3 | Very low | 24.5 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | -152.5 | 112 | 120 | -99.6 | 140 | 0 | 0 | 0 | 109.6 | |||||
| 900 | S | 25.6 | Very low | 24.4 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | trans | -55.5 | 138.3 | 178.1 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | A902 | S900-A902 PolarHBondContact O-N 2.94Š| ||
| 901 | T | 24.7 | Very low | 24.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -52.3 | 112.5 | 163.7 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 902 | A | 24.6 | Very low | 24.5 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -135.4 | 112.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S900 | S900-A902 PolarHBondContact O-N 2.94Š| ||
| 903 | S | 22.8 | Very low | 24.6 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -50.3 | 127 | 173.5 | 50.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 904 | S | 23.8 | Very low | 24.5 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -170.3 | 113.1 | 134 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 905 | S | 24.3 | Very low | 24.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 81% | 0.814 | S | S | * | * | trans | -12.6 | 124.7 | 155 | 54.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 906 | G | 25.1 | Very low | 24.7 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 162.6 | 86.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | A908 | G906-A908 PolarHBondContact O-N 3.12Š| ||
| 907 | A | 27.1 | Very low | 24.7 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 96% | 0.959 | 82% | 0.818 | S | S | * | * | trans | -51.3 | 105 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 908 | A | 23.2 | Very low | 24.6 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | -140.3 | 111 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G906 S910 | G906-A908 PolarHBondContact O-N 3.12Å; A908-S910 PolarHBondContact O-N 2.77Å | ||
| 909 | K | 25.6 | Very low | 24.7 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 95% | 0.952 | 83% | 0.832 | S | S | * | * | trans | -56.3 | 115.9 | 180 | -64.7 | 169 | 173.2 | -179.9 | 0 | 110.2 | ||||
| 910 | S | 23.1 | Very low | 24.6 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | trans | -121.8 | 96.4 | 164.9 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | A908 E912 | A908-S910 PolarHBondContact O-N 2.77Å; S910-E912 PolarHBondContact O-N 3.11Å | ||
| 911 | A | 25.5 | Very low | 24.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | 32.7 | 73 | 138.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 912 | E | 23.9 | Very low | 24.5 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -81 | 116.7 | 145.2 | -81.9 | -178.9 | 159.5 | 0 | 0 | 107.7 | S910 L914 | S910-E912 PolarHBondContact O-N 3.11Å; E912-L914 PolarHBondContact O-N 3.24Å | ||
| 913 | L | 24.3 | Very low | 24.6 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | 8.2 | 95.5 | 152.8 | -72.2 | 142.7 | 0 | 0 | 0 | 113.7 | P915 | L913-P915 WeakPolarHBondContact O-CD 3.3Š| ||
| 914 | L | 21.7 | Very low | 25 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -45.8 | 105.8 | 168.4 | -76.3 | 158 | 0 | 0 | 0 | 108.9 | E912 R916 | E912-L914 PolarHBondContact O-N 3.24Å; L914-R916 PolarHBondContact O-N 3.21Å | ||
| 915 | P | 25.7 | Very low | 25.3 | Very low | 107 Ų | 107 | 153 Ų | 153 | 70% | 0.695 | 82% | 0.819 | S | S | * | * | trans | -64.9 | 126 | 161.4 | 2.6 | 14.4 | 0 | 0 | 0 | 104.1 | L913 Q917 | L913-P915 WeakPolarHBondContact O-CD 3.3Å; P915-Q917 PolarHBondContact O-N 3.36Å | ||
| 916 | R | 24.4 | Very low | 25.3 | Very low | 235 Ų | 235 | 152.4 Ų | 152.4 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -43.3 | 105.7 | 176.8 | -75.4 | 177.2 | 167.3 | 175.2 | -4.2 | 109 | L914 F918 | L914-R916 PolarHBondContact O-N 3.21Å; R916-F918 PolarHBondContact O-N 2.9Å | ||
| 917 | Q | 25 | Very low | 25.4 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -67.5 | 79.7 | 167.1 | -78.5 | -176.7 | -31.4 | 0 | 0 | 107.9 | P915 | P915-Q917 PolarHBondContact O-N 3.36Š|
| 918 | F | 24.6 | Very low | 25.3 | Very low | 206 Ų | 206 | 155.4 Ų | 155.4 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 42.9 | 153.2 | -88.2 | -76 | 0 | 0 | 0 | 107.9 | R916 | R916-F918 PolarHBondContact O-N 2.9Š| ||
| 919 | E | 25.8 | Very low | 25.4 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -94.3 | 77.6 | 157.1 | -78.2 | -173.7 | 169.5 | 0 | 0 | 107.7 | ||||
| 920 | H | 25.3 | Very low | 25.4 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -135.4 | 105.9 | 157.4 | -92.4 | -57.2 | 0 | 0 | 0 | 108.2 | ||
| 921 | Y | 25.7 | Very low | 25.5 | Very low | 195 Ų | 195 | 152 Ų | 152 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 57.7 | 82.9 | 158 | -62.6 | -83 | 0 | 0 | 0 | 117.4 | ||||
| 922 | F | 24.3 | Very low | 25.7 | Very low | 203 Ų | 203 | 152 Ų | 152 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | trans | -136.1 | 80.4 | 136.9 | -84.7 | -79.5 | 0 | 0 | 0 | 107.8 | P924 | F922-P924 WeakPolarHBondContact O-CD 3.25Š| ||
| 923 | E | 25.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 149 Ų | 149 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | -60.3 | 122.1 | 154.2 | -81.3 | -175.2 | 161.3 | 0 | 0 | 106.8 | N925 | E923-N925 PolarHBondContact O-N 2.85Š| ||
| 924 | P | 30.7 | Very low | 26.3 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 70.8 | 176.5 | 32.2 | -31.8 | 0 | 0 | 0 | 107.7 | F922 | F922-P924 WeakPolarHBondContact O-CD 3.25Š|
| 925 | N | 30.3 | Very low | 26.8 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.2 | 0.1 | 169.4 | -93.3 | -25 | 0 | 0 | 0 | 115.6 | E923 V927 | E923-N925 PolarHBondContact O-N 2.85Å; N925-V927 PolarHBondContact O-N 2.76Å |
| 926 | T | 25 | Very low | 27 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 82.6 | 163.4 | 41.9 | 0 | 0 | 0 | 0 | 109.4 | L928 | T926-L928 PolarHBondContact O-N 3.25Å; T926-L928 VanDerWaalsContact O-N 3.1Å | ||
| 927 | V | 27.8 | Very low | 27.4 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 58% | 0.576 | 75% | 0.746 | S | S | * | * | trans | -41.9 | 119.3 | 144.6 | 173.8 | 0 | 0 | 0 | 0 | 105.4 | N925 V929 | N925-V927 PolarHBondContact O-N 2.76Å; V927-V929 VanDerWaalsContact C-N 3.27Å; V927-V929 WeakPolarHBondContact O-CG2 3.29Å; V927-V929 PolarHBondContact O-N 3.02Å | ||
| 928 | L | 23.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | trans | -53.8 | 97.1 | 174.4 | -108.3 | 145.8 | 0 | 0 | 0 | 107.7 | T926 V930 | T926-L928 PolarHBondContact O-N 3.25Å; T926-L928 VanDerWaalsContact O-N 3.1Å; L928-V930 PolarHBondContact O-N 2.94Å | ||
| 929 | V | 26.1 | Very low | 27.9 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 85.7 | 170.1 | -178.7 | 0 | 0 | 0 | 0 | 104.4 | V927 D931 | V927-V929 VanDerWaalsContact C-N 3.27Å; V927-V929 WeakPolarHBondContact O-CG2 3.29Å; V927-V929 PolarHBondContact O-N 3.02Å; V929-D931 HydrophobicContact CG1-CB 4.41Å; V929-D931 PolarHBondContact O-N 3.45Å | ||
| 930 | V | 26.1 | Very low | 28.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | -70.5 | 93.8 | 161.1 | -173 | 0 | 0 | 0 | 0 | 104.8 | L928 T932 | L928-V930 PolarHBondContact O-N 2.94Å; V930-T932 HydrophobicContact CG1-CG2 3.8Å; V930-T932 PolarHBondContact O-N 3.32Å | ||
| 931 | D | 24.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | trans | -68.8 | 87.4 | 174.4 | -159 | 11.1 | 0 | 0 | 0 | 107.6 | V929 T933 | V929-D931 HydrophobicContact CG1-CB 4.41Å; V929-D931 PolarHBondContact O-N 3.45Å; D931-T933 PolarHBondContact O-N 2.91Å | ||
| 932 | T | 30.1 | Very low | 29.8 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | trans | -79.3 | 54.2 | 177.7 | 47.4 | 0 | 0 | 0 | 0 | 110.4 | V930 C934 | V930-T932 HydrophobicContact CG1-CG2 3.8Å; V930-T932 PolarHBondContact O-N 3.32Å; T932-C934 PolarHBondContact O-N 3.35Å | ||
| 933 | T | 31.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.724 | 70% | 0.698 | S | S | * | * | trans | -76.4 | -3.7 | 167.5 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | D931 | D931-T933 PolarHBondContact O-N 2.91Š| ||
| 934 | C | 28.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -99.8 | 96.5 | 161.4 | -77.8 | 0 | 0 | 0 | 0 | 110.6 | T932 S936 | T932-C934 PolarHBondContact O-N 3.35Å; C934-S936 VanDerWaalsContact C-N 3.25Å; C934-S936 PolarHBondContact O-N 3Å |
| 935 | A | 31.1 | Very low | 34.1 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 90% | 0.901 | 69% | 0.686 | S | S | * | * | trans | -63.4 | 83.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 936 | S | 29.9 | Very low | 35.4 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -142.9 | 100.7 | 159 | 70.9 | 0 | 0 | 0 | 0 | 109.5 | C934 A938 | C934-S936 VanDerWaalsContact C-N 3.25Å; C934-S936 PolarHBondContact O-N 3Å; S936-A938 PolarHBondContact O-N 3.5Å |
| 937 | E | 33 | Very low | 37.3 | Very low | 148 Ų | 148 | 112.1 Ų | 112.1 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | 29.5 | 74 | 161.3 | -63.2 | -171.9 | -167.3 | 0 | 0 | 117.1 | R939 | E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 3.37Å; E937-R939 IonicContact OE2-CZ 3.16Å; E937-R939 IonicContact OE2-NE 3.99Å; E937-R939 PolarHBondContact OE2-NE 3.28Å; E937-R939 VanDerWaalsContact OE2-NE 3.09Å; E937-R939 IonicContact OE2-NH2 2.68Å; E937-R939 PolarHBondContact OE2-NH2 3.29Å | ||
| 938 | A | 28.2 | Very low | 39.4 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | trans | -69.3 | 95.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S936 P940 | S936-A938 PolarHBondContact O-N 3.5Å; A938-P940 WeakPolarHBondContact O-CD 3.45Å | ||
| 939 | R | 32.5 | Very low | 41.4 | Very low | 193 Ų | 193 | 111.7 Ų | 111.7 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | trans | -82.2 | 112.9 | 172 | -66.8 | -173.9 | -174.3 | -166.6 | -0.3 | 108.6 | E937 L941 | E937-R939 VanDerWaalsContact C-N 3.34Å; E937-R939 PolarHBondContact O-N 3.37Å; E937-R939 IonicContact OE2-CZ 3.16Å; E937-R939 IonicContact OE2-NE 3.99Å; E937-R939 PolarHBondContact OE2-NE 3.28Å; E937-R939 VanDerWaalsContact OE2-NE 3.09Å; E937-R939 IonicContact OE2-NH2 2.68Å; E937-R939 PolarHBondContact OE2-NH2 3.29Å; R939-L941 PolarHBondContact O-N 3.39Å | ||
| 940 | P | 35.2 | Very low | 43.3 | Very low | 83 Ų | 83 | 109.8 Ų | 109.8 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | trans | -63.3 | 123 | 173.4 | 9.6 | -4.7 | 0 | 0 | 0 | 109.3 | A938 Y942 | A938-P940 WeakPolarHBondContact O-CD 3.45Å; P940-Y942 HydrophobicContact CB-CD2 4.36Å; P940-Y942 HydrophobicContact CB-CE2 3.79Å; P940-Y942 HydrophobicContact CG-CE2 3.76Å; P940-Y942 PolarHBondContact O-N 2.95Å | ||
| 941 | L | 36.3 | Very low | 45.6 | Very low | 181 Ų | 181 | 107.3 Ų | 107.3 | 95% | 0.948 | 62% | 0.621 | S | S | * | * | trans | -75.1 | 87 | 177 | -75.7 | 161.1 | 0 | 0 | 0 | 109.1 | R939 | R939-L941 PolarHBondContact O-N 3.39Š| ||
| 942 | Y | 45.6 | Very low | 47.8 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | trans | -76.6 | 149.4 | 166.3 | -61.7 | -70.1 | 0 | 0 | 0 | 110.2 | P940 K946 | P940-Y942 HydrophobicContact CB-CD2 4.36Å; P940-Y942 HydrophobicContact CB-CE2 3.79Å; P940-Y942 HydrophobicContact CG-CE2 3.76Å; P940-Y942 PolarHBondContact O-N 2.95Å; Y942-K946 HydrophobicContact CD1-CD 4.02Å | ||
| 943 | S | 50.4 | Low | 49.6 | Very low | 63 Ų | 63 | 104.7 Ų | 104.7 | 44% | 0.441 | 60% | 0.6 | S | S | . | * | trans | -60.9 | 142.5 | 167.1 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | C945 K946 A947 | S943-C945 PolarHBondContact O-N 2.86Å; S943-C945 VanDerWaalsContact O-N 3.16Å; S943-C945 PolarHBondContact OG-SG 2.88Å; S943-C945 VanDerWaalsContact OG-SG 3.37Å; S943-K946 PolarHBondContact O-N 3.21Å; S943-K946 WeakPolarHBondContact OG-CB 3.22Å; S943-A947 PolarHBondContact O-N 2.7Å; S943-A947 VanDerWaalsContact O-N 3.14Å | ||
| 944 | P | 63.2 | Low | 51.4 | Low | 101 Ų | 101 | 105.2 Ų | 105.2 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -53.3 | -38.8 | -178.9 | -26.9 | 33.4 | 0 | 0 | 0 | 113 | K946 A947 E948 | P944-K946 VanDerWaalsContact C-N 3.34Å; P944-K946 PolarHBondContact O-N 3.09Å; P944-A947 PolarHBondContact O-N 2.93Å; P944-E948 WeakPolarHBondContact O-CB 3.3Å; P944-E948 WeakPolarHBondContact O-CG 3.45Å; P944-E948 PolarHBondContact O-N 3.44Å |
| 945 | C | 56.2 | Low | 53.6 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.5 | -32.7 | 178.1 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | S943 L949 | S943-C945 PolarHBondContact O-N 2.86Å; S943-C945 VanDerWaalsContact O-N 3.16Å; S943-C945 PolarHBondContact OG-SG 2.88Å; S943-C945 VanDerWaalsContact OG-SG 3.37Å; C945-L949 VanDerWaalsContact O-CB 3.3Å; C945-L949 WeakPolarHBondContact O-CB 3.39Å; C945-L949 PolarHBondContact O-N 3.04Å |
| 946 | K | 57.9 | Low | 55.1 | Low | 101 Ų | 101 | 105.1 Ų | 105.1 | 44% | 0.439 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.1 | -43.3 | 175.3 | 179 | 168.8 | 177.9 | 172.5 | 0 | 110.7 | Y942 S943 P944 E948 L949 D950 | Y942-K946 HydrophobicContact CD1-CD 4.02Å; S943-K946 PolarHBondContact O-N 3.21Å; S943-K946 WeakPolarHBondContact OG-CB 3.22Å; P944-K946 VanDerWaalsContact C-N 3.34Å; P944-K946 PolarHBondContact O-N 3.09Å; K946-E948 VanDerWaalsContact C-N 3.31Å; K946-E948 PolarHBondContact O-N 3.11Å; K946-L949 PolarHBondContact O-N 2.93Å; K946-D950 WeakPolarHBondContact O-CB 3.32Å; K946-D950 VanDerWaalsContact O-CG 3.25Å; K946-D950 PolarHBondContact O-N 2.64Å |
| 947 | A | 65.5 | Low | 56.7 | Low | 47 Ų | 47 | 105.4 Ų | 105.4 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S943 P944 A951 | S943-A947 PolarHBondContact O-N 2.7Å; S943-A947 VanDerWaalsContact O-N 3.14Å; P944-A947 PolarHBondContact O-N 2.93Å; A947-A951 VanDerWaalsContact O-CB 3.22Å; A947-A951 WeakPolarHBondContact O-CB 3.45Å; A947-A951 PolarHBondContact O-N 3.24Å |
| 948 | E | 71.6 | Confident | 58.4 | Low | 139 Ų | 139 | 102.8 Ų | 102.8 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 173.6 | -77.5 | 178.5 | 178.8 | 0 | 0 | 112.4 | P944 K946 F952 | P944-E948 WeakPolarHBondContact O-CB 3.3Å; P944-E948 WeakPolarHBondContact O-CG 3.45Å; P944-E948 PolarHBondContact O-N 3.44Å; K946-E948 VanDerWaalsContact C-N 3.31Å; K946-E948 PolarHBondContact O-N 3.11Å; E948-F952 WeakPolarHBondContact O-CB 3.47Å; E948-F952 PolarHBondContact O-N 3.46Å |
| 949 | L | 65.7 | Low | 60.3 | Low | 102 Ų | 102 | 101.4 Ų | 101.4 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.5 | 179.9 | 64.2 | 0 | 0 | 0 | 111.3 | C945 K946 A951 F952 V953 | C945-L949 VanDerWaalsContact O-CB 3.3Å; C945-L949 WeakPolarHBondContact O-CB 3.39Å; C945-L949 PolarHBondContact O-N 3.04Å; K946-L949 PolarHBondContact O-N 2.93Å; L949-A951 VanDerWaalsContact C-N 3.35Å; L949-A951 PolarHBondContact O-N 3.21Å; L949-F952 PolarHBondContact O-N 3.26Å; L949-V953 HydrophobicContact CD1-CG2 4.21Å; L949-V953 HydrophobicContact CG-CG2 4.42Å; L949-V953 WeakPolarHBondContact O-CB 3.39Å; L949-V953 VanDerWaalsContact O-CG2 3.25Å; L949-V953 WeakPolarHBondContact O-CG2 3.25Å; L949-V953 PolarHBondContact O-N 3.49Å |
| 950 | D | 66.8 | Low | 61.5 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.3 | -70.3 | -24.3 | 0 | 0 | 0 | 110 | K946 F952 V953 E954 | K946-D950 WeakPolarHBondContact O-CB 3.32Å; K946-D950 VanDerWaalsContact O-CG 3.25Å; K946-D950 PolarHBondContact O-N 2.64Å; D950-F952 PolarHBondContact O-N 3.45Å; D950-V953 PolarHBondContact O-N 3.29Å; D950-E954 VanDerWaalsContact O-CB 3.3Å; D950-E954 WeakPolarHBondContact O-CB 3.4Å; D950-E954 PolarHBondContact O-N 3.36Å |
| 951 | A | 72.7 | Confident | 62.6 | Low | 55 Ų | 55 | 98 Ų | 98 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A947 L949 W955 | A947-A951 VanDerWaalsContact O-CB 3.22Å; A947-A951 WeakPolarHBondContact O-CB 3.45Å; A947-A951 PolarHBondContact O-N 3.24Å; L949-A951 VanDerWaalsContact C-N 3.35Å; L949-A951 PolarHBondContact O-N 3.21Å; A951-W955 VanDerWaalsContact O-CB 3.29Å; A951-W955 WeakPolarHBondContact O-CB 3.49Å; A951-W955 PolarHBondContact O-N 3.42Å |
| 952 | F | 71.4 | Confident | 63.6 | Low | 111 Ų | 111 | 95.2 Ų | 95.2 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 176.5 | 178.9 | -101.1 | 0 | 0 | 0 | 112 | E948 L949 D950 E954 W955 Q956 | E948-F952 WeakPolarHBondContact O-CB 3.47Å; E948-F952 PolarHBondContact O-N 3.46Å; L949-F952 PolarHBondContact O-N 3.26Å; D950-F952 PolarHBondContact O-N 3.45Å; F952-E954 VanDerWaalsContact C-N 3.34Å; F952-W955 HydrophobicContact CD2-CE3 4.06Å; F952-W955 HydrophobicContact CD2-CZ3 4.47Å; F952-W955 AromaticContact CE2-CE3 3.9Å; F952-W955 HydrophobicContact CE2-CE3 3.9Å; F952-W955 AromaticContact CE2-CZ3 3.87Å; F952-W955 HydrophobicContact CE2-CZ3 3.87Å; F952-W955 PolarHBondContact O-N 2.71Å; F952-Q956 HydrophobicContact CD1-CG 4.37Å; F952-Q956 HydrophobicContact CE1-CG 3.86Å; F952-Q956 HydrophobicContact CE2-CG 4.35Å; F952-Q956 HydrophobicContact CZ-CG 3.86Å; F952-Q956 WeakPolarHBondContact O-CB 3.35Å; F952-Q956 PolarHBondContact O-N 3.45Å |
| 953 | V | 67.4 | Low | 63.9 | Low | 53 Ų | 53 | 92.1 Ų | 92.1 | 32% | 0.321 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 110.2 | L949 D950 Q956 R957 | L949-V953 HydrophobicContact CD1-CG2 4.21Å; L949-V953 HydrophobicContact CG-CG2 4.42Å; L949-V953 WeakPolarHBondContact O-CB 3.39Å; L949-V953 VanDerWaalsContact O-CG2 3.25Å; L949-V953 WeakPolarHBondContact O-CG2 3.25Å; L949-V953 PolarHBondContact O-N 3.49Å; D950-V953 PolarHBondContact O-N 3.29Å; V953-Q956 PolarHBondContact O-N 2.62Å; V953-R957 WeakPolarHBondContact O-CB 3.49Å; V953-R957 VanDerWaalsContact O-CG 3.25Å; V953-R957 WeakPolarHBondContact O-CG 3.25Å; V953-R957 PolarHBondContact O-N 2.9Å |
| 954 | E | 69.3 | Low | 64 | Low | 128 Ų | 128 | 90.9 Ų | 90.9 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.3 | -43.9 | 176.1 | -157.1 | 163.2 | -141.6 | 0 | 0 | 111.4 | D950 F952 Q956 R957 D958 | D950-E954 VanDerWaalsContact O-CB 3.3Å; D950-E954 WeakPolarHBondContact O-CB 3.4Å; D950-E954 PolarHBondContact O-N 3.36Å; F952-E954 VanDerWaalsContact C-N 3.34Å; E954-Q956 PolarHBondContact O-N 3.16Å; E954-R957 WeakPolarHBondContact O-CB 3.43Å; E954-R957 PolarHBondContact O-N 3.2Å; E954-D958 PolarHBondContact O-N 2.96Å |
| 955 | W | 75.2 | Confident | 63.3 | Low | 139 Ų | 139 | 89.3 Ų | 89.3 | 53% | 0.527 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.3 | 177.1 | 76.6 | 0 | 0 | 0 | 113.1 | A951 F952 R957 D958 L959 | A951-W955 VanDerWaalsContact O-CB 3.29Å; A951-W955 WeakPolarHBondContact O-CB 3.49Å; A951-W955 PolarHBondContact O-N 3.42Å; F952-W955 HydrophobicContact CD2-CE3 4.06Å; F952-W955 HydrophobicContact CD2-CZ3 4.47Å; F952-W955 AromaticContact CE2-CE3 3.9Å; F952-W955 HydrophobicContact CE2-CE3 3.9Å; F952-W955 AromaticContact CE2-CZ3 3.87Å; F952-W955 HydrophobicContact CE2-CZ3 3.87Å; F952-W955 PolarHBondContact O-N 2.71Å; W955-R957 VanDerWaalsContact C-N 3.33Å; W955-D958 PolarHBondContact O-N 3.06Å; W955-L959 HydrophobicContact CZ2-CD1 4.23Å; W955-L959 WeakPolarHBondContact O-CB 3.25Å; W955-L959 PolarHBondContact O-N 3.45Å |
| 956 | Q | 63.6 | Low | 62.9 | Low | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.4 | -86.4 | -113.7 | -38 | 0 | 0 | 111.3 | F952 V953 E954 L959 W960 | F952-Q956 HydrophobicContact CD1-CG 4.37Å; F952-Q956 HydrophobicContact CE1-CG 3.86Å; F952-Q956 HydrophobicContact CE2-CG 4.35Å; F952-Q956 HydrophobicContact CZ-CG 3.86Å; F952-Q956 WeakPolarHBondContact O-CB 3.35Å; F952-Q956 PolarHBondContact O-N 3.45Å; V953-Q956 PolarHBondContact O-N 2.62Å; E954-Q956 PolarHBondContact O-N 3.16Å; Q956-L959 PolarHBondContact O-N 3.28Å; Q956-W960 WeakPolarHBondContact O-CB 3.27Å; Q956-W960 PolarHBondContact O-N 3.26Å |
| 957 | R | 63.9 | Low | 62.4 | Low | 103 Ų | 103 | 97.5 Ų | 97.5 | 39% | 0.389 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.3 | -78.1 | 170.6 | 168.6 | 171 | -6.8 | 111.5 | V953 E954 W955 L959 W960 A961 D1212 E1214 | V953-R957 WeakPolarHBondContact O-CB 3.49Å; V953-R957 VanDerWaalsContact O-CG 3.25Å; V953-R957 WeakPolarHBondContact O-CG 3.25Å; V953-R957 PolarHBondContact O-N 2.9Å; E954-R957 WeakPolarHBondContact O-CB 3.43Å; E954-R957 PolarHBondContact O-N 3.2Å; W955-R957 VanDerWaalsContact C-N 3.33Å; R957-L959 PolarHBondContact O-N 3.24Å; R957-W960 CarbonylContact O-C 3.44Å; R957-W960 PolarHBondContact O-N 2.96Å; R957-A961 VanDerWaalsContact O-CB 3.23Å; R957-A961 WeakPolarHBondContact O-CB 3.04Å; R957-A961 PolarHBondContact O-N 3.47Å; R957-D1212 IonicContact NH2-OD2 2.63Å; R957-E1214 IonicContact CZ-OE2 3.81Å; R957-E1214 IonicContact NE-OE2 2.63Å; R957-E1214 IonicContact NH2-OE2 3.84Å; R957-E1214 PolarHBondContact NH2-OE2 3.01Å; R957-E1214 VanDerWaalsContact NH2-OE2 3.14Å |
| 958 | D | 68.4 | Low | 61.3 | Low | 93 Ų | 93 | 98.7 Ų | 98.7 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.7 | -83.3 | -11.2 | 0 | 0 | 0 | 111.9 | E954 W955 W960 A961 Q962 | E954-D958 PolarHBondContact O-N 2.96Å; W955-D958 PolarHBondContact O-N 3.06Å; D958-W960 VanDerWaalsContact C-N 3.34Å; D958-W960 PolarHBondContact O-N 3.23Å; D958-A961 PolarHBondContact O-N 3.34Å; D958-Q962 VanDerWaalsContact O-CB 3.29Å; D958-Q962 WeakPolarHBondContact O-CB 3.35Å; D958-Q962 VanDerWaalsContact O-CG 3.25Å; D958-Q962 WeakPolarHBondContact O-CG 3.43Å; D958-Q962 PolarHBondContact O-N 3.35Å |
| 959 | L | 67.4 | Low | 59.4 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 34% | 0.335 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.9 | -163.8 | 88.9 | 0 | 0 | 0 | 111.1 | W955 Q956 R957 N963 | W955-L959 HydrophobicContact CZ2-CD1 4.23Å; W955-L959 WeakPolarHBondContact O-CB 3.25Å; W955-L959 PolarHBondContact O-N 3.45Å; Q956-L959 PolarHBondContact O-N 3.28Å; R957-L959 PolarHBondContact O-N 3.24Å; L959-N963 WeakPolarHBondContact O-CB 3.39Å; L959-N963 VanDerWaalsContact O-CG 3.23Å; L959-N963 PolarHBondContact O-N 3.46Å; L959-N963 PolarHBondContact O-ND2 2.72Å |
| 960 | W | 58.6 | Low | 58 | Low | 172 Ų | 172 | 97.1 Ų | 97.1 | 65% | 0.652 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.9 | -39.3 | 176.5 | -86 | 106.9 | 0 | 0 | 0 | 112.6 | Q956 R957 D958 N963 A964 | Q956-W960 WeakPolarHBondContact O-CB 3.27Å; Q956-W960 PolarHBondContact O-N 3.26Å; R957-W960 CarbonylContact O-C 3.44Å; R957-W960 PolarHBondContact O-N 2.96Å; D958-W960 VanDerWaalsContact C-N 3.34Å; D958-W960 PolarHBondContact O-N 3.23Å; W960-N963 PolarHBondContact O-N 2.9Å; W960-A964 WeakPolarHBondContact O-CB 3.49Å; W960-A964 PolarHBondContact O-N 3.39Å |
| 961 | A | 56.9 | Low | 56.2 | Low | 33 Ų | 33 | 100.2 Ų | 100.2 | 27% | 0.273 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R957 D958 A964 S965 | R957-A961 VanDerWaalsContact O-CB 3.23Å; R957-A961 WeakPolarHBondContact O-CB 3.04Å; R957-A961 PolarHBondContact O-N 3.47Å; D958-A961 PolarHBondContact O-N 3.34Å; A961-A964 PolarHBondContact O-N 3.47Å; A961-S965 VanDerWaalsContact O-CB 3.23Å; A961-S965 WeakPolarHBondContact O-CB 3.23Å; A961-S965 PolarHBondContact O-N 3.18Å; A961-S965 PolarHBondContact O-OG 3.29Å |
| 962 | Q | 58 | Low | 54.6 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 171.7 | -76.5 | 179.1 | 19.4 | 0 | 0 | 111.1 | D958 A964 S965 R966 | D958-Q962 VanDerWaalsContact O-CB 3.29Å; D958-Q962 WeakPolarHBondContact O-CB 3.35Å; D958-Q962 VanDerWaalsContact O-CG 3.25Å; D958-Q962 WeakPolarHBondContact O-CG 3.43Å; D958-Q962 PolarHBondContact O-N 3.35Å; Q962-A964 VanDerWaalsContact C-N 3.33Å; Q962-A964 PolarHBondContact O-N 2.99Å; Q962-S965 WeakPolarHBondContact CA-OG 3.17Å; Q962-S965 PolarHBondContact O-N 2.81Å; Q962-S965 PolarHBondContact O-OG 2.87Å; Q962-R966 VanDerWaalsContact O-CB 3.22Å; Q962-R966 WeakPolarHBondContact O-CB 3.49Å; Q962-R966 PolarHBondContact O-N 2.81Å |
| 963 | N | 52 | Low | 52.8 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.364 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.7 | -76.1 | -28.4 | 0 | 0 | 0 | 112.1 | L959 W960 R966 L967 | L959-N963 WeakPolarHBondContact O-CB 3.39Å; L959-N963 VanDerWaalsContact O-CG 3.23Å; L959-N963 PolarHBondContact O-N 3.46Å; L959-N963 PolarHBondContact O-ND2 2.72Å; W960-N963 PolarHBondContact O-N 2.9Å; N963-R966 PolarHBondContact O-N 2.89Å; N963-L967 WeakPolarHBondContact O-CB 3.5Å; N963-L967 WeakPolarHBondContact O-CD1 3.49Å; N963-L967 WeakPolarHBondContact O-CG 3.31Å; N963-L967 PolarHBondContact O-N 2.79Å |
| 964 | A | 52.2 | Low | 51.6 | Low | 36 Ų | 36 | 109.9 Ų | 109.9 | 30% | 0.298 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -51.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | W960 A961 Q962 R966 L967 L968 | W960-A964 WeakPolarHBondContact O-CB 3.49Å; W960-A964 PolarHBondContact O-N 3.39Å; A961-A964 PolarHBondContact O-N 3.47Å; Q962-A964 VanDerWaalsContact C-N 3.33Å; Q962-A964 PolarHBondContact O-N 2.99Å; A964-R966 VanDerWaalsContact C-N 3.26Å; A964-R966 PolarHBondContact O-N 3.14Å; A964-L967 CarbonylContact O-C 3.53Å; A964-L967 PolarHBondContact O-N 3.2Å; A964-L967 VanDerWaalsContact O-N 3.08Å; A964-L968 HydrophobicContact CB-CD1 3.99Å; A964-L968 WeakPolarHBondContact O-CB 3.25Å; A964-L968 VanDerWaalsContact O-CD1 3.3Å; A964-L968 WeakPolarHBondContact O-CD1 3.3Å; A964-L968 WeakPolarHBondContact O-CG 3.49Å; A964-L968 PolarHBondContact O-N 2.69Å |
| 965 | S | 49.2 | Very low | 50.5 | Low | 68 Ų | 68 | 112.5 Ų | 112.5 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.8 | -37.8 | 177.9 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | A961 Q962 L968 S969 | A961-S965 VanDerWaalsContact O-CB 3.23Å; A961-S965 WeakPolarHBondContact O-CB 3.23Å; A961-S965 PolarHBondContact O-N 3.18Å; A961-S965 PolarHBondContact O-OG 3.29Å; Q962-S965 WeakPolarHBondContact CA-OG 3.17Å; Q962-S965 PolarHBondContact O-N 2.81Å; Q962-S965 PolarHBondContact O-OG 2.87Å; S965-L968 CarbonylContact O-C 3.47Å; S965-L968 PolarHBondContact O-N 2.86Å; S965-S969 PolarHBondContact O-N 2.9Å |
| 966 | R | 47.8 | Very low | 49.7 | Very low | 206 Ų | 206 | 110.7 Ų | 110.7 | 78% | 0.777 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.7 | -28.6 | 179.3 | -157.1 | 175.9 | -175.5 | -178.4 | 1.7 | 112.3 | Q962 N963 A964 | Q962-R966 VanDerWaalsContact O-CB 3.22Å; Q962-R966 WeakPolarHBondContact O-CB 3.49Å; Q962-R966 PolarHBondContact O-N 2.81Å; N963-R966 PolarHBondContact O-N 2.89Å; A964-R966 VanDerWaalsContact C-N 3.26Å; A964-R966 PolarHBondContact O-N 3.14Å |
| 967 | L | 47.5 | Very low | 49.9 | Very low | 153 Ų | 153 | 109.7 Ų | 109.7 | 80% | 0.801 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.7 | -23.1 | 169.1 | -74.6 | 164 | 0 | 0 | 0 | 112.5 | N963 A964 | N963-L967 WeakPolarHBondContact O-CB 3.5Å; N963-L967 WeakPolarHBondContact O-CD1 3.49Å; N963-L967 WeakPolarHBondContact O-CG 3.31Å; N963-L967 PolarHBondContact O-N 2.79Å; A964-L967 CarbonylContact O-C 3.53Å; A964-L967 PolarHBondContact O-N 3.2Å; A964-L967 VanDerWaalsContact O-N 3.08Å |
| 968 | L | 41.2 | Very low | 50.2 | Low | 73 Ų | 73 | 105 Ų | 105 | 38% | 0.382 | 57% | 0.568 | S | S | . | * | trans | -103.1 | 5.6 | -174.3 | -67.2 | 165.4 | 0 | 0 | 0 | 113.3 | A964 S965 T970 V1150 | A964-L968 HydrophobicContact CB-CD1 3.99Å; A964-L968 WeakPolarHBondContact O-CB 3.25Å; A964-L968 VanDerWaalsContact O-CD1 3.3Å; A964-L968 WeakPolarHBondContact O-CD1 3.3Å; A964-L968 WeakPolarHBondContact O-CG 3.49Å; A964-L968 PolarHBondContact O-N 2.69Å; S965-L968 CarbonylContact O-C 3.47Å; S965-L968 PolarHBondContact O-N 2.86Å; L968-T970 PolarHBondContact O-N 3.04Å; L968-T970 PolarHBondContact O-OG1 3.4Å; L968-V1150 HydrophobicContact CD2-CG1 3.71Å; L968-V1150 HydrophobicContact CD2-CG2 4.49Å | ||
| 969 | S | 32.5 | Very low | 50.6 | Low | 95 Ų | 95 | 105.1 Ų | 105.1 | 66% | 0.664 | 57% | 0.573 | S | S | * | * | trans | -73.1 | 52 | 175.9 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | S965 | S965-S969 PolarHBondContact O-N 2.9Š| ||
| 970 | T | 35.2 | Very low | 50.9 | Low | 112 Ų | 112 | 103.6 Ų | 103.6 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | trans | -77.5 | 120.2 | 149.5 | 52.1 | 0 | 0 | 0 | 0 | 106.5 | L968 A972 | L968-T970 PolarHBondContact O-N 3.04Å; L968-T970 PolarHBondContact O-OG1 3.4Å; T970-A972 VanDerWaalsContact C-N 3.25Å; T970-A972 PolarHBondContact O-N 2.9Å | ||
| 971 | T | 30.4 | Very low | 51.7 | Low | 143 Ų | 143 | 99.4 Ų | 99.4 | 88% | 0.877 | 57% | 0.571 | S | S | * | * | trans | -53.9 | 84.5 | 175.5 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 972 | A | 37.9 | Very low | 52.9 | Low | 82 Ų | 82 | 99.9 Ų | 99.9 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | trans | -86.1 | 109.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | T970 D974 | T970-A972 VanDerWaalsContact C-N 3.25Å; T970-A972 PolarHBondContact O-N 2.9Å; A972-D974 PolarHBondContact O-N 3.06Å; A972-D974 VanDerWaalsContact O-N 3.16Å | ||
| 973 | E | 35.2 | Very low | 54 | Low | 189 Ų | 189 | 98.2 Ų | 98.2 | 88% | 0.883 | 56% | 0.557 | S | S | * | * | trans | -50.5 | 122.8 | 171.7 | -69.2 | -178.5 | 157 | 0 | 0 | 108.4 | K975 | E973-K975 PolarHBondContact O-N 2.92Š| ||
| 974 | D | 40.6 | Very low | 55.4 | Low | 150 Ų | 150 | 95.2 Ų | 95.2 | 80% | 0.802 | 54% | 0.541 | S | S | * | . | trans | -49.2 | 111.8 | -177.9 | -73.5 | -44.4 | 0 | 0 | 0 | 109.1 | A972 T976 | A972-D974 PolarHBondContact O-N 3.06Å; A972-D974 VanDerWaalsContact O-N 3.16Å; D974-T976 PolarHBondContact O-N 3.01Å | ||
| 975 | K | 46 | Very low | 56.8 | Low | 184 Ų | 184 | 97 Ų | 97 | 80% | 0.8 | 55% | 0.551 | S | S | * | * | trans | -60.7 | 96.4 | 160.2 | -80.8 | -175.2 | 177.6 | 177.3 | 0 | 105.4 | E973 A977 | E973-K975 PolarHBondContact O-N 2.92Å; K975-A977 PolarHBondContact O-N 2.94Å | ||
| 976 | T | 58.4 | Low | 58.2 | Low | 100 Ų | 100 | 94.8 Ų | 94.8 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | trans | -50.7 | 105.7 | 176.2 | 51 | 0 | 0 | 0 | 0 | 107.5 | D974 W1350 | D974-T976 PolarHBondContact O-N 3.01Å; T976-W1350 WeakPolarHBondContact O-CH2 3.41Å; T976-W1350 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 977 | A | 68 | Low | 59.9 | Low | 57 Ų | 57 | 88.7 Ų | 88.7 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 156.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | K975 T979 | K975-A977 PolarHBondContact O-N 2.94Å; A977-T979 PolarHBondContact O-N 3.16Å |
| 978 | P | 71.6 | Confident | 61.7 | Low | 4 Ų | 4 | 84.1 Ų | 84.1 | 3% | 0.026 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.9 | 173 | 7 | -0.8 | 0 | 0 | 0 | 108.8 | W982 F1253 G1254 L1344 W1350 | P978-W982 HydrophobicContact CB-CB 3.8Å; P978-W982 HydrophobicContact CB-CD2 4.11Å; P978-W982 HydrophobicContact CB-CE3 3.94Å; P978-W982 HydrophobicContact CB-CG 4.06Å; P978-W982 HydrophobicContact CG-CE3 4.1Å; P978-F1253 HydrophobicContact CB-CD2 3.68Å; P978-F1253 HydrophobicContact CB-CE2 4.02Å; P978-F1253 HydrophobicContact CB-CG 4.33Å; P978-F1253 HydrophobicContact CG-CB 3.89Å; P978-F1253 HydrophobicContact CG-CD1 4.45Å; P978-F1253 HydrophobicContact CG-CD2 3.62Å; P978-F1253 HydrophobicContact CG-CE2 4.18Å; P978-F1253 HydrophobicContact CG-CG 3.74Å; P978-F1253 WeakPolarHBondContact O-CD2 3.37Å; P978-G1254 WeakPolarHBondContact O-CA 3.23Å; P978-G1254 PolarHBondContact O-N 3.28Å; P978-L1344 HydrophobicContact CG-CD1 4.13Å; P978-W1350 HydrophobicContact CB-CD2 3.82Å; P978-W1350 HydrophobicContact CB-CE3 4.48Å; P978-W1350 HydrophobicContact CB-CG 3.92Å; P978-W1350 HydrophobicContact CB-CZ2 4.39Å; P978-W1350 VanDerWaalsContact CD-CH2 3.44Å; P978-W1350 VanDerWaalsContact CD-CZ2 3.41Å; P978-W1350 HydrophobicContact CG-CD2 3.51Å; P978-W1350 HydrophobicContact CG-CE3 3.67Å; P978-W1350 HydrophobicContact CG-CG 4.02Å; P978-W1350 HydrophobicContact CG-CH2 4.23Å; P978-W1350 HydrophobicContact CG-CZ2 4.08Å; P978-W1350 HydrophobicContact CG-CZ3 4.02Å |
| 979 | T | 77 | Confident | 63.8 | Low | 97 Ų | 97 | 83.5 Ų | 83.5 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 159.9 | 169.1 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | A977 A981 W982 | A977-T979 PolarHBondContact O-N 3.16Å; T979-A981 PolarHBondContact O-N 2.79Å; T979-W982 PolarHBondContact O-N 3.11Å |
| 980 | A | 72.7 | Confident | 66.4 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 26% | 0.256 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -11.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1262 | A980-V1262 HydrophobicContact CB-CG2 4.14Š|
| 981 | A | 75.6 | Confident | 68.9 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -19.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T979 K983 | T979-A981 PolarHBondContact O-N 2.79Å; A981-K983 PolarHBondContact O-N 3.45Å |
| 982 | W | 82.4 | Confident | 71.8 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | trans | -73.8 | 127.3 | 178.4 | 177.1 | 78.7 | 0 | 0 | 0 | 110.7 | P978 T979 P984 F1253 Y1274 L1344 W1350 | P978-W982 HydrophobicContact CB-CB 3.8Å; P978-W982 HydrophobicContact CB-CD2 4.11Å; P978-W982 HydrophobicContact CB-CE3 3.94Å; P978-W982 HydrophobicContact CB-CG 4.06Å; P978-W982 HydrophobicContact CG-CE3 4.1Å; T979-W982 PolarHBondContact O-N 3.11Å; W982-P984 HydrophobicContact CH2-CB 3.82Å; W982-P984 HydrophobicContact CH2-CG 4.3Å; W982-P984 HydrophobicContact CZ2-CB 4.06Å; W982-P984 HydrophobicContact CZ3-CB 4.47Å; W982-P984 HydrophobicContact CZ3-CG 4.49Å; W982-F1253 HydrophobicContact CE3-CE1 4.18Å; W982-F1253 AromaticContact CE3-CE2 3.7Å; W982-F1253 HydrophobicContact CE3-CE2 3.7Å; W982-F1253 AromaticContact CE3-CZ 3.45Å; W982-F1253 HydrophobicContact CE3-CZ 3.45Å; W982-F1253 VanDerWaalsContact CE3-CZ 3.45Å; W982-F1253 HydrophobicContact CZ3-CE1 4.04Å; W982-F1253 HydrophobicContact CZ3-CE2 4.39Å; W982-F1253 AromaticContact CZ3-CZ 3.73Å; W982-F1253 HydrophobicContact CZ3-CZ 3.73Å; W982-Y1274 PolarHBondContact O-OH 3.24Å; W982-L1344 HydrophobicContact CH2-CD2 3.93Å; W982-L1344 HydrophobicContact CZ3-CD2 3.84Å; W982-W1350 HydrophobicContact CD2-CB 3.87Å; W982-W1350 HydrophobicContact CD2-CG 4.37Å; W982-W1350 HydrophobicContact CG-CB 4.27Å; W982-W1350 HydrophobicContact CH2-CB 4.26Å; W982-W1350 HydrophobicContact CZ2-CB 3.57Å; W982-W1350 WeakPolarHBondContact CZ2-O 3.39Å | ||
| 983 | K | 80.5 | Confident | 74.3 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | trans | -121.8 | 130.7 | 175.2 | -63.8 | -179 | -177.6 | -179.6 | 0 | 109.1 | A981 Y1274 D1282 F1284 | A981-K983 PolarHBondContact O-N 3.45Å; K983-Y1274 HydrophobicContact CG-CE1 4.36Å; K983-Y1274 HydrophobicContact CG-CE2 4.44Å; K983-D1282 IonicContact NZ-OD1 3.53Å; K983-D1282 PolarHBondContact NZ-OD1 3.45Å; K983-D1282 IonicContact NZ-OD2 3.28Å; K983-F1284 HydrophobicContact CB-CE1 4.49Å; K983-F1284 HydrophobicContact CD-CE1 4.5Å | ||
| 984 | P | 82.5 | Confident | 76.9 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.032 | 37% | 0.372 | C | S | . | . | trans | -64.6 | 137.5 | 173.1 | 26.1 | -31.3 | 0 | 0 | 0 | 109.8 | W982 G986 Y1274 F1284 L1286 K1365 | W982-P984 HydrophobicContact CH2-CB 3.82Å; W982-P984 HydrophobicContact CH2-CG 4.3Å; W982-P984 HydrophobicContact CZ2-CB 4.06Å; W982-P984 HydrophobicContact CZ3-CB 4.47Å; W982-P984 HydrophobicContact CZ3-CG 4.49Å; P984-G986 PolarHBondContact O-N 3.04Å; P984-Y1274 HydrophobicContact CG-CD2 3.95Å; P984-Y1274 HydrophobicContact CG-CE2 4.42Å; P984-F1284 HydrophobicContact CG-CZ 4.2Å; P984-L1286 HydrophobicContact CB-CD1 3.91Å; P984-L1286 HydrophobicContact CB-CD2 4.26Å; P984-L1286 HydrophobicContact CG-CD1 3.78Å; P984-L1286 HydrophobicContact CG-CD2 4.06Å; P984-K1365 CarbonylContact C-O 3.41Å | ||
| 985 | S | 79.6 | Confident | 79.4 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 51% | 0.51 | 34% | 0.336 | S | S | . | . | trans | -70.6 | -21.2 | 178.2 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | T987 K1365 | S985-T987 VanDerWaalsContact C-N 3.27Å; S985-T987 WeakPolarHBondContact OG-CB 3.26Å; S985-T987 PolarHBondContact OG-N 3.17Å; S985-T987 PolarHBondContact OG-OG1 2.97Å; S985-K1365 WeakPolarHBondContact CA-O 3.27Å; S985-K1365 WeakPolarHBondContact CB-O 3.39Å; S985-K1365 PolarHBondContact N-O 2.95Å; S985-K1365 PolarHBondContact OG-O 2.85Å | ||
| 986 | G | 78.9 | Confident | 81.4 | Confident | 22 Ų | 22 | 55 Ų | 55 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | trans | 81.6 | 3.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P984 L988 L1286 K1365 | P984-G986 PolarHBondContact O-N 3.04Å; G986-L988 PolarHBondContact O-N 2.9Å; G986-L1286 VanDerWaalsContact CA-CD1 3.43Å; G986-K1365 PolarHBondContact N-O 2.91Å; G986-K1365 VanDerWaalsContact N-O 3.13Å | ||
| 987 | T | 83.4 | Confident | 83 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | trans | -74.3 | 120.6 | 178.3 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | S985 L989 W1364 K1365 | S985-T987 VanDerWaalsContact C-N 3.27Å; S985-T987 WeakPolarHBondContact OG-CB 3.26Å; S985-T987 PolarHBondContact OG-N 3.17Å; S985-T987 PolarHBondContact OG-OG1 2.97Å; T987-L989 PolarHBondContact O-N 3.15Å; T987-W1364 WeakPolarHBondContact O-CA 3.44Å; T987-K1365 PolarHBondContact O-N 2.84Å | ||
| 988 | L | 85.3 | Confident | 84.3 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 116.4 | 173.7 | -175.5 | 68.7 | 0 | 0 | 0 | 110 | G986 D991 K1362 W1364 | G986-L988 PolarHBondContact O-N 2.9Å; L988-D991 HydrophobicContact CD2-CB 4.34Å; L988-K1362 HydrophobicContact CD1-CB 3.68Å; L988-K1362 HydrophobicContact CD1-CD 4.01Å; L988-K1362 HydrophobicContact CD1-CG 3.89Å; L988-W1364 HydrophobicContact CB-CE3 4.25Å; L988-W1364 HydrophobicContact CB-CZ3 4.25Å; L988-W1364 HydrophobicContact CD1-CD2 4.18Å; L988-W1364 HydrophobicContact CD1-CE3 4.03Å; L988-W1364 HydrophobicContact CD1-CH2 4.25Å; L988-W1364 HydrophobicContact CD1-CZ2 4.36Å; L988-W1364 HydrophobicContact CD1-CZ3 4.07Å |
| 989 | L | 85.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -41.1 | 179.6 | -64.6 | -178.1 | 0 | 0 | 0 | 112.7 | T987 L1351 L1363 K1365 | T987-L989 PolarHBondContact O-N 3.15Å; L989-L1351 HydrophobicContact CD1-CD1 4.4Å; L989-L1351 HydrophobicContact CD1-CD2 3.44Å; L989-L1351 VanDerWaalsContact CD1-CD2 3.44Å; L989-L1363 HydrophobicContact CB-CB 4.42Å; L989-L1363 PolarHBondContact N-O 2.9Å; L989-K1365 HydrophobicContact CD1-CB 3.94Å; L989-K1365 HydrophobicContact CD2-CB 4.06Å; L989-K1365 HydrophobicContact CD2-CD 4.46Å; L989-K1365 HydrophobicContact CG-CB 3.95Å |
| 990 | A | 87.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L992 M1028 N1035 K1362 L1363 | A990-L992 HydrophobicContact CB-CD2 4.22Å; A990-M1028 HydrophobicContact CB-CB 4.28Å; A990-N1035 WeakPolarHBondContact CB-ND2 3.23Å; A990-K1362 WeakPolarHBondContact O-CA 3.49Å; A990-L1363 HydrophobicContact CB-CB 4.22Å; A990-L1363 HydrophobicContact CB-CD1 4.49Å; A990-L1363 PolarHBondContact N-O 3.27Å; A990-L1363 PolarHBondContact O-N 2.97Å |
| 991 | D | 87.5 | Confident | 87.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 114.6 | 177.9 | -167.4 | 18.8 | 0 | 0 | 0 | 108.7 | L988 H993 V1360 K1362 | L988-D991 HydrophobicContact CD2-CB 4.34Å; D991-H993 IonicContact OD1-CD2 3.71Å; D991-H993 IonicContact OD1-NE2 3.98Å; D991-H993 PolarHBondContact OD1-NE2 3.41Å; D991-H993 IonicContact OD2-CD2 3.67Å; D991-H993 IonicContact OD2-CE1 3.33Å; D991-H993 IonicContact OD2-NE2 2.71Å; D991-H993 PolarHBondContact OD2-NE2 3.4Å; D991-V1360 WeakPolarHBondContact OD1-CG1 3.22Å; D991-K1362 VanDerWaalsContact OD1-CE 3.26Å; D991-K1362 WeakPolarHBondContact OD1-CE 3.48Å; D991-K1362 WeakPolarHBondContact OD1-CG 3.38Å |
| 992 | L | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.4 | -164.1 | -47 | 175.4 | 0 | 0 | 0 | 110.5 | A990 F1011 W1023 M1028 N1035 V1360 I1361 L1363 | A990-L992 HydrophobicContact CB-CD2 4.22Å; L992-F1011 HydrophobicContact CD1-CZ 3.85Å; L992-W1023 HydrophobicContact CB-CH2 3.98Å; L992-W1023 HydrophobicContact CB-CZ3 4.08Å; L992-W1023 HydrophobicContact CD1-CD2 4.09Å; L992-W1023 HydrophobicContact CD1-CE3 3.8Å; L992-W1023 HydrophobicContact CD1-CH2 4.24Å; L992-W1023 HydrophobicContact CD1-CZ3 3.88Å; L992-W1023 HydrophobicContact CD2-CZ3 4.17Å; L992-W1023 HydrophobicContact CG-CZ3 4.28Å; L992-M1028 HydrophobicContact CD1-CE 3.72Å; L992-M1028 HydrophobicContact CD1-SD 4.16Å; L992-M1028 HydrophobicContact CD2-CE 3.95Å; L992-M1028 HydrophobicContact CD2-SD 4.28Å; L992-N1035 HydrophobicContact CD2-CB 3.53Å; L992-V1360 WeakPolarHBondContact O-CA 3.22Å; L992-I1361 HydrophobicContact CB-CB 4.09Å; L992-I1361 WeakPolarHBondContact CB-O 3.08Å; L992-I1361 HydrophobicContact CD1-CB 4.09Å; L992-I1361 HydrophobicContact CD1-CG2 4.1Å; L992-I1361 HydrophobicContact CG-CB 4.44Å; L992-I1361 WeakPolarHBondContact CG-O 3.36Å; L992-I1361 PolarHBondContact N-O 3.21Å; L992-I1361 PolarHBondContact O-N 3.02Å; L992-L1363 HydrophobicContact CD1-CD1 3.77Å; L992-L1363 HydrophobicContact CG-CD1 4.4Å |
| 993 | H | 89.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 41.2 Ų | 41.2 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | trans | -116.1 | 23.5 | -171.4 | -68.2 | -97.1 | 0 | 0 | 0 | 113.5 | D991 V1360 | D991-H993 IonicContact OD1-CD2 3.71Å; D991-H993 IonicContact OD1-NE2 3.98Å; D991-H993 PolarHBondContact OD1-NE2 3.41Å; D991-H993 IonicContact OD2-CD2 3.67Å; D991-H993 IonicContact OD2-CE1 3.33Å; D991-H993 IonicContact OD2-NE2 2.71Å; D991-H993 PolarHBondContact OD2-NE2 3.4Å; H993-V1360 VanDerWaalsContact CE1-CG2 3.41Å; H993-V1360 WeakPolarHBondContact CE1-CG2 3.22Å; H993-V1360 WeakPolarHBondContact ND1-CG2 3.41Å | ||
| 994 | E | 90.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | trans | -80.2 | -21.4 | -174.7 | -63.4 | -164.2 | 179.7 | 0 | 0 | 114.9 | K1021 W1023 R1036 S1037 | E994-K1021 HydrophobicContact CB-CD 4Å; E994-K1021 WeakPolarHBondContact O-CE 3.29Å; E994-K1021 IonicContact OE2-NZ 3.31Å; E994-K1021 PolarHBondContact OE2-NZ 2.95Å; E994-W1023 HydrophobicContact CB-CH2 3.82Å; E994-W1023 HydrophobicContact CG-CH2 3.79Å; E994-W1023 HydrophobicContact CG-CZ3 4.19Å; E994-R1036 WeakPolarHBondContact OE1-CA 3.35Å; E994-R1036 VanDerWaalsContact OE1-CB 3.27Å; E994-R1036 WeakPolarHBondContact OE1-CB 3.2Å; E994-S1037 PolarHBondContact OE1-N 2.89Å; E994-S1037 VanDerWaalsContact OE2-CB 3.32Å; E994-S1037 WeakPolarHBondContact OE2-CB 3.31Å; E994-S1037 PolarHBondContact OE2-OG 2.94Å | ||
| 995 | H | 92.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | trans | -75.5 | 132.9 | 175.2 | -84.7 | -69.9 | 0 | 0 | 0 | 109.3 | G997 V999 S1013 D1017 C1019 | H995-G997 VanDerWaalsContact C-N 3.3Å; H995-V999 HydrophobicContact CB-CG2 3.94Å; H995-S1013 PolarHBondContact CD2-OG 3.29Å; H995-S1013 PolarHBondContact NE2-OG 3.39Å; H995-D1017 WeakPolarHBondContact CA-OD2 3.43Å; H995-D1017 IonicContact CE1-OD1 3.79Å; H995-D1017 IonicContact CG-OD2 3.16Å; H995-D1017 VanDerWaalsContact ND1-CG 3.34Å; H995-D1017 IonicContact ND1-OD1 3.7Å; H995-D1017 PolarHBondContact ND1-OD1 3.34Å; H995-D1017 IonicContact ND1-OD2 3.14Å; H995-D1017 PolarHBondContact ND1-OD2 3.48Å; H995-C1019 PolarHBondContact CE1-O 3.38Å | ||
| 996 | S | 89.8 | Confident | 89.9 | Confident | 110 Ų | 110 | 39.5 Ų | 39.5 | 77% | 0.769 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -90 | 4.5 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | D1017 | S996-D1017 PolarHBondContact N-OD2 3.49Å; S996-D1017 WeakPolarHBondContact OG-CB 3.39Å |
| 997 | G | 91.2 | Very high | 90 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -160.4 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H995 V999 G1359 | H995-G997 VanDerWaalsContact C-N 3.3Å; G997-V999 PolarHBondContact O-N 3.32Å; G997-G1359 VanDerWaalsContact O-CA 3.23Å; G997-G1359 WeakPolarHBondContact O-CA 3.19Å |
| 998 | A | 94.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | trans | -48.5 | 126.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1015 S1016 R1357 | A998-G1015 CarbonylContact O-C 3.57Å; A998-G1015 WeakPolarHBondContact O-CA 3.44Å; A998-S1016 PolarHBondContact O-N 2.97Å; A998-R1357 WeakPolarHBondContact CA-O 3.47Å; A998-R1357 HydrophobicContact CB-CB 4.38Å; A998-R1357 HydrophobicContact CB-CG 3.94Å; A998-R1357 WeakPolarHBondContact CB-O 3.49Å; A998-R1357 PolarHBondContact N-O 2.78Å | ||
| 999 | V | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.8 | 169.6 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | H995 G997 L1002 V1014 T1340 S1356 I1361 | H995-V999 HydrophobicContact CB-CG2 3.94Å; G997-V999 PolarHBondContact O-N 3.32Å; V999-L1002 HydrophobicContact CG1-CD2 4.24Å; V999-V1014 CarbonylContact C-O 3.54Å; V999-V1014 WeakPolarHBondContact CA-O 3.3Å; V999-V1014 WeakPolarHBondContact CG1-O 3.43Å; V999-T1340 WeakPolarHBondContact O-CB 3.31Å; V999-T1340 VanDerWaalsContact O-CG2 3.23Å; V999-T1340 WeakPolarHBondContact O-CG2 3.28Å; V999-T1340 PolarHBondContact O-OG1 3.5Å; V999-S1356 PolarHBondContact N-O 3.34Å; V999-I1361 HydrophobicContact CG1-CD1 4.26Å; V999-I1361 HydrophobicContact CG1-CG1 4.34Å; V999-I1361 HydrophobicContact CG2-CD1 4.24Å; V999-I1361 HydrophobicContact CG2-CG1 3.95Å |
| 1000 | H | 94.4 | Very high | 90.1 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 27% | 0.269 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -43.6 | -173.9 | -72.1 | -66.8 | 0 | 0 | 0 | 113.2 | V1014 S1016 A1048 | H1000-V1014 PolarHBondContact N-O 3.19Å; H1000-S1016 PolarHBondContact CD2-N 3.17Å; H1000-S1016 PolarHBondContact NE2-OG 3.27Å; H1000-A1048 PolarHBondContact CD2-O 3.35Å |
| 1001 | R | 95 | Very high | 90.4 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.8 | -177.5 | -75.5 | -61.3 | -170.4 | -141.8 | 5 | 112 | V1014 V1051 D1097 R1187 T1340 D1341 | R1001-V1014 HydrophobicContact CB-CG2 4.19Å; R1001-V1014 PolarHBondContact O-N 3.27Å; R1001-V1051 HydrophobicContact CB-CG1 4.04Å; R1001-V1051 WeakPolarHBondContact O-CG1 3.43Å; R1001-D1097 IonicContact CZ-OD1 3.08Å; R1001-D1097 IonicContact NE-OD1 2.88Å; R1001-D1097 IonicContact NH2-OD1 2.71Å; R1001-D1097 PolarHBondContact NH2-OD1 3.29Å; R1001-D1097 VanDerWaalsContact NH2-OD1 3.09Å; R1001-D1097 IonicContact NH2-OD2 3.34Å; R1001-D1097 PolarHBondContact NH2-OD2 2.77Å; R1001-R1187 VanDerWaalsContact NH1-NE 3.19Å; R1001-T1340 PolarHBondContact NH1-O 2.97Å; R1001-D1341 WeakPolarHBondContact CD-OD2 3.26Å |
| 1002 | L | 96.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 146.1 | 173.2 | -63 | 174.4 | 0 | 0 | 0 | 109.8 | V999 F1011 A1012 D1341 K1343 I1353 I1361 | V999-L1002 HydrophobicContact CG1-CD2 4.24Å; L1002-F1011 HydrophobicContact CD2-CD2 4.31Å; L1002-F1011 HydrophobicContact CD2-CE2 4.28Å; L1002-A1012 WeakPolarHBondContact CA-O 3.49Å; L1002-D1341 HydrophobicContact CG-CB 4.36Å; L1002-D1341 PolarHBondContact N-OD2 3.31Å; L1002-K1343 HydrophobicContact CB-CG 3.9Å; L1002-K1343 WeakPolarHBondContact O-CE 3.32Å; L1002-I1353 HydrophobicContact CD1-CB 4.32Å; L1002-I1353 HydrophobicContact CD1-CG2 3.76Å; L1002-I1361 HydrophobicContact CD2-CD1 4.03Å; L1002-I1361 HydrophobicContact CD2-CG2 4.46Å |
| 1003 | A | 94.5 | Very high | 91 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1011 A1012 V1051 I1053 | A1003-F1011 CarbonylContact O-C 3.47Å; A1003-F1011 WeakPolarHBondContact O-CA 3.19Å; A1003-F1011 VanDerWaalsContact O-CB 3.31Å; A1003-F1011 WeakPolarHBondContact O-CB 3.4Å; A1003-A1012 PolarHBondContact N-O 3.14Å; A1003-A1012 PolarHBondContact O-N 3.07Å; A1003-V1051 HydrophobicContact CB-CG1 4.03Å; A1003-V1051 HydrophobicContact CB-CG2 4.37Å; A1003-I1053 HydrophobicContact CB-CB 4.25Å; A1003-I1053 HydrophobicContact CB-CD1 3.93Å; A1003-I1053 HydrophobicContact CB-CG1 3.64Å; A1003-I1053 WeakPolarHBondContact O-CD1 3.38Å |
| 1004 | V | 92.2 | Very high | 91.2 | Very high | 37 Ų | 37 | 27.9 Ų | 27.9 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.9 | -178.1 | 176 | 0 | 0 | 0 | 0 | 108.5 | F1011 K1343 C1345 I1353 | V1004-F1011 HydrophobicContact CG2-CB 4.1Å; V1004-K1343 HydrophobicContact CG2-CB 3.64Å; V1004-K1343 HydrophobicContact CG2-CG 4.32Å; V1004-C1345 HydrophobicContact CG1-CB 3.52Å; V1004-C1345 HydrophobicContact CG2-CB 4.2Å; V1004-I1353 HydrophobicContact CG2-CD1 4.07Å |
| 1005 | H | 89.8 | Confident | 91.4 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | trans | -71.8 | 148 | 175.7 | -175.4 | -89.6 | 0 | 0 | 0 | 110.7 | N1007 G1008 F1010 I1053 D1055 N1056 M1072 | H1005-N1007 PolarHBondContact ND1-N 3.17Å; H1005-N1007 PolarHBondContact ND1-ND2 3.47Å; H1005-N1007 PolarHBondContact ND1-OD1 3Å; H1005-N1007 PolarHBondContact O-N 3.13Å; H1005-N1007 VanDerWaalsContact O-N 3.12Å; H1005-G1008 WeakPolarHBondContact O-CA 3.15Å; H1005-G1008 PolarHBondContact O-N 2.63Å; H1005-F1010 HydrophobicContact CB-CB 4.12Å; H1005-F1010 VanDerWaalsContact CB-O 3.24Å; H1005-F1010 WeakPolarHBondContact CB-O 3.32Å; H1005-F1010 PolarHBondContact N-O 3.05Å; H1005-I1053 HydrophobicContact CB-CD1 4.3Å; H1005-I1053 HydrophobicContact CB-CG2 4.34Å; H1005-D1055 PolarHBondContact CD2-O 3.14Å; H1005-D1055 PolarHBondContact NE2-O 3.33Å; H1005-D1055 VanDerWaalsContact NE2-O 3.16Å; H1005-N1056 PolarHBondContact NE2-OD1 2.93Å; H1005-N1056 VanDerWaalsContact NE2-OD1 3.09Å; H1005-M1072 WeakPolarHBondContact CD2-CE 3.33Å; H1005-M1072 WeakPolarHBondContact NE2-CE 3.2Å | ||
| 1006 | S | 81.7 | Confident | 91.5 | Very high | 86 Ų | 86 | 26.4 Ų | 26.4 | 60% | 0.601 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.2 | -174.3 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | G1008 | S1006-G1008 PolarHBondContact O-N 3.16Š|
| 1007 | N | 80.4 | Confident | 91.6 | Very high | 70 Ų | 70 | 22.3 Ų | 22.3 | 37% | 0.374 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.7 | 174.1 | 74.4 | 1.1 | 0 | 0 | 0 | 114.8 | H1005 R1009 | H1005-N1007 PolarHBondContact ND1-N 3.17Å; H1005-N1007 PolarHBondContact ND1-ND2 3.47Å; H1005-N1007 PolarHBondContact ND1-OD1 3Å; H1005-N1007 PolarHBondContact O-N 3.13Å; H1005-N1007 VanDerWaalsContact O-N 3.12Å; N1007-R1009 PolarHBondContact O-N 3.07Å; N1007-R1009 PolarHBondContact OD1-N 3.12Å |
| 1008 | G | 81.8 | Confident | 91.6 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 64.3 | -2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1005 S1006 I1025 H1346 | H1005-G1008 WeakPolarHBondContact O-CA 3.15Å; H1005-G1008 PolarHBondContact O-N 2.63Å; S1006-G1008 PolarHBondContact O-N 3.16Å; G1008-I1025 WeakPolarHBondContact O-CD1 3.45Å; G1008-H1346 WeakPolarHBondContact CA-O 3.47Å |
| 1009 | R | 85.9 | Confident | 91.5 | Very high | 72 Ų | 72 | 21.3 Ų | 21.3 | 27% | 0.272 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -81.2 | -38.3 | 179 | 177.9 | 177.6 | 171.7 | -160.9 | -9.1 | 112.6 | N1007 D1024 I1025 F1347 | N1007-R1009 PolarHBondContact O-N 3.07Å; N1007-R1009 PolarHBondContact OD1-N 3.12Å; R1009-D1024 WeakPolarHBondContact CG-OD1 3.48Å; R1009-D1024 IonicContact CZ-OD2 3.09Å; R1009-D1024 IonicContact NE-OD1 2.78Å; R1009-D1024 PolarHBondContact NE-OD1 3.08Å; R1009-D1024 VanDerWaalsContact NE-OD1 3.12Å; R1009-D1024 IonicContact NE-OD2 2.82Å; R1009-D1024 PolarHBondContact NE-OD2 3.25Å; R1009-D1024 IonicContact NH2-OD1 3.81Å; R1009-D1024 IonicContact NH2-OD2 2.62Å; R1009-D1024 PolarHBondContact NH2-OD2 2.8Å; R1009-I1025 WeakPolarHBondContact O-CB 3.48Å; R1009-I1025 PolarHBondContact O-N 3.25Å; R1009-F1347 HydrophobicContact CB-CD2 3.96Å; R1009-F1347 HydrophobicContact CB-CE2 3.85Å; R1009-F1347 HydrophobicContact CG-CD2 4.35Å; R1009-F1347 HydrophobicContact CG-CE2 3.86Å |
| 1010 | F | 90.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.1 | -175.9 | -60 | -74.6 | 0 | 0 | 0 | 111.1 | H1005 I1022 W1023 D1024 L1074 P1080 | H1005-F1010 HydrophobicContact CB-CB 4.12Å; H1005-F1010 VanDerWaalsContact CB-O 3.24Å; H1005-F1010 WeakPolarHBondContact CB-O 3.32Å; H1005-F1010 PolarHBondContact N-O 3.05Å; F1010-I1022 HydrophobicContact CB-CG2 4.42Å; F1010-I1022 HydrophobicContact CD1-CG2 4.35Å; F1010-W1023 VanDerWaalsContact CA-O 3.27Å; F1010-W1023 WeakPolarHBondContact CA-O 3.3Å; F1010-D1024 HydrophobicContact CD1-CB 4.06Å; F1010-D1024 HydrophobicContact CE1-CB 3.81Å; F1010-L1074 HydrophobicContact CD2-CD2 4.05Å; F1010-L1074 HydrophobicContact CE2-CD2 3.6Å; F1010-L1074 HydrophobicContact CZ-CD2 4.4Å; F1010-P1080 HydrophobicContact CD1-CG 4.43Å; F1010-P1080 HydrophobicContact CE1-CG 4.16Å |
| 1011 | F | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.6 | 163.7 | 74.1 | -87.2 | 0 | 0 | 0 | 110 | L992 L1002 A1003 V1004 I1022 W1023 I1025 M1028 I1353 I1361 L1363 | L992-F1011 HydrophobicContact CD1-CZ 3.85Å; L1002-F1011 HydrophobicContact CD2-CD2 4.31Å; L1002-F1011 HydrophobicContact CD2-CE2 4.28Å; A1003-F1011 CarbonylContact O-C 3.47Å; A1003-F1011 WeakPolarHBondContact O-CA 3.19Å; A1003-F1011 VanDerWaalsContact O-CB 3.31Å; A1003-F1011 WeakPolarHBondContact O-CB 3.4Å; V1004-F1011 HydrophobicContact CG2-CB 4.1Å; F1011-I1022 WeakPolarHBondContact O-CA 3.42Å; F1011-W1023 HydrophobicContact CD1-CB 3.61Å; F1011-W1023 HydrophobicContact CD1-CG 4.35Å; F1011-W1023 HydrophobicContact CD2-CB 4.19Å; F1011-W1023 AromaticContact CD2-CD1 3.56Å; F1011-W1023 HydrophobicContact CD2-CG 4.11Å; F1011-W1023 HydrophobicContact CE1-CB 3.24Å; F1011-W1023 AromaticContact CE1-CG 3.82Å; F1011-W1023 HydrophobicContact CE1-CG 3.82Å; F1011-W1023 HydrophobicContact CE2-CB 3.86Å; F1011-W1023 AromaticContact CE2-CD1 3.16Å; F1011-W1023 HydrophobicContact CE2-CD2 4.31Å; F1011-W1023 AromaticContact CE2-CG 3.53Å; F1011-W1023 HydrophobicContact CE2-CG 3.53Å; F1011-W1023 AromaticContact CE2-NE1 3.73Å; F1011-W1023 HydrophobicContact CG-CB 4.07Å; F1011-W1023 HydrophobicContact CG-CG 4.49Å; F1011-W1023 HydrophobicContact CZ-CB 3.37Å; F1011-W1023 AromaticContact CZ-CD1 3.55Å; F1011-W1023 HydrophobicContact CZ-CD2 4.04Å; F1011-W1023 AromaticContact CZ-CG 3.36Å; F1011-W1023 HydrophobicContact CZ-CG 3.36Å; F1011-W1023 PolarHBondContact N-O 3.17Å; F1011-W1023 PolarHBondContact O-N 2.69Å; F1011-I1025 HydrophobicContact CD1-CD1 3.94Å; F1011-I1025 HydrophobicContact CD1-CG1 3.83Å; F1011-I1025 HydrophobicContact CE1-CG1 4.1Å; F1011-M1028 HydrophobicContact CE1-CE 4.22Å; F1011-M1028 HydrophobicContact CE1-SD 4.28Å; F1011-M1028 HydrophobicContact CZ-CE 4.42Å; F1011-I1353 HydrophobicContact CB-CD1 4.05Å; F1011-I1353 HydrophobicContact CD1-CD1 3.6Å; F1011-I1353 HydrophobicContact CD2-CD1 4.19Å; F1011-I1353 HydrophobicContact CD2-CG2 4.45Å; F1011-I1353 HydrophobicContact CE1-CD1 4.01Å; F1011-I1353 HydrophobicContact CE2-CG2 4.11Å; F1011-I1353 HydrophobicContact CG-CD1 3.69Å; F1011-I1353 HydrophobicContact CZ-CD1 4.48Å; F1011-I1353 HydrophobicContact CZ-CG2 4.24Å; F1011-I1361 HydrophobicContact CE2-CD1 4.45Å; F1011-I1361 HydrophobicContact CE2-CG2 4.19Å; F1011-I1361 HydrophobicContact CZ-CG2 4.32Å; F1011-L1363 HydrophobicContact CE1-CD1 4.25Å; F1011-L1363 HydrophobicContact CE1-CD2 4.49Å; F1011-L1363 HydrophobicContact CZ-CD1 4.08Å |
| 1012 | A | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1002 A1003 L1020 K1021 V1051 I1053 | L1002-A1012 WeakPolarHBondContact CA-O 3.49Å; A1003-A1012 PolarHBondContact N-O 3.14Å; A1003-A1012 PolarHBondContact O-N 3.07Å; A1012-L1020 HydrophobicContact CB-CD1 4.14Å; A1012-K1021 CarbonylContact C-O 3.49Å; A1012-K1021 VanDerWaalsContact CA-O 3.23Å; A1012-K1021 WeakPolarHBondContact CA-O 3.42Å; A1012-V1051 HydrophobicContact CB-CG2 4.05Å; A1012-I1053 HydrophobicContact CB-CD1 3.94Å |
| 1013 | S | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.8 | 171.8 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | H995 K1021 W1023 | H995-S1013 PolarHBondContact CD2-OG 3.29Å; H995-S1013 PolarHBondContact NE2-OG 3.39Å; S1013-K1021 PolarHBondContact N-O 2.99Å; S1013-K1021 PolarHBondContact O-N 2.89Å; S1013-W1023 PolarHBondContact OG-NE1 3.34Å |
| 1014 | V | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.8 | 173.6 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | V999 H1000 R1001 C1019 L1020 A1048 V1051 C1060 | V999-V1014 CarbonylContact C-O 3.54Å; V999-V1014 WeakPolarHBondContact CA-O 3.3Å; V999-V1014 WeakPolarHBondContact CG1-O 3.43Å; H1000-V1014 PolarHBondContact N-O 3.19Å; R1001-V1014 HydrophobicContact CB-CG2 4.19Å; R1001-V1014 PolarHBondContact O-N 3.27Å; V1014-C1019 WeakPolarHBondContact CA-O 3.42Å; V1014-L1020 HydrophobicContact CG1-CB 4.3Å; V1014-L1020 HydrophobicContact CG1-CD1 3.61Å; V1014-A1048 HydrophobicContact CB-CB 3.7Å; V1014-A1048 HydrophobicContact CG1-CB 4.15Å; V1014-A1048 HydrophobicContact CG2-CB 4.44Å; V1014-V1051 HydrophobicContact CB-CB 4.36Å; V1014-V1051 HydrophobicContact CB-CG1 4.47Å; V1014-V1051 HydrophobicContact CG1-CB 3.7Å; V1014-V1051 HydrophobicContact CG1-CG1 4.18Å; V1014-V1051 HydrophobicContact CG1-CG2 4.2Å; V1014-V1051 HydrophobicContact CG2-CB 3.8Å; V1014-V1051 HydrophobicContact CG2-CG1 3.76Å; V1014-C1060 HydrophobicContact CG1-CB 4.49Å |
| 1015 | G | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A998 D1017 G1018 C1019 A1048 | A998-G1015 CarbonylContact O-C 3.57Å; A998-G1015 WeakPolarHBondContact O-CA 3.44Å; G1015-D1017 PolarHBondContact O-N 2.94Å; G1015-D1017 VanDerWaalsContact O-N 3.09Å; G1015-G1018 PolarHBondContact O-N 3.08Å; G1015-C1019 PolarHBondContact N-O 3.14Å; G1015-A1048 WeakPolarHBondContact O-CB 3.48Å; G1015-A1048 PolarHBondContact O-N 3.04Å; G1015-A1048 VanDerWaalsContact O-N 3.11Å |
| 1016 | S | 94.6 | Very high | 90 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 25% | 0.245 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15.8 | 174.1 | -83.8 | 0 | 0 | 0 | 0 | 113.5 | A998 H1000 G1018 | A998-S1016 PolarHBondContact O-N 2.97Å; H1000-S1016 PolarHBondContact CD2-N 3.17Å; H1000-S1016 PolarHBondContact NE2-OG 3.27Å; S1016-G1018 PolarHBondContact O-N 3.19Å |
| 1017 | D | 91.8 | Very high | 89.9 | Confident | 24 Ų | 24 | 20.3 Ų | 20.3 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.3 | 173.6 | 61.5 | 0.9 | 0 | 0 | 0 | 114 | H995 S996 G1015 C1019 | H995-D1017 WeakPolarHBondContact CA-OD2 3.43Å; H995-D1017 IonicContact CE1-OD1 3.79Å; H995-D1017 IonicContact CG-OD2 3.16Å; H995-D1017 VanDerWaalsContact ND1-CG 3.34Å; H995-D1017 IonicContact ND1-OD1 3.7Å; H995-D1017 PolarHBondContact ND1-OD1 3.34Å; H995-D1017 IonicContact ND1-OD2 3.14Å; H995-D1017 PolarHBondContact ND1-OD2 3.48Å; S996-D1017 PolarHBondContact N-OD2 3.49Å; S996-D1017 WeakPolarHBondContact OG-CB 3.39Å; G1015-D1017 PolarHBondContact O-N 2.94Å; G1015-D1017 VanDerWaalsContact O-N 3.09Å; D1017-C1019 PolarHBondContact O-N 2.89Å; D1017-C1019 WeakPolarHBondContact OD1-CB 3.49Å; D1017-C1019 PolarHBondContact OD1-N 2.95Å; D1017-C1019 VanDerWaalsContact OD1-N 3.14Å |
| 1018 | G | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 70.4 | 12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1015 S1016 E1043 F1044 S1046 | G1015-G1018 PolarHBondContact O-N 3.08Å; S1016-G1018 PolarHBondContact O-N 3.19Å; G1018-E1043 PolarHBondContact O-N 2.8Å; G1018-F1044 PolarHBondContact O-N 2.96Å; G1018-S1046 WeakPolarHBondContact CA-O 3.41Å |
| 1019 | C | 92.3 | Very high | 89.7 | Confident | 15 Ų | 15 | 20.7 Ų | 20.7 | 10% | 0.101 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.1 | -177.6 | -65.1 | 0 | 0 | 0 | 0 | 111.4 | H995 V1014 G1015 D1017 F1041 | H995-C1019 PolarHBondContact CE1-O 3.38Å; V1014-C1019 WeakPolarHBondContact CA-O 3.42Å; G1015-C1019 PolarHBondContact N-O 3.14Å; D1017-C1019 PolarHBondContact O-N 2.89Å; D1017-C1019 WeakPolarHBondContact OD1-CB 3.49Å; D1017-C1019 PolarHBondContact OD1-N 2.95Å; D1017-C1019 VanDerWaalsContact OD1-N 3.14Å; C1019-F1041 CarbonylContact C-O 3.46Å; C1019-F1041 VanDerWaalsContact CA-O 3.28Å; C1019-F1041 WeakPolarHBondContact CA-O 3.33Å |
| 1020 | L | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118 | 161.9 | 173 | 68.4 | 0 | 0 | 0 | 107.8 | A1012 V1014 F1041 E1043 V1051 I1058 F1070 | A1012-L1020 HydrophobicContact CB-CD1 4.14Å; V1014-L1020 HydrophobicContact CG1-CB 4.3Å; V1014-L1020 HydrophobicContact CG1-CD1 3.61Å; L1020-F1041 PolarHBondContact N-O 2.78Å; L1020-F1041 PolarHBondContact O-N 2.81Å; L1020-E1043 HydrophobicContact CB-CG 4.39Å; L1020-V1051 HydrophobicContact CD1-CG2 3.89Å; L1020-I1058 HydrophobicContact CD1-CG2 4.3Å; L1020-I1058 HydrophobicContact CD2-CG2 4.33Å; L1020-F1070 HydrophobicContact CD2-CD2 4.24Å; L1020-F1070 HydrophobicContact CD2-CE2 4.38Å |
| 1021 | K | 92.3 | Very high | 87.1 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.057 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.7 | 176.9 | -66.8 | 179.7 | 179.1 | -77.2 | 0 | 110.1 | E994 A1012 S1013 W1023 C1039 S1040 | E994-K1021 HydrophobicContact CB-CD 4Å; E994-K1021 WeakPolarHBondContact O-CE 3.29Å; E994-K1021 IonicContact OE2-NZ 3.31Å; E994-K1021 PolarHBondContact OE2-NZ 2.95Å; A1012-K1021 CarbonylContact C-O 3.49Å; A1012-K1021 VanDerWaalsContact CA-O 3.23Å; A1012-K1021 WeakPolarHBondContact CA-O 3.42Å; S1013-K1021 PolarHBondContact N-O 2.99Å; S1013-K1021 PolarHBondContact O-N 2.89Å; K1021-W1023 HydrophobicContact CB-CZ2 3.93Å; K1021-W1023 HydrophobicContact CD-CH2 4.16Å; K1021-W1023 HydrophobicContact CD-CZ2 3.63Å; K1021-W1023 HydrophobicContact CG-CZ2 4.44Å; K1021-C1039 WeakPolarHBondContact CA-O 3.48Å; K1021-S1040 PolarHBondContact NZ-OG 2.82Å |
| 1022 | I | 92 | Very high | 85.2 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.8 | 173.7 | -52.7 | -179 | 0 | 0 | 0 | 108.1 | F1010 F1011 S1037 A1038 C1039 F1041 I1058 M1072 P1080 | F1010-I1022 HydrophobicContact CB-CG2 4.42Å; F1010-I1022 HydrophobicContact CD1-CG2 4.35Å; F1011-I1022 WeakPolarHBondContact O-CA 3.42Å; I1022-S1037 CarbonylContact O-C 3.57Å; I1022-S1037 WeakPolarHBondContact O-CB 3.45Å; I1022-A1038 PolarHBondContact O-N 3.32Å; I1022-C1039 VanDerWaalsContact CB-SG 3.59Å; I1022-C1039 PolarHBondContact N-O 3.35Å; I1022-C1039 PolarHBondContact O-N 3.24Å; I1022-F1041 HydrophobicContact CD1-CE2 4.29Å; I1022-I1058 HydrophobicContact CD1-CD1 3.61Å; I1022-I1058 HydrophobicContact CG1-CD1 4.33Å; I1022-M1072 HydrophobicContact CD1-SD 4.39Å; I1022-P1080 HydrophobicContact CG2-CG 4Å |
| 1023 | W | 91.5 | Very high | 83.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.5 | -170 | -56.8 | 95.2 | 0 | 0 | 0 | 110 | L992 E994 F1010 F1011 S1013 K1021 M1028 S1037 I1361 | L992-W1023 HydrophobicContact CB-CH2 3.98Å; L992-W1023 HydrophobicContact CB-CZ3 4.08Å; L992-W1023 HydrophobicContact CD1-CD2 4.09Å; L992-W1023 HydrophobicContact CD1-CE3 3.8Å; L992-W1023 HydrophobicContact CD1-CH2 4.24Å; L992-W1023 HydrophobicContact CD1-CZ3 3.88Å; L992-W1023 HydrophobicContact CD2-CZ3 4.17Å; L992-W1023 HydrophobicContact CG-CZ3 4.28Å; E994-W1023 HydrophobicContact CB-CH2 3.82Å; E994-W1023 HydrophobicContact CG-CH2 3.79Å; E994-W1023 HydrophobicContact CG-CZ3 4.19Å; F1010-W1023 VanDerWaalsContact CA-O 3.27Å; F1010-W1023 WeakPolarHBondContact CA-O 3.3Å; F1011-W1023 HydrophobicContact CD1-CB 3.61Å; F1011-W1023 HydrophobicContact CD1-CG 4.35Å; F1011-W1023 HydrophobicContact CD2-CB 4.19Å; F1011-W1023 AromaticContact CD2-CD1 3.56Å; F1011-W1023 HydrophobicContact CD2-CG 4.11Å; F1011-W1023 HydrophobicContact CE1-CB 3.24Å; F1011-W1023 AromaticContact CE1-CG 3.82Å; F1011-W1023 HydrophobicContact CE1-CG 3.82Å; F1011-W1023 HydrophobicContact CE2-CB 3.86Å; F1011-W1023 AromaticContact CE2-CD1 3.16Å; F1011-W1023 HydrophobicContact CE2-CD2 4.31Å; F1011-W1023 AromaticContact CE2-CG 3.53Å; F1011-W1023 HydrophobicContact CE2-CG 3.53Å; F1011-W1023 AromaticContact CE2-NE1 3.73Å; F1011-W1023 HydrophobicContact CG-CB 4.07Å; F1011-W1023 HydrophobicContact CG-CG 4.49Å; F1011-W1023 HydrophobicContact CZ-CB 3.37Å; F1011-W1023 AromaticContact CZ-CD1 3.55Å; F1011-W1023 HydrophobicContact CZ-CD2 4.04Å; F1011-W1023 AromaticContact CZ-CG 3.36Å; F1011-W1023 HydrophobicContact CZ-CG 3.36Å; F1011-W1023 PolarHBondContact N-O 3.17Å; F1011-W1023 PolarHBondContact O-N 2.69Å; S1013-W1023 PolarHBondContact OG-NE1 3.34Å; K1021-W1023 HydrophobicContact CB-CZ2 3.93Å; K1021-W1023 HydrophobicContact CD-CH2 4.16Å; K1021-W1023 HydrophobicContact CD-CZ2 3.63Å; K1021-W1023 HydrophobicContact CG-CZ2 4.44Å; W1023-M1028 HydrophobicContact CB-CE 3.7Å; W1023-M1028 HydrophobicContact CD2-CE 4.09Å; W1023-M1028 HydrophobicContact CE3-CE 3.49Å; W1023-M1028 VanDerWaalsContact CE3-CE 3.49Å; W1023-M1028 HydrophobicContact CG-CE 4.22Å; W1023-M1028 HydrophobicContact CZ3-CE 4.39Å; W1023-S1037 VanDerWaalsContact CE3-CA 3.43Å; W1023-I1361 HydrophobicContact CZ2-CD1 4.03Å |
| 1024 | D | 88.2 | Confident | 81.9 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.8 | 176.3 | -172.1 | -6.9 | 0 | 0 | 0 | 109.9 | R1009 F1010 K1026 S1027 A1038 | R1009-D1024 WeakPolarHBondContact CG-OD1 3.48Å; R1009-D1024 IonicContact CZ-OD2 3.09Å; R1009-D1024 IonicContact NE-OD1 2.78Å; R1009-D1024 PolarHBondContact NE-OD1 3.08Å; R1009-D1024 VanDerWaalsContact NE-OD1 3.12Å; R1009-D1024 IonicContact NE-OD2 2.82Å; R1009-D1024 PolarHBondContact NE-OD2 3.25Å; R1009-D1024 IonicContact NH2-OD1 3.81Å; R1009-D1024 IonicContact NH2-OD2 2.62Å; R1009-D1024 PolarHBondContact NH2-OD2 2.8Å; F1010-D1024 HydrophobicContact CD1-CB 4.06Å; F1010-D1024 HydrophobicContact CE1-CB 3.81Å; D1024-K1026 PolarHBondContact O-N 3.14Å; D1024-K1026 VanDerWaalsContact OD1-CB 3.28Å; D1024-K1026 WeakPolarHBondContact OD1-CB 3.49Å; D1024-K1026 PolarHBondContact OD1-N 3.1Å; D1024-K1026 VanDerWaalsContact OD1-N 3.11Å; D1024-S1027 WeakPolarHBondContact O-CB 3.31Å; D1024-S1027 PolarHBondContact O-N 3.26Å; D1024-S1027 VanDerWaalsContact O-N 3.08Å; D1024-S1027 PolarHBondContact O-OG 3.44Å; D1024-A1038 HydrophobicContact CB-CB 4.29Å |
| 1025 | I | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | -178.2 | -70.5 | 159.1 | 0 | 0 | 0 | 111.1 | G1008 R1009 F1011 S1027 M1028 I1029 C1345 F1347 L1351 I1353 L1363 | G1008-I1025 WeakPolarHBondContact O-CD1 3.45Å; R1009-I1025 WeakPolarHBondContact O-CB 3.48Å; R1009-I1025 PolarHBondContact O-N 3.25Å; F1011-I1025 HydrophobicContact CD1-CD1 3.94Å; F1011-I1025 HydrophobicContact CD1-CG1 3.83Å; F1011-I1025 HydrophobicContact CE1-CG1 4.1Å; I1025-S1027 PolarHBondContact O-N 2.67Å; I1025-M1028 PolarHBondContact O-N 3.08Å; I1025-I1029 HydrophobicContact CG2-CD1 3.51Å; I1025-I1029 HydrophobicContact CG2-CG1 4.11Å; I1025-I1029 PolarHBondContact O-N 2.94Å; I1025-I1029 VanDerWaalsContact O-N 3.1Å; I1025-C1345 HydrophobicContact CD1-CB 4.18Å; I1025-C1345 VanDerWaalsContact CD1-SG 3.54Å; I1025-F1347 HydrophobicContact CG2-CB 4.01Å; I1025-F1347 HydrophobicContact CG2-CD1 4.42Å; I1025-F1347 HydrophobicContact CG2-CG 4.12Å; I1025-L1351 HydrophobicContact CG2-CD1 3.82Å; I1025-I1353 HydrophobicContact CD1-CD1 4.36Å; I1025-L1363 HydrophobicContact CG1-CD2 4.36Å |
| 1026 | K | 83.2 | Confident | 80.7 | Confident | 124 Ų | 124 | 57.8 Ų | 57.8 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.8 | -35.7 | 176.9 | -171.2 | 177.9 | -177.6 | 170.2 | 0 | 111.8 | D1024 M1028 G1030 F1347 | D1024-K1026 PolarHBondContact O-N 3.14Å; D1024-K1026 VanDerWaalsContact OD1-CB 3.28Å; D1024-K1026 WeakPolarHBondContact OD1-CB 3.49Å; D1024-K1026 PolarHBondContact OD1-N 3.1Å; D1024-K1026 VanDerWaalsContact OD1-N 3.11Å; K1026-M1028 VanDerWaalsContact C-N 3.28Å; K1026-M1028 PolarHBondContact O-N 3.11Å; K1026-G1030 PolarHBondContact O-N 3.35Å; K1026-F1347 HydrophobicContact CB-CE1 4.01Å; K1026-F1347 HydrophobicContact CB-CE2 4.13Å; K1026-F1347 HydrophobicContact CB-CZ 3.53Å; K1026-F1347 HydrophobicContact CD-CZ 3.97Å; K1026-F1347 HydrophobicContact CG-CE1 4.06Å; K1026-F1347 HydrophobicContact CG-CZ 3.66Å |
| 1027 | S | 80.1 | Confident | 80.3 | Confident | 40 Ų | 40 | 57.1 Ų | 57.1 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71.4 | -25.3 | 179.4 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | D1024 I1025 S1032 | D1024-S1027 WeakPolarHBondContact O-CB 3.31Å; D1024-S1027 PolarHBondContact O-N 3.26Å; D1024-S1027 VanDerWaalsContact O-N 3.08Å; D1024-S1027 PolarHBondContact O-OG 3.44Å; I1025-S1027 PolarHBondContact O-N 2.67Å; S1027-S1032 WeakPolarHBondContact O-CB 3.38Å |
| 1028 | M | 81.1 | Confident | 79.9 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -89.1 | -35.1 | -175.7 | -60.8 | 173.4 | -179 | 0 | 0 | 113 | A990 L992 F1011 W1023 I1025 K1026 G1030 L1363 | A990-M1028 HydrophobicContact CB-CB 4.28Å; L992-M1028 HydrophobicContact CD1-CE 3.72Å; L992-M1028 HydrophobicContact CD1-SD 4.16Å; L992-M1028 HydrophobicContact CD2-CE 3.95Å; L992-M1028 HydrophobicContact CD2-SD 4.28Å; F1011-M1028 HydrophobicContact CE1-CE 4.22Å; F1011-M1028 HydrophobicContact CE1-SD 4.28Å; F1011-M1028 HydrophobicContact CZ-CE 4.42Å; W1023-M1028 HydrophobicContact CB-CE 3.7Å; W1023-M1028 HydrophobicContact CD2-CE 4.09Å; W1023-M1028 HydrophobicContact CE3-CE 3.49Å; W1023-M1028 VanDerWaalsContact CE3-CE 3.49Å; W1023-M1028 HydrophobicContact CG-CE 4.22Å; W1023-M1028 HydrophobicContact CZ3-CE 4.39Å; I1025-M1028 PolarHBondContact O-N 3.08Å; K1026-M1028 VanDerWaalsContact C-N 3.28Å; K1026-M1028 PolarHBondContact O-N 3.11Å; M1028-G1030 VanDerWaalsContact C-N 3.35Å; M1028-L1363 HydrophobicContact SD-CD1 4.21Å; M1028-L1363 HydrophobicContact SD-CD2 3.65Å |
| 1029 | I | 76.1 | Confident | 79.6 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.2 | -25.7 | 177.4 | -57.6 | 168.5 | 0 | 0 | 0 | 111.1 | I1025 F1347 L1351 | I1025-I1029 HydrophobicContact CG2-CD1 3.51Å; I1025-I1029 HydrophobicContact CG2-CG1 4.11Å; I1025-I1029 PolarHBondContact O-N 2.94Å; I1025-I1029 VanDerWaalsContact O-N 3.1Å; I1029-F1347 HydrophobicContact CD1-CD1 3.85Å; I1029-L1351 HydrophobicContact CD1-CD1 3.76Å; I1029-L1351 HydrophobicContact CG1-CD1 4.45Å |
| 1030 | G | 64.4 | Low | 79.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -73.1 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1026 M1028 S1032 | K1026-G1030 PolarHBondContact O-N 3.35Å; M1028-G1030 VanDerWaalsContact C-N 3.35Å; G1030-S1032 PolarHBondContact O-N 3.27Å |
| 1031 | R | 57.8 | Low | 79.1 | Confident | 260 Ų | 260 | 63 Ų | 63 | 98% | 0.981 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -70.4 | 31.3 | 173.3 | -62.7 | -177.5 | -179.6 | 178.4 | -0.3 | 113.7 | ||
| 1032 | S | 52.7 | Low | 78.8 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | trans | -73.4 | 132.1 | 176.4 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | S1027 G1030 S1034 | S1027-S1032 WeakPolarHBondContact O-CB 3.38Å; G1030-S1032 PolarHBondContact O-N 3.27Å; S1032-S1034 PolarHBondContact O-N 2.82Å; S1032-S1034 PolarHBondContact OG-O 2.72Å | ||
| 1033 | M | 55.1 | Low | 78.2 | Confident | 201 Ų | 201 | 72.4 Ų | 72.4 | 99% | 0.99 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77 | -3.7 | 179.9 | -64.8 | -144 | -57.1 | 0 | 0 | 113.8 | ||
| 1034 | S | 67.4 | Low | 78 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | trans | -141.5 | 120.3 | -178.9 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | S1032 R1036 | S1032-S1034 PolarHBondContact O-N 2.82Å; S1032-S1034 PolarHBondContact OG-O 2.72Å; S1034-R1036 PolarHBondContact O-N 2.76Å | ||
| 1035 | N | 78.6 | Confident | 77.7 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | trans | -83 | 86.7 | 170.5 | -69 | -28.3 | 0 | 0 | 0 | 109.7 | A990 L992 | A990-N1035 WeakPolarHBondContact CB-ND2 3.23Å; L992-N1035 HydrophobicContact CD2-CB 3.53Å | ||
| 1036 | R | 83.4 | Confident | 77.8 | Confident | 180 Ų | 180 | 78.8 Ų | 78.8 | 68% | 0.679 | 42% | 0.417 | S | S | * | . | trans | -116.2 | 155.5 | 177.6 | -71.1 | -170.8 | 179.3 | -173.8 | 0.8 | 111.9 | E994 S1034 | E994-R1036 WeakPolarHBondContact OE1-CA 3.35Å; E994-R1036 VanDerWaalsContact OE1-CB 3.27Å; E994-R1036 WeakPolarHBondContact OE1-CB 3.2Å; S1034-R1036 PolarHBondContact O-N 2.76Å | ||
| 1037 | S | 86.1 | Confident | 78.3 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | trans | -62.6 | 141 | 171.8 | 61.3 | 0 | 0 | 0 | 0 | 110 | E994 I1022 W1023 C1039 | E994-S1037 PolarHBondContact OE1-N 2.89Å; E994-S1037 VanDerWaalsContact OE2-CB 3.32Å; E994-S1037 WeakPolarHBondContact OE2-CB 3.31Å; E994-S1037 PolarHBondContact OE2-OG 2.94Å; I1022-S1037 CarbonylContact O-C 3.57Å; I1022-S1037 WeakPolarHBondContact O-CB 3.45Å; W1023-S1037 VanDerWaalsContact CE3-CA 3.43Å; S1037-C1039 VanDerWaalsContact C-N 3.25Å | ||
| 1038 | A | 84.8 | Confident | 78.9 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -65.5 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1022 D1024 | I1022-A1038 PolarHBondContact O-N 3.32Å; D1024-A1038 HydrophobicContact CB-CB 4.29Å |
| 1039 | C | 84.4 | Confident | 79.5 | Confident | 22 Ų | 22 | 77 Ų | 77 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.4 | 169.2 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | K1021 I1022 S1037 F1041 | K1021-C1039 WeakPolarHBondContact CA-O 3.48Å; I1022-C1039 VanDerWaalsContact CB-SG 3.59Å; I1022-C1039 PolarHBondContact N-O 3.35Å; I1022-C1039 PolarHBondContact O-N 3.24Å; S1037-C1039 VanDerWaalsContact C-N 3.25Å; C1039-F1041 HydrophobicContact CB-CE2 3.73Å; C1039-F1041 HydrophobicContact CB-CZ 3.76Å; C1039-F1041 WeakPolarHBondContact SG-CE2 3.45Å |
| 1040 | S | 88.7 | Confident | 80.4 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 119.9 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | K1021 | K1021-S1040 PolarHBondContact NZ-OG 2.82Å |
| 1041 | F | 85.1 | Confident | 81.9 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.3 | -177.7 | -54.9 | -80.1 | 0 | 0 | 0 | 109.9 | C1019 L1020 I1022 C1039 E1043 K1082 | C1019-F1041 CarbonylContact C-O 3.46Å; C1019-F1041 VanDerWaalsContact CA-O 3.28Å; C1019-F1041 WeakPolarHBondContact CA-O 3.33Å; L1020-F1041 PolarHBondContact N-O 2.78Å; L1020-F1041 PolarHBondContact O-N 2.81Å; I1022-F1041 HydrophobicContact CD1-CE2 4.29Å; C1039-F1041 HydrophobicContact CB-CE2 3.73Å; C1039-F1041 HydrophobicContact CB-CZ 3.76Å; C1039-F1041 WeakPolarHBondContact SG-CE2 3.45Å; F1041-E1043 VanDerWaalsContact C-N 3.32Å; F1041-E1043 HydrophobicContact CB-CG 3.83Å; F1041-E1043 PolarHBondContact O-N 2.88Å; F1041-E1043 VanDerWaalsContact O-N 3.08Å; F1041-K1082 HydrophobicContact CD1-CD 4.19Å; F1041-K1082 HydrophobicContact CD2-CD 3.78Å; F1041-K1082 HydrophobicContact CE1-CB 4.33Å; F1041-K1082 HydrophobicContact CE1-CD 4.17Å; F1041-K1082 HydrophobicContact CE2-CB 4.12Å; F1041-K1082 HydrophobicContact CE2-CD 3.74Å; F1041-K1082 HydrophobicContact CG-CD 4Å; F1041-K1082 HydrophobicContact CZ-CB 3.78Å; F1041-K1082 HydrophobicContact CZ-CD 3.94Å |
| 1042 | K | 85.8 | Confident | 83.6 | Confident | 166 Ų | 166 | 61.2 Ų | 61.2 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 82.4 | 171.1 | -168.7 | 170.1 | -173.7 | 173.9 | 0 | 109.4 | ||
| 1043 | E | 80.6 | Confident | 85.5 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 23% | 0.229 | 32% | 0.318 | C | S | . | . | trans | -83.3 | -26.9 | -170.3 | -77.3 | -60.2 | 153.1 | 0 | 0 | 114.5 | G1018 L1020 F1041 K1068 F1070 K1082 | G1018-E1043 PolarHBondContact O-N 2.8Å; L1020-E1043 HydrophobicContact CB-CG 4.39Å; F1041-E1043 VanDerWaalsContact C-N 3.32Å; F1041-E1043 HydrophobicContact CB-CG 3.83Å; F1041-E1043 PolarHBondContact O-N 2.88Å; F1041-E1043 VanDerWaalsContact O-N 3.08Å; E1043-K1068 PolarHBondContact O-NZ 3.2Å; E1043-K1068 IonicContact OE2-NZ 3.24Å; E1043-K1068 PolarHBondContact OE2-NZ 3.18Å; E1043-K1068 VanDerWaalsContact OE2-NZ 3.16Å; E1043-F1070 HydrophobicContact CG-CE2 4.4Å; E1043-F1070 HydrophobicContact CG-CZ 4.25Å; E1043-F1070 WeakPolarHBondContact OE2-CZ 3.4Å; E1043-K1082 IonicContact OE1-NZ 2.76Å; E1043-K1082 PolarHBondContact OE1-NZ 3.5Å; E1043-K1082 IonicContact OE2-NZ 3.58Å | ||
| 1044 | F | 86.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | trans | -122.4 | 139.9 | -170.8 | -55.9 | -69 | 0 | 0 | 0 | 109.7 | G1018 S1046 A1048 C1060 S1066 K1068 | G1018-F1044 PolarHBondContact O-N 2.96Å; F1044-S1046 WeakPolarHBondContact CB-O 3.43Å; F1044-A1048 HydrophobicContact CD2-CB 3.71Å; F1044-A1048 HydrophobicContact CE2-CB 4.07Å; F1044-C1060 HydrophobicContact CE2-CB 4.13Å; F1044-C1060 HydrophobicContact CZ-CB 4.12Å; F1044-C1060 VanDerWaalsContact CZ-SG 3.53Å; F1044-S1066 WeakPolarHBondContact CD1-OG 3.47Å; F1044-S1066 WeakPolarHBondContact CE1-OG 3.27Å; F1044-K1068 HydrophobicContact CE1-CD 3.76Å; F1044-K1068 HydrophobicContact CE1-CG 4.03Å; F1044-K1068 HydrophobicContact CZ-CD 4.18Å; F1044-K1068 HydrophobicContact CZ-CG 4.39Å | ||
| 1045 | A | 81.9 | Confident | 87.9 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 93% | 0.926 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -75.6 | -22.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1046 | S | 90.9 | Very high | 88.3 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -111.9 | -171.6 | 176.8 | 78 | 0 | 0 | 0 | 0 | 111.7 | G1018 F1044 A1048 S1062 S1063 D1064 | G1018-S1046 WeakPolarHBondContact CA-O 3.41Å; F1044-S1046 WeakPolarHBondContact CB-O 3.43Å; S1046-A1048 PolarHBondContact O-N 2.98Å; S1046-S1062 PolarHBondContact OG-OG 3.42Å; S1046-S1063 VanDerWaalsContact CB-OG 3.24Å; S1046-S1063 WeakPolarHBondContact CB-OG 3.47Å; S1046-S1063 PolarHBondContact OG-OG 3.47Å; S1046-D1064 WeakPolarHBondContact OG-CB 3.35Å; S1046-D1064 VanDerWaalsContact OG-CG 3.22Å; S1046-D1064 PolarHBondContact OG-N 2.68Å; S1046-D1064 PolarHBondContact OG-OD2 3.1Å |
| 1047 | K | 92.4 | Very high | 88.6 | Confident | 116 Ų | 116 | 45 Ų | 45 | 50% | 0.504 | 25% | 0.253 | S | S | . | . | trans | -71.5 | 129 | -175 | -58.9 | 177.7 | -178.9 | 177.8 | 0 | 109.6 | T1049 S1062 S1063 | K1047-T1049 PolarHBondContact O-N 3.15Å; K1047-S1062 CarbonylContact O-C 3.53Å; K1047-S1062 WeakPolarHBondContact O-CA 3.46Å; K1047-S1062 PolarHBondContact O-OG 2.93Å; K1047-S1063 PolarHBondContact N-OG 2.92Å; K1047-S1063 VanDerWaalsContact N-OG 3.12Å; K1047-S1063 PolarHBondContact O-N 2.81Å; K1047-S1063 PolarHBondContact O-OG 3.38Å | ||
| 1048 | A | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 121.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | H1000 V1014 G1015 F1044 S1046 S1061 | H1000-A1048 PolarHBondContact CD2-O 3.35Å; V1014-A1048 HydrophobicContact CB-CB 3.7Å; V1014-A1048 HydrophobicContact CG1-CB 4.15Å; V1014-A1048 HydrophobicContact CG2-CB 4.44Å; G1015-A1048 WeakPolarHBondContact O-CB 3.48Å; G1015-A1048 PolarHBondContact O-N 3.04Å; G1015-A1048 VanDerWaalsContact O-N 3.11Å; F1044-A1048 HydrophobicContact CD2-CB 3.71Å; F1044-A1048 HydrophobicContact CE2-CB 4.07Å; S1046-A1048 PolarHBondContact O-N 2.98Å; A1048-S1061 CarbonylContact C-O 3.6Å; A1048-S1061 WeakPolarHBondContact CA-O 3.24Å |
| 1049 | T | 94.2 | Very high | 89.4 | Confident | 23 Ų | 23 | 42.8 Ų | 42.8 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -27.8 | -168.8 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | K1047 S1061 Y1094 L1095 | K1047-T1049 PolarHBondContact O-N 3.15Å; T1049-S1061 PolarHBondContact N-O 2.73Å; T1049-S1061 PolarHBondContact OG1-OG 2.83Å; T1049-Y1094 HydrophobicContact CG2-CD2 3.93Å; T1049-Y1094 HydrophobicContact CG2-CE2 4.14Å; T1049-L1095 WeakPolarHBondContact CB-O 3.49Å; T1049-L1095 PolarHBondContact OG1-O 3.18Å |
| 1050 | G | 94.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 159.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1060 S1061 | G1050-C1060 VanDerWaalsContact O-CA 3.26Å; G1050-C1060 WeakPolarHBondContact O-CA 3.45Å; G1050-S1061 PolarHBondContact N-OG 2.88Å; G1050-S1061 PolarHBondContact O-N 2.88Å |
| 1051 | V | 95.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.5 | 175.4 | 67.2 | 0 | 0 | 0 | 0 | 109.7 | R1001 A1003 A1012 V1014 L1020 I1058 V1059 C1060 | R1001-V1051 HydrophobicContact CB-CG1 4.04Å; R1001-V1051 WeakPolarHBondContact O-CG1 3.43Å; A1003-V1051 HydrophobicContact CB-CG1 4.03Å; A1003-V1051 HydrophobicContact CB-CG2 4.37Å; A1012-V1051 HydrophobicContact CB-CG2 4.05Å; V1014-V1051 HydrophobicContact CB-CB 4.36Å; V1014-V1051 HydrophobicContact CB-CG1 4.47Å; V1014-V1051 HydrophobicContact CG1-CB 3.7Å; V1014-V1051 HydrophobicContact CG1-CG1 4.18Å; V1014-V1051 HydrophobicContact CG1-CG2 4.2Å; V1014-V1051 HydrophobicContact CG2-CB 3.8Å; V1014-V1051 HydrophobicContact CG2-CG1 3.76Å; L1020-V1051 HydrophobicContact CD1-CG2 3.89Å; V1051-I1058 HydrophobicContact CG2-CG2 3.73Å; V1051-V1059 CarbonylContact C-O 3.53Å; V1051-V1059 VanDerWaalsContact CA-O 3.25Å; V1051-V1059 WeakPolarHBondContact CA-O 3.46Å; V1051-C1060 HydrophobicContact CG2-CB 4.45Å |
| 1052 | D | 94.7 | Very high | 90.6 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 155.1 | 172.1 | -165.2 | 18 | 0 | 0 | 0 | 110.5 | I1058 V1059 F1098 S1100 | D1052-I1058 WeakPolarHBondContact O-CA 3.39Å; D1052-V1059 PolarHBondContact N-O 2.59Å; D1052-V1059 PolarHBondContact O-N 2.86Å; D1052-F1098 HydrophobicContact CB-CD2 4.14Å; D1052-F1098 HydrophobicContact CB-CE2 3.56Å; D1052-F1098 HydrophobicContact CB-CZ 4.41Å; D1052-S1100 WeakPolarHBondContact OD2-CA 3.48Å; D1052-S1100 VanDerWaalsContact OD2-CB 3.24Å; D1052-S1100 WeakPolarHBondContact OD2-CB 3.32Å; D1052-S1100 PolarHBondContact OD2-N 3.49Å; D1052-S1100 PolarHBondContact OD2-OG 3.08Å |
| 1053 | I | 91.9 | Very high | 91 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 115.4 | -179.5 | -61.1 | 175.1 | 0 | 0 | 0 | 109.2 | A1003 H1005 A1012 D1055 F1057 I1058 | A1003-I1053 HydrophobicContact CB-CB 4.25Å; A1003-I1053 HydrophobicContact CB-CD1 3.93Å; A1003-I1053 HydrophobicContact CB-CG1 3.64Å; A1003-I1053 WeakPolarHBondContact O-CD1 3.38Å; H1005-I1053 HydrophobicContact CB-CD1 4.3Å; H1005-I1053 HydrophobicContact CB-CG2 4.34Å; A1012-I1053 HydrophobicContact CB-CD1 3.94Å; I1053-D1055 VanDerWaalsContact CG2-O 3.26Å; I1053-D1055 WeakPolarHBondContact CG2-O 3.32Å; I1053-F1057 WeakPolarHBondContact CA-O 3.44Å; I1053-I1058 HydrophobicContact CG1-CG1 4.18Å; I1053-I1058 HydrophobicContact CG1-CG2 4.44Å |
| 1054 | A | 89 | Confident | 91.4 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 111.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | N1056 F1057 F1102 L1107 | A1054-N1056 PolarHBondContact O-N 3.01Å; A1054-N1056 VanDerWaalsContact O-N 3.16Å; A1054-F1057 PolarHBondContact N-O 2.91Å; A1054-F1057 PolarHBondContact O-N 3.06Å; A1054-F1102 HydrophobicContact CB-CD2 4.03Å; A1054-F1102 HydrophobicContact CB-CE2 3.89Å; A1054-F1102 WeakPolarHBondContact O-CE2 3.25Å; A1054-L1107 HydrophobicContact CB-CD1 3.74Å |
| 1055 | D | 84.1 | Confident | 91.6 | Very high | 89 Ų | 89 | 31.3 Ų | 31.3 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -118.5 | -170.5 | -59.7 | -34.7 | 0 | 0 | 0 | 111.3 | H1005 I1053 F1102 | H1005-D1055 PolarHBondContact CD2-O 3.14Å; H1005-D1055 PolarHBondContact NE2-O 3.33Å; H1005-D1055 VanDerWaalsContact NE2-O 3.16Å; I1053-D1055 VanDerWaalsContact CG2-O 3.26Å; I1053-D1055 WeakPolarHBondContact CG2-O 3.32Å; D1055-F1102 HydrophobicContact CB-CE2 4.11Å; D1055-F1102 WeakPolarHBondContact OD2-CD2 3.4Å |
| 1056 | N | 86.6 | Confident | 92 | Very high | 62 Ų | 62 | 26.9 Ų | 26.9 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 13.6 | 178.8 | -66.2 | -27.2 | 0 | 0 | 0 | 113.2 | H1005 A1054 M1072 L1074 | H1005-N1056 PolarHBondContact NE2-OD1 2.93Å; H1005-N1056 VanDerWaalsContact NE2-OD1 3.09Å; A1054-N1056 PolarHBondContact O-N 3.01Å; A1054-N1056 VanDerWaalsContact O-N 3.16Å; N1056-M1072 PolarHBondContact O-N 3.49Å; N1056-L1074 WeakPolarHBondContact OD1-CD1 3.38Å |
| 1057 | F | 89.8 | Confident | 92.1 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.9 | 178.5 | -72.6 | -99.5 | 0 | 0 | 0 | 111.4 | I1053 A1054 F1070 K1071 F1102 L1107 | I1053-F1057 WeakPolarHBondContact CA-O 3.44Å; A1054-F1057 PolarHBondContact N-O 2.91Å; A1054-F1057 PolarHBondContact O-N 3.06Å; F1057-F1070 CarbonylContact C-O 3.57Å; F1057-F1070 VanDerWaalsContact CA-O 3.25Å; F1057-F1070 WeakPolarHBondContact CA-O 3.42Å; F1057-K1071 HydrophobicContact CD1-CB 4.2Å; F1057-K1071 HydrophobicContact CE1-CB 3.95Å; F1057-K1071 HydrophobicContact CE1-CD 4.29Å; F1057-K1071 HydrophobicContact CE1-CG 4.13Å; F1057-K1071 HydrophobicContact CE2-CD 4.43Å; F1057-K1071 HydrophobicContact CE2-CG 4.34Å; F1057-K1071 HydrophobicContact CZ-CB 4.37Å; F1057-K1071 HydrophobicContact CZ-CD 3.92Å; F1057-K1071 HydrophobicContact CZ-CG 4.06Å; F1057-F1102 HydrophobicContact CD2-CE2 4.15Å; F1057-F1102 AromaticContact CD2-CZ 3.5Å; F1057-F1102 HydrophobicContact CD2-CZ 3.5Å; F1057-F1102 VanDerWaalsContact CD2-CZ 3.5Å; F1057-F1102 HydrophobicContact CE2-CE1 4.47Å; F1057-F1102 AromaticContact CE2-CZ 3.79Å; F1057-F1102 HydrophobicContact CE2-CZ 3.79Å; F1057-F1102 HydrophobicContact CG-CZ 4.27Å; F1057-L1107 HydrophobicContact CB-CD2 3.83Å; F1057-L1107 HydrophobicContact CD1-CD2 4.06Å; F1057-L1107 HydrophobicContact CG-CD2 4.09Å |
| 1058 | I | 92.4 | Very high | 92 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.2 | 173.8 | -49.1 | -179.8 | 0 | 0 | 0 | 107.8 | L1020 I1022 V1051 D1052 I1053 F1070 M1072 | L1020-I1058 HydrophobicContact CD1-CG2 4.3Å; L1020-I1058 HydrophobicContact CD2-CG2 4.33Å; I1022-I1058 HydrophobicContact CD1-CD1 3.61Å; I1022-I1058 HydrophobicContact CG1-CD1 4.33Å; V1051-I1058 HydrophobicContact CG2-CG2 3.73Å; D1052-I1058 WeakPolarHBondContact O-CA 3.39Å; I1053-I1058 HydrophobicContact CG1-CG1 4.18Å; I1053-I1058 HydrophobicContact CG1-CG2 4.44Å; I1058-F1070 HydrophobicContact CB-CB 4.29Å; I1058-F1070 PolarHBondContact N-O 3.5Å; I1058-F1070 PolarHBondContact O-N 3.26Å; I1058-M1072 HydrophobicContact CD1-CB 4.43Å; I1058-M1072 HydrophobicContact CD1-SD 4.31Å |
| 1059 | V | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.7 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | V1051 D1052 V1067 K1068 F1069 F1098 S1100 L1107 V1109 | V1051-V1059 CarbonylContact C-O 3.53Å; V1051-V1059 VanDerWaalsContact CA-O 3.25Å; V1051-V1059 WeakPolarHBondContact CA-O 3.46Å; D1052-V1059 PolarHBondContact N-O 2.59Å; D1052-V1059 PolarHBondContact O-N 2.86Å; V1059-V1067 HydrophobicContact CG1-CG1 4.31Å; V1059-K1068 WeakPolarHBondContact CA-O 3.32Å; V1059-F1069 HydrophobicContact CB-CD1 4.24Å; V1059-F1069 HydrophobicContact CB-CE1 4.45Å; V1059-F1069 HydrophobicContact CG1-CD1 3.76Å; V1059-F1069 HydrophobicContact CG1-CE1 3.63Å; V1059-F1069 HydrophobicContact CG2-CD1 3.8Å; V1059-F1069 HydrophobicContact CG2-CE1 4.07Å; V1059-F1069 HydrophobicContact CG2-CG 4.32Å; V1059-F1098 HydrophobicContact CB-CE2 3.86Å; V1059-F1098 HydrophobicContact CG1-CD2 4.05Å; V1059-F1098 HydrophobicContact CG1-CE2 3.49Å; V1059-F1098 VanDerWaalsContact CG1-CE2 3.49Å; V1059-F1098 HydrophobicContact CG1-CZ 4.04Å; V1059-S1100 WeakPolarHBondContact CG2-OG 3.46Å; V1059-L1107 HydrophobicContact CG2-CD2 3.92Å; V1059-V1109 HydrophobicContact CB-CG2 4.47Å; V1059-V1109 HydrophobicContact CG1-CG1 4.16Å; V1059-V1109 HydrophobicContact CG1-CG2 4.04Å; V1059-V1109 HydrophobicContact CG2-CG2 3.8Å |
| 1060 | C | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 148.4 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | V1014 F1044 G1050 V1051 V1067 K1068 F1070 | V1014-C1060 HydrophobicContact CG1-CB 4.49Å; F1044-C1060 HydrophobicContact CE2-CB 4.13Å; F1044-C1060 HydrophobicContact CZ-CB 4.12Å; F1044-C1060 VanDerWaalsContact CZ-SG 3.53Å; G1050-C1060 VanDerWaalsContact O-CA 3.26Å; G1050-C1060 WeakPolarHBondContact O-CA 3.45Å; V1051-C1060 HydrophobicContact CG2-CB 4.45Å; C1060-V1067 CarbonylContact O-C 3.56Å; C1060-V1067 WeakPolarHBondContact O-CA 3.48Å; C1060-K1068 PolarHBondContact N-O 3.22Å; C1060-K1068 PolarHBondContact O-N 3.21Å; C1060-F1070 WeakPolarHBondContact SG-CE2 3.39Å |
| 1061 | S | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 163.1 | 179.8 | 63.1 | 0 | 0 | 0 | 0 | 112 | A1048 T1049 G1050 S1066 F1098 | A1048-S1061 CarbonylContact C-O 3.6Å; A1048-S1061 WeakPolarHBondContact CA-O 3.24Å; T1049-S1061 PolarHBondContact N-O 2.73Å; T1049-S1061 PolarHBondContact OG1-OG 2.83Å; G1050-S1061 PolarHBondContact N-OG 2.88Å; G1050-S1061 PolarHBondContact O-N 2.88Å; S1061-S1066 CarbonylContact C-O 3.6Å; S1061-S1066 VanDerWaalsContact CA-O 3.29Å; S1061-S1066 WeakPolarHBondContact CA-O 3.37Å; S1061-F1098 VanDerWaalsContact OG-CE1 3.26Å; S1061-F1098 WeakPolarHBondContact OG-CE1 3.37Å |
| 1062 | S | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.4 | -176.8 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | S1046 K1047 D1064 G1065 S1066 Y1094 | S1046-S1062 PolarHBondContact OG-OG 3.42Å; K1047-S1062 CarbonylContact O-C 3.53Å; K1047-S1062 WeakPolarHBondContact O-CA 3.46Å; K1047-S1062 PolarHBondContact O-OG 2.93Å; S1062-D1064 WeakPolarHBondContact CB-OD1 3.33Å; S1062-D1064 PolarHBondContact O-N 2.87Å; S1062-D1064 VanDerWaalsContact O-N 3.14Å; S1062-D1064 PolarHBondContact OG-OD1 2.83Å; S1062-D1064 PolarHBondContact OG-OD2 3.36Å; S1062-G1065 PolarHBondContact O-N 2.86Å; S1062-S1066 WeakPolarHBondContact CB-OG 3.44Å; S1062-S1066 PolarHBondContact N-O 3.02Å; S1062-Y1094 VanDerWaalsContact O-CB 3.28Å; S1062-Y1094 WeakPolarHBondContact O-CB 3.47Å |
| 1063 | S | 93.7 | Very high | 89.6 | Confident | 41 Ų | 41 | 27.7 Ų | 27.7 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.9 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | S1046 K1047 | S1046-S1063 VanDerWaalsContact CB-OG 3.24Å; S1046-S1063 WeakPolarHBondContact CB-OG 3.47Å; S1046-S1063 PolarHBondContact OG-OG 3.47Å; K1047-S1063 PolarHBondContact N-OG 2.92Å; K1047-S1063 VanDerWaalsContact N-OG 3.12Å; K1047-S1063 PolarHBondContact O-N 2.81Å; K1047-S1063 PolarHBondContact O-OG 3.38Å |
| 1064 | D | 89.6 | Confident | 88.6 | Confident | 74 Ų | 74 | 29.6 Ų | 29.6 | 40% | 0.396 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 4.4 | 171 | 55 | 35.5 | 0 | 0 | 0 | 113.2 | S1046 S1062 S1066 | S1046-D1064 WeakPolarHBondContact OG-CB 3.35Å; S1046-D1064 VanDerWaalsContact OG-CG 3.22Å; S1046-D1064 PolarHBondContact OG-N 2.68Å; S1046-D1064 PolarHBondContact OG-OD2 3.1Å; S1062-D1064 WeakPolarHBondContact CB-OD1 3.33Å; S1062-D1064 PolarHBondContact O-N 2.87Å; S1062-D1064 VanDerWaalsContact O-N 3.14Å; S1062-D1064 PolarHBondContact OG-OD1 2.83Å; S1062-D1064 PolarHBondContact OG-OD2 3.36Å; D1064-S1066 VanDerWaalsContact C-N 3.33Å; D1064-S1066 VanDerWaalsContact OD1-CB 3.26Å; D1064-S1066 WeakPolarHBondContact OD1-CB 3.27Å; D1064-S1066 PolarHBondContact OD1-N 2.98Å; D1064-S1066 PolarHBondContact OD1-OG 2.85Å |
| 1065 | G | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 85.9 | -2.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1062 L1090 D1093 | S1062-G1065 PolarHBondContact O-N 2.86Å; G1065-L1090 PolarHBondContact O-N 3.13Å; G1065-D1093 WeakPolarHBondContact CA-O 3.33Å |
| 1066 | S | 90.8 | Very high | 85.8 | Confident | 18 Ų | 18 | 33 Ų | 33 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 135 | 177.2 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | F1044 S1061 S1062 D1064 Y1088 | F1044-S1066 WeakPolarHBondContact CD1-OG 3.47Å; F1044-S1066 WeakPolarHBondContact CE1-OG 3.27Å; S1061-S1066 CarbonylContact C-O 3.6Å; S1061-S1066 VanDerWaalsContact CA-O 3.29Å; S1061-S1066 WeakPolarHBondContact CA-O 3.37Å; S1062-S1066 WeakPolarHBondContact CB-OG 3.44Å; S1062-S1066 PolarHBondContact N-O 3.02Å; D1064-S1066 VanDerWaalsContact C-N 3.33Å; D1064-S1066 VanDerWaalsContact OD1-CB 3.26Å; D1064-S1066 WeakPolarHBondContact OD1-CB 3.27Å; D1064-S1066 PolarHBondContact OD1-N 2.98Å; D1064-S1066 PolarHBondContact OD1-OG 2.85Å; S1066-Y1088 CarbonylContact C-O 3.59Å; S1066-Y1088 WeakPolarHBondContact CA-O 3.23Å |
| 1067 | V | 92.9 | Very high | 84 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 114.1 | 173.7 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | V1059 C1060 F1069 S1087 Y1088 L1090 L1095 F1121 | V1059-V1067 HydrophobicContact CG1-CG1 4.31Å; C1060-V1067 CarbonylContact O-C 3.56Å; C1060-V1067 WeakPolarHBondContact O-CA 3.48Å; V1067-F1069 HydrophobicContact CG1-CD1 4.44Å; V1067-F1069 HydrophobicContact CG1-CE1 3.8Å; V1067-S1087 CarbonylContact O-C 3.52Å; V1067-S1087 WeakPolarHBondContact O-CA 3.41Å; V1067-Y1088 PolarHBondContact N-O 3.17Å; V1067-Y1088 PolarHBondContact O-N 3.29Å; V1067-L1090 HydrophobicContact CG2-CD1 4.38Å; V1067-L1095 HydrophobicContact CG1-CD1 4.13Å; V1067-L1095 HydrophobicContact CG2-CD1 3.59Å; V1067-L1095 HydrophobicContact CG2-CG 3.93Å; V1067-F1121 HydrophobicContact CG2-CZ 4.29Å |
| 1068 | K | 91.1 | Very high | 82.4 | Confident | 42 Ų | 42 | 42.2 Ų | 42.2 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.9 | -172.2 | -64 | -176.3 | -179.9 | 176.2 | 0 | 111.4 | E1043 F1044 V1059 C1060 F1070 | E1043-K1068 PolarHBondContact O-NZ 3.2Å; E1043-K1068 IonicContact OE2-NZ 3.24Å; E1043-K1068 PolarHBondContact OE2-NZ 3.18Å; E1043-K1068 VanDerWaalsContact OE2-NZ 3.16Å; F1044-K1068 HydrophobicContact CE1-CD 3.76Å; F1044-K1068 HydrophobicContact CE1-CG 4.03Å; F1044-K1068 HydrophobicContact CZ-CD 4.18Å; F1044-K1068 HydrophobicContact CZ-CG 4.39Å; V1059-K1068 WeakPolarHBondContact CA-O 3.32Å; C1060-K1068 PolarHBondContact N-O 3.22Å; C1060-K1068 PolarHBondContact O-N 3.21Å; K1068-F1070 HydrophobicContact CB-CD2 4.31Å; K1068-F1070 HydrophobicContact CB-CE1 4.36Å; K1068-F1070 HydrophobicContact CB-CE2 3.55Å; K1068-F1070 HydrophobicContact CB-CZ 3.58Å; K1068-F1070 HydrophobicContact CD-CE2 4.18Å; K1068-F1070 HydrophobicContact CD-CZ 3.6Å; K1068-F1070 HydrophobicContact CG-CZ 4.23Å |
| 1069 | F | 90.7 | Very high | 81 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.3 | 178.1 | -61.5 | -1.1 | 0 | 0 | 0 | 109.1 | V1059 V1067 S1085 N1086 Y1088 L1107 V1109 F1121 | V1059-F1069 HydrophobicContact CB-CD1 4.24Å; V1059-F1069 HydrophobicContact CB-CE1 4.45Å; V1059-F1069 HydrophobicContact CG1-CD1 3.76Å; V1059-F1069 HydrophobicContact CG1-CE1 3.63Å; V1059-F1069 HydrophobicContact CG2-CD1 3.8Å; V1059-F1069 HydrophobicContact CG2-CE1 4.07Å; V1059-F1069 HydrophobicContact CG2-CG 4.32Å; V1067-F1069 HydrophobicContact CG1-CD1 4.44Å; V1067-F1069 HydrophobicContact CG1-CE1 3.8Å; F1069-S1085 WeakPolarHBondContact O-CB 3.3Å; F1069-S1085 PolarHBondContact O-N 3.49Å; F1069-N1086 HydrophobicContact CB-CB 4.39Å; F1069-N1086 HydrophobicContact CD2-CB 4.19Å; F1069-N1086 HydrophobicContact CG-CB 4.49Å; F1069-N1086 PolarHBondContact N-O 3.41Å; F1069-N1086 PolarHBondContact O-N 2.9Å; F1069-Y1088 HydrophobicContact CD1-CE2 4.4Å; F1069-Y1088 AromaticContact CD2-CE2 3.98Å; F1069-Y1088 HydrophobicContact CD2-CE2 3.98Å; F1069-Y1088 HydrophobicContact CE1-CD2 4.21Å; F1069-Y1088 AromaticContact CE1-CE2 3.95Å; F1069-Y1088 HydrophobicContact CE1-CE2 3.95Å; F1069-Y1088 AromaticContact CE2-CE2 3.5Å; F1069-Y1088 HydrophobicContact CE2-CE2 3.5Å; F1069-Y1088 VanDerWaalsContact CE2-CE2 3.5Å; F1069-Y1088 HydrophobicContact CG-CE2 4.41Å; F1069-Y1088 HydrophobicContact CZ-CD2 4.09Å; F1069-Y1088 AromaticContact CZ-CE2 3.47Å; F1069-Y1088 HydrophobicContact CZ-CE2 3.47Å; F1069-Y1088 VanDerWaalsContact CZ-CE2 3.47Å; F1069-L1107 HydrophobicContact CD2-CD2 3.92Å; F1069-L1107 HydrophobicContact CE2-CD2 4.27Å; F1069-L1107 HydrophobicContact CG-CD2 4.28Å; F1069-V1109 HydrophobicContact CE1-CG2 3.8Å; F1069-V1109 HydrophobicContact CE2-CG2 4.24Å; F1069-V1109 HydrophobicContact CZ-CB 4.16Å; F1069-V1109 HydrophobicContact CZ-CG2 3.52Å; F1069-F1121 HydrophobicContact CZ-CB 3.77Å |
| 1070 | F | 88 | Confident | 79.5 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.2 | -176.3 | -61.6 | -65.5 | 0 | 0 | 0 | 110.4 | L1020 E1043 F1057 I1058 C1060 K1068 K1082 F1083 | L1020-F1070 HydrophobicContact CD2-CD2 4.24Å; L1020-F1070 HydrophobicContact CD2-CE2 4.38Å; E1043-F1070 HydrophobicContact CG-CE2 4.4Å; E1043-F1070 HydrophobicContact CG-CZ 4.25Å; E1043-F1070 WeakPolarHBondContact OE2-CZ 3.4Å; F1057-F1070 CarbonylContact C-O 3.57Å; F1057-F1070 VanDerWaalsContact CA-O 3.25Å; F1057-F1070 WeakPolarHBondContact CA-O 3.42Å; I1058-F1070 HydrophobicContact CB-CB 4.29Å; I1058-F1070 PolarHBondContact N-O 3.5Å; I1058-F1070 PolarHBondContact O-N 3.26Å; C1060-F1070 WeakPolarHBondContact SG-CE2 3.39Å; K1068-F1070 HydrophobicContact CB-CD2 4.31Å; K1068-F1070 HydrophobicContact CB-CE1 4.36Å; K1068-F1070 HydrophobicContact CB-CE2 3.55Å; K1068-F1070 HydrophobicContact CB-CZ 3.58Å; K1068-F1070 HydrophobicContact CD-CE2 4.18Å; K1068-F1070 HydrophobicContact CD-CZ 3.6Å; K1068-F1070 HydrophobicContact CG-CZ 4.23Å; F1070-K1082 HydrophobicContact CB-CG 4.02Å; F1070-K1082 HydrophobicContact CD1-CD 4.13Å; F1070-K1082 HydrophobicContact CD1-CG 3.98Å; F1070-K1082 HydrophobicContact CE1-CD 4.44Å; F1070-K1082 HydrophobicContact CG-CD 4.21Å; F1070-K1082 HydrophobicContact CG-CG 4.11Å; F1070-F1083 CarbonylContact C-O 3.57Å; F1070-F1083 WeakPolarHBondContact CA-O 3.13Å |
| 1071 | K | 85.7 | Confident | 78.1 | Confident | 109 Ų | 109 | 49.4 Ų | 49.4 | 47% | 0.474 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.5 | 170.7 | -168.6 | 176.6 | -179.5 | -178.6 | 0 | 108.7 | F1057 F1083 | F1057-K1071 HydrophobicContact CD1-CB 4.2Å; F1057-K1071 HydrophobicContact CE1-CB 3.95Å; F1057-K1071 HydrophobicContact CE1-CD 4.29Å; F1057-K1071 HydrophobicContact CE1-CG 4.13Å; F1057-K1071 HydrophobicContact CE2-CD 4.43Å; F1057-K1071 HydrophobicContact CE2-CG 4.34Å; F1057-K1071 HydrophobicContact CZ-CB 4.37Å; F1057-K1071 HydrophobicContact CZ-CD 3.92Å; F1057-K1071 HydrophobicContact CZ-CG 4.06Å; K1071-F1083 PolarHBondContact N-O 3.07Å; K1071-F1083 PolarHBondContact O-N 2.95Å |
| 1072 | M | 81.1 | Confident | 76.7 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120.8 | 173.2 | -170.6 | 170 | 64.4 | 0 | 0 | 108.7 | H1005 I1022 N1056 I1058 L1074 P1080 | H1005-M1072 WeakPolarHBondContact CD2-CE 3.33Å; H1005-M1072 WeakPolarHBondContact NE2-CE 3.2Å; I1022-M1072 HydrophobicContact CD1-SD 4.39Å; N1056-M1072 PolarHBondContact O-N 3.49Å; I1058-M1072 HydrophobicContact CD1-CB 4.43Å; I1058-M1072 HydrophobicContact CD1-SD 4.31Å; M1072-L1074 HydrophobicContact CE-CD1 4.15Å; M1072-L1074 HydrophobicContact CE-CD2 3.92Å; M1072-L1074 HydrophobicContact CE-CG 4.14Å; M1072-L1074 HydrophobicContact CG-CD2 4.39Å; M1072-L1074 HydrophobicContact SD-CD2 4.38Å; M1072-P1080 HydrophobicContact CG-CB 3.73Å; M1072-P1080 HydrophobicContact SD-CB 3.72Å; M1072-P1080 HydrophobicContact SD-CG 4.47Å |
| 1073 | D | 76.9 | Confident | 75.2 | Confident | 66 Ų | 66 | 56.9 Ų | 56.9 | 35% | 0.353 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.5 | 173.5 | -166.9 | 2.7 | 0 | 0 | 0 | 110.1 | A1075 S1081 F1083 | D1073-A1075 WeakPolarHBondContact OD1-CB 3.49Å; D1073-A1075 PolarHBondContact OD1-N 3.26Å; D1073-S1081 PolarHBondContact N-O 3.47Å; D1073-F1083 HydrophobicContact CB-CD2 4.13Å; D1073-F1083 HydrophobicContact CB-CE2 3.77Å |
| 1074 | L | 70.5 | Confident | 74 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | trans | -103 | -4.8 | 178.4 | -66.7 | 174.5 | 0 | 0 | 0 | 112.1 | F1010 N1056 M1072 G1076 | F1010-L1074 HydrophobicContact CD2-CD2 4.05Å; F1010-L1074 HydrophobicContact CE2-CD2 3.6Å; F1010-L1074 HydrophobicContact CZ-CD2 4.4Å; N1056-L1074 WeakPolarHBondContact OD1-CD1 3.38Å; M1072-L1074 HydrophobicContact CE-CD1 4.15Å; M1072-L1074 HydrophobicContact CE-CD2 3.92Å; M1072-L1074 HydrophobicContact CE-CG 4.14Å; M1072-L1074 HydrophobicContact CG-CD2 4.39Å; M1072-L1074 HydrophobicContact SD-CD2 4.38Å; L1074-G1076 PolarHBondContact O-N 3.23Å | ||
| 1075 | A | 59.9 | Low | 73 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -78.4 | 81.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1073 | D1073-A1075 WeakPolarHBondContact OD1-CB 3.49Å; D1073-A1075 PolarHBondContact OD1-N 3.26Å |
| 1076 | G | 53.2 | Low | 72.6 | Confident | 82 Ų | 82 | 60.5 Ų | 60.5 | 85% | 0.845 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 105.9 | -7.6 | 157 | 0 | 0 | 0 | 0 | 0 | 117.6 | L1074 | L1074-G1076 PolarHBondContact O-N 3.23Š|
| 1077 | A | 49.7 | Very low | 72.3 | Confident | 61 Ų | 61 | 62.9 Ų | 62.9 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | trans | -92.2 | 141.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1079 | A1077-N1079 WeakPolarHBondContact CB-O 3.48Å; A1077-N1079 PolarHBondContact O-N 3.33Å | ||
| 1078 | R | 57.1 | Low | 72.1 | Confident | 230 Ų | 230 | 63.2 Ų | 63.2 | 87% | 0.868 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -57.2 | -25.8 | 168.7 | -84.6 | -176.5 | 176.2 | 177.6 | -1.1 | 112.1 | ||
| 1079 | N | 61.3 | Low | 71.8 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -122.1 | 137 | -178.1 | -63.6 | -7.4 | 0 | 0 | 0 | 110.5 | A1077 S1081 | A1077-N1079 WeakPolarHBondContact CB-O 3.48Å; A1077-N1079 PolarHBondContact O-N 3.33Å; N1079-S1081 PolarHBondContact O-N 2.72Å |
| 1080 | P | 62.4 | Low | 71.5 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 7% | 0.065 | 40% | 0.399 | C | S | . | . | trans | -62.5 | 129.5 | 175.9 | 24.5 | -31.2 | 0 | 0 | 0 | 110.6 | F1010 I1022 M1072 | F1010-P1080 HydrophobicContact CD1-CG 4.43Å; F1010-P1080 HydrophobicContact CE1-CG 4.16Å; I1022-P1080 HydrophobicContact CG2-CG 4Å; M1072-P1080 HydrophobicContact CG-CB 3.73Å; M1072-P1080 HydrophobicContact SD-CB 3.72Å; M1072-P1080 HydrophobicContact SD-CG 4.47Å | ||
| 1081 | S | 65 | Low | 71 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 32% | 0.322 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 146.7 | 170.9 | 61.1 | 0 | 0 | 0 | 0 | 110 | D1073 N1079 | D1073-S1081 PolarHBondContact N-O 3.47Å; N1079-S1081 PolarHBondContact O-N 2.72Å |
| 1082 | K | 66.7 | Low | 70.9 | Confident | 37 Ų | 37 | 78 Ų | 78 | 16% | 0.161 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.7 | -170.8 | 179.9 | -174.4 | 175.2 | -177 | 0 | 109.9 | F1041 E1043 F1070 | F1041-K1082 HydrophobicContact CD1-CD 4.19Å; F1041-K1082 HydrophobicContact CD2-CD 3.78Å; F1041-K1082 HydrophobicContact CE1-CB 4.33Å; F1041-K1082 HydrophobicContact CE1-CD 4.17Å; F1041-K1082 HydrophobicContact CE2-CB 4.12Å; F1041-K1082 HydrophobicContact CE2-CD 3.74Å; F1041-K1082 HydrophobicContact CG-CD 4Å; F1041-K1082 HydrophobicContact CZ-CB 3.78Å; F1041-K1082 HydrophobicContact CZ-CD 3.94Å; E1043-K1082 IonicContact OE1-NZ 2.76Å; E1043-K1082 PolarHBondContact OE1-NZ 3.5Å; E1043-K1082 IonicContact OE2-NZ 3.58Å; F1070-K1082 HydrophobicContact CB-CG 4.02Å; F1070-K1082 HydrophobicContact CD1-CD 4.13Å; F1070-K1082 HydrophobicContact CD1-CG 3.98Å; F1070-K1082 HydrophobicContact CE1-CD 4.44Å; F1070-K1082 HydrophobicContact CG-CD 4.21Å; F1070-K1082 HydrophobicContact CG-CG 4.11Å |
| 1083 | F | 63.1 | Low | 71.4 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 53% | 0.526 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.5 | 173.4 | -63.2 | -82.3 | 0 | 0 | 0 | 110.3 | F1070 K1071 D1073 S1085 | F1070-F1083 CarbonylContact C-O 3.57Å; F1070-F1083 WeakPolarHBondContact CA-O 3.13Å; K1071-F1083 PolarHBondContact N-O 3.07Å; K1071-F1083 PolarHBondContact O-N 2.95Å; D1073-F1083 HydrophobicContact CB-CD2 4.13Å; D1073-F1083 HydrophobicContact CB-CE2 3.77Å; F1083-S1085 PolarHBondContact O-N 3.35Å |
| 1084 | S | 68.5 | Low | 72.2 | Confident | 90 Ų | 90 | 78.2 Ų | 78.2 | 63% | 0.629 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 125.3 | 173.4 | -174 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1085 | S | 69.4 | Low | 73.4 | Confident | 53 Ų | 53 | 75.3 Ų | 75.3 | 37% | 0.371 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -55.1 | 176.9 | -172 | 0 | 0 | 0 | 0 | 110.8 | F1069 F1083 | F1069-S1085 WeakPolarHBondContact O-CB 3.3Å; F1069-S1085 PolarHBondContact O-N 3.49Å; F1083-S1085 PolarHBondContact O-N 3.35Å |
| 1086 | N | 80.8 | Confident | 75.1 | Confident | 48 Ų | 48 | 73 Ų | 73 | 26% | 0.257 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 158.5 | -179.8 | -70.1 | -55.8 | 0 | 0 | 0 | 111.3 | F1069 Y1088 S1123 | F1069-N1086 HydrophobicContact CB-CB 4.39Å; F1069-N1086 HydrophobicContact CD2-CB 4.19Å; F1069-N1086 HydrophobicContact CG-CB 4.49Å; F1069-N1086 PolarHBondContact N-O 3.41Å; F1069-N1086 PolarHBondContact O-N 2.9Å; N1086-Y1088 HydrophobicContact CB-CE2 4.09Å; N1086-S1123 PolarHBondContact ND2-O 3.5Å |
| 1087 | S | 85.3 | Confident | 77 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.9 | 172.4 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | V1067 | V1067-S1087 CarbonylContact O-C 3.52Å; V1067-S1087 WeakPolarHBondContact O-CA 3.41Å |
| 1088 | Y | 87.2 | Confident | 79.2 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.2 | 173.4 | -51.7 | -93.5 | 0 | 0 | 0 | 108.7 | S1066 V1067 F1069 N1086 F1121 D1122 M1125 S1126 | S1066-Y1088 CarbonylContact C-O 3.59Å; S1066-Y1088 WeakPolarHBondContact CA-O 3.23Å; V1067-Y1088 PolarHBondContact N-O 3.17Å; V1067-Y1088 PolarHBondContact O-N 3.29Å; F1069-Y1088 HydrophobicContact CD1-CE2 4.4Å; F1069-Y1088 AromaticContact CD2-CE2 3.98Å; F1069-Y1088 HydrophobicContact CD2-CE2 3.98Å; F1069-Y1088 HydrophobicContact CE1-CD2 4.21Å; F1069-Y1088 AromaticContact CE1-CE2 3.95Å; F1069-Y1088 HydrophobicContact CE1-CE2 3.95Å; F1069-Y1088 AromaticContact CE2-CE2 3.5Å; F1069-Y1088 HydrophobicContact CE2-CE2 3.5Å; F1069-Y1088 VanDerWaalsContact CE2-CE2 3.5Å; F1069-Y1088 HydrophobicContact CG-CE2 4.41Å; F1069-Y1088 HydrophobicContact CZ-CD2 4.09Å; F1069-Y1088 AromaticContact CZ-CE2 3.47Å; F1069-Y1088 HydrophobicContact CZ-CE2 3.47Å; F1069-Y1088 VanDerWaalsContact CZ-CE2 3.47Å; N1086-Y1088 HydrophobicContact CB-CE2 4.09Å; Y1088-F1121 AromaticContact CD1-CD1 3.83Å; Y1088-F1121 HydrophobicContact CD1-CD1 3.83Å; Y1088-F1121 HydrophobicContact CD1-CE1 4.41Å; Y1088-F1121 AromaticContact CD2-CD1 3.89Å; Y1088-F1121 HydrophobicContact CD2-CD1 3.89Å; Y1088-F1121 HydrophobicContact CE1-CD1 4.27Å; Y1088-F1121 HydrophobicContact CE2-CB 4.38Å; Y1088-F1121 HydrophobicContact CE2-CD1 4.38Å; Y1088-F1121 AromaticContact CG-CD1 3.62Å; Y1088-F1121 HydrophobicContact CG-CD1 3.62Å; Y1088-F1121 HydrophobicContact CG-CE1 4.05Å; Y1088-D1122 PolarHBondContact OH-O 3.11Å; Y1088-M1125 WeakPolarHBondContact CE1-O 3.41Å; Y1088-M1125 VanDerWaalsContact CZ-O 3.23Å; Y1088-M1125 PolarHBondContact OH-O 3.15Å; Y1088-S1126 WeakPolarHBondContact CD1-O 3.5Å |
| 1089 | A | 85.5 | Confident | 81 | Confident | 91 Ų | 91 | 59.6 Ų | 59.6 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 113.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1090 | L | 84.4 | Confident | 82.5 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | trans | -79.3 | 126.8 | 168.4 | -67.2 | 168.4 | 0 | 0 | 0 | 107.9 | G1065 V1067 D1093 L1095 F1121 P1128 | G1065-L1090 PolarHBondContact O-N 3.13Å; V1067-L1090 HydrophobicContact CG2-CD1 4.38Å; L1090-D1093 HydrophobicContact CB-CB 4.39Å; L1090-D1093 VanDerWaalsContact CB-O 3.27Å; L1090-D1093 WeakPolarHBondContact CB-O 3.45Å; L1090-L1095 HydrophobicContact CD1-CD2 3.8Å; L1090-L1095 HydrophobicContact CD1-CG 3.89Å; L1090-F1121 HydrophobicContact CD1-CZ 4.21Å; L1090-F1121 HydrophobicContact CD2-CE1 4.45Å; L1090-F1121 HydrophobicContact CD2-CZ 4.14Å; L1090-F1121 HydrophobicContact CG-CZ 4.34Å; L1090-P1128 HydrophobicContact CD2-CG 4.37Å | ||
| 1091 | R | 78.1 | Confident | 83.7 | Confident | 218 Ų | 218 | 55.1 Ų | 55.1 | 82% | 0.823 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -82.7 | 123 | -177.4 | -174.7 | -176.9 | 176.8 | -179.5 | 2.7 | 109.6 | D1093 | R1091-D1093 PolarHBondContact O-N 2.83Š|
| 1092 | D | 83.6 | Confident | 84.7 | Confident | 134 Ų | 134 | 55.6 Ų | 55.6 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 54.6 | 21.7 | 179.1 | -57 | -50.8 | 0 | 0 | 0 | 113.9 | H1115 | D1092-H1115 PolarHBondContact O-CE1 3.46Å; D1092-H1115 PolarHBondContact O-NE2 2.87Å |
| 1093 | D | 91.6 | Very high | 85.2 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | trans | -147.7 | 161.1 | -177.3 | -164.5 | 1.6 | 0 | 0 | 0 | 108.5 | G1065 L1090 R1091 S1113 H1114 H1115 N1117 | G1065-D1093 WeakPolarHBondContact CA-O 3.33Å; L1090-D1093 HydrophobicContact CB-CB 4.39Å; L1090-D1093 VanDerWaalsContact CB-O 3.27Å; L1090-D1093 WeakPolarHBondContact CB-O 3.45Å; R1091-D1093 PolarHBondContact O-N 2.83Å; D1093-S1113 VanDerWaalsContact CG-CB 3.49Å; D1093-S1113 VanDerWaalsContact CG-OG 3.31Å; D1093-S1113 WeakPolarHBondContact OD1-CB 3.47Å; D1093-S1113 PolarHBondContact OD1-OG 3.42Å; D1093-S1113 WeakPolarHBondContact OD2-CB 3.31Å; D1093-S1113 PolarHBondContact OD2-OG 2.95Å; D1093-H1114 PolarHBondContact OD1-N 3.39Å; D1093-H1114 VanDerWaalsContact OD1-N 3.14Å; D1093-H1115 IonicContact OD1-CD2 2.71Å; D1093-H1115 IonicContact OD1-CG 3.42Å; D1093-H1115 PolarHBondContact OD1-N 3.2Å; D1093-H1115 VanDerWaalsContact OD1-N 3.08Å; D1093-H1115 WeakPolarHBondContact OD2-CB 3.31Å; D1093-H1115 IonicContact OD2-CG 3.83Å; D1093-H1115 IonicContact OD2-ND1 2.76Å; D1093-N1117 PolarHBondContact OD2-ND2 2.63Å | ||
| 1094 | Y | 93.8 | Very high | 85.8 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | trans | -152.9 | 157.1 | -179.5 | 62.6 | -87.2 | 0 | 0 | 0 | 111.7 | T1049 S1062 I1096 S1113 H1114 | T1049-Y1094 HydrophobicContact CG2-CD2 3.93Å; T1049-Y1094 HydrophobicContact CG2-CE2 4.14Å; S1062-Y1094 VanDerWaalsContact O-CB 3.28Å; S1062-Y1094 WeakPolarHBondContact O-CB 3.47Å; Y1094-I1096 HydrophobicContact CD2-CG2 4.32Å; Y1094-I1096 HydrophobicContact CE2-CG2 3.85Å; Y1094-S1113 CarbonylContact O-C 3.46Å; Y1094-S1113 VanDerWaalsContact O-CA 3.26Å; Y1094-S1113 WeakPolarHBondContact O-CA 3.44Å; Y1094-H1114 HydrophobicContact CD1-CB 3.89Å; Y1094-H1114 HydrophobicContact CD2-CB 4.25Å; Y1094-H1114 HydrophobicContact CE1-CB 3.56Å; Y1094-H1114 AromaticContact CE1-CD2 3.91Å; Y1094-H1114 AromaticContact CE1-CG 3.5Å; Y1094-H1114 VanDerWaalsContact CE1-CG 3.5Å; Y1094-H1114 AromaticContact CE1-ND1 3.88Å; Y1094-H1114 HydrophobicContact CE2-CB 3.98Å; Y1094-H1114 HydrophobicContact CG-CB 4.21Å; Y1094-H1114 AromaticContact CZ-CD2 3.53Å; Y1094-H1114 AromaticContact CZ-CG 3.54Å; Y1094-H1114 PolarHBondContact O-N 3.23Å; Y1094-H1114 PolarHBondContact OH-CD2 3.48Å; Y1094-H1114 PolarHBondContact OH-NE2 3.24Å | ||
| 1095 | L | 95.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 130 | 177.7 | -61.4 | -176.9 | 0 | 0 | 0 | 111.3 | T1049 V1067 L1090 F1098 L1112 C1119 F1121 | T1049-L1095 WeakPolarHBondContact CB-O 3.49Å; T1049-L1095 PolarHBondContact OG1-O 3.18Å; V1067-L1095 HydrophobicContact CG1-CD1 4.13Å; V1067-L1095 HydrophobicContact CG2-CD1 3.59Å; V1067-L1095 HydrophobicContact CG2-CG 3.93Å; L1090-L1095 HydrophobicContact CD1-CD2 3.8Å; L1090-L1095 HydrophobicContact CD1-CG 3.89Å; L1095-F1098 HydrophobicContact CB-CD1 4.37Å; L1095-F1098 HydrophobicContact CD1-CB 4.3Å; L1095-F1098 HydrophobicContact CD1-CD1 4.16Å; L1095-F1098 HydrophobicContact CD1-CG 4.4Å; L1095-L1112 WeakPolarHBondContact CA-O 3.34Å; L1095-C1119 VanDerWaalsContact CD2-SG 3.56Å; L1095-F1121 HydrophobicContact CD1-CE2 3.84Å; L1095-F1121 HydrophobicContact CD1-CZ 4.27Å; L1095-F1121 HydrophobicContact CD2-CE2 4.17Å; L1095-F1121 HydrophobicContact CD2-CZ 4.4Å; L1095-F1121 HydrophobicContact CG-CE2 4.49Å |
| 1096 | I | 94.2 | Very high | 86.6 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -29.5 | 172.5 | 59.7 | 160.3 | 0 | 0 | 0 | 112.2 | Y1094 L1112 H1114 V1141 | Y1094-I1096 HydrophobicContact CD2-CG2 4.32Å; Y1094-I1096 HydrophobicContact CE2-CG2 3.85Å; I1096-L1112 HydrophobicContact CD1-CD2 3.85Å; I1096-L1112 HydrophobicContact CD1-CG 4.04Å; I1096-L1112 HydrophobicContact CG1-CB 4.28Å; I1096-L1112 HydrophobicContact CG1-CD2 4.2Å; I1096-L1112 HydrophobicContact CG1-CG 4.01Å; I1096-L1112 VanDerWaalsContact CG1-O 3.3Å; I1096-L1112 WeakPolarHBondContact CG1-O 3.19Å; I1096-L1112 PolarHBondContact N-O 3.14Å; I1096-H1114 HydrophobicContact CG2-CB 3.91Å; I1096-V1141 HydrophobicContact CD1-CB 4.33Å; I1096-V1141 HydrophobicContact CD1-CG2 3.74Å; I1096-V1141 WeakPolarHBondContact CD1-O 3.31Å |
| 1097 | D | 94.9 | Very high | 87 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 148.6 | 179.9 | -143.7 | 10.7 | 0 | 0 | 0 | 109.4 | R1001 G1111 L1112 L1144 | R1001-D1097 IonicContact CZ-OD1 3.08Å; R1001-D1097 IonicContact NE-OD1 2.88Å; R1001-D1097 IonicContact NH2-OD1 2.71Å; R1001-D1097 PolarHBondContact NH2-OD1 3.29Å; R1001-D1097 VanDerWaalsContact NH2-OD1 3.09Å; R1001-D1097 IonicContact NH2-OD2 3.34Å; R1001-D1097 PolarHBondContact NH2-OD2 2.77Å; D1097-G1111 WeakPolarHBondContact O-CA 3.27Å; D1097-L1112 PolarHBondContact O-N 3.19Å; D1097-L1144 HydrophobicContact CB-CB 3.97Å; D1097-L1144 PolarHBondContact OD2-N 2.9Å; D1097-L1144 VanDerWaalsContact OD2-N 3.14Å |
| 1098 | F | 95.8 | Very high | 87.2 | Confident | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 161.5 | 179.3 | 61.6 | -90.4 | 0 | 0 | 0 | 112.3 | D1052 V1059 S1061 L1095 V1109 V1110 | D1052-F1098 HydrophobicContact CB-CD2 4.14Å; D1052-F1098 HydrophobicContact CB-CE2 3.56Å; D1052-F1098 HydrophobicContact CB-CZ 4.41Å; V1059-F1098 HydrophobicContact CB-CE2 3.86Å; V1059-F1098 HydrophobicContact CG1-CD2 4.05Å; V1059-F1098 HydrophobicContact CG1-CE2 3.49Å; V1059-F1098 VanDerWaalsContact CG1-CE2 3.49Å; V1059-F1098 HydrophobicContact CG1-CZ 4.04Å; S1061-F1098 VanDerWaalsContact OG-CE1 3.26Å; S1061-F1098 WeakPolarHBondContact OG-CE1 3.37Å; L1095-F1098 HydrophobicContact CB-CD1 4.37Å; L1095-F1098 HydrophobicContact CD1-CB 4.3Å; L1095-F1098 HydrophobicContact CD1-CD1 4.16Å; L1095-F1098 HydrophobicContact CD1-CG 4.4Å; F1098-V1109 HydrophobicContact CB-CG1 4.04Å; F1098-V1109 HydrophobicContact CD2-CG1 3.79Å; F1098-V1109 HydrophobicContact CG-CG1 4.21Å; F1098-V1110 CarbonylContact C-O 3.58Å; F1098-V1110 VanDerWaalsContact CA-O 3.22Å; F1098-V1110 WeakPolarHBondContact CA-O 3.4Å; F1098-V1110 WeakPolarHBondContact CB-O 3.44Å |
| 1099 | Y | 93.8 | Very high | 87.5 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.7 | 175.4 | -179.6 | -107.9 | 0 | 0 | 0 | 110.8 | V1109 V1110 V1146 Q1148 N1151 | Y1099-V1109 WeakPolarHBondContact O-CA 3.2Å; Y1099-V1110 PolarHBondContact N-O 2.99Å; Y1099-V1110 PolarHBondContact O-N 2.54Å; Y1099-V1146 HydrophobicContact CD1-CB 3.76Å; Y1099-V1146 HydrophobicContact CD1-CG1 3.81Å; Y1099-V1146 HydrophobicContact CD1-CG2 4.47Å; Y1099-V1146 HydrophobicContact CE1-CG1 4.45Å; Y1099-V1146 HydrophobicContact CG-CB 4.03Å; Y1099-V1146 HydrophobicContact CG-CG2 4.48Å; Y1099-Q1148 HydrophobicContact CE2-CG 4.06Å; Y1099-N1151 WeakPolarHBondContact CE1-OD1 3.31Å |
| 1100 | S | 92.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.8 | -176.6 | -50.3 | 0 | 0 | 0 | 0 | 110.6 | D1052 V1059 | D1052-S1100 WeakPolarHBondContact OD2-CA 3.48Å; D1052-S1100 VanDerWaalsContact OD2-CB 3.24Å; D1052-S1100 WeakPolarHBondContact OD2-CB 3.32Å; D1052-S1100 PolarHBondContact OD2-N 3.49Å; D1052-S1100 PolarHBondContact OD2-OG 3.08Å; V1059-S1100 WeakPolarHBondContact CG2-OG 3.46Å |
| 1101 | S | 89.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 163.8 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | V1108 N1151 | S1101-V1108 PolarHBondContact N-O 3.47Å; S1101-V1108 PolarHBondContact O-N 2.83Å; S1101-V1108 VanDerWaalsContact O-O 3.07Å; S1101-N1151 WeakPolarHBondContact CB-ND2 3.4Å; S1101-N1151 VanDerWaalsContact OG-CG 3.25Å; S1101-N1151 PolarHBondContact OG-ND2 3.36Å; S1101-N1151 PolarHBondContact OG-OD1 3.11Å |
| 1102 | F | 84.2 | Confident | 89.3 | Confident | 56 Ų | 56 | 36.1 Ų | 36.1 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.1 | 174.4 | -82.5 | -92 | 0 | 0 | 0 | 111.4 | A1054 D1055 F1057 H1106 L1107 | A1054-F1102 HydrophobicContact CB-CD2 4.03Å; A1054-F1102 HydrophobicContact CB-CE2 3.89Å; A1054-F1102 WeakPolarHBondContact O-CE2 3.25Å; D1055-F1102 HydrophobicContact CB-CE2 4.11Å; D1055-F1102 WeakPolarHBondContact OD2-CD2 3.4Å; F1057-F1102 HydrophobicContact CD2-CE2 4.15Å; F1057-F1102 AromaticContact CD2-CZ 3.5Å; F1057-F1102 HydrophobicContact CD2-CZ 3.5Å; F1057-F1102 VanDerWaalsContact CD2-CZ 3.5Å; F1057-F1102 HydrophobicContact CE2-CE1 4.47Å; F1057-F1102 AromaticContact CE2-CZ 3.79Å; F1057-F1102 HydrophobicContact CE2-CZ 3.79Å; F1057-F1102 HydrophobicContact CG-CZ 4.27Å; F1102-H1106 CarbonylContact C-O 3.44Å; F1102-H1106 WeakPolarHBondContact CA-O 3.41Å; F1102-L1107 HydrophobicContact CD2-CD1 4.4Å; F1102-L1107 HydrophobicContact CE1-CB 4.02Å; F1102-L1107 HydrophobicContact CE2-CB 4.46Å; F1102-L1107 HydrophobicContact CE2-CD1 3.97Å; F1102-L1107 HydrophobicContact CZ-CB 3.93Å; F1102-L1107 HydrophobicContact CZ-CD1 4.26Å |
| 1103 | K | 77.5 | Confident | 89.8 | Confident | 96 Ų | 96 | 29.8 Ų | 29.8 | 42% | 0.417 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 96.1 | 163 | -75.8 | -169.3 | 175.7 | -179.5 | 0 | 108.2 | S1105 H1106 V1108 N1151 | K1103-S1105 PolarHBondContact O-N 3.38Å; K1103-H1106 PolarHBondContact N-O 2.95Å; K1103-H1106 PolarHBondContact O-N 3.29Å; K1103-V1108 HydrophobicContact CB-CG2 4.19Å; K1103-V1108 HydrophobicContact CD-CG2 4.42Å; K1103-V1108 HydrophobicContact CG-CG2 4.32Å; K1103-N1151 PolarHBondContact NZ-O 3.07Å |
| 1104 | G | 75.4 | Confident | 89.9 | Confident | 74 Ų | 74 | 33.1 Ų | 33.1 | 76% | 0.763 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -121 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1105 | S | 75.4 | Confident | 89.8 | Confident | 95 Ų | 95 | 34.7 Ų | 34.7 | 66% | 0.664 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 10.1 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 114 | K1103 | K1103-S1105 PolarHBondContact O-N 3.38Š|
| 1106 | H | 79.4 | Confident | 89.6 | Confident | 60 Ų | 60 | 34.9 Ų | 34.9 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.4 | -171.4 | -53.7 | -41.4 | 0 | 0 | 0 | 111.8 | F1102 K1103 V1108 R1124 | F1102-H1106 CarbonylContact C-O 3.44Å; F1102-H1106 WeakPolarHBondContact CA-O 3.41Å; K1103-H1106 PolarHBondContact N-O 2.95Å; K1103-H1106 PolarHBondContact O-N 3.29Å; H1106-V1108 PolarHBondContact O-N 3.49Å; H1106-R1124 VanDerWaalsContact CD2-CZ 3.45Å; H1106-R1124 PolarHBondContact CD2-NH1 3.42Å; H1106-R1124 VanDerWaalsContact CD2-NH1 3.28Å; H1106-R1124 WeakPolarHBondContact ND1-CD 3.42Å; H1106-R1124 PolarHBondContact NE2-NH1 2.72Å |
| 1107 | L | 89 | Confident | 89.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.1 | 172 | 177.8 | 67.9 | 0 | 0 | 0 | 109.2 | A1054 F1057 V1059 F1069 F1102 V1109 S1123 | A1054-L1107 HydrophobicContact CB-CD1 3.74Å; F1057-L1107 HydrophobicContact CB-CD2 3.83Å; F1057-L1107 HydrophobicContact CD1-CD2 4.06Å; F1057-L1107 HydrophobicContact CG-CD2 4.09Å; V1059-L1107 HydrophobicContact CG2-CD2 3.92Å; F1069-L1107 HydrophobicContact CD2-CD2 3.92Å; F1069-L1107 HydrophobicContact CE2-CD2 4.27Å; F1069-L1107 HydrophobicContact CG-CD2 4.28Å; F1102-L1107 HydrophobicContact CD2-CD1 4.4Å; F1102-L1107 HydrophobicContact CE1-CB 4.02Å; F1102-L1107 HydrophobicContact CE2-CB 4.46Å; F1102-L1107 HydrophobicContact CE2-CD1 3.97Å; F1102-L1107 HydrophobicContact CZ-CB 3.93Å; F1102-L1107 HydrophobicContact CZ-CD1 4.26Å; L1107-V1109 HydrophobicContact CG-CG2 4.37Å; L1107-S1123 PolarHBondContact N-OG 3.25Å; L1107-S1123 WeakPolarHBondContact O-CB 3.39Å; L1107-S1123 PolarHBondContact O-N 2.8Å; L1107-S1123 PolarHBondContact O-OG 3.39Å; L1107-S1123 VanDerWaalsContact O-OG 3.04Å |
| 1108 | V | 90.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.4 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | S1101 K1103 H1106 C1120 F1121 | S1101-V1108 PolarHBondContact N-O 3.47Å; S1101-V1108 PolarHBondContact O-N 2.83Å; S1101-V1108 VanDerWaalsContact O-O 3.07Å; K1103-V1108 HydrophobicContact CB-CG2 4.19Å; K1103-V1108 HydrophobicContact CD-CG2 4.42Å; K1103-V1108 HydrophobicContact CG-CG2 4.32Å; H1106-V1108 PolarHBondContact O-N 3.49Å; V1108-C1120 WeakPolarHBondContact CG1-SG 3.25Å; V1108-F1121 CarbonylContact C-O 3.56Å; V1108-F1121 WeakPolarHBondContact CA-O 3.31Å |
| 1109 | V | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120 | 179 | -177 | 0 | 0 | 0 | 0 | 108.6 | V1059 F1069 F1098 Y1099 L1107 C1120 F1121 | V1059-V1109 HydrophobicContact CB-CG2 4.47Å; V1059-V1109 HydrophobicContact CG1-CG1 4.16Å; V1059-V1109 HydrophobicContact CG1-CG2 4.04Å; V1059-V1109 HydrophobicContact CG2-CG2 3.8Å; F1069-V1109 HydrophobicContact CE1-CG2 3.8Å; F1069-V1109 HydrophobicContact CE2-CG2 4.24Å; F1069-V1109 HydrophobicContact CZ-CB 4.16Å; F1069-V1109 HydrophobicContact CZ-CG2 3.52Å; F1098-V1109 HydrophobicContact CB-CG1 4.04Å; F1098-V1109 HydrophobicContact CD2-CG1 3.79Å; F1098-V1109 HydrophobicContact CG-CG1 4.21Å; Y1099-V1109 WeakPolarHBondContact O-CA 3.2Å; L1107-V1109 HydrophobicContact CG-CG2 4.37Å; V1109-C1120 CarbonylContact O-C 3.5Å; V1109-C1120 VanDerWaalsContact O-CA 3.26Å; V1109-C1120 WeakPolarHBondContact O-CA 3.45Å; V1109-F1121 HydrophobicContact CB-CB 4.23Å; V1109-F1121 HydrophobicContact CB-CD2 4.38Å; V1109-F1121 HydrophobicContact CG1-CD2 4.48Å; V1109-F1121 PolarHBondContact N-O 3.12Å; V1109-F1121 PolarHBondContact O-N 3.22Å |
| 1110 | V | 94.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.4 | 172.3 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | F1098 Y1099 V1118 C1119 W1130 L1144 V1146 L1168 | F1098-V1110 CarbonylContact C-O 3.58Å; F1098-V1110 VanDerWaalsContact CA-O 3.22Å; F1098-V1110 WeakPolarHBondContact CA-O 3.4Å; F1098-V1110 WeakPolarHBondContact CB-O 3.44Å; Y1099-V1110 PolarHBondContact N-O 2.99Å; Y1099-V1110 PolarHBondContact O-N 2.54Å; V1110-V1118 HydrophobicContact CG1-CG1 4.33Å; V1110-C1119 CarbonylContact C-O 3.58Å; V1110-C1119 WeakPolarHBondContact CA-O 3.39Å; V1110-W1130 HydrophobicContact CG1-CH2 4.41Å; V1110-L1144 HydrophobicContact CG1-CD2 4.41Å; V1110-V1146 HydrophobicContact CB-CG2 4.15Å; V1110-V1146 HydrophobicContact CG1-CG2 4.12Å; V1110-L1168 HydrophobicContact CG1-CD2 4.03Å; V1110-L1168 HydrophobicContact CG2-CD1 4.27Å |
| 1111 | G | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1097 C1119 | D1097-G1111 WeakPolarHBondContact O-CA 3.27Å; G1111-C1119 PolarHBondContact N-O 3.08Å; G1111-C1119 PolarHBondContact O-N 3.38Å; G1111-C1119 PolarHBondContact O-SG 3.47Å; G1111-C1119 VanDerWaalsContact O-SG 3.4Å |
| 1112 | L | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.6 | 173.2 | 179.3 | 63.1 | 0 | 0 | 0 | 108.3 | L1095 I1096 D1097 N1117 V1118 V1141 C1143 L1144 V1156 | L1095-L1112 WeakPolarHBondContact CA-O 3.34Å; I1096-L1112 HydrophobicContact CD1-CD2 3.85Å; I1096-L1112 HydrophobicContact CD1-CG 4.04Å; I1096-L1112 HydrophobicContact CG1-CB 4.28Å; I1096-L1112 HydrophobicContact CG1-CD2 4.2Å; I1096-L1112 HydrophobicContact CG1-CG 4.01Å; I1096-L1112 VanDerWaalsContact CG1-O 3.3Å; I1096-L1112 WeakPolarHBondContact CG1-O 3.19Å; I1096-L1112 PolarHBondContact N-O 3.14Å; D1097-L1112 PolarHBondContact O-N 3.19Å; L1112-N1117 WeakPolarHBondContact CA-O 3.36Å; L1112-V1118 HydrophobicContact CD1-CG2 4.18Å; L1112-V1141 HydrophobicContact CD1-CB 4.2Å; L1112-V1141 HydrophobicContact CD1-CG1 4.22Å; L1112-V1141 HydrophobicContact CD1-CG2 4.14Å; L1112-V1141 HydrophobicContact CD2-CB 4.04Å; L1112-V1141 HydrophobicContact CD2-CG2 4.29Å; L1112-V1141 HydrophobicContact CG-CB 4.29Å; L1112-V1141 HydrophobicContact CG-CG2 4.09Å; L1112-C1143 VanDerWaalsContact CD2-O 3.3Å; L1112-C1143 WeakPolarHBondContact CD2-O 3.39Å; L1112-L1144 HydrophobicContact CB-CB 3.88Å; L1112-L1144 HydrophobicContact CB-CD1 4.24Å; L1112-L1144 HydrophobicContact CB-CD2 4.07Å; L1112-L1144 HydrophobicContact CB-CG 4.28Å; L1112-L1144 HydrophobicContact CD2-CB 3.91Å; L1112-V1156 HydrophobicContact CD1-CG1 4.14Å; L1112-V1156 HydrophobicContact CD1-CG2 4.05Å; L1112-V1156 HydrophobicContact CD2-CG1 3.93Å; L1112-V1156 HydrophobicContact CD2-CG2 4.41Å |
| 1113 | S | 95 | Very high | 89.3 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 158.3 | -179.8 | 90.6 | 0 | 0 | 0 | 0 | 112 | D1093 Y1094 H1115 G1116 N1117 V1141 | D1093-S1113 VanDerWaalsContact CG-CB 3.49Å; D1093-S1113 VanDerWaalsContact CG-OG 3.31Å; D1093-S1113 WeakPolarHBondContact OD1-CB 3.47Å; D1093-S1113 PolarHBondContact OD1-OG 3.42Å; D1093-S1113 WeakPolarHBondContact OD2-CB 3.31Å; D1093-S1113 PolarHBondContact OD2-OG 2.95Å; Y1094-S1113 CarbonylContact O-C 3.46Å; Y1094-S1113 VanDerWaalsContact O-CA 3.26Å; Y1094-S1113 WeakPolarHBondContact O-CA 3.44Å; S1113-H1115 PolarHBondContact O-N 3.2Å; S1113-H1115 PolarHBondContact OG-N 3.17Å; S1113-G1116 WeakPolarHBondContact O-CA 3.37Å; S1113-G1116 PolarHBondContact O-N 2.72Å; S1113-N1117 PolarHBondContact N-O 3.42Å; S1113-N1117 WeakPolarHBondContact OG-CB 3.49Å; S1113-N1117 PolarHBondContact OG-N 3.47Å; S1113-V1141 WeakPolarHBondContact O-CG2 3.39Å |
| 1114 | H | 93.8 | Very high | 89.5 | Confident | 83 Ų | 83 | 32.2 Ų | 32.2 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33 | 176 | 174.3 | -100.5 | 0 | 0 | 0 | 112 | D1093 Y1094 I1096 G1116 | D1093-H1114 PolarHBondContact OD1-N 3.39Å; D1093-H1114 VanDerWaalsContact OD1-N 3.14Å; Y1094-H1114 HydrophobicContact CD1-CB 3.89Å; Y1094-H1114 HydrophobicContact CD2-CB 4.25Å; Y1094-H1114 HydrophobicContact CE1-CB 3.56Å; Y1094-H1114 AromaticContact CE1-CD2 3.91Å; Y1094-H1114 AromaticContact CE1-CG 3.5Å; Y1094-H1114 VanDerWaalsContact CE1-CG 3.5Å; Y1094-H1114 AromaticContact CE1-ND1 3.88Å; Y1094-H1114 HydrophobicContact CE2-CB 3.98Å; Y1094-H1114 HydrophobicContact CG-CB 4.21Å; Y1094-H1114 AromaticContact CZ-CD2 3.53Å; Y1094-H1114 AromaticContact CZ-CG 3.54Å; Y1094-H1114 PolarHBondContact O-N 3.23Å; Y1094-H1114 PolarHBondContact OH-CD2 3.48Å; Y1094-H1114 PolarHBondContact OH-NE2 3.24Å; I1096-H1114 HydrophobicContact CG2-CB 3.91Å; H1114-G1116 PolarHBondContact O-N 2.89Å |
| 1115 | H | 91.7 | Very high | 89.9 | Confident | 95 Ų | 95 | 32.4 Ų | 32.4 | 44% | 0.44 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 6.1 | 173.1 | -64.2 | 174.5 | 0 | 0 | 0 | 114 | D1092 D1093 S1113 Y1136 | D1092-H1115 PolarHBondContact O-CE1 3.46Å; D1092-H1115 PolarHBondContact O-NE2 2.87Å; D1093-H1115 IonicContact OD1-CD2 2.71Å; D1093-H1115 IonicContact OD1-CG 3.42Å; D1093-H1115 PolarHBondContact OD1-N 3.2Å; D1093-H1115 VanDerWaalsContact OD1-N 3.08Å; D1093-H1115 WeakPolarHBondContact OD2-CB 3.31Å; D1093-H1115 IonicContact OD2-CG 3.83Å; D1093-H1115 IonicContact OD2-ND1 2.76Å; S1113-H1115 PolarHBondContact O-N 3.2Å; S1113-H1115 PolarHBondContact OG-N 3.17Å; H1115-Y1136 WeakPolarHBondContact O-CE1 3.24Å |
| 1116 | G | 91.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 84.7 | 14.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1113 H1114 N1134 | S1113-G1116 WeakPolarHBondContact O-CA 3.37Å; S1113-G1116 PolarHBondContact O-N 2.72Å; H1114-G1116 PolarHBondContact O-N 2.89Å; G1116-N1134 WeakPolarHBondContact O-CA 3.38Å; G1116-N1134 WeakPolarHBondContact O-CB 3.5Å; G1116-N1134 PolarHBondContact O-N 2.71Å |
| 1117 | N | 93.2 | Very high | 90.3 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.3 | 175.5 | -62.8 | -53.7 | 0 | 0 | 0 | 111 | D1093 L1112 S1113 Y1132 P1133 | D1093-N1117 PolarHBondContact OD2-ND2 2.63Å; L1112-N1117 WeakPolarHBondContact CA-O 3.36Å; S1113-N1117 PolarHBondContact N-O 3.42Å; S1113-N1117 WeakPolarHBondContact OG-CB 3.49Å; S1113-N1117 PolarHBondContact OG-N 3.47Å; N1117-Y1132 CarbonylContact C-O 3.56Å; N1117-Y1132 WeakPolarHBondContact CA-O 3.21Å; N1117-P1133 VanDerWaalsContact OD1-CA 3.25Å; N1117-P1133 WeakPolarHBondContact OD1-CA 3.25Å |
| 1118 | V | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.5 | 164.2 | -172 | 0 | 0 | 0 | 0 | 107.1 | V1110 L1112 W1130 S1131 Y1132 V1156 W1166 | V1110-V1118 HydrophobicContact CG1-CG1 4.33Å; L1112-V1118 HydrophobicContact CD1-CG2 4.18Å; V1118-W1130 HydrophobicContact CG1-CH2 4.36Å; V1118-W1130 HydrophobicContact CG1-CZ3 4.05Å; V1118-W1130 WeakPolarHBondContact O-CZ3 3.31Å; V1118-S1131 WeakPolarHBondContact O-CA 3.18Å; V1118-Y1132 PolarHBondContact N-O 3.15Å; V1118-Y1132 PolarHBondContact O-N 3.28Å; V1118-V1156 HydrophobicContact CG2-CG2 3.83Å; V1118-W1166 HydrophobicContact CG2-CD2 4.33Å; V1118-W1166 HydrophobicContact CG2-CG 4.44Å; V1118-W1166 HydrophobicContact CG2-CZ2 4.41Å |
| 1119 | C | 92 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.5 | -174.7 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | L1095 V1110 G1111 F1121 W1130 | L1095-C1119 VanDerWaalsContact CD2-SG 3.56Å; V1110-C1119 CarbonylContact C-O 3.58Å; V1110-C1119 WeakPolarHBondContact CA-O 3.39Å; G1111-C1119 PolarHBondContact N-O 3.08Å; G1111-C1119 PolarHBondContact O-N 3.38Å; G1111-C1119 PolarHBondContact O-SG 3.47Å; G1111-C1119 VanDerWaalsContact O-SG 3.4Å; C1119-F1121 HydrophobicContact CB-CE2 4.33Å; C1119-F1121 VanDerWaalsContact SG-CE2 3.53Å; C1119-W1130 CarbonylContact C-O 3.55Å; C1119-W1130 VanDerWaalsContact CA-O 3.29Å; C1119-W1130 WeakPolarHBondContact CA-O 3.29Å |
| 1120 | C | 92.6 | Very high | 90 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.9 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | V1108 V1109 P1128 A1129 W1130 | V1108-C1120 WeakPolarHBondContact CG1-SG 3.25Å; V1109-C1120 CarbonylContact O-C 3.5Å; V1109-C1120 VanDerWaalsContact O-CA 3.26Å; V1109-C1120 WeakPolarHBondContact O-CA 3.45Å; C1120-P1128 CarbonylContact O-C 3.57Å; C1120-P1128 WeakPolarHBondContact O-CA 3.16Å; C1120-A1129 PolarHBondContact O-N 3.21Å; C1120-W1130 HydrophobicContact CB-CD2 3.44Å; C1120-W1130 VanDerWaalsContact CB-CD2 3.44Å; C1120-W1130 HydrophobicContact CB-CE3 3.83Å; C1120-W1130 HydrophobicContact CB-CG 4.07Å; C1120-W1130 HydrophobicContact CB-CH2 3.59Å; C1120-W1130 HydrophobicContact CB-CZ2 3.2Å; C1120-W1130 HydrophobicContact CB-CZ3 3.89Å; C1120-W1130 PolarHBondContact N-O 2.79Å |
| 1121 | F | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.4 | 178.9 | -54.6 | -97.2 | 0 | 0 | 0 | 108.6 | V1067 F1069 Y1088 L1090 L1095 V1108 V1109 C1119 P1128 | V1067-F1121 HydrophobicContact CG2-CZ 4.29Å; F1069-F1121 HydrophobicContact CZ-CB 3.77Å; Y1088-F1121 AromaticContact CD1-CD1 3.83Å; Y1088-F1121 HydrophobicContact CD1-CD1 3.83Å; Y1088-F1121 HydrophobicContact CD1-CE1 4.41Å; Y1088-F1121 AromaticContact CD2-CD1 3.89Å; Y1088-F1121 HydrophobicContact CD2-CD1 3.89Å; Y1088-F1121 HydrophobicContact CE1-CD1 4.27Å; Y1088-F1121 HydrophobicContact CE2-CB 4.38Å; Y1088-F1121 HydrophobicContact CE2-CD1 4.38Å; Y1088-F1121 AromaticContact CG-CD1 3.62Å; Y1088-F1121 HydrophobicContact CG-CD1 3.62Å; Y1088-F1121 HydrophobicContact CG-CE1 4.05Å; L1090-F1121 HydrophobicContact CD1-CZ 4.21Å; L1090-F1121 HydrophobicContact CD2-CE1 4.45Å; L1090-F1121 HydrophobicContact CD2-CZ 4.14Å; L1090-F1121 HydrophobicContact CG-CZ 4.34Å; L1095-F1121 HydrophobicContact CD1-CE2 3.84Å; L1095-F1121 HydrophobicContact CD1-CZ 4.27Å; L1095-F1121 HydrophobicContact CD2-CE2 4.17Å; L1095-F1121 HydrophobicContact CD2-CZ 4.4Å; L1095-F1121 HydrophobicContact CG-CE2 4.49Å; V1108-F1121 CarbonylContact C-O 3.56Å; V1108-F1121 WeakPolarHBondContact CA-O 3.31Å; V1109-F1121 HydrophobicContact CB-CB 4.23Å; V1109-F1121 HydrophobicContact CB-CD2 4.38Å; V1109-F1121 HydrophobicContact CG1-CD2 4.48Å; V1109-F1121 PolarHBondContact N-O 3.12Å; V1109-F1121 PolarHBondContact O-N 3.22Å; C1119-F1121 HydrophobicContact CB-CE2 4.33Å; C1119-F1121 VanDerWaalsContact SG-CE2 3.53Å; F1121-P1128 HydrophobicContact CD1-CB 4.21Å; F1121-P1128 HydrophobicContact CD1-CG 4.13Å; F1121-P1128 HydrophobicContact CE1-CB 4.1Å; F1121-P1128 HydrophobicContact CE1-CG 3.67Å; F1121-P1128 HydrophobicContact CZ-CG 4.33Å |
| 1122 | D | 87.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 45 Ų | 45 | 10% | 0.096 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 125.2 | 173.1 | -174.5 | -44.8 | 0 | 0 | 0 | 107.9 | Y1088 R1124 M1125 A1129 | Y1088-D1122 PolarHBondContact OH-O 3.11Å; D1122-R1124 PolarHBondContact O-N 3.13Å; D1122-R1124 WeakPolarHBondContact OD1-CB 3.35Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.44Å; D1122-R1124 IonicContact OD1-CZ 2.94Å; D1122-R1124 PolarHBondContact OD1-N 2.87Å; D1122-R1124 IonicContact OD1-NE 2.85Å; D1122-R1124 PolarHBondContact OD1-NE 2.85Å; D1122-R1124 IonicContact OD1-NH2 3.28Å; D1122-R1124 IonicContact OD2-CZ 3.58Å; D1122-R1124 IonicContact OD2-NE 3.17Å; D1122-R1124 PolarHBondContact OD2-NE 3.14Å; D1122-R1124 IonicContact OD2-NH2 3.6Å; D1122-R1124 PolarHBondContact OD2-NH2 3.15Å; D1122-M1125 HydrophobicContact CB-CB 4.49Å; D1122-M1125 HydrophobicContact CB-CG 4.12Å; D1122-M1125 HydrophobicContact CB-SD 4.19Å; D1122-M1125 PolarHBondContact O-N 3.32Å; D1122-A1129 HydrophobicContact CB-CB 4.35Å |
| 1123 | S | 86.1 | Confident | 89.6 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -8.5 | 178.9 | 56.1 | 0 | 0 | 0 | 0 | 115.5 | N1086 L1107 | N1086-S1123 PolarHBondContact ND2-O 3.5Å; L1107-S1123 PolarHBondContact N-OG 3.25Å; L1107-S1123 WeakPolarHBondContact O-CB 3.39Å; L1107-S1123 PolarHBondContact O-N 2.8Å; L1107-S1123 PolarHBondContact O-OG 3.39Å; L1107-S1123 VanDerWaalsContact O-OG 3.04Å |
| 1124 | R | 83.1 | Confident | 89.4 | Confident | 160 Ų | 160 | 48.2 Ų | 48.2 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -13.2 | 174.9 | -58.7 | 171.6 | -67.8 | 165.2 | 11.8 | 113.2 | H1106 D1122 | H1106-R1124 VanDerWaalsContact CD2-CZ 3.45Å; H1106-R1124 PolarHBondContact CD2-NH1 3.42Å; H1106-R1124 VanDerWaalsContact CD2-NH1 3.28Å; H1106-R1124 WeakPolarHBondContact ND1-CD 3.42Å; H1106-R1124 PolarHBondContact NE2-NH1 2.72Å; D1122-R1124 PolarHBondContact O-N 3.13Å; D1122-R1124 WeakPolarHBondContact OD1-CB 3.35Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.44Å; D1122-R1124 IonicContact OD1-CZ 2.94Å; D1122-R1124 PolarHBondContact OD1-N 2.87Å; D1122-R1124 IonicContact OD1-NE 2.85Å; D1122-R1124 PolarHBondContact OD1-NE 2.85Å; D1122-R1124 IonicContact OD1-NH2 3.28Å; D1122-R1124 IonicContact OD2-CZ 3.58Å; D1122-R1124 IonicContact OD2-NE 3.17Å; D1122-R1124 PolarHBondContact OD2-NE 3.14Å; D1122-R1124 IonicContact OD2-NH2 3.6Å; D1122-R1124 PolarHBondContact OD2-NH2 3.15Å |
| 1125 | M | 83.7 | Confident | 89.1 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 39% | 0.389 | 25% | 0.252 | S | S | . | . | trans | -104.7 | 151.5 | -175.8 | -60.3 | -174.9 | 68.3 | 0 | 0 | 110.3 | Y1088 D1122 A1129 | Y1088-M1125 WeakPolarHBondContact CE1-O 3.41Å; Y1088-M1125 VanDerWaalsContact CZ-O 3.23Å; Y1088-M1125 PolarHBondContact OH-O 3.15Å; D1122-M1125 HydrophobicContact CB-CB 4.49Å; D1122-M1125 HydrophobicContact CB-CG 4.12Å; D1122-M1125 HydrophobicContact CB-SD 4.19Å; D1122-M1125 PolarHBondContact O-N 3.32Å; M1125-A1129 HydrophobicContact SD-CB 3.87Å | ||
| 1126 | S | 79.7 | Confident | 88.7 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 79% | 0.79 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -90.8 | -10.4 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | Y1088 | Y1088-S1126 WeakPolarHBondContact CD1-O 3.5Š|
| 1127 | S | 83.1 | Confident | 88.6 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -122.3 | 163.5 | 175.6 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | A1129 | S1127-A1129 PolarHBondContact O-N 3.4Š|
| 1128 | P | 86.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | trans | -50.2 | 135.6 | 165.3 | -20 | 29.2 | 0 | 0 | 0 | 109.8 | L1090 C1120 F1121 W1130 | L1090-P1128 HydrophobicContact CD2-CG 4.37Å; C1120-P1128 CarbonylContact O-C 3.57Å; C1120-P1128 WeakPolarHBondContact O-CA 3.16Å; F1121-P1128 HydrophobicContact CD1-CB 4.21Å; F1121-P1128 HydrophobicContact CD1-CG 4.13Å; F1121-P1128 HydrophobicContact CE1-CB 4.1Å; F1121-P1128 HydrophobicContact CE1-CG 3.67Å; F1121-P1128 HydrophobicContact CZ-CG 4.33Å; P1128-W1130 VanDerWaalsContact C-N 3.27Å | ||
| 1129 | A | 88.2 | Confident | 88.1 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -63.7 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C1120 D1122 M1125 S1127 | C1120-A1129 PolarHBondContact O-N 3.21Å; D1122-A1129 HydrophobicContact CB-CB 4.35Å; M1125-A1129 HydrophobicContact SD-CB 3.87Å; S1127-A1129 PolarHBondContact O-N 3.4Å |
| 1130 | W | 91.5 | Very high | 88.1 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 16% | 0.159 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 160.2 | 171.9 | 47.3 | -99.1 | 0 | 0 | 0 | 110.6 | V1110 V1118 C1119 C1120 P1128 Y1132 L1168 Q1171 | V1110-W1130 HydrophobicContact CG1-CH2 4.41Å; V1118-W1130 HydrophobicContact CG1-CH2 4.36Å; V1118-W1130 HydrophobicContact CG1-CZ3 4.05Å; V1118-W1130 WeakPolarHBondContact O-CZ3 3.31Å; C1119-W1130 CarbonylContact C-O 3.55Å; C1119-W1130 VanDerWaalsContact CA-O 3.29Å; C1119-W1130 WeakPolarHBondContact CA-O 3.29Å; C1120-W1130 HydrophobicContact CB-CD2 3.44Å; C1120-W1130 VanDerWaalsContact CB-CD2 3.44Å; C1120-W1130 HydrophobicContact CB-CE3 3.83Å; C1120-W1130 HydrophobicContact CB-CG 4.07Å; C1120-W1130 HydrophobicContact CB-CH2 3.59Å; C1120-W1130 HydrophobicContact CB-CZ2 3.2Å; C1120-W1130 HydrophobicContact CB-CZ3 3.89Å; C1120-W1130 PolarHBondContact N-O 2.79Å; P1128-W1130 VanDerWaalsContact C-N 3.27Å; W1130-Y1132 HydrophobicContact CB-CD2 4.4Å; W1130-Y1132 HydrophobicContact CB-CE2 3.87Å; W1130-Y1132 HydrophobicContact CD2-CD2 4.47Å; W1130-Y1132 HydrophobicContact CD2-CE2 4.49Å; W1130-Y1132 AromaticContact CE3-CD2 3.9Å; W1130-Y1132 HydrophobicContact CE3-CD2 3.9Å; W1130-Y1132 HydrophobicContact CE3-CE2 4.35Å; W1130-Y1132 HydrophobicContact CG-CE2 4.35Å; W1130-L1168 HydrophobicContact CH2-CD2 3.65Å; W1130-L1168 HydrophobicContact CZ2-CD2 4.14Å; W1130-Q1171 HydrophobicContact CD2-CG 4.4Å; W1130-Q1171 VanDerWaalsContact CG-NE2 3.35Å |
| 1131 | S | 91.8 | Very high | 88.2 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 119.4 | 177.5 | -178 | 0 | 0 | 0 | 0 | 109 | V1118 | V1118-S1131 WeakPolarHBondContact O-CA 3.18Å |
| 1132 | Y | 92.8 | Very high | 88.4 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138 | -178.9 | -70.9 | -79 | 0 | 0 | 0 | 110.9 | N1117 V1118 W1130 Q1171 | N1117-Y1132 CarbonylContact C-O 3.56Å; N1117-Y1132 WeakPolarHBondContact CA-O 3.21Å; V1118-Y1132 PolarHBondContact N-O 3.15Å; V1118-Y1132 PolarHBondContact O-N 3.28Å; W1130-Y1132 HydrophobicContact CB-CD2 4.4Å; W1130-Y1132 HydrophobicContact CB-CE2 3.87Å; W1130-Y1132 HydrophobicContact CD2-CD2 4.47Å; W1130-Y1132 HydrophobicContact CD2-CE2 4.49Å; W1130-Y1132 AromaticContact CE3-CD2 3.9Å; W1130-Y1132 HydrophobicContact CE3-CD2 3.9Å; W1130-Y1132 HydrophobicContact CE3-CE2 4.35Å; W1130-Y1132 HydrophobicContact CG-CE2 4.35Å; Y1132-Q1171 HydrophobicContact CD2-CB 3.88Å; Y1132-Q1171 HydrophobicContact CD2-CG 4.37Å; Y1132-Q1171 HydrophobicContact CE2-CB 3.53Å; Y1132-Q1171 HydrophobicContact CE2-CG 3.83Å; Y1132-Q1171 PolarHBondContact OH-OE1 3.39Å |
| 1133 | P | 91.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.6 | -179.6 | 30 | -34 | 0 | 0 | 0 | 111.2 | N1117 Y1136 | N1117-P1133 VanDerWaalsContact OD1-CA 3.25Å; N1117-P1133 WeakPolarHBondContact OD1-CA 3.25Å; P1133-Y1136 HydrophobicContact CB-CE2 4.22Å; P1133-Y1136 WeakPolarHBondContact CB-OH 3.4Å |
| 1134 | N | 90.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.011 | 34% | 0.336 | C | S | . | . | trans | -68.5 | 144.7 | 162.4 | -167.7 | 74.6 | 0 | 0 | 0 | 109.5 | G1116 Y1136 V1141 V1164 W1166 | G1116-N1134 WeakPolarHBondContact O-CA 3.38Å; G1116-N1134 WeakPolarHBondContact O-CB 3.5Å; G1116-N1134 PolarHBondContact O-N 2.71Å; N1134-Y1136 PolarHBondContact O-N 3.2Å; N1134-V1141 HydrophobicContact CB-CG1 4.33Å; N1134-V1164 WeakPolarHBondContact OD1-CB 3.29Å; N1134-V1164 WeakPolarHBondContact OD1-CG1 3.24Å; N1134-W1166 PolarHBondContact OD1-NE1 2.85Å | ||
| 1135 | P | 87.4 | Confident | 89.7 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | trans | -58.8 | 112.9 | 179 | -23.7 | 34.1 | 0 | 0 | 0 | 111.8 | E1137 K1138 | P1135-E1137 HydrophobicContact CB-CG 4.25Å; P1135-E1137 PolarHBondContact O-N 3.45Å; P1135-K1138 HydrophobicContact CB-CG 3.95Å; P1135-K1138 WeakPolarHBondContact O-CG 3.36Å; P1135-K1138 PolarHBondContact O-N 2.91Å; P1135-K1138 VanDerWaalsContact O-N 3.15Å | ||
| 1136 | Y | 84.6 | Confident | 90 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 63% | 0.627 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -62.9 | -29.8 | -173.6 | -56.6 | -71.3 | 0 | 0 | 0 | 113.5 | H1115 P1133 N1134 K1138 G1139 | H1115-Y1136 WeakPolarHBondContact O-CE1 3.24Å; P1133-Y1136 HydrophobicContact CB-CE2 4.22Å; P1133-Y1136 WeakPolarHBondContact CB-OH 3.4Å; N1134-Y1136 PolarHBondContact O-N 3.2Å; Y1136-K1138 PolarHBondContact O-N 2.81Å; Y1136-K1138 VanDerWaalsContact O-N 3.11Å; Y1136-G1139 PolarHBondContact O-N 2.65Å; Y1136-G1139 VanDerWaalsContact O-N 3.1Å |
| 1137 | E | 88.1 | Confident | 90.3 | Very high | 155 Ų | 155 | 47.4 Ų | 47.4 | 72% | 0.724 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -61.7 | -14.8 | 177.1 | 65.2 | -155.9 | -151 | 0 | 0 | 114 | P1135 G1139 | P1135-E1137 HydrophobicContact CB-CG 4.25Å; P1135-E1137 PolarHBondContact O-N 3.45Å; E1137-G1139 VanDerWaalsContact C-N 3.28Å |
| 1138 | K | 88 | Confident | 90 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -87.9 | 5.5 | 177.1 | -45 | -60.7 | 167.1 | 175.6 | 0 | 112.9 | P1135 Y1136 T1158 T1160 Y1162 V1164 E1176 | P1135-K1138 HydrophobicContact CB-CG 3.95Å; P1135-K1138 WeakPolarHBondContact O-CG 3.36Å; P1135-K1138 PolarHBondContact O-N 2.91Å; P1135-K1138 VanDerWaalsContact O-N 3.15Å; Y1136-K1138 PolarHBondContact O-N 2.81Å; Y1136-K1138 VanDerWaalsContact O-N 3.11Å; K1138-T1158 HydrophobicContact CB-CG2 4.33Å; K1138-T1158 VanDerWaalsContact O-CB 3.27Å; K1138-T1158 WeakPolarHBondContact O-CB 3.28Å; K1138-T1158 PolarHBondContact O-OG1 2.84Å; K1138-T1160 PolarHBondContact O-OG1 2.81Å; K1138-Y1162 HydrophobicContact CB-CD2 3.77Å; K1138-Y1162 HydrophobicContact CB-CE2 4.36Å; K1138-Y1162 HydrophobicContact CB-CG 3.88Å; K1138-Y1162 HydrophobicContact CD-CD1 3.95Å; K1138-Y1162 HydrophobicContact CD-CD2 4.22Å; K1138-Y1162 HydrophobicContact CD-CE1 3.88Å; K1138-Y1162 HydrophobicContact CD-CE2 4.15Å; K1138-Y1162 HydrophobicContact CD-CG 4.13Å; K1138-Y1162 HydrophobicContact CG-CD2 4.5Å; K1138-Y1162 HydrophobicContact CG-CG 4.37Å; K1138-V1164 HydrophobicContact CG-CG2 4.47Å; K1138-E1176 WeakPolarHBondContact CE-OE2 3.24Å; K1138-E1176 IonicContact NZ-OE2 2.83Å; K1138-E1176 PolarHBondContact NZ-OE2 3.31Å |
| 1139 | G | 88.9 | Confident | 89 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 28% | 0.276 | C | S | . | . | trans | 88.3 | -178.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y1136 E1137 | Y1136-G1139 PolarHBondContact O-N 2.65Å; Y1136-G1139 VanDerWaalsContact O-N 3.1Å; E1137-G1139 VanDerWaalsContact C-N 3.28Å | ||
| 1140 | L | 92.3 | Very high | 88.1 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 60% | 0.597 | 27% | 0.273 | S | S | * | . | trans | -64.4 | 137.6 | -179.2 | -64.5 | 178.5 | 0 | 0 | 0 | 110.9 | T1158 E1159 | L1140-T1158 CarbonylContact O-C 3.56Å; L1140-T1158 VanDerWaalsContact O-CA 3.23Å; L1140-T1158 WeakPolarHBondContact O-CA 2.98Å; L1140-T1158 WeakPolarHBondContact O-CB 3.16Å; L1140-E1159 HydrophobicContact CB-CB 4.32Å; L1140-E1159 PolarHBondContact O-N 3.26Å | ||
| 1141 | V | 94.8 | Very high | 87.3 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 11% | 0.109 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.9 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 110.7 | I1096 L1112 S1113 N1134 V1156 | I1096-V1141 HydrophobicContact CD1-CB 4.33Å; I1096-V1141 HydrophobicContact CD1-CG2 3.74Å; I1096-V1141 WeakPolarHBondContact CD1-O 3.31Å; L1112-V1141 HydrophobicContact CD1-CB 4.2Å; L1112-V1141 HydrophobicContact CD1-CG1 4.22Å; L1112-V1141 HydrophobicContact CD1-CG2 4.14Å; L1112-V1141 HydrophobicContact CD2-CB 4.04Å; L1112-V1141 HydrophobicContact CD2-CG2 4.29Å; L1112-V1141 HydrophobicContact CG-CB 4.29Å; L1112-V1141 HydrophobicContact CG-CG2 4.09Å; S1113-V1141 WeakPolarHBondContact O-CG2 3.39Å; N1134-V1141 HydrophobicContact CB-CG1 4.33Å; V1141-V1156 HydrophobicContact CB-CG1 4.12Å; V1141-V1156 HydrophobicContact CG1-CG1 3.7Å |
| 1142 | T | 94.6 | Very high | 86.9 | Confident | 39 Ų | 39 | 51.5 Ų | 51.5 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | -30.8 | -172.2 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | G1157 E1159 I1185 | T1142-G1157 PolarHBondContact N-O 3.12Å; T1142-G1157 VanDerWaalsContact OG1-C 3.28Å; T1142-G1157 PolarHBondContact OG1-O 2.85Å; T1142-G1157 VanDerWaalsContact OG1-O 3.04Å; T1142-E1159 HydrophobicContact CG2-CB 4.02Å; T1142-I1185 WeakPolarHBondContact CB-O 3.42Å; T1142-I1185 PolarHBondContact OG1-O 3.46Å |
| 1143 | C | 95.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 159.9 | -178 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | L1112 G1157 L1186 | L1112-C1143 VanDerWaalsContact CD2-O 3.3Å; L1112-C1143 WeakPolarHBondContact CD2-O 3.39Å; C1143-G1157 PolarHBondContact O-N 2.81Å; C1143-L1186 WeakPolarHBondContact CB-O 3.19Å |
| 1144 | L | 96 | Very high | 87 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.6 | 177.3 | -176.5 | 71.6 | 0 | 0 | 0 | 109.8 | D1097 V1110 L1112 V1146 A1154 V1156 | D1097-L1144 HydrophobicContact CB-CB 3.97Å; D1097-L1144 PolarHBondContact OD2-N 2.9Å; D1097-L1144 VanDerWaalsContact OD2-N 3.14Å; V1110-L1144 HydrophobicContact CG1-CD2 4.41Å; L1112-L1144 HydrophobicContact CB-CB 3.88Å; L1112-L1144 HydrophobicContact CB-CD1 4.24Å; L1112-L1144 HydrophobicContact CB-CD2 4.07Å; L1112-L1144 HydrophobicContact CB-CG 4.28Å; L1112-L1144 HydrophobicContact CD2-CB 3.91Å; L1144-V1146 HydrophobicContact CD2-CG2 4.02Å; L1144-V1146 HydrophobicContact CG-CG2 4.15Å; L1144-A1154 HydrophobicContact CD1-CB 4.15Å; L1144-V1156 HydrophobicContact CD1-CG2 3.91Å |
| 1145 | C | 93.2 | Very high | 87.3 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.9 | 167.2 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | A1154 L1155 L1188 P1190 | C1145-A1154 CarbonylContact O-C 3.55Å; C1145-A1154 VanDerWaalsContact O-CA 3.26Å; C1145-A1154 WeakPolarHBondContact O-CA 3.41Å; C1145-L1155 PolarHBondContact N-O 3.3Å; C1145-L1155 PolarHBondContact O-N 2.76Å; C1145-L1188 HydrophobicContact CB-CB 3.44Å; C1145-L1188 VanDerWaalsContact CB-CB 3.44Å; C1145-L1188 HydrophobicContact CB-CD1 4.44Å; C1145-P1190 WeakPolarHBondContact SG-CD 3.47Å; C1145-P1190 WeakPolarHBondContact SG-CG 3.4Å |
| 1146 | V | 91.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.4 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | Y1099 V1110 L1144 Q1148 A1154 L1168 | Y1099-V1146 HydrophobicContact CD1-CB 3.76Å; Y1099-V1146 HydrophobicContact CD1-CG1 3.81Å; Y1099-V1146 HydrophobicContact CD1-CG2 4.47Å; Y1099-V1146 HydrophobicContact CE1-CG1 4.45Å; Y1099-V1146 HydrophobicContact CG-CB 4.03Å; Y1099-V1146 HydrophobicContact CG-CG2 4.48Å; V1110-V1146 HydrophobicContact CB-CG2 4.15Å; V1110-V1146 HydrophobicContact CG1-CG2 4.12Å; L1144-V1146 HydrophobicContact CD2-CG2 4.02Å; L1144-V1146 HydrophobicContact CG-CG2 4.15Å; V1146-Q1148 PolarHBondContact O-N 3.39Å; V1146-A1154 HydrophobicContact CG2-CB 4.09Å; V1146-L1168 HydrophobicContact CG1-CD1 3.96Å |
| 1147 | D | 85.4 | Confident | 88.3 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | trans | -56 | 108.6 | 172.1 | 174.8 | 19 | 0 | 0 | 0 | 111.6 | S1149 V1150 N1151 K1152 W1153 | D1147-S1149 VanDerWaalsContact C-N 3.26Å; D1147-S1149 PolarHBondContact O-N 2.99Å; D1147-S1149 PolarHBondContact OD1-N 3.35Å; D1147-S1149 PolarHBondContact OD1-OG 3.39Å; D1147-V1150 PolarHBondContact OD1-N 3.26Å; D1147-V1150 WeakPolarHBondContact OD2-CA 3.46Å; D1147-V1150 WeakPolarHBondContact OD2-CB 3.26Å; D1147-V1150 WeakPolarHBondContact OD2-CG2 3.38Å; D1147-V1150 PolarHBondContact OD2-N 3.45Å; D1147-V1150 VanDerWaalsContact OD2-N 3.12Å; D1147-N1151 WeakPolarHBondContact O-CA 3.36Å; D1147-N1151 PolarHBondContact O-N 2.91Å; D1147-N1151 VanDerWaalsContact O-N 3.09Å; D1147-N1151 PolarHBondContact O-OD1 3.34Å; D1147-N1151 PolarHBondContact OD2-N 3.08Å; D1147-K1152 PolarHBondContact OD2-N 3.21Å; D1147-W1153 HydrophobicContact CB-CD2 3.89Å; D1147-W1153 HydrophobicContact CB-CG 3.99Å; D1147-W1153 HydrophobicContact CB-CZ2 4.09Å; D1147-W1153 PolarHBondContact N-O 3.48Å | ||
| 1148 | Q | 76.3 | Confident | 88.7 | Confident | 96 Ų | 96 | 29.8 Ų | 29.8 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.1 | -178.3 | -63.3 | -177.4 | 4.2 | 0 | 0 | 113 | Y1099 V1146 P1190 | Y1099-Q1148 HydrophobicContact CE2-CG 4.06Å; V1146-Q1148 PolarHBondContact O-N 3.39Å; Q1148-P1190 HydrophobicContact CG-CG 4.31Å |
| 1149 | S | 67.7 | Low | 89 | Confident | 91 Ų | 91 | 33.1 Ų | 33.1 | 64% | 0.636 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -45.9 | -174.3 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | D1147 | D1147-S1149 VanDerWaalsContact C-N 3.26Å; D1147-S1149 PolarHBondContact O-N 2.99Å; D1147-S1149 PolarHBondContact OD1-N 3.35Å; D1147-S1149 PolarHBondContact OD1-OG 3.39Å |
| 1150 | V | 67.9 | Low | 89.2 | Confident | 45 Ų | 45 | 34.4 Ų | 34.4 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -1.8 | -172.6 | -125.6 | 0 | 0 | 0 | 0 | 114.9 | L968 D1147 K1152 | L968-V1150 HydrophobicContact CD2-CG1 3.71Å; L968-V1150 HydrophobicContact CD2-CG2 4.49Å; D1147-V1150 PolarHBondContact OD1-N 3.26Å; D1147-V1150 WeakPolarHBondContact OD2-CA 3.46Å; D1147-V1150 WeakPolarHBondContact OD2-CB 3.26Å; D1147-V1150 WeakPolarHBondContact OD2-CG2 3.38Å; D1147-V1150 PolarHBondContact OD2-N 3.45Å; D1147-V1150 VanDerWaalsContact OD2-N 3.12Å; V1150-K1152 HydrophobicContact CB-CD 3.84Å; V1150-K1152 HydrophobicContact CB-CG 3.94Å; V1150-K1152 HydrophobicContact CG1-CD 4.15Å; V1150-K1152 HydrophobicContact CG1-CG 4.47Å; V1150-K1152 HydrophobicContact CG2-CD 4.27Å; V1150-K1152 PolarHBondContact O-N 2.88Å |
| 1151 | N | 75.2 | Confident | 89.3 | Confident | 15 Ų | 15 | 29 Ų | 29 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 50.1 | 41.9 | -177.8 | -68.7 | -55.2 | 0 | 0 | 0 | 113.1 | Y1099 S1101 K1103 D1147 | Y1099-N1151 WeakPolarHBondContact CE1-OD1 3.31Å; S1101-N1151 WeakPolarHBondContact CB-ND2 3.4Å; S1101-N1151 VanDerWaalsContact OG-CG 3.25Å; S1101-N1151 PolarHBondContact OG-ND2 3.36Å; S1101-N1151 PolarHBondContact OG-OD1 3.11Å; K1103-N1151 PolarHBondContact NZ-O 3.07Å; D1147-N1151 WeakPolarHBondContact O-CA 3.36Å; D1147-N1151 PolarHBondContact O-N 2.91Å; D1147-N1151 VanDerWaalsContact O-N 3.09Å; D1147-N1151 PolarHBondContact O-OD1 3.34Å; D1147-N1151 PolarHBondContact OD2-N 3.08Å |
| 1152 | K | 83.9 | Confident | 89.4 | Confident | 78 Ų | 78 | 30.9 Ų | 30.9 | 34% | 0.339 | 16% | 0.161 | S | C | . | . | trans | -99.8 | -28.4 | -176.8 | -75.6 | 175.8 | -175.6 | 169.9 | 0 | 113.9 | D1147 V1150 L1168 R1169 | D1147-K1152 PolarHBondContact OD2-N 3.21Å; V1150-K1152 HydrophobicContact CB-CD 3.84Å; V1150-K1152 HydrophobicContact CB-CG 3.94Å; V1150-K1152 HydrophobicContact CG1-CD 4.15Å; V1150-K1152 HydrophobicContact CG1-CG 4.47Å; V1150-K1152 HydrophobicContact CG2-CD 4.27Å; V1150-K1152 PolarHBondContact O-N 2.88Å; K1152-L1168 WeakPolarHBondContact O-CB 3.43Å; K1152-L1168 PolarHBondContact O-N 3.01Å; K1152-R1169 HydrophobicContact CG-CG 4.42Å | ||
| 1153 | W | 91.6 | Very high | 89.5 | Confident | 46 Ų | 46 | 29 Ų | 29 | 17% | 0.174 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157 | -179.1 | 61.3 | -97.9 | 0 | 0 | 0 | 111.7 | D1147 L1155 L1165 W1166 P1190 V1198 L1213 | D1147-W1153 HydrophobicContact CB-CD2 3.89Å; D1147-W1153 HydrophobicContact CB-CG 3.99Å; D1147-W1153 HydrophobicContact CB-CZ2 4.09Å; D1147-W1153 PolarHBondContact N-O 3.48Å; W1153-L1155 HydrophobicContact CE3-CB 4.37Å; W1153-L1155 HydrophobicContact CZ3-CB 4Å; W1153-L1165 HydrophobicContact CB-CD1 4.26Å; W1153-L1165 HydrophobicContact CD2-CD1 4.38Å; W1153-L1165 HydrophobicContact CE3-CD1 3.98Å; W1153-W1166 CarbonylContact C-O 3.49Å; W1153-W1166 WeakPolarHBondContact CA-O 3.45Å; W1153-W1166 WeakPolarHBondContact CB-O 3.39Å; W1153-P1190 HydrophobicContact CH2-CB 4.15Å; W1153-P1190 HydrophobicContact CH2-CG 4.31Å; W1153-P1190 HydrophobicContact CZ2-CB 4.41Å; W1153-V1198 HydrophobicContact CH2-CG1 3.81Å; W1153-V1198 HydrophobicContact CZ3-CG1 4.27Å; W1153-L1213 HydrophobicContact CD2-CD1 4.31Å; W1153-L1213 HydrophobicContact CE3-CD1 4.11Å; W1153-L1213 HydrophobicContact CH2-CD1 3.88Å; W1153-L1213 HydrophobicContact CZ2-CD1 4.05Å; W1153-L1213 HydrophobicContact CZ3-CD1 3.91Å |
| 1154 | A | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | L1144 C1145 V1146 W1166 L1168 | L1144-A1154 HydrophobicContact CD1-CB 4.15Å; C1145-A1154 CarbonylContact O-C 3.55Å; C1145-A1154 VanDerWaalsContact O-CA 3.26Å; C1145-A1154 WeakPolarHBondContact O-CA 3.41Å; V1146-A1154 HydrophobicContact CG2-CB 4.09Å; A1154-W1166 HydrophobicContact CB-CB 4.38Å; A1154-W1166 PolarHBondContact N-O 2.83Å; A1154-W1166 PolarHBondContact O-N 3.47Å; A1154-L1168 HydrophobicContact CB-CD1 4.15Å; A1154-L1168 HydrophobicContact CB-CD2 3.79Å; A1154-L1168 HydrophobicContact CB-CG 4.11Å |
| 1155 | L | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.8 | 179.3 | -170.9 | 72.5 | 0 | 0 | 0 | 109.3 | C1145 W1153 F1163 V1164 L1165 L1188 V1198 L1213 | C1145-L1155 PolarHBondContact N-O 3.3Å; C1145-L1155 PolarHBondContact O-N 2.76Å; W1153-L1155 HydrophobicContact CE3-CB 4.37Å; W1153-L1155 HydrophobicContact CZ3-CB 4Å; L1155-F1163 HydrophobicContact CD1-CB 4.21Å; L1155-F1163 HydrophobicContact CD2-CD1 3.94Å; L1155-F1163 HydrophobicContact CG-CD1 4.48Å; L1155-V1164 WeakPolarHBondContact CA-O 3.5Å; L1155-L1165 HydrophobicContact CD1-CB 3.88Å; L1155-L1165 HydrophobicContact CD1-CD1 4.03Å; L1155-L1188 HydrophobicContact CB-CD1 4.44Å; L1155-L1188 HydrophobicContact CD2-CD1 4.06Å; L1155-L1188 HydrophobicContact CD2-CD2 4.17Å; L1155-L1188 HydrophobicContact CG-CD1 4.07Å; L1155-V1198 HydrophobicContact CD2-CB 4.22Å; L1155-V1198 HydrophobicContact CD2-CG1 3.98Å; L1155-V1198 HydrophobicContact CD2-CG2 3.7Å; L1155-L1213 HydrophobicContact CD1-CD2 3.87Å; L1155-L1213 HydrophobicContact CD2-CD2 3.64Å; L1155-L1213 HydrophobicContact CG-CD2 4.37Å |
| 1156 | V | 97.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.7 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | L1112 V1118 V1141 L1144 F1163 V1164 | L1112-V1156 HydrophobicContact CD1-CG1 4.14Å; L1112-V1156 HydrophobicContact CD1-CG2 4.05Å; L1112-V1156 HydrophobicContact CD2-CG1 3.93Å; L1112-V1156 HydrophobicContact CD2-CG2 4.41Å; V1118-V1156 HydrophobicContact CG2-CG2 3.83Å; V1141-V1156 HydrophobicContact CB-CG1 4.12Å; V1141-V1156 HydrophobicContact CG1-CG1 3.7Å; L1144-V1156 HydrophobicContact CD1-CG2 3.91Å; V1156-F1163 WeakPolarHBondContact O-CA 3.37Å; V1156-V1164 HydrophobicContact CB-CB 4.28Å; V1156-V1164 PolarHBondContact N-O 3.33Å; V1156-V1164 PolarHBondContact O-N 3.37Å |
| 1157 | G | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 147.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | T1142 C1143 Y1162 | T1142-G1157 PolarHBondContact N-O 3.12Å; T1142-G1157 VanDerWaalsContact OG1-C 3.28Å; T1142-G1157 PolarHBondContact OG1-O 2.85Å; T1142-G1157 VanDerWaalsContact OG1-O 3.04Å; C1143-G1157 PolarHBondContact O-N 2.81Å; G1157-Y1162 CarbonylContact C-O 3.5Å; G1157-Y1162 WeakPolarHBondContact CA-O 3.28Å |
| 1158 | T | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 162.8 | 179.3 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | K1138 L1140 T1160 G1161 Y1162 I1185 | K1138-T1158 HydrophobicContact CB-CG2 4.33Å; K1138-T1158 VanDerWaalsContact O-CB 3.27Å; K1138-T1158 WeakPolarHBondContact O-CB 3.28Å; K1138-T1158 PolarHBondContact O-OG1 2.84Å; L1140-T1158 CarbonylContact O-C 3.56Å; L1140-T1158 VanDerWaalsContact O-CA 3.23Å; L1140-T1158 WeakPolarHBondContact O-CA 2.98Å; L1140-T1158 WeakPolarHBondContact O-CB 3.16Å; T1158-T1160 PolarHBondContact O-N 3.15Å; T1158-T1160 PolarHBondContact OG1-N 3.25Å; T1158-T1160 PolarHBondContact OG1-OG1 2.75Å; T1158-G1161 PolarHBondContact O-N 3.3Å; T1158-G1161 PolarHBondContact OG1-N 3.12Å; T1158-Y1162 PolarHBondContact N-O 2.85Å; T1158-Y1162 WeakPolarHBondContact OG1-CB 3.25Å; T1158-Y1162 PolarHBondContact OG1-N 3.05Å; T1158-I1185 PolarHBondContact O-N 3.16Å; T1158-I1185 VanDerWaalsContact O-N 3.16Å |
| 1159 | E | 94.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 45% | 0.453 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.3 | 176.8 | -173.4 | -170.5 | -179.3 | 0 | 0 | 112.2 | L1140 T1142 G1161 P1184 | L1140-E1159 HydrophobicContact CB-CB 4.32Å; L1140-E1159 PolarHBondContact O-N 3.26Å; T1142-E1159 HydrophobicContact CG2-CB 4.02Å; E1159-G1161 PolarHBondContact O-N 3.02Å; E1159-P1184 HydrophobicContact CG-CB 4.25Å; E1159-P1184 HydrophobicContact CG-CG 4.2Å; E1159-P1184 WeakPolarHBondContact O-CA 3.38Å; E1159-P1184 VanDerWaalsContact O-CB 3.24Å; E1159-P1184 WeakPolarHBondContact O-CB 3.44Å; E1159-P1184 WeakPolarHBondContact O-CG 3.24Å |
| 1160 | T | 93.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.9 | 176.6 | 70 | 0 | 0 | 0 | 0 | 112.4 | K1138 T1158 Y1162 K1178 N1182 | K1138-T1160 PolarHBondContact O-OG1 2.81Å; T1158-T1160 PolarHBondContact O-N 3.15Å; T1158-T1160 PolarHBondContact OG1-N 3.25Å; T1158-T1160 PolarHBondContact OG1-OG1 2.75Å; T1160-Y1162 WeakPolarHBondContact OG1-CD2 3.2Å; T1160-K1178 WeakPolarHBondContact O-CE 3.36Å; T1160-N1182 CarbonylContact O-C 3.57Å; T1160-N1182 WeakPolarHBondContact O-CA 3.49Å |
| 1161 | G | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | 90.4 | 20.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1158 E1159 K1178 H1179 I1183 | T1158-G1161 PolarHBondContact O-N 3.3Å; T1158-G1161 PolarHBondContact OG1-N 3.12Å; E1159-G1161 PolarHBondContact O-N 3.02Å; G1161-K1178 CarbonylContact O-C 3.53Å; G1161-K1178 VanDerWaalsContact O-CA 3.31Å; G1161-K1178 WeakPolarHBondContact O-CA 3.47Å; G1161-K1178 VanDerWaalsContact O-CG 3.25Å; G1161-K1178 WeakPolarHBondContact O-CG 3.38Å; G1161-H1179 PolarHBondContact O-N 3.02Å; G1161-I1183 WeakPolarHBondContact CA-O 3.16Å | ||
| 1162 | Y | 97 | Very high | 92.9 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143.7 | 174.1 | -78.1 | -88 | 0 | 0 | 0 | 112.4 | K1138 G1157 T1158 T1160 F1177 K1178 I1185 | K1138-Y1162 HydrophobicContact CB-CD2 3.77Å; K1138-Y1162 HydrophobicContact CB-CE2 4.36Å; K1138-Y1162 HydrophobicContact CB-CG 3.88Å; K1138-Y1162 HydrophobicContact CD-CD1 3.95Å; K1138-Y1162 HydrophobicContact CD-CD2 4.22Å; K1138-Y1162 HydrophobicContact CD-CE1 3.88Å; K1138-Y1162 HydrophobicContact CD-CE2 4.15Å; K1138-Y1162 HydrophobicContact CD-CG 4.13Å; K1138-Y1162 HydrophobicContact CG-CD2 4.5Å; K1138-Y1162 HydrophobicContact CG-CG 4.37Å; G1157-Y1162 CarbonylContact C-O 3.5Å; G1157-Y1162 WeakPolarHBondContact CA-O 3.28Å; T1158-Y1162 PolarHBondContact N-O 2.85Å; T1158-Y1162 WeakPolarHBondContact OG1-CB 3.25Å; T1158-Y1162 PolarHBondContact OG1-N 3.05Å; T1160-Y1162 WeakPolarHBondContact OG1-CD2 3.2Å; Y1162-F1177 CarbonylContact C-O 3.44Å; Y1162-F1177 WeakPolarHBondContact CA-O 3.24Å; Y1162-K1178 HydrophobicContact CD1-CB 3.83Å; Y1162-K1178 HydrophobicContact CD1-CD 4.3Å; Y1162-K1178 HydrophobicContact CD1-CG 3.96Å; Y1162-K1178 HydrophobicContact CD2-CD 3.96Å; Y1162-K1178 HydrophobicContact CD2-CG 4Å; Y1162-K1178 HydrophobicContact CE1-CB 3.88Å; Y1162-K1178 HydrophobicContact CE1-CD 3.92Å; Y1162-K1178 HydrophobicContact CE1-CG 4.06Å; Y1162-K1178 HydrophobicContact CE2-CD 3.56Å; Y1162-K1178 HydrophobicContact CE2-CG 4.1Å; Y1162-K1178 HydrophobicContact CG-CB 4.28Å; Y1162-K1178 HydrophobicContact CG-CD 4.31Å; Y1162-K1178 HydrophobicContact CG-CG 3.93Å; Y1162-I1185 WeakPolarHBondContact O-CD1 3.02Å |
| 1163 | F | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119 | 166.6 | -64.2 | -96 | 0 | 0 | 0 | 108.1 | L1155 V1156 E1176 F1177 I1185 L1188 A1200 F1202 W1211 | L1155-F1163 HydrophobicContact CD1-CB 4.21Å; L1155-F1163 HydrophobicContact CD2-CD1 3.94Å; L1155-F1163 HydrophobicContact CG-CD1 4.48Å; V1156-F1163 WeakPolarHBondContact O-CA 3.37Å; F1163-E1176 WeakPolarHBondContact O-CA 3.31Å; F1163-F1177 HydrophobicContact CB-CD1 4.05Å; F1163-F1177 HydrophobicContact CB-CD2 3.79Å; F1163-F1177 HydrophobicContact CB-CE1 3.73Å; F1163-F1177 HydrophobicContact CB-CE2 3.45Å; F1163-F1177 VanDerWaalsContact CB-CE2 3.45Å; F1163-F1177 HydrophobicContact CB-CG 4.07Å; F1163-F1177 HydrophobicContact CB-CZ 3.41Å; F1163-F1177 VanDerWaalsContact CB-CZ 3.41Å; F1163-F1177 AromaticContact CD1-CE2 3.9Å; F1163-F1177 HydrophobicContact CD1-CE2 3.9Å; F1163-F1177 HydrophobicContact CD1-CZ 4.03Å; F1163-F1177 AromaticContact CD2-CD2 3.6Å; F1163-F1177 HydrophobicContact CD2-CD2 3.6Å; F1163-F1177 AromaticContact CD2-CE2 3.4Å; F1163-F1177 HydrophobicContact CD2-CE2 3.4Å; F1163-F1177 HydrophobicContact CD2-CZ 4.22Å; F1163-F1177 HydrophobicContact CE1-CE2 4.44Å; F1163-F1177 HydrophobicContact CE2-CD2 4.37Å; F1163-F1177 HydrophobicContact CE2-CE2 4.04Å; F1163-F1177 AromaticContact CG-CD2 3.85Å; F1163-F1177 HydrophobicContact CG-CD2 3.85Å; F1163-F1177 HydrophobicContact CG-CE1 4.45Å; F1163-F1177 AromaticContact CG-CE2 3.31Å; F1163-F1177 HydrophobicContact CG-CE2 3.31Å; F1163-F1177 AromaticContact CG-CZ 3.66Å; F1163-F1177 HydrophobicContact CG-CZ 3.66Å; F1163-F1177 PolarHBondContact N-O 2.83Å; F1163-F1177 PolarHBondContact O-N 3.36Å; F1163-F1177 VanDerWaalsContact O-N 3.09Å; F1163-I1185 HydrophobicContact CD1-CD1 4.04Å; F1163-I1185 HydrophobicContact CD2-CD1 3.78Å; F1163-I1185 HydrophobicContact CE1-CD1 3.92Å; F1163-I1185 HydrophobicContact CE2-CD1 3.62Å; F1163-I1185 HydrophobicContact CE2-CG1 4.27Å; F1163-I1185 HydrophobicContact CG-CD1 3.99Å; F1163-I1185 HydrophobicContact CZ-CD1 3.7Å; F1163-I1185 HydrophobicContact CZ-CG1 4.1Å; F1163-L1188 HydrophobicContact CD1-CD2 3.99Å; F1163-L1188 HydrophobicContact CE1-CD2 3.57Å; F1163-A1200 HydrophobicContact CE1-CB 3.69Å; F1163-A1200 HydrophobicContact CZ-CB 3.7Å; F1163-F1202 HydrophobicContact CZ-CE1 4.45Å; F1163-F1202 HydrophobicContact CZ-CZ 4.06Å; F1163-W1211 HydrophobicContact CE1-CG 4.31Å; F1163-W1211 HydrophobicContact CE2-CD2 4.1Å; F1163-W1211 HydrophobicContact CE2-CE3 4.38Å; F1163-W1211 HydrophobicContact CE2-CZ2 4.33Å; F1163-W1211 AromaticContact CZ-CD1 3.86Å; F1163-W1211 AromaticContact CZ-CD2 3.95Å; F1163-W1211 HydrophobicContact CZ-CD2 3.95Å; F1163-W1211 AromaticContact CZ-CE2 3.82Å; F1163-W1211 HydrophobicContact CZ-CG 4Å; F1163-W1211 HydrophobicContact CZ-CZ2 4.44Å; F1163-W1211 AromaticContact CZ-NE1 3.76Å |
| 1164 | V | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 110.2 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | N1134 K1138 L1155 V1156 N1173 E1176 | N1134-V1164 WeakPolarHBondContact OD1-CB 3.29Å; N1134-V1164 WeakPolarHBondContact OD1-CG1 3.24Å; K1138-V1164 HydrophobicContact CG-CG2 4.47Å; L1155-V1164 WeakPolarHBondContact CA-O 3.5Å; V1156-V1164 HydrophobicContact CB-CB 4.28Å; V1156-V1164 PolarHBondContact N-O 3.33Å; V1156-V1164 PolarHBondContact O-N 3.37Å; V1164-N1173 HydrophobicContact CG1-CB 4.46Å; V1164-N1173 WeakPolarHBondContact CG1-ND2 3.36Å; V1164-E1176 HydrophobicContact CG1-CG 4.32Å |
| 1165 | L | 95.6 | Very high | 93 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.6 | -174.9 | -179.4 | 65.8 | 0 | 0 | 0 | 110.7 | W1153 L1155 N1173 V1174 R1175 L1213 | W1153-L1165 HydrophobicContact CB-CD1 4.26Å; W1153-L1165 HydrophobicContact CD2-CD1 4.38Å; W1153-L1165 HydrophobicContact CE3-CD1 3.98Å; L1155-L1165 HydrophobicContact CD1-CB 3.88Å; L1155-L1165 HydrophobicContact CD1-CD1 4.03Å; L1165-N1173 CarbonylContact O-C 3.53Å; L1165-N1173 WeakPolarHBondContact O-CA 3.29Å; L1165-N1173 PolarHBondContact O-OD1 3.05Å; L1165-V1174 PolarHBondContact O-N 3.01Å; L1165-R1175 HydrophobicContact CB-CB 4.21Å; L1165-R1175 WeakPolarHBondContact CB-O 3.05Å; L1165-R1175 HydrophobicContact CD2-CB 4.23Å; L1165-R1175 PolarHBondContact N-O 3.32Å; L1165-L1213 HydrophobicContact CD1-CD1 4.02Å; L1165-L1213 HydrophobicContact CD2-CB 4.25Å |
| 1166 | W | 94.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.5 | 179.5 | -73.9 | 82.9 | 0 | 0 | 0 | 111.3 | V1118 N1134 W1153 A1154 L1172 N1173 | V1118-W1166 HydrophobicContact CG2-CD2 4.33Å; V1118-W1166 HydrophobicContact CG2-CG 4.44Å; V1118-W1166 HydrophobicContact CG2-CZ2 4.41Å; N1134-W1166 PolarHBondContact OD1-NE1 2.85Å; W1153-W1166 CarbonylContact C-O 3.49Å; W1153-W1166 WeakPolarHBondContact CA-O 3.45Å; W1153-W1166 WeakPolarHBondContact CB-O 3.39Å; A1154-W1166 HydrophobicContact CB-CB 4.38Å; A1154-W1166 PolarHBondContact N-O 2.83Å; A1154-W1166 PolarHBondContact O-N 3.47Å; W1166-L1172 CarbonylContact C-O 3.53Å; W1166-L1172 WeakPolarHBondContact CA-O 3.46Å; W1166-N1173 HydrophobicContact CD2-CB 4.38Å; W1166-N1173 HydrophobicContact CH2-CB 4.41Å; W1166-N1173 HydrophobicContact CZ2-CB 4.2Å |
| 1167 | D | 92.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.2 | 161.9 | -170.1 | -49.9 | 0 | 0 | 0 | 109.1 | R1169 F1170 Q1171 L1172 V1174 | D1167-R1169 VanDerWaalsContact C-N 3.27Å; D1167-R1169 PolarHBondContact O-N 2.83Å; D1167-R1169 WeakPolarHBondContact OD1-CA 3.49Å; D1167-R1169 WeakPolarHBondContact OD1-CB 3.4Å; D1167-R1169 PolarHBondContact OD1-N 3.28Å; D1167-R1169 IonicContact OD1-NE 3.68Å; D1167-R1169 PolarHBondContact OD1-NE 2.59Å; D1167-R1169 VanDerWaalsContact OD1-NE 3.14Å; D1167-R1169 IonicContact OD1-NH2 3.35Å; D1167-R1169 IonicContact OD2-CZ 3.5Å; D1167-R1169 IonicContact OD2-NE 2.66Å; D1167-R1169 PolarHBondContact OD2-NE 2.95Å; D1167-R1169 IonicContact OD2-NH2 2.78Å; D1167-R1169 PolarHBondContact OD2-NH2 3.32Å; D1167-F1170 HydrophobicContact CB-CD2 4.36Å; D1167-F1170 PolarHBondContact OD1-N 2.77Å; D1167-F1170 WeakPolarHBondContact OD2-CD2 3.46Å; D1167-Q1171 VanDerWaalsContact O-CA 3.25Å; D1167-Q1171 WeakPolarHBondContact O-CA 3.37Å; D1167-Q1171 PolarHBondContact O-N 3.01Å; D1167-L1172 PolarHBondContact N-O 3.11Å; D1167-L1172 PolarHBondContact O-N 2.83Å; D1167-V1174 HydrophobicContact CB-CG2 3.64Å |
| 1168 | L | 89.9 | Confident | 92.7 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.7 | -175.6 | -62.7 | 174.6 | 0 | 0 | 0 | 113.3 | V1110 W1130 V1146 K1152 A1154 | V1110-L1168 HydrophobicContact CG1-CD2 4.03Å; V1110-L1168 HydrophobicContact CG2-CD1 4.27Å; W1130-L1168 HydrophobicContact CH2-CD2 3.65Å; W1130-L1168 HydrophobicContact CZ2-CD2 4.14Å; V1146-L1168 HydrophobicContact CG1-CD1 3.96Å; K1152-L1168 WeakPolarHBondContact O-CB 3.43Å; K1152-L1168 PolarHBondContact O-N 3.01Å; A1154-L1168 HydrophobicContact CB-CD1 4.15Å; A1154-L1168 HydrophobicContact CB-CD2 3.79Å; A1154-L1168 HydrophobicContact CB-CG 4.11Å |
| 1169 | R | 85.4 | Confident | 92.5 | Very high | 140 Ų | 140 | 53.2 Ų | 53.2 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -43.7 | 178.3 | -53.5 | 169.4 | -72.3 | -179 | -2.8 | 110.4 | K1152 D1167 | K1152-R1169 HydrophobicContact CG-CG 4.42Å; D1167-R1169 VanDerWaalsContact C-N 3.27Å; D1167-R1169 PolarHBondContact O-N 2.83Å; D1167-R1169 WeakPolarHBondContact OD1-CA 3.49Å; D1167-R1169 WeakPolarHBondContact OD1-CB 3.4Å; D1167-R1169 PolarHBondContact OD1-N 3.28Å; D1167-R1169 IonicContact OD1-NE 3.68Å; D1167-R1169 PolarHBondContact OD1-NE 2.59Å; D1167-R1169 VanDerWaalsContact OD1-NE 3.14Å; D1167-R1169 IonicContact OD1-NH2 3.35Å; D1167-R1169 IonicContact OD2-CZ 3.5Å; D1167-R1169 IonicContact OD2-NE 2.66Å; D1167-R1169 PolarHBondContact OD2-NE 2.95Å; D1167-R1169 IonicContact OD2-NH2 2.78Å; D1167-R1169 PolarHBondContact OD2-NH2 3.32Å |
| 1170 | F | 87.5 | Confident | 92.2 | Very high | 133 Ų | 133 | 53 Ų | 53 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.6 | -179 | -57.7 | -68.3 | 0 | 0 | 0 | 113 | D1167 L1172 | D1167-F1170 HydrophobicContact CB-CD2 4.36Å; D1167-F1170 PolarHBondContact OD1-N 2.77Å; D1167-F1170 WeakPolarHBondContact OD2-CD2 3.46Å; F1170-L1172 VanDerWaalsContact C-N 3.3Å; F1170-L1172 HydrophobicContact CB-CB 4.49Å; F1170-L1172 HydrophobicContact CB-CD1 3.99Å; F1170-L1172 HydrophobicContact CB-CG 4.17Å; F1170-L1172 PolarHBondContact O-N 2.99Å |
| 1171 | Q | 87.6 | Confident | 92 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 41.5 | -178.5 | -55.6 | 159.4 | -18.8 | 0 | 0 | 111.7 | W1130 Y1132 D1167 | W1130-Q1171 HydrophobicContact CD2-CG 4.4Å; W1130-Q1171 VanDerWaalsContact CG-NE2 3.35Å; Y1132-Q1171 HydrophobicContact CD2-CB 3.88Å; Y1132-Q1171 HydrophobicContact CD2-CG 4.37Å; Y1132-Q1171 HydrophobicContact CE2-CB 3.53Å; Y1132-Q1171 HydrophobicContact CE2-CG 3.83Å; Y1132-Q1171 PolarHBondContact OH-OE1 3.39Å; D1167-Q1171 VanDerWaalsContact O-CA 3.25Å; D1167-Q1171 WeakPolarHBondContact O-CA 3.37Å; D1167-Q1171 PolarHBondContact O-N 3.01Å |
| 1172 | L | 89.9 | Confident | 91.8 | Very high | 106 Ų | 106 | 56.7 Ų | 56.7 | 56% | 0.555 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.7 | -176.1 | -69 | 173.3 | 0 | 0 | 0 | 110.7 | W1166 D1167 F1170 V1174 | W1166-L1172 CarbonylContact C-O 3.53Å; W1166-L1172 WeakPolarHBondContact CA-O 3.46Å; D1167-L1172 PolarHBondContact N-O 3.11Å; D1167-L1172 PolarHBondContact O-N 2.83Å; F1170-L1172 VanDerWaalsContact C-N 3.3Å; F1170-L1172 HydrophobicContact CB-CB 4.49Å; F1170-L1172 HydrophobicContact CB-CD1 3.99Å; F1170-L1172 HydrophobicContact CB-CG 4.17Å; F1170-L1172 PolarHBondContact O-N 2.99Å; L1172-V1174 PolarHBondContact O-N 3.19Å |
| 1173 | N | 89.2 | Confident | 91.6 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 116.9 | 159.9 | 175.1 | 1.7 | 0 | 0 | 0 | 108.3 | V1164 L1165 W1166 R1175 E1176 | V1164-N1173 HydrophobicContact CG1-CB 4.46Å; V1164-N1173 WeakPolarHBondContact CG1-ND2 3.36Å; L1165-N1173 CarbonylContact O-C 3.53Å; L1165-N1173 WeakPolarHBondContact O-CA 3.29Å; L1165-N1173 PolarHBondContact O-OD1 3.05Å; W1166-N1173 HydrophobicContact CD2-CB 4.38Å; W1166-N1173 HydrophobicContact CH2-CB 4.41Å; W1166-N1173 HydrophobicContact CZ2-CB 4.2Å; N1173-R1175 PolarHBondContact OD1-N 3.34Å; N1173-R1175 PolarHBondContact OD1-O 2.8Å; N1173-E1176 PolarHBondContact ND2-OE1 3.18Å |
| 1174 | V | 90 | Very high | 91.4 | Very high | 95 Ų | 95 | 55.9 Ų | 55.9 | 58% | 0.576 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -31.4 | -174.8 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | L1165 D1167 L1172 | L1165-V1174 PolarHBondContact O-N 3.01Å; D1167-V1174 HydrophobicContact CB-CG2 3.64Å; L1172-V1174 PolarHBondContact O-N 3.19Å |
| 1175 | R | 92.3 | Very high | 91.5 | Very high | 100 Ų | 100 | 55.9 Ų | 55.9 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 145.8 | -175.8 | -161.7 | -177.1 | -177.1 | 113.2 | -8.4 | 112 | L1165 N1173 L1213 E1214 S1215 | L1165-R1175 HydrophobicContact CB-CB 4.21Å; L1165-R1175 WeakPolarHBondContact CB-O 3.05Å; L1165-R1175 HydrophobicContact CD2-CB 4.23Å; L1165-R1175 PolarHBondContact N-O 3.32Å; N1173-R1175 PolarHBondContact OD1-N 3.34Å; N1173-R1175 PolarHBondContact OD1-O 2.8Å; R1175-L1213 VanDerWaalsContact CD-O 3.25Å; R1175-L1213 WeakPolarHBondContact CD-O 3.46Å; R1175-E1214 PolarHBondContact NH1-O 3.01Å; R1175-E1214 PolarHBondContact NH2-O 3.14Å; R1175-S1215 PolarHBondContact NH2-O 2.7Å |
| 1176 | E | 93.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 135.4 | 173.7 | -58.2 | 174.2 | 177.4 | 0 | 0 | 109.6 | K1138 F1163 V1164 N1173 | K1138-E1176 WeakPolarHBondContact CE-OE2 3.24Å; K1138-E1176 IonicContact NZ-OE2 2.83Å; K1138-E1176 PolarHBondContact NZ-OE2 3.31Å; F1163-E1176 WeakPolarHBondContact O-CA 3.31Å; V1164-E1176 HydrophobicContact CG1-CG 4.32Å; N1173-E1176 PolarHBondContact ND2-OE1 3.18Å |
| 1177 | F | 94.7 | Very high | 91.4 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 168.5 | 170.3 | 57.5 | -85 | 0 | 0 | 0 | 109.6 | Y1162 F1163 W1211 L1213 | Y1162-F1177 CarbonylContact C-O 3.44Å; Y1162-F1177 WeakPolarHBondContact CA-O 3.24Å; F1163-F1177 HydrophobicContact CB-CD1 4.05Å; F1163-F1177 HydrophobicContact CB-CD2 3.79Å; F1163-F1177 HydrophobicContact CB-CE1 3.73Å; F1163-F1177 HydrophobicContact CB-CE2 3.45Å; F1163-F1177 VanDerWaalsContact CB-CE2 3.45Å; F1163-F1177 HydrophobicContact CB-CG 4.07Å; F1163-F1177 HydrophobicContact CB-CZ 3.41Å; F1163-F1177 VanDerWaalsContact CB-CZ 3.41Å; F1163-F1177 AromaticContact CD1-CE2 3.9Å; F1163-F1177 HydrophobicContact CD1-CE2 3.9Å; F1163-F1177 HydrophobicContact CD1-CZ 4.03Å; F1163-F1177 AromaticContact CD2-CD2 3.6Å; F1163-F1177 HydrophobicContact CD2-CD2 3.6Å; F1163-F1177 AromaticContact CD2-CE2 3.4Å; F1163-F1177 HydrophobicContact CD2-CE2 3.4Å; F1163-F1177 HydrophobicContact CD2-CZ 4.22Å; F1163-F1177 HydrophobicContact CE1-CE2 4.44Å; F1163-F1177 HydrophobicContact CE2-CD2 4.37Å; F1163-F1177 HydrophobicContact CE2-CE2 4.04Å; F1163-F1177 AromaticContact CG-CD2 3.85Å; F1163-F1177 HydrophobicContact CG-CD2 3.85Å; F1163-F1177 HydrophobicContact CG-CE1 4.45Å; F1163-F1177 AromaticContact CG-CE2 3.31Å; F1163-F1177 HydrophobicContact CG-CE2 3.31Å; F1163-F1177 AromaticContact CG-CZ 3.66Å; F1163-F1177 HydrophobicContact CG-CZ 3.66Å; F1163-F1177 PolarHBondContact N-O 2.83Å; F1163-F1177 PolarHBondContact O-N 3.36Å; F1163-F1177 VanDerWaalsContact O-N 3.09Å; F1177-W1211 HydrophobicContact CD2-CE3 4.08Å; F1177-W1211 HydrophobicContact CD2-CZ3 4.48Å; F1177-W1211 HydrophobicContact CE2-CB 4.23Å; F1177-W1211 HydrophobicContact CE2-CD2 4.29Å; F1177-W1211 AromaticContact CE2-CE3 3.83Å; F1177-W1211 HydrophobicContact CE2-CE3 3.83Å; F1177-W1211 HydrophobicContact CE2-CG 4.47Å; F1177-L1213 HydrophobicContact CE1-CD2 4.21Å; F1177-L1213 HydrophobicContact CZ-CD2 3.93Å |
| 1178 | K | 94.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.8 | -169 | -160.2 | -172.3 | -170 | 179.6 | 0 | 112.3 | T1160 G1161 Y1162 N1182 | T1160-K1178 WeakPolarHBondContact O-CE 3.36Å; G1161-K1178 CarbonylContact O-C 3.53Å; G1161-K1178 VanDerWaalsContact O-CA 3.31Å; G1161-K1178 WeakPolarHBondContact O-CA 3.47Å; G1161-K1178 VanDerWaalsContact O-CG 3.25Å; G1161-K1178 WeakPolarHBondContact O-CG 3.38Å; Y1162-K1178 HydrophobicContact CD1-CB 3.83Å; Y1162-K1178 HydrophobicContact CD1-CD 4.3Å; Y1162-K1178 HydrophobicContact CD1-CG 3.96Å; Y1162-K1178 HydrophobicContact CD2-CD 3.96Å; Y1162-K1178 HydrophobicContact CD2-CG 4Å; Y1162-K1178 HydrophobicContact CE1-CB 3.88Å; Y1162-K1178 HydrophobicContact CE1-CD 3.92Å; Y1162-K1178 HydrophobicContact CE1-CG 4.06Å; Y1162-K1178 HydrophobicContact CE2-CD 3.56Å; Y1162-K1178 HydrophobicContact CE2-CG 4.1Å; Y1162-K1178 HydrophobicContact CG-CB 4.28Å; Y1162-K1178 HydrophobicContact CG-CD 4.31Å; Y1162-K1178 HydrophobicContact CG-CG 3.93Å; K1178-N1182 WeakPolarHBondContact CD-OD1 3.44Å; K1178-N1182 WeakPolarHBondContact CE-OD1 3.4Å; K1178-N1182 PolarHBondContact NZ-OD1 2.9Å |
| 1179 | H | 93.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | trans | -57.9 | 129.7 | 167.5 | -170 | -86 | 0 | 0 | 0 | 111 | G1161 A1181 N1182 I1183 F1202 E1207 W1211 Y1232 | G1161-H1179 PolarHBondContact O-N 3.02Å; H1179-A1181 PolarHBondContact ND1-N 3.38Å; H1179-A1181 VanDerWaalsContact ND1-N 3.18Å; H1179-A1181 PolarHBondContact O-N 3.28Å; H1179-A1181 VanDerWaalsContact O-N 3.11Å; H1179-N1182 PolarHBondContact O-N 2.78Å; H1179-I1183 VanDerWaalsContact CE1-CD1 3.44Å; H1179-I1183 WeakPolarHBondContact CE1-CD1 3.1Å; H1179-F1202 HydrophobicContact CB-CE1 4.14Å; H1179-F1202 AromaticContact CD2-CD1 3.95Å; H1179-F1202 AromaticContact CD2-CE1 3.38Å; H1179-F1202 WeakPolarHBondContact CD2-CE1 3.37Å; H1179-F1202 AromaticContact CD2-CZ 3.6Å; H1179-F1202 AromaticContact CG-CE1 3.9Å; H1179-E1207 IonicContact CE1-OE2 3.51Å; H1179-E1207 IonicContact NE2-OE1 2.69Å; H1179-E1207 PolarHBondContact NE2-OE1 3.42Å; H1179-E1207 IonicContact NE2-OE2 3.2Å; H1179-E1207 PolarHBondContact NE2-OE2 2.98Å; H1179-W1211 AromaticContact CD2-CZ2 3.73Å; H1179-Y1232 AromaticContact CE1-CE1 3.77Å; H1179-Y1232 AromaticContact CE1-CZ 3.57Å; H1179-Y1232 PolarHBondContact CE1-OH 3.44Å | ||
| 1180 | P | 87.9 | Confident | 91.7 | Very high | 94 Ų | 94 | 54 Ų | 54 | 61% | 0.61 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -33.1 | -175 | -29.2 | 32.5 | 0 | 0 | 0 | 115.1 | ||
| 1181 | A | 88.2 | Confident | 91.6 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 13.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1179 I1183 Y1232 | H1179-A1181 PolarHBondContact ND1-N 3.38Å; H1179-A1181 VanDerWaalsContact ND1-N 3.18Å; H1179-A1181 PolarHBondContact O-N 3.28Å; H1179-A1181 VanDerWaalsContact O-N 3.11Å; A1181-I1183 VanDerWaalsContact C-N 3.3Å; A1181-I1183 HydrophobicContact CB-CD1 3.96Å; A1181-I1183 HydrophobicContact CB-CG1 3.91Å; A1181-I1183 PolarHBondContact O-N 2.7Å; A1181-Y1232 HydrophobicContact CB-CD1 4.22Å; A1181-Y1232 HydrophobicContact CB-CD2 3.34Å; A1181-Y1232 HydrophobicContact CB-CE1 4.48Å; A1181-Y1232 HydrophobicContact CB-CE2 3.69Å; A1181-Y1232 HydrophobicContact CB-CG 3.62Å |
| 1182 | N | 90.9 | Very high | 90.9 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | trans | 55.5 | 38.7 | 178.3 | -51.5 | -45.8 | 0 | 0 | 0 | 114.1 | T1160 K1178 H1179 | T1160-N1182 CarbonylContact O-C 3.57Å; T1160-N1182 WeakPolarHBondContact O-CA 3.49Å; K1178-N1182 WeakPolarHBondContact CD-OD1 3.44Å; K1178-N1182 WeakPolarHBondContact CE-OD1 3.4Å; K1178-N1182 PolarHBondContact NZ-OD1 2.9Å; H1179-N1182 PolarHBondContact O-N 2.78Å | ||
| 1183 | I | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 136.5 | -174.3 | -54.8 | 177.2 | 0 | 0 | 0 | 109.2 | G1161 H1179 A1181 I1185 F1202 V1203 K1204 Y1232 | G1161-I1183 WeakPolarHBondContact CA-O 3.16Å; H1179-I1183 VanDerWaalsContact CE1-CD1 3.44Å; H1179-I1183 WeakPolarHBondContact CE1-CD1 3.1Å; A1181-I1183 VanDerWaalsContact C-N 3.3Å; A1181-I1183 HydrophobicContact CB-CD1 3.96Å; A1181-I1183 HydrophobicContact CB-CG1 3.91Å; A1181-I1183 PolarHBondContact O-N 2.7Å; I1183-I1185 PolarHBondContact O-N 3.5Å; I1183-F1202 HydrophobicContact CB-CD1 4.19Å; I1183-F1202 HydrophobicContact CG2-CB 3.82Å; I1183-F1202 HydrophobicContact CG2-CD1 4.23Å; I1183-F1202 HydrophobicContact CG2-CG 4.44Å; I1183-V1203 HydrophobicContact CG2-CB 4.47Å; I1183-K1204 HydrophobicContact CD1-CB 4.34Å; I1183-K1204 HydrophobicContact CG2-CB 4.28Å; I1183-K1204 HydrophobicContact CG2-CG 4.44Å; I1183-Y1232 HydrophobicContact CD1-CD1 3.18Å; I1183-Y1232 HydrophobicContact CD1-CE1 3.34Å; I1183-Y1232 HydrophobicContact CD1-CG 3.93Å |
| 1184 | P | 94.8 | Very high | 88.3 | Confident | 35 Ų | 35 | 47.6 Ų | 47.6 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 130.2 | 177 | -19.9 | 24.9 | 0 | 0 | 0 | 112.6 | E1159 F1202 V1203 | E1159-P1184 HydrophobicContact CG-CB 4.25Å; E1159-P1184 HydrophobicContact CG-CG 4.2Å; E1159-P1184 WeakPolarHBondContact O-CA 3.38Å; E1159-P1184 VanDerWaalsContact O-CB 3.24Å; E1159-P1184 WeakPolarHBondContact O-CB 3.44Å; E1159-P1184 WeakPolarHBondContact O-CG 3.24Å; P1184-F1202 WeakPolarHBondContact O-CA 3.43Å; P1184-V1203 HydrophobicContact CB-CB 4.49Å; P1184-V1203 HydrophobicContact CB-CG2 3.69Å; P1184-V1203 HydrophobicContact CG-CB 4.36Å; P1184-V1203 HydrophobicContact CG-CG2 3.93Å; P1184-V1203 PolarHBondContact O-N 3.31Å |
| 1185 | I | 96.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.1 | 172.3 | -59.9 | 155.9 | 0 | 0 | 0 | 107.8 | T1142 T1158 Y1162 F1163 I1183 L1188 A1200 T1201 F1202 | T1142-I1185 WeakPolarHBondContact CB-O 3.42Å; T1142-I1185 PolarHBondContact OG1-O 3.46Å; T1158-I1185 PolarHBondContact O-N 3.16Å; T1158-I1185 VanDerWaalsContact O-N 3.16Å; Y1162-I1185 WeakPolarHBondContact O-CD1 3.02Å; F1163-I1185 HydrophobicContact CD1-CD1 4.04Å; F1163-I1185 HydrophobicContact CD2-CD1 3.78Å; F1163-I1185 HydrophobicContact CE1-CD1 3.92Å; F1163-I1185 HydrophobicContact CE2-CD1 3.62Å; F1163-I1185 HydrophobicContact CE2-CG1 4.27Å; F1163-I1185 HydrophobicContact CG-CD1 3.99Å; F1163-I1185 HydrophobicContact CZ-CD1 3.7Å; F1163-I1185 HydrophobicContact CZ-CG1 4.1Å; I1183-I1185 PolarHBondContact O-N 3.5Å; I1185-L1188 HydrophobicContact CG2-CD2 3.87Å; I1185-L1188 HydrophobicContact CG2-CG 3.97Å; I1185-A1200 HydrophobicContact CG2-CB 4.46Å; I1185-T1201 CarbonylContact C-O 3.48Å; I1185-T1201 WeakPolarHBondContact CA-O 3.31Å; I1185-F1202 HydrophobicContact CG1-CD1 4.14Å; I1185-F1202 HydrophobicContact CG1-CE1 3.59Å; I1185-F1202 HydrophobicContact CG1-CZ 4.39Å |
| 1186 | L | 95 | Very high | 86.6 | Confident | 34 Ų | 34 | 42 Ų | 42 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -41.2 | -177.9 | -67 | 179.5 | 0 | 0 | 0 | 113 | C1143 T1201 V1203 A1246 V1247 T1248 | C1143-L1186 WeakPolarHBondContact CB-O 3.19Å; L1186-T1201 PolarHBondContact N-O 3.16Å; L1186-V1203 HydrophobicContact CD1-CG2 3.76Å; L1186-V1203 HydrophobicContact CD2-CG2 3.65Å; L1186-V1203 HydrophobicContact CG-CG2 3.74Å; L1186-A1246 HydrophobicContact CD1-CB 3.96Å; L1186-V1247 WeakPolarHBondContact CD1-O 3.43Å; L1186-T1248 HydrophobicContact CD1-CG2 4.36Å |
| 1187 | R | 94.6 | Very high | 86.3 | Confident | 56 Ų | 56 | 42 Ų | 42 | 21% | 0.211 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 147.7 | 178.7 | -60.4 | -67.2 | 175.3 | -113.8 | 6.9 | 110.4 | R1001 A1200 T1201 T1248 L1250 | R1001-R1187 VanDerWaalsContact NH1-NE 3.19Å; R1187-A1200 WeakPolarHBondContact O-CA 3.33Å; R1187-T1201 HydrophobicContact CB-CG2 4.17Å; R1187-T1201 WeakPolarHBondContact CB-OG1 3.49Å; R1187-T1201 PolarHBondContact N-OG1 2.92Å; R1187-T1201 VanDerWaalsContact N-OG1 3.09Å; R1187-T1201 PolarHBondContact O-N 2.95Å; R1187-T1248 WeakPolarHBondContact CG-O 3.41Å; R1187-T1248 PolarHBondContact NE-O 3.07Å; R1187-L1250 HydrophobicContact CB-CB 4.49Å |
| 1188 | L | 95.1 | Very high | 86.1 | Confident | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.7 | 173.7 | -69.9 | 170.9 | 0 | 0 | 0 | 109.5 | C1145 L1155 F1163 I1185 L1199 A1200 | C1145-L1188 HydrophobicContact CB-CB 3.44Å; C1145-L1188 VanDerWaalsContact CB-CB 3.44Å; C1145-L1188 HydrophobicContact CB-CD1 4.44Å; L1155-L1188 HydrophobicContact CB-CD1 4.44Å; L1155-L1188 HydrophobicContact CD2-CD1 4.06Å; L1155-L1188 HydrophobicContact CD2-CD2 4.17Å; L1155-L1188 HydrophobicContact CG-CD1 4.07Å; F1163-L1188 HydrophobicContact CD1-CD2 3.99Å; F1163-L1188 HydrophobicContact CE1-CD2 3.57Å; I1185-L1188 HydrophobicContact CG2-CD2 3.87Å; I1185-L1188 HydrophobicContact CG2-CG 3.97Å; L1188-L1199 CarbonylContact C-O 3.55Å; L1188-L1199 WeakPolarHBondContact CA-O 3.07Å; L1188-A1200 HydrophobicContact CD2-CB 3.76Å |
| 1189 | R | 90.7 | Very high | 86.1 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 19% | 0.185 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 137.4 | 174.7 | -162.5 | 165.3 | -177.1 | 135.1 | -2.3 | 110.7 | V1198 L1199 L1250 | R1189-V1198 CarbonylContact O-C 3.56Å; R1189-V1198 WeakPolarHBondContact O-CA 3.49Å; R1189-L1199 PolarHBondContact N-O 3.37Å; R1189-L1199 PolarHBondContact O-N 2.78Å; R1189-L1250 HydrophobicContact CB-CD2 3.87Å; R1189-L1250 PolarHBondContact NH1-O 3.48Å |
| 1190 | P | 88.3 | Confident | 86.2 | Confident | 18 Ų | 18 | 38.1 Ų | 38.1 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 140.4 | 174 | -6 | 23.1 | 0 | 0 | 0 | 109.4 | C1145 Q1148 W1153 Q1252 | C1145-P1190 WeakPolarHBondContact SG-CD 3.47Å; C1145-P1190 WeakPolarHBondContact SG-CG 3.4Å; Q1148-P1190 HydrophobicContact CG-CG 4.31Å; W1153-P1190 HydrophobicContact CH2-CB 4.15Å; W1153-P1190 HydrophobicContact CH2-CG 4.31Å; W1153-P1190 HydrophobicContact CZ2-CB 4.41Å; P1190-Q1252 PolarHBondContact O-OE1 3.49Å |
| 1191 | V | 84 | Confident | 86.5 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 137.6 | 169.4 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | S1195 R1197 L1199 E1210 P1260 | V1191-S1195 PolarHBondContact O-OG 2.75Å; V1191-R1197 HydrophobicContact CB-CB 4.04Å; V1191-R1197 HydrophobicContact CG2-CB 3.81Å; V1191-R1197 PolarHBondContact N-O 3Å; V1191-L1199 HydrophobicContact CG2-CG 4.03Å; V1191-E1210 HydrophobicContact CG2-CG 4.07Å; V1191-P1260 HydrophobicContact CG1-CB 4.41Å |
| 1192 | L | 73 | Confident | 86.8 | Confident | 52 Ų | 52 | 32 Ų | 32 | 27% | 0.272 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -62.2 | 141.6 | -178.7 | -63.6 | 172.1 | 0 | 0 | 0 | 111.4 | Q1252 | L1192-Q1252 HydrophobicContact CD1-CG 4.01Å; L1192-Q1252 HydrophobicContact CG-CG 4.29Å |
| 1193 | G | 64.6 | Low | 86.7 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 49% | 0.485 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 97.2 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1195 | G1193-S1195 PolarHBondContact O-N 2.67Š|
| 1194 | P | 59.5 | Low | 86.4 | Confident | 102 Ų | 102 | 32.4 Ų | 32.4 | 66% | 0.662 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -75.2 | 69.4 | 179.5 | 32.5 | -34.7 | 0 | 0 | 0 | 110.6 | ||
| 1195 | S | 67.2 | Low | 85.9 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | trans | -122.8 | 144.6 | -178.5 | 76.4 | 0 | 0 | 0 | 0 | 111.6 | V1191 G1193 R1197 | V1191-S1195 PolarHBondContact O-OG 2.75Å; G1193-S1195 PolarHBondContact O-N 2.67Å; S1195-R1197 PolarHBondContact O-N 2.86Å | ||
| 1196 | S | 79.8 | Confident | 85.4 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -82.5 | 29.1 | 170.9 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | L1213 E1214 | S1196-L1213 VanDerWaalsContact O-CB 3.25Å; S1196-L1213 WeakPolarHBondContact O-CB 3.34Å; S1196-L1213 WeakPolarHBondContact O-CG 3.43Å; S1196-L1213 PolarHBondContact O-N 2.95Å; S1196-E1214 WeakPolarHBondContact CB-OE1 3.29Å; S1196-E1214 PolarHBondContact OG-OE1 3.39Å |
| 1197 | R | 87.2 | Confident | 85.2 | Confident | 73 Ų | 73 | 29.9 Ų | 29.9 | 28% | 0.275 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.7 | -170.5 | -57.1 | -166.3 | -170.9 | 165.3 | 3.5 | 112.6 | V1191 S1195 E1210 W1211 | V1191-R1197 HydrophobicContact CB-CB 4.04Å; V1191-R1197 HydrophobicContact CG2-CB 3.81Å; V1191-R1197 PolarHBondContact N-O 3Å; S1195-R1197 PolarHBondContact O-N 2.86Å; R1197-E1210 HydrophobicContact CB-CG 4.35Å; R1197-E1210 WeakPolarHBondContact CD-OE1 3.48Å; R1197-E1210 IonicContact CZ-OE1 3.22Å; R1197-E1210 IonicContact NE-OE1 3.79Å; R1197-E1210 IonicContact NH1-OE1 2.72Å; R1197-E1210 PolarHBondContact NH1-OE1 3.16Å; R1197-W1211 CarbonylContact C-O 3.47Å; R1197-W1211 VanDerWaalsContact CA-O 3.3Å; R1197-W1211 WeakPolarHBondContact CA-O 3.5Å |
| 1198 | V | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 144.4 | -179.9 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | W1153 L1155 R1189 E1210 W1211 L1213 | W1153-V1198 HydrophobicContact CH2-CG1 3.81Å; W1153-V1198 HydrophobicContact CZ3-CG1 4.27Å; L1155-V1198 HydrophobicContact CD2-CB 4.22Å; L1155-V1198 HydrophobicContact CD2-CG1 3.98Å; L1155-V1198 HydrophobicContact CD2-CG2 3.7Å; R1189-V1198 CarbonylContact O-C 3.56Å; R1189-V1198 WeakPolarHBondContact O-CA 3.49Å; V1198-E1210 CarbonylContact O-C 3.45Å; V1198-E1210 WeakPolarHBondContact O-CA 3.46Å; V1198-W1211 HydrophobicContact CG2-CB 3.94Å; V1198-W1211 PolarHBondContact N-O 3.29Å; V1198-W1211 PolarHBondContact O-N 2.95Å; V1198-L1213 HydrophobicContact CG1-CD1 3.87Å; V1198-L1213 HydrophobicContact CG1-CD2 4Å; V1198-L1213 HydrophobicContact CG1-CG 4.07Å; V1198-L1213 HydrophobicContact CG2-CD2 3.69Å; V1198-L1213 HydrophobicContact CG2-CG 4.35Å |
| 1199 | L | 92.6 | Very high | 85 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 135.4 | 167.4 | -68.1 | 170.8 | 0 | 0 | 0 | 109.6 | L1188 R1189 V1191 S1209 E1210 L1250 Q1252 V1263 | L1188-L1199 CarbonylContact C-O 3.55Å; L1188-L1199 WeakPolarHBondContact CA-O 3.07Å; R1189-L1199 PolarHBondContact N-O 3.37Å; R1189-L1199 PolarHBondContact O-N 2.78Å; V1191-L1199 HydrophobicContact CG2-CG 4.03Å; L1199-S1209 CarbonylContact C-O 3.58Å; L1199-S1209 WeakPolarHBondContact CA-O 3.4Å; L1199-E1210 HydrophobicContact CD2-CB 3.93Å; L1199-E1210 HydrophobicContact CD2-CG 4.31Å; L1199-L1250 HydrophobicContact CB-CD2 3.74Å; L1199-L1250 HydrophobicContact CD1-CD2 4.48Å; L1199-Q1252 HydrophobicContact CD1-CG 4.42Å; L1199-V1263 HydrophobicContact CD1-CG2 3.93Å |
| 1200 | A | 95.7 | Very high | 85 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1163 I1185 R1187 L1188 F1202 V1208 S1209 | F1163-A1200 HydrophobicContact CE1-CB 3.69Å; F1163-A1200 HydrophobicContact CZ-CB 3.7Å; I1185-A1200 HydrophobicContact CG2-CB 4.46Å; R1187-A1200 WeakPolarHBondContact O-CA 3.33Å; L1188-A1200 HydrophobicContact CD2-CB 3.76Å; A1200-F1202 HydrophobicContact CB-CE2 3.78Å; A1200-F1202 HydrophobicContact CB-CZ 3.66Å; A1200-F1202 WeakPolarHBondContact O-CE2 3.48Å; A1200-V1208 CarbonylContact O-C 3.43Å; A1200-V1208 WeakPolarHBondContact O-CA 3.31Å; A1200-S1209 PolarHBondContact N-O 3.2Å; A1200-S1209 PolarHBondContact O-N 3.48Å |
| 1201 | T | 95.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 153.1 | 174.8 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | I1185 L1186 R1187 V1208 V1247 L1250 | I1185-T1201 CarbonylContact C-O 3.48Å; I1185-T1201 WeakPolarHBondContact CA-O 3.31Å; L1186-T1201 PolarHBondContact N-O 3.16Å; R1187-T1201 HydrophobicContact CB-CG2 4.17Å; R1187-T1201 WeakPolarHBondContact CB-OG1 3.49Å; R1187-T1201 PolarHBondContact N-OG1 2.92Å; R1187-T1201 VanDerWaalsContact N-OG1 3.09Å; R1187-T1201 PolarHBondContact O-N 2.95Å; T1201-V1208 HydrophobicContact CG2-CG1 4.26Å; T1201-V1208 HydrophobicContact CG2-CG2 3.96Å; T1201-V1247 VanDerWaalsContact CB-O 3.31Å; T1201-V1247 WeakPolarHBondContact CB-O 3.38Å; T1201-V1247 HydrophobicContact CG2-CB 4.33Å; T1201-V1247 HydrophobicContact CG2-CG1 3.81Å; T1201-V1247 PolarHBondContact OG1-O 2.97Å; T1201-L1250 HydrophobicContact CG2-CB 3.9Å; T1201-L1250 HydrophobicContact CG2-CD1 4.13Å; T1201-L1250 HydrophobicContact CG2-CD2 3.92Å; T1201-L1250 HydrophobicContact CG2-CG 4.2Å |
| 1202 | F | 94.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 166 | -170.7 | -57.4 | -89 | 0 | 0 | 0 | 113.3 | F1163 H1179 I1183 P1184 I1185 A1200 E1207 S1209 W1211 V1247 | F1163-F1202 HydrophobicContact CZ-CE1 4.45Å; F1163-F1202 HydrophobicContact CZ-CZ 4.06Å; H1179-F1202 HydrophobicContact CB-CE1 4.14Å; H1179-F1202 AromaticContact CD2-CD1 3.95Å; H1179-F1202 AromaticContact CD2-CE1 3.38Å; H1179-F1202 WeakPolarHBondContact CD2-CE1 3.37Å; H1179-F1202 AromaticContact CD2-CZ 3.6Å; H1179-F1202 AromaticContact CG-CE1 3.9Å; I1183-F1202 HydrophobicContact CB-CD1 4.19Å; I1183-F1202 HydrophobicContact CG2-CB 3.82Å; I1183-F1202 HydrophobicContact CG2-CD1 4.23Å; I1183-F1202 HydrophobicContact CG2-CG 4.44Å; P1184-F1202 WeakPolarHBondContact O-CA 3.43Å; I1185-F1202 HydrophobicContact CG1-CD1 4.14Å; I1185-F1202 HydrophobicContact CG1-CE1 3.59Å; I1185-F1202 HydrophobicContact CG1-CZ 4.39Å; A1200-F1202 HydrophobicContact CB-CE2 3.78Å; A1200-F1202 HydrophobicContact CB-CZ 3.66Å; A1200-F1202 WeakPolarHBondContact O-CE2 3.48Å; F1202-E1207 HydrophobicContact CB-CB 4.36Å; F1202-E1207 HydrophobicContact CD2-CB 4.02Å; F1202-E1207 HydrophobicContact CD2-CG 3.83Å; F1202-E1207 HydrophobicContact CE2-CG 4.31Å; F1202-E1207 PolarHBondContact N-O 3.33Å; F1202-S1209 WeakPolarHBondContact CE2-OG 3.39Å; F1202-W1211 HydrophobicContact CZ-CZ2 4.21Å; F1202-W1211 AromaticContact CZ-NE1 3.85Å; F1202-V1247 PolarHBondContact O-N 3.44Å; F1202-V1247 VanDerWaalsContact O-N 3.14Å |
| 1203 | V | 88.6 | Confident | 86.2 | Confident | 52 Ų | 52 | 21.5 Ų | 21.5 | 32% | 0.315 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -75.1 | -25.5 | -179.1 | 172.9 | 0 | 0 | 0 | 0 | 113.8 | I1183 P1184 L1186 I1245 A1246 | I1183-V1203 HydrophobicContact CG2-CB 4.47Å; P1184-V1203 HydrophobicContact CB-CB 4.49Å; P1184-V1203 HydrophobicContact CB-CG2 3.69Å; P1184-V1203 HydrophobicContact CG-CB 4.36Å; P1184-V1203 HydrophobicContact CG-CG2 3.93Å; P1184-V1203 PolarHBondContact O-N 3.31Å; L1186-V1203 HydrophobicContact CD1-CG2 3.76Å; L1186-V1203 HydrophobicContact CD2-CG2 3.65Å; L1186-V1203 HydrophobicContact CG-CG2 3.74Å; V1203-I1245 CarbonylContact O-C 3.49Å; V1203-A1246 WeakPolarHBondContact O-CA 3.49Å; V1203-A1246 WeakPolarHBondContact O-CB 3.45Å |
| 1204 | K | 84.4 | Confident | 87.2 | Confident | 56 Ų | 56 | 23.8 Ų | 23.8 | 24% | 0.243 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -111.7 | 147.7 | -173.6 | -70.1 | -166.7 | 176.9 | -168.8 | 0 | 112 | I1183 G1206 E1207 D1234 P1244 I1245 | I1183-K1204 HydrophobicContact CD1-CB 4.34Å; I1183-K1204 HydrophobicContact CG2-CB 4.28Å; I1183-K1204 HydrophobicContact CG2-CG 4.44Å; K1204-G1206 PolarHBondContact O-N 3.18Å; K1204-E1207 PolarHBondContact O-N 2.97Å; K1204-D1234 IonicContact NZ-OD1 3.26Å; K1204-D1234 PolarHBondContact NZ-OD1 3.46Å; K1204-D1234 IonicContact NZ-OD2 3.58Å; K1204-D1234 PolarHBondContact NZ-OD2 2.93Å; K1204-P1244 HydrophobicContact CG-CB 4.41Å; K1204-I1245 CarbonylContact C-O 3.43Å |
| 1205 | Q | 84.3 | Confident | 88.4 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 13.8 | 169.5 | -50.8 | -54 | -19.8 | 0 | 0 | 116.2 | E1207 W1223 P1224 S1225 I1245 | Q1205-E1207 PolarHBondContact O-N 3.48Å; Q1205-W1223 HydrophobicContact CB-CD2 4.5Å; Q1205-W1223 HydrophobicContact CB-CH2 3.64Å; Q1205-W1223 HydrophobicContact CB-CZ2 3.57Å; Q1205-W1223 HydrophobicContact CB-CZ3 4.14Å; Q1205-W1223 HydrophobicContact CG-CH2 3.69Å; Q1205-W1223 HydrophobicContact CG-CZ2 3.6Å; Q1205-P1224 WeakPolarHBondContact O-CD 3.36Å; Q1205-S1225 VanDerWaalsContact OE1-CB 3.23Å; Q1205-S1225 PolarHBondContact OE1-OG 3.5Å; Q1205-I1245 PolarHBondContact N-O 3.25Å |
| 1206 | G | 86 | Confident | 89.4 | Confident | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 23.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1204 V1208 P1224 I1245 V1247 | K1204-G1206 PolarHBondContact O-N 3.18Å; G1206-V1208 PolarHBondContact O-N 2.86Å; G1206-P1224 WeakPolarHBondContact O-CD 3.01Å; G1206-P1224 VanDerWaalsContact O-CG 3.27Å; G1206-P1224 WeakPolarHBondContact O-CG 3.26Å; G1206-I1245 WeakPolarHBondContact CA-O 3.44Å; G1206-I1245 PolarHBondContact N-O 3.12Å; G1206-V1247 WeakPolarHBondContact O-CG2 3.34Å |
| 1207 | E | 91.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -63.3 | 132.4 | -174.6 | -177.4 | -176.7 | 168.9 | 0 | 0 | 111.6 | H1179 F1202 K1204 Q1205 S1209 R1218 I1222 W1223 Y1232 | H1179-E1207 IonicContact CE1-OE2 3.51Å; H1179-E1207 IonicContact NE2-OE1 2.69Å; H1179-E1207 PolarHBondContact NE2-OE1 3.42Å; H1179-E1207 IonicContact NE2-OE2 3.2Å; H1179-E1207 PolarHBondContact NE2-OE2 2.98Å; F1202-E1207 HydrophobicContact CB-CB 4.36Å; F1202-E1207 HydrophobicContact CD2-CB 4.02Å; F1202-E1207 HydrophobicContact CD2-CG 3.83Å; F1202-E1207 HydrophobicContact CE2-CG 4.31Å; F1202-E1207 PolarHBondContact N-O 3.33Å; K1204-E1207 PolarHBondContact O-N 2.97Å; Q1205-E1207 PolarHBondContact O-N 3.48Å; E1207-S1209 WeakPolarHBondContact OE1-CB 3.38Å; E1207-S1209 PolarHBondContact OE1-OG 3.37Å; E1207-R1218 IonicContact OE1-CZ 3.88Å; E1207-R1218 IonicContact OE1-NH1 3.94Å; E1207-R1218 PolarHBondContact OE1-NH1 2.97Å; E1207-R1218 IonicContact OE2-NH1 2.72Å; E1207-I1222 WeakPolarHBondContact CA-O 3.43Å; E1207-W1223 HydrophobicContact CB-CE3 4.23Å; E1207-W1223 HydrophobicContact CB-CZ3 4.16Å; E1207-W1223 HydrophobicContact CG-CE3 4.27Å; E1207-W1223 HydrophobicContact CG-CZ3 4.29Å; E1207-Y1232 WeakPolarHBondContact OE2-CE1 3.35Å; E1207-Y1232 PolarHBondContact OE2-OH 3.3Å | ||
| 1208 | V | 93.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.3 | 162.5 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | A1200 T1201 G1206 A1221 I1222 V1247 L1250 T1265 | A1200-V1208 CarbonylContact O-C 3.43Å; A1200-V1208 WeakPolarHBondContact O-CA 3.31Å; T1201-V1208 HydrophobicContact CG2-CG1 4.26Å; T1201-V1208 HydrophobicContact CG2-CG2 3.96Å; G1206-V1208 PolarHBondContact O-N 2.86Å; V1208-A1221 CarbonylContact O-C 3.59Å; V1208-A1221 WeakPolarHBondContact O-CA 3.41Å; V1208-I1222 HydrophobicContact CB-CB 4.26Å; V1208-I1222 HydrophobicContact CB-CD1 4.33Å; V1208-I1222 PolarHBondContact N-O 3.17Å; V1208-I1222 VanDerWaalsContact N-O 3.15Å; V1208-I1222 PolarHBondContact O-N 2.82Å; V1208-V1247 HydrophobicContact CG2-CB 4.21Å; V1208-V1247 HydrophobicContact CG2-CG1 3.93Å; V1208-V1247 HydrophobicContact CG2-CG2 4.08Å; V1208-L1250 HydrophobicContact CG1-CD1 4.03Å; V1208-T1265 HydrophobicContact CG2-CG2 3.75Å |
| 1209 | S | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.9 | -175.8 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | L1199 A1200 F1202 E1207 W1211 R1218 Y1220 | L1199-S1209 CarbonylContact C-O 3.58Å; L1199-S1209 WeakPolarHBondContact CA-O 3.4Å; A1200-S1209 PolarHBondContact N-O 3.2Å; A1200-S1209 PolarHBondContact O-N 3.48Å; F1202-S1209 WeakPolarHBondContact CE2-OG 3.39Å; E1207-S1209 WeakPolarHBondContact OE1-CB 3.38Å; E1207-S1209 PolarHBondContact OE1-OG 3.37Å; S1209-W1211 VanDerWaalsContact O-CD1 3.3Å; S1209-W1211 PolarHBondContact OG-NE1 3.5Å; S1209-R1218 VanDerWaalsContact CB-CD 3.45Å; S1209-Y1220 CarbonylContact C-O 3.54Å; S1209-Y1220 WeakPolarHBondContact CA-O 3.37Å; S1209-Y1220 WeakPolarHBondContact CB-O 3.35Å |
| 1210 | E | 91.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127 | 179.5 | -170.1 | -179.3 | 139.8 | 0 | 0 | 110.1 | V1191 R1197 V1198 L1199 R1218 H1219 Y1220 | V1191-E1210 HydrophobicContact CG2-CG 4.07Å; R1197-E1210 HydrophobicContact CB-CG 4.35Å; R1197-E1210 WeakPolarHBondContact CD-OE1 3.48Å; R1197-E1210 IonicContact CZ-OE1 3.22Å; R1197-E1210 IonicContact NE-OE1 3.79Å; R1197-E1210 IonicContact NH1-OE1 2.72Å; R1197-E1210 PolarHBondContact NH1-OE1 3.16Å; V1198-E1210 CarbonylContact O-C 3.45Å; V1198-E1210 WeakPolarHBondContact O-CA 3.46Å; L1199-E1210 HydrophobicContact CD2-CB 3.93Å; L1199-E1210 HydrophobicContact CD2-CG 4.31Å; E1210-R1218 CarbonylContact O-C 3.6Å; E1210-R1218 WeakPolarHBondContact O-CA 3.42Å; E1210-H1219 PolarHBondContact O-N 3.41Å; E1210-Y1220 PolarHBondContact N-O 2.99Å |
| 1211 | W | 93 | Very high | 88.9 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.7 | -175.4 | -60.6 | 78.4 | 0 | 0 | 0 | 110 | F1163 F1177 H1179 R1197 V1198 F1202 S1209 R1218 | F1163-W1211 HydrophobicContact CE1-CG 4.31Å; F1163-W1211 HydrophobicContact CE2-CD2 4.1Å; F1163-W1211 HydrophobicContact CE2-CE3 4.38Å; F1163-W1211 HydrophobicContact CE2-CZ2 4.33Å; F1163-W1211 AromaticContact CZ-CD1 3.86Å; F1163-W1211 AromaticContact CZ-CD2 3.95Å; F1163-W1211 HydrophobicContact CZ-CD2 3.95Å; F1163-W1211 AromaticContact CZ-CE2 3.82Å; F1163-W1211 HydrophobicContact CZ-CG 4Å; F1163-W1211 HydrophobicContact CZ-CZ2 4.44Å; F1163-W1211 AromaticContact CZ-NE1 3.76Å; F1177-W1211 HydrophobicContact CD2-CE3 4.08Å; F1177-W1211 HydrophobicContact CD2-CZ3 4.48Å; F1177-W1211 HydrophobicContact CE2-CB 4.23Å; F1177-W1211 HydrophobicContact CE2-CD2 4.29Å; F1177-W1211 AromaticContact CE2-CE3 3.83Å; F1177-W1211 HydrophobicContact CE2-CE3 3.83Å; F1177-W1211 HydrophobicContact CE2-CG 4.47Å; H1179-W1211 AromaticContact CD2-CZ2 3.73Å; R1197-W1211 CarbonylContact C-O 3.47Å; R1197-W1211 VanDerWaalsContact CA-O 3.3Å; R1197-W1211 WeakPolarHBondContact CA-O 3.5Å; V1198-W1211 HydrophobicContact CG2-CB 3.94Å; V1198-W1211 PolarHBondContact N-O 3.29Å; V1198-W1211 PolarHBondContact O-N 2.95Å; F1202-W1211 HydrophobicContact CZ-CZ2 4.21Å; F1202-W1211 AromaticContact CZ-NE1 3.85Å; S1209-W1211 VanDerWaalsContact O-CD1 3.3Å; S1209-W1211 PolarHBondContact OG-NE1 3.5Å; W1211-R1218 HydrophobicContact CD2-CB 4.1Å; W1211-R1218 HydrophobicContact CD2-CG 4.43Å; W1211-R1218 HydrophobicContact CE3-CB 3.93Å; W1211-R1218 HydrophobicContact CH2-CB 3.75Å; W1211-R1218 HydrophobicContact CH2-CG 4.31Å; W1211-R1218 HydrophobicContact CZ2-CB 3.92Å; W1211-R1218 HydrophobicContact CZ2-CG 3.99Å; W1211-R1218 HydrophobicContact CZ3-CB 3.77Å |
| 1212 | D | 88.7 | Confident | 88.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 121.2 | 169.9 | 171.8 | 16.1 | 0 | 0 | 0 | 109.5 | R957 E1214 S1215 G1216 I1217 | R957-D1212 IonicContact NH2-OD2 2.63Å; D1212-E1214 VanDerWaalsContact C-N 3.26Å; D1212-E1214 PolarHBondContact O-N 3.06Å; D1212-E1214 WeakPolarHBondContact OD1-CB 2.85Å; D1212-E1214 PolarHBondContact OD1-N 3.42Å; D1212-S1215 WeakPolarHBondContact CB-OG 3.44Å; D1212-S1215 VanDerWaalsContact CG-OG 3.22Å; D1212-S1215 WeakPolarHBondContact OD2-CB 3.43Å; D1212-S1215 PolarHBondContact OD2-OG 3.13Å; D1212-G1216 WeakPolarHBondContact O-CA 3.23Å; D1212-G1216 PolarHBondContact O-N 2.94Å; D1212-I1217 PolarHBondContact N-O 2.85Å |
| 1213 | L | 88.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -24.7 | -179.1 | -60.7 | 179.9 | 0 | 0 | 0 | 112.8 | W1153 L1155 L1165 R1175 F1177 S1196 V1198 | W1153-L1213 HydrophobicContact CD2-CD1 4.31Å; W1153-L1213 HydrophobicContact CE3-CD1 4.11Å; W1153-L1213 HydrophobicContact CH2-CD1 3.88Å; W1153-L1213 HydrophobicContact CZ2-CD1 4.05Å; W1153-L1213 HydrophobicContact CZ3-CD1 3.91Å; L1155-L1213 HydrophobicContact CD1-CD2 3.87Å; L1155-L1213 HydrophobicContact CD2-CD2 3.64Å; L1155-L1213 HydrophobicContact CG-CD2 4.37Å; L1165-L1213 HydrophobicContact CD1-CD1 4.02Å; L1165-L1213 HydrophobicContact CD2-CB 4.25Å; R1175-L1213 VanDerWaalsContact CD-O 3.25Å; R1175-L1213 WeakPolarHBondContact CD-O 3.46Å; F1177-L1213 HydrophobicContact CE1-CD2 4.21Å; F1177-L1213 HydrophobicContact CZ-CD2 3.93Å; S1196-L1213 VanDerWaalsContact O-CB 3.25Å; S1196-L1213 WeakPolarHBondContact O-CB 3.34Å; S1196-L1213 WeakPolarHBondContact O-CG 3.43Å; S1196-L1213 PolarHBondContact O-N 2.95Å; V1198-L1213 HydrophobicContact CG1-CD1 3.87Å; V1198-L1213 HydrophobicContact CG1-CD2 4Å; V1198-L1213 HydrophobicContact CG1-CG 4.07Å; V1198-L1213 HydrophobicContact CG2-CD2 3.69Å; V1198-L1213 HydrophobicContact CG2-CG 4.35Å |
| 1214 | E | 84.9 | Confident | 88 | Confident | 96 Ų | 96 | 22.4 Ų | 22.4 | 45% | 0.449 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -38 | -179.7 | -67.2 | 171.3 | -172.8 | 0 | 0 | 112.1 | R957 R1175 S1196 D1212 | R957-E1214 IonicContact CZ-OE2 3.81Å; R957-E1214 IonicContact NE-OE2 2.63Å; R957-E1214 IonicContact NH2-OE2 3.84Å; R957-E1214 PolarHBondContact NH2-OE2 3.01Å; R957-E1214 VanDerWaalsContact NH2-OE2 3.14Å; R1175-E1214 PolarHBondContact NH1-O 3.01Å; R1175-E1214 PolarHBondContact NH2-O 3.14Å; S1196-E1214 WeakPolarHBondContact CB-OE1 3.29Å; S1196-E1214 PolarHBondContact OG-OE1 3.39Å; D1212-E1214 VanDerWaalsContact C-N 3.26Å; D1212-E1214 PolarHBondContact O-N 3.06Å; D1212-E1214 WeakPolarHBondContact OD1-CB 2.85Å; D1212-E1214 PolarHBondContact OD1-N 3.42Å |
| 1215 | S | 84.5 | Confident | 87.8 | Confident | 38 Ų | 38 | 20.2 Ų | 20.2 | 27% | 0.266 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -23.1 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 113 | R1175 D1212 I1217 | R1175-S1215 PolarHBondContact NH2-O 2.7Å; D1212-S1215 WeakPolarHBondContact CB-OG 3.44Å; D1212-S1215 VanDerWaalsContact CG-OG 3.22Å; D1212-S1215 WeakPolarHBondContact OD2-CB 3.43Å; D1212-S1215 PolarHBondContact OD2-OG 3.13Å; S1215-I1217 PolarHBondContact O-N 3.39Å; S1215-I1217 WeakPolarHBondContact OG-CB 3.24Å; S1215-I1217 PolarHBondContact OG-N 3.47Å |
| 1216 | G | 87.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 24.7 Ų | 24.7 | 17% | 0.165 | 13% | 0.13 | C | C | . | . | trans | 71.3 | 10.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1212 | D1212-G1216 WeakPolarHBondContact O-CA 3.23Å; D1212-G1216 PolarHBondContact O-N 2.94Å | ||
| 1217 | I | 87.6 | Confident | 86.8 | Confident | 98 Ų | 98 | 26.2 Ų | 26.2 | 50% | 0.503 | 14% | 0.138 | S | C | . | . | trans | -87.5 | 139.5 | -175.5 | -62.3 | 173.5 | 0 | 0 | 0 | 109.8 | D1212 S1215 H1219 | D1212-I1217 PolarHBondContact N-O 2.85Å; S1215-I1217 PolarHBondContact O-N 3.39Å; S1215-I1217 WeakPolarHBondContact OG-CB 3.24Å; S1215-I1217 PolarHBondContact OG-N 3.47Å; I1217-H1219 PolarHBondContact O-N 2.71Å | ||
| 1218 | R | 89.8 | Confident | 86.3 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 109.7 | 169.4 | -174.3 | 175.6 | 59.2 | -172 | -3.7 | 110.3 | E1207 S1209 E1210 W1211 L1230 Y1232 T1306 | E1207-R1218 IonicContact OE1-CZ 3.88Å; E1207-R1218 IonicContact OE1-NH1 3.94Å; E1207-R1218 PolarHBondContact OE1-NH1 2.97Å; E1207-R1218 IonicContact OE2-NH1 2.72Å; S1209-R1218 VanDerWaalsContact CB-CD 3.45Å; E1210-R1218 CarbonylContact O-C 3.6Å; E1210-R1218 WeakPolarHBondContact O-CA 3.42Å; W1211-R1218 HydrophobicContact CD2-CB 4.1Å; W1211-R1218 HydrophobicContact CD2-CG 4.43Å; W1211-R1218 HydrophobicContact CE3-CB 3.93Å; W1211-R1218 HydrophobicContact CH2-CB 3.75Å; W1211-R1218 HydrophobicContact CH2-CG 4.31Å; W1211-R1218 HydrophobicContact CZ2-CB 3.92Å; W1211-R1218 HydrophobicContact CZ2-CG 3.99Å; W1211-R1218 HydrophobicContact CZ3-CB 3.77Å; R1218-L1230 VanDerWaalsContact NH2-CD1 3.33Å; R1218-Y1232 PolarHBondContact NH1-OH 2.85Å; R1218-T1306 HydrophobicContact CG-CG2 3.91Å; R1218-T1306 PolarHBondContact O-OG1 3.22Å |
| 1219 | H | 83.7 | Confident | 85.8 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 26% | 0.259 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -41.5 | 180 | -84.1 | -79.4 | 0 | 0 | 0 | 112.7 | E1210 I1217 H1307 | E1210-H1219 PolarHBondContact O-N 3.41Å; I1217-H1219 PolarHBondContact O-N 2.71Å; H1219-H1307 WeakPolarHBondContact O-CB 3.27Å; H1219-H1307 PolarHBondContact O-CD2 3.48Å; H1219-H1307 PolarHBondContact O-N 3.46Å |
| 1220 | Y | 86.2 | Confident | 85.4 | Confident | 32 Ų | 32 | 32.6 Ų | 32.6 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.6 | -170.5 | -163.5 | -88 | 0 | 0 | 0 | 110.9 | S1209 E1210 I1222 L1277 H1307 V1309 | S1209-Y1220 CarbonylContact C-O 3.54Å; S1209-Y1220 WeakPolarHBondContact CA-O 3.37Å; S1209-Y1220 WeakPolarHBondContact CB-O 3.35Å; E1210-Y1220 PolarHBondContact N-O 2.99Å; Y1220-I1222 HydrophobicContact CD1-CG1 4.43Å; Y1220-I1222 HydrophobicContact CE1-CG1 3.96Å; Y1220-L1277 HydrophobicContact CE1-CD1 4.28Å; Y1220-L1277 HydrophobicContact CE1-CD2 3.92Å; Y1220-L1277 WeakPolarHBondContact OH-CD2 3.29Å; Y1220-H1307 CarbonylContact C-O 3.57Å; Y1220-H1307 VanDerWaalsContact CA-O 3.26Å; Y1220-H1307 WeakPolarHBondContact CA-O 3.43Å; Y1220-H1307 HydrophobicContact CD2-CB 3.6Å; Y1220-H1307 HydrophobicContact CE2-CB 4.19Å; Y1220-H1307 HydrophobicContact CG-CB 4.39Å; Y1220-V1309 HydrophobicContact CE1-CG2 4.16Å; Y1220-V1309 HydrophobicContact CE2-CG2 4.24Å; Y1220-V1309 WeakPolarHBondContact OH-CG2 3.13Å |
| 1221 | A | 91 | Very high | 85 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 131.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1208 L1230 T1306 H1307 V1308 V1309 | V1208-A1221 CarbonylContact O-C 3.59Å; V1208-A1221 WeakPolarHBondContact O-CA 3.41Å; A1221-L1230 HydrophobicContact CB-CD2 4.13Å; A1221-T1306 HydrophobicContact CB-CG2 4.02Å; A1221-H1307 PolarHBondContact N-O 3.05Å; A1221-V1308 HydrophobicContact CB-CG1 4.37Å; A1221-V1308 HydrophobicContact CB-CG2 4.43Å; A1221-V1308 CarbonylContact O-C 3.48Å; A1221-V1308 WeakPolarHBondContact O-CA 3.3Å; A1221-V1309 PolarHBondContact O-N 3.45Å |
| 1222 | I | 90.6 | Very high | 84.4 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.3 | 166.8 | -54.6 | 174.7 | 0 | 0 | 0 | 107 | E1207 V1208 Y1220 V1263 W1275 L1277 | E1207-I1222 WeakPolarHBondContact CA-O 3.43Å; V1208-I1222 HydrophobicContact CB-CB 4.26Å; V1208-I1222 HydrophobicContact CB-CD1 4.33Å; V1208-I1222 PolarHBondContact N-O 3.17Å; V1208-I1222 VanDerWaalsContact N-O 3.15Å; V1208-I1222 PolarHBondContact O-N 2.82Å; Y1220-I1222 HydrophobicContact CD1-CG1 4.43Å; Y1220-I1222 HydrophobicContact CE1-CG1 3.96Å; I1222-V1263 HydrophobicContact CD1-CB 4.48Å; I1222-V1263 HydrophobicContact CD1-CG1 4.48Å; I1222-W1275 HydrophobicContact CD1-CB 4.22Å; I1222-W1275 HydrophobicContact CD1-CD2 4.33Å; I1222-W1275 HydrophobicContact CD1-CG 4.06Å; I1222-W1275 HydrophobicContact CG2-CD2 3.72Å; I1222-W1275 HydrophobicContact CG2-CE3 3.7Å; I1222-W1275 HydrophobicContact CG2-CG 4.49Å; I1222-W1275 HydrophobicContact CG2-CH2 3.53Å; I1222-W1275 HydrophobicContact CG2-CZ2 3.55Å; I1222-W1275 HydrophobicContact CG2-CZ3 3.59Å; I1222-L1277 HydrophobicContact CD1-CD1 4.43Å; I1222-L1277 HydrophobicContact CD1-CD2 3.88Å; I1222-L1277 HydrophobicContact CG1-CD2 4.2Å |
| 1223 | W | 88.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 83.2 | -173.7 | -166 | -90 | 0 | 0 | 0 | 110.3 | Q1205 E1207 S1225 L1227 L1230 S1231 Y1232 V1308 V1309 Y1310 | Q1205-W1223 HydrophobicContact CB-CD2 4.5Å; Q1205-W1223 HydrophobicContact CB-CH2 3.64Å; Q1205-W1223 HydrophobicContact CB-CZ2 3.57Å; Q1205-W1223 HydrophobicContact CB-CZ3 4.14Å; Q1205-W1223 HydrophobicContact CG-CH2 3.69Å; Q1205-W1223 HydrophobicContact CG-CZ2 3.6Å; E1207-W1223 HydrophobicContact CB-CE3 4.23Å; E1207-W1223 HydrophobicContact CB-CZ3 4.16Å; E1207-W1223 HydrophobicContact CG-CE3 4.27Å; E1207-W1223 HydrophobicContact CG-CZ3 4.29Å; W1223-S1225 PolarHBondContact O-N 3.31Å; W1223-L1227 PolarHBondContact NE1-O 2.69Å; W1223-L1227 VanDerWaalsContact NE1-O 3.12Å; W1223-L1230 HydrophobicContact CE3-CD2 4.06Å; W1223-L1230 HydrophobicContact CZ3-CD2 4.15Å; W1223-S1231 WeakPolarHBondContact CH2-O 3.49Å; W1223-S1231 WeakPolarHBondContact CZ2-O 3.4Å; W1223-Y1232 AromaticContact CH2-CD1 3.68Å; W1223-Y1232 HydrophobicContact CH2-CD1 3.68Å; W1223-Y1232 AromaticContact CH2-CE1 3.43Å; W1223-Y1232 HydrophobicContact CH2-CE1 3.43Å; W1223-Y1232 VanDerWaalsContact CH2-CE1 3.43Å; W1223-Y1232 HydrophobicContact CZ3-CD1 4.24Å; W1223-Y1232 AromaticContact CZ3-CE1 3.53Å; W1223-Y1232 HydrophobicContact CZ3-CE1 3.53Å; W1223-V1308 HydrophobicContact CB-CG1 3.74Å; W1223-V1309 PolarHBondContact N-O 3.03Å; W1223-Y1310 VanDerWaalsContact O-CA 3.32Å; W1223-Y1310 WeakPolarHBondContact O-CA 3.26Å |
| 1224 | P | 80.6 | Confident | 82.2 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.078 | 25% | 0.25 | C | S | . | . | trans | -75.8 | -5.7 | -178.4 | 31.8 | -36 | 0 | 0 | 0 | 113.7 | Q1205 G1206 W1275 C1311 | Q1205-P1224 WeakPolarHBondContact O-CD 3.36Å; G1206-P1224 WeakPolarHBondContact O-CD 3.01Å; G1206-P1224 VanDerWaalsContact O-CG 3.27Å; G1206-P1224 WeakPolarHBondContact O-CG 3.26Å; P1224-W1275 HydrophobicContact CB-CH2 3.93Å; P1224-W1275 HydrophobicContact CB-CZ2 3.99Å; P1224-C1311 PolarHBondContact O-SG 3.45Å | ||
| 1225 | S | 79.5 | Confident | 80.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -70.9 | 145.2 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | Q1205 W1223 L1227 | Q1205-S1225 VanDerWaalsContact OE1-CB 3.23Å; Q1205-S1225 PolarHBondContact OE1-OG 3.5Å; W1223-S1225 PolarHBondContact O-N 3.31Å; S1225-L1227 PolarHBondContact OG-N 2.9Å |
| 1226 | D | 72 | Confident | 78.9 | Confident | 108 Ų | 108 | 49 Ų | 49 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.8 | -10.9 | 171.9 | 58.4 | -27.5 | 0 | 0 | 0 | 112.7 | R1235 | D1226-R1235 IonicContact OD1-CZ 2.83Å; D1226-R1235 IonicContact OD1-NH1 3.91Å; D1226-R1235 PolarHBondContact OD1-NH1 3.16Å; D1226-R1235 VanDerWaalsContact OD1-NH1 3.13Å; D1226-R1235 IonicContact OD1-NH2 3.64Å; D1226-R1235 PolarHBondContact OD1-NH2 2.89Å; D1226-R1235 IonicContact OD2-CZ 3.62Å; D1226-R1235 IonicContact OD2-NH1 3.29Å; D1226-R1235 PolarHBondContact OD2-NH1 2.87Å; D1226-R1235 VanDerWaalsContact OD2-NH1 3.1Å; D1226-R1235 IonicContact OD2-NH2 3.74Å; D1226-R1235 PolarHBondContact OD2-NH2 3.06Å |
| 1227 | L | 77.4 | Confident | 77 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -67.3 | 154.9 | 169.1 | -70.6 | 179.2 | 0 | 0 | 0 | 111.3 | W1223 S1225 S1231 R1235 | W1223-L1227 PolarHBondContact NE1-O 2.69Å; W1223-L1227 VanDerWaalsContact NE1-O 3.12Å; S1225-L1227 PolarHBondContact OG-N 2.9Å; L1227-S1231 WeakPolarHBondContact CB-OG 3.43Å; L1227-R1235 HydrophobicContact CD1-CG 4.35Å; L1227-R1235 HydrophobicContact CD2-CG 4.47Å |
| 1228 | P | 81.2 | Confident | 74.9 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -47.1 | 136.8 | 173.7 | -28.1 | 34.9 | 0 | 0 | 0 | 111.8 | L1230 S1231 | P1228-L1230 PolarHBondContact O-N 3.4Å; P1228-S1231 VanDerWaalsContact O-CB 3.25Å; P1228-S1231 WeakPolarHBondContact O-CB 2.96Å; P1228-S1231 PolarHBondContact O-N 3.33Å; P1228-S1231 PolarHBondContact O-OG 3.05Å |
| 1229 | P | 82 | Confident | 72.5 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 132.9 | -179 | -29.9 | 35.5 | 0 | 0 | 0 | 112.4 | S1231 V1303 V1308 Y1310 | P1229-S1231 PolarHBondContact O-N 2.84Å; P1229-V1303 HydrophobicContact CB-CG2 4.21Å; P1229-V1308 HydrophobicContact CB-CB 4.29Å; P1229-V1308 HydrophobicContact CB-CG1 3.79Å; P1229-Y1310 HydrophobicContact CG-CD1 4Å; P1229-Y1310 HydrophobicContact CG-CD2 4.41Å; P1229-Y1310 HydrophobicContact CG-CG 3.93Å |
| 1230 | L | 84.6 | Confident | 70.6 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 20 | -179.6 | -47.7 | 178.5 | 0 | 0 | 0 | 115 | R1218 A1221 W1223 P1228 Y1232 V1303 V1308 | R1218-L1230 VanDerWaalsContact NH2-CD1 3.33Å; A1221-L1230 HydrophobicContact CB-CD2 4.13Å; W1223-L1230 HydrophobicContact CE3-CD2 4.06Å; W1223-L1230 HydrophobicContact CZ3-CD2 4.15Å; P1228-L1230 PolarHBondContact O-N 3.4Å; L1230-Y1232 WeakPolarHBondContact O-CD2 3.49Å; L1230-Y1232 WeakPolarHBondContact O-CE2 3.2Å; L1230-V1303 HydrophobicContact CD1-CB 3.91Å; L1230-V1303 HydrophobicContact CD1-CG1 3.92Å; L1230-V1308 HydrophobicContact CD1-CG2 3.83Å; L1230-V1308 HydrophobicContact CD2-CG2 4.15Å; L1230-V1308 HydrophobicContact CG-CG2 3.91Å |
| 1231 | S | 81.7 | Confident | 68.5 | Low | 19 Ų | 19 | 67.7 Ų | 67.7 | 13% | 0.133 | 37% | 0.369 | C | S | . | . | trans | -91.8 | 123.7 | 171.9 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | W1223 L1227 P1228 P1229 | W1223-S1231 WeakPolarHBondContact CH2-O 3.49Å; W1223-S1231 WeakPolarHBondContact CZ2-O 3.4Å; L1227-S1231 WeakPolarHBondContact CB-OG 3.43Å; P1228-S1231 VanDerWaalsContact O-CB 3.25Å; P1228-S1231 WeakPolarHBondContact O-CB 2.96Å; P1228-S1231 PolarHBondContact O-N 3.33Å; P1228-S1231 PolarHBondContact O-OG 3.05Å; P1229-S1231 PolarHBondContact O-N 2.84Å | ||
| 1232 | Y | 81.5 | Confident | 66.7 | Low | 45 Ų | 45 | 70.8 Ų | 70.8 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | trans | -109.4 | 18 | -175.7 | -50.6 | -75.8 | 0 | 0 | 0 | 113.2 | H1179 A1181 I1183 E1207 R1218 W1223 L1230 | H1179-Y1232 AromaticContact CE1-CE1 3.77Å; H1179-Y1232 AromaticContact CE1-CZ 3.57Å; H1179-Y1232 PolarHBondContact CE1-OH 3.44Å; A1181-Y1232 HydrophobicContact CB-CD1 4.22Å; A1181-Y1232 HydrophobicContact CB-CD2 3.34Å; A1181-Y1232 HydrophobicContact CB-CE1 4.48Å; A1181-Y1232 HydrophobicContact CB-CE2 3.69Å; A1181-Y1232 HydrophobicContact CB-CG 3.62Å; I1183-Y1232 HydrophobicContact CD1-CD1 3.18Å; I1183-Y1232 HydrophobicContact CD1-CE1 3.34Å; I1183-Y1232 HydrophobicContact CD1-CG 3.93Å; E1207-Y1232 WeakPolarHBondContact OE2-CE1 3.35Å; E1207-Y1232 PolarHBondContact OE2-OH 3.3Å; R1218-Y1232 PolarHBondContact NH1-OH 2.85Å; W1223-Y1232 AromaticContact CH2-CD1 3.68Å; W1223-Y1232 HydrophobicContact CH2-CD1 3.68Å; W1223-Y1232 AromaticContact CH2-CE1 3.43Å; W1223-Y1232 HydrophobicContact CH2-CE1 3.43Å; W1223-Y1232 VanDerWaalsContact CH2-CE1 3.43Å; W1223-Y1232 HydrophobicContact CZ3-CD1 4.24Å; W1223-Y1232 AromaticContact CZ3-CE1 3.53Å; W1223-Y1232 HydrophobicContact CZ3-CE1 3.53Å; L1230-Y1232 WeakPolarHBondContact O-CD2 3.49Å; L1230-Y1232 WeakPolarHBondContact O-CE2 3.2Å | ||
| 1233 | H | 69.1 | Low | 65.4 | Low | 148 Ų | 148 | 79.6 Ų | 79.6 | 69% | 0.685 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.9 | 177.2 | -61.1 | -64.9 | 0 | 0 | 0 | 110 | R1235 | H1233-R1235 PolarHBondContact O-N 3.25Š|
| 1234 | D | 61.3 | Low | 64.5 | Low | 119 Ų | 119 | 82.3 Ų | 82.3 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -73 | 127.4 | 174.1 | -71.3 | -39.7 | 0 | 0 | 0 | 108.8 | K1204 | K1204-D1234 IonicContact NZ-OD1 3.26Å; K1204-D1234 PolarHBondContact NZ-OD1 3.46Å; K1204-D1234 IonicContact NZ-OD2 3.58Å; K1204-D1234 PolarHBondContact NZ-OD2 2.93Å |
| 1235 | R | 53.5 | Low | 64.6 | Low | 75 Ų | 75 | 84 Ų | 84 | 28% | 0.283 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 138.5 | 172.9 | -72.3 | -177.9 | 168.4 | -166.2 | -16.9 | 108.4 | D1226 L1227 H1233 S1237 N1242 | D1226-R1235 IonicContact OD1-CZ 2.83Å; D1226-R1235 IonicContact OD1-NH1 3.91Å; D1226-R1235 PolarHBondContact OD1-NH1 3.16Å; D1226-R1235 VanDerWaalsContact OD1-NH1 3.13Å; D1226-R1235 IonicContact OD1-NH2 3.64Å; D1226-R1235 PolarHBondContact OD1-NH2 2.89Å; D1226-R1235 IonicContact OD2-CZ 3.62Å; D1226-R1235 IonicContact OD2-NH1 3.29Å; D1226-R1235 PolarHBondContact OD2-NH1 2.87Å; D1226-R1235 VanDerWaalsContact OD2-NH1 3.1Å; D1226-R1235 IonicContact OD2-NH2 3.74Å; D1226-R1235 PolarHBondContact OD2-NH2 3.06Å; L1227-R1235 HydrophobicContact CD1-CG 4.35Å; L1227-R1235 HydrophobicContact CD2-CG 4.47Å; H1233-R1235 PolarHBondContact O-N 3.25Å; R1235-S1237 PolarHBondContact O-N 3.48Å; R1235-N1242 PolarHBondContact NH1-ND2 2.97Å; R1235-N1242 PolarHBondContact NH1-OD1 3.34Å |
| 1236 | S | 48 | Very low | 65.1 | Low | 94 Ų | 94 | 84 Ų | 84 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 131.7 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | E1238 | S1236-E1238 PolarHBondContact O-N 2.64Š|
| 1237 | S | 48.1 | Very low | 66 | Low | 127 Ų | 127 | 79 Ų | 79 | 89% | 0.888 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 18.9 | -161.7 | -41.5 | 0 | 0 | 0 | 0 | 116.5 | R1235 | R1235-S1237 PolarHBondContact O-N 3.48Š|
| 1238 | E | 42.7 | Very low | 66.7 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24.6 | -165.6 | -61.9 | -168.3 | 139.2 | 0 | 0 | 114.4 | T816 S1236 | T816-E1238 WeakPolarHBondContact CA-OE1 3.48Å; T816-E1238 WeakPolarHBondContact CB-OE1 3.48Å; T816-E1238 WeakPolarHBondContact CG2-OE1 3.33Å; S1236-E1238 PolarHBondContact O-N 2.64Å |
| 1239 | N | 39.5 | Very low | 67.2 | Low | 112 Ų | 112 | 74.2 Ų | 74.2 | 60% | 0.599 | 39% | 0.388 | S | S | * | . | trans | -110.7 | 103.1 | -177.3 | -76.4 | -27.1 | 0 | 0 | 0 | 111.6 | E1241 N1242 | N1239-E1241 PolarHBondContact O-N 2.92Å; N1239-N1242 HydrophobicContact CB-CB 4.16Å; N1239-N1242 PolarHBondContact O-N 3.39Å | ||
| 1240 | V | 43.3 | Very low | 67.7 | Low | 100 Ų | 100 | 73.2 Ų | 73.2 | 61% | 0.606 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -55.4 | -29.9 | 175 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | V819 N1242 | V819-V1240 HydrophobicContact CB-CG2 4.41Å; V819-V1240 HydrophobicContact CG1-CG2 4.15Å; V819-V1240 HydrophobicContact CG2-CG2 4.28Å; V1240-N1242 PolarHBondContact O-N 3.14Å |
| 1241 | E | 43.4 | Very low | 67.9 | Low | 190 Ų | 190 | 72.3 Ų | 72.3 | 89% | 0.888 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.7 | 176.2 | -66.8 | -170.9 | 157.3 | 0 | 0 | 113.7 | N1239 | N1239-E1241 PolarHBondContact O-N 2.92Š|
| 1242 | N | 52.5 | Low | 68.3 | Low | 65 Ų | 65 | 71.8 Ų | 71.8 | 35% | 0.348 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -116.7 | 34.2 | -170.3 | -78.5 | -23.1 | 0 | 0 | 0 | 113.9 | R1235 N1239 V1240 | R1235-N1242 PolarHBondContact NH1-ND2 2.97Å; R1235-N1242 PolarHBondContact NH1-OD1 3.34Å; N1239-N1242 HydrophobicContact CB-CB 4.16Å; N1239-N1242 PolarHBondContact O-N 3.39Å; V1240-N1242 PolarHBondContact O-N 3.14Å |
| 1243 | R | 63.6 | Low | 68.5 | Low | 188 Ų | 188 | 69.8 Ų | 69.8 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 142.6 | 171.7 | -174.8 | -177.6 | 170 | 172.2 | -3.3 | 110.9 | I1245 | R1243-I1245 PolarHBondContact O-N 3.46Š|
| 1244 | P | 69.7 | Low | 68.9 | Low | 57 Ų | 57 | 64 Ų | 64 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.8 | 172.4 | 23 | -34.2 | 0 | 0 | 0 | 111.3 | K1204 | K1204-P1244 HydrophobicContact CG-CB 4.41Š|
| 1245 | I | 81.6 | Confident | 69.4 | Low | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 129.5 | -178.7 | -57.9 | 170.4 | 0 | 0 | 0 | 109.5 | V1203 K1204 Q1205 G1206 R1243 D1267 | V1203-I1245 CarbonylContact O-C 3.49Å; K1204-I1245 CarbonylContact C-O 3.43Å; Q1205-I1245 PolarHBondContact N-O 3.25Å; G1206-I1245 WeakPolarHBondContact CA-O 3.44Å; G1206-I1245 PolarHBondContact N-O 3.12Å; R1243-I1245 PolarHBondContact O-N 3.46Å; I1245-D1267 HydrophobicContact CG2-CB 3.65Å |
| 1246 | A | 89.7 | Confident | 70 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | trans | -104.7 | 126.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1186 V1203 T1248 D1267 D1268 | L1186-A1246 HydrophobicContact CD1-CB 3.96Å; V1203-A1246 WeakPolarHBondContact O-CA 3.49Å; V1203-A1246 WeakPolarHBondContact O-CB 3.45Å; A1246-T1248 HydrophobicContact CB-CG2 4.48Å; A1246-T1248 PolarHBondContact O-N 3.17Å; A1246-D1267 CarbonylContact O-C 3.6Å; A1246-D1267 VanDerWaalsContact O-CA 3.25Å; A1246-D1267 WeakPolarHBondContact O-CA 3.44Å; A1246-D1267 WeakPolarHBondContact O-CB 3.45Å; A1246-D1268 HydrophobicContact CB-CB 4.17Å; A1246-D1268 PolarHBondContact N-OD1 3.29Å; A1246-D1268 PolarHBondContact O-N 2.85Å | ||
| 1247 | V | 91.3 | Very high | 70.6 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 102.8 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L1186 T1201 F1202 G1206 V1208 T1265 | L1186-V1247 WeakPolarHBondContact CD1-O 3.43Å; T1201-V1247 VanDerWaalsContact CB-O 3.31Å; T1201-V1247 WeakPolarHBondContact CB-O 3.38Å; T1201-V1247 HydrophobicContact CG2-CB 4.33Å; T1201-V1247 HydrophobicContact CG2-CG1 3.81Å; T1201-V1247 PolarHBondContact OG1-O 2.97Å; F1202-V1247 PolarHBondContact O-N 3.44Å; F1202-V1247 VanDerWaalsContact O-N 3.14Å; G1206-V1247 WeakPolarHBondContact O-CG2 3.34Å; V1208-V1247 HydrophobicContact CG2-CB 4.21Å; V1208-V1247 HydrophobicContact CG2-CG1 3.93Å; V1208-V1247 HydrophobicContact CG2-CG2 4.08Å; V1247-T1265 HydrophobicContact CG1-CG2 4.14Å |
| 1248 | T | 92.3 | Very high | 71.2 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -15.5 | -170.7 | 49.5 | 0 | 0 | 0 | 0 | 113.8 | L1186 R1187 A1246 G1266 D1268 I1339 | L1186-T1248 HydrophobicContact CD1-CG2 4.36Å; R1187-T1248 WeakPolarHBondContact CG-O 3.41Å; R1187-T1248 PolarHBondContact NE-O 3.07Å; A1246-T1248 HydrophobicContact CB-CG2 4.48Å; A1246-T1248 PolarHBondContact O-N 3.17Å; T1248-G1266 PolarHBondContact N-O 2.94Å; T1248-G1266 PolarHBondContact OG1-O 3.38Å; T1248-D1268 HydrophobicContact CG2-CB 4.33Å; T1248-I1339 VanDerWaalsContact CB-O 3.26Å; T1248-I1339 WeakPolarHBondContact CB-O 3.43Å; T1248-I1339 PolarHBondContact OG1-O 2.9Å |
| 1249 | S | 91.7 | Very high | 72.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.8 | 179.2 | 62 | 0 | 0 | 0 | 0 | 112.3 | G1266 I1339 M1342 | S1249-G1266 PolarHBondContact N-O 3.18Å; S1249-G1266 PolarHBondContact O-N 3.01Å; S1249-G1266 WeakPolarHBondContact OG-CA 3.48Å; S1249-G1266 PolarHBondContact OG-N 3.49Å; S1249-G1266 PolarHBondContact OG-O 3.24Å; S1249-I1339 VanDerWaalsContact OG-CG2 3.27Å; S1249-I1339 WeakPolarHBondContact OG-CG2 3.45Å; S1249-M1342 PolarHBondContact OG-SD 3.23Å |
| 1250 | L | 92.8 | Very high | 73.7 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 127.8 | -172.9 | -177.3 | 70.7 | 0 | 0 | 0 | 111 | R1187 R1189 L1199 T1201 V1208 V1263 L1264 T1265 | R1187-L1250 HydrophobicContact CB-CB 4.49Å; R1189-L1250 HydrophobicContact CB-CD2 3.87Å; R1189-L1250 PolarHBondContact NH1-O 3.48Å; L1199-L1250 HydrophobicContact CB-CD2 3.74Å; L1199-L1250 HydrophobicContact CD1-CD2 4.48Å; T1201-L1250 HydrophobicContact CG2-CB 3.9Å; T1201-L1250 HydrophobicContact CG2-CD1 4.13Å; T1201-L1250 HydrophobicContact CG2-CD2 3.92Å; T1201-L1250 HydrophobicContact CG2-CG 4.2Å; V1208-L1250 HydrophobicContact CG1-CD1 4.03Å; L1250-V1263 HydrophobicContact CD1-CG1 3.39Å; L1250-L1264 WeakPolarHBondContact CA-O 3.25Å; L1250-T1265 HydrophobicContact CD1-CG2 4.13Å |
| 1251 | S | 89.9 | Confident | 75.4 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152 | 169.8 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | V1263 L1264 | S1251-V1263 WeakPolarHBondContact O-CA 3.36Å; S1251-L1264 PolarHBondContact N-O 3.4Å; S1251-L1264 PolarHBondContact O-N 3.39Å |
| 1252 | Q | 88.3 | Confident | 77.5 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 144.6 | -175.2 | -176.3 | -176 | 15.4 | 0 | 0 | 110.6 | P1190 L1192 L1199 P1260 V1262 V1263 | P1190-Q1252 PolarHBondContact O-OE1 3.49Å; L1192-Q1252 HydrophobicContact CD1-CG 4.01Å; L1192-Q1252 HydrophobicContact CG-CG 4.29Å; L1199-Q1252 HydrophobicContact CD1-CG 4.42Å; Q1252-P1260 WeakPolarHBondContact CG-O 3.32Å; Q1252-P1260 VanDerWaalsContact NE2-CA 3.34Å; Q1252-P1260 PolarHBondContact NE2-O 2.76Å; Q1252-V1262 VanDerWaalsContact CA-O 3.27Å; Q1252-V1262 WeakPolarHBondContact CA-O 3.37Å; Q1252-V1263 HydrophobicContact CG-CG2 4.42Å |
| 1253 | F | 86.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 169.5 | 173.2 | 63.6 | -85.9 | 0 | 0 | 0 | 112.4 | P978 W982 G1255 V1262 L1264 Y1274 L1344 | P978-F1253 HydrophobicContact CB-CD2 3.68Å; P978-F1253 HydrophobicContact CB-CE2 4.02Å; P978-F1253 HydrophobicContact CB-CG 4.33Å; P978-F1253 HydrophobicContact CG-CB 3.89Å; P978-F1253 HydrophobicContact CG-CD1 4.45Å; P978-F1253 HydrophobicContact CG-CD2 3.62Å; P978-F1253 HydrophobicContact CG-CE2 4.18Å; P978-F1253 HydrophobicContact CG-CG 3.74Å; P978-F1253 WeakPolarHBondContact O-CD2 3.37Å; W982-F1253 HydrophobicContact CE3-CE1 4.18Å; W982-F1253 AromaticContact CE3-CE2 3.7Å; W982-F1253 HydrophobicContact CE3-CE2 3.7Å; W982-F1253 AromaticContact CE3-CZ 3.45Å; W982-F1253 HydrophobicContact CE3-CZ 3.45Å; W982-F1253 VanDerWaalsContact CE3-CZ 3.45Å; W982-F1253 HydrophobicContact CZ3-CE1 4.04Å; W982-F1253 HydrophobicContact CZ3-CE2 4.39Å; W982-F1253 AromaticContact CZ3-CZ 3.73Å; W982-F1253 HydrophobicContact CZ3-CZ 3.73Å; F1253-G1255 PolarHBondContact O-N 2.86Å; F1253-G1255 VanDerWaalsContact O-N 3.12Å; F1253-V1262 HydrophobicContact CD1-CB 4.12Å; F1253-V1262 HydrophobicContact CD1-CG1 4.21Å; F1253-V1262 HydrophobicContact CD2-CB 4.08Å; F1253-V1262 HydrophobicContact CD2-CG2 4.39Å; F1253-V1262 HydrophobicContact CE1-CB 3.8Å; F1253-V1262 HydrophobicContact CE1-CG1 3.46Å; F1253-V1262 VanDerWaalsContact CE1-CG1 3.46Å; F1253-V1262 HydrophobicContact CE2-CB 3.73Å; F1253-V1262 HydrophobicContact CE2-CG1 4.01Å; F1253-V1262 HydrophobicContact CE2-CG2 3.85Å; F1253-V1262 HydrophobicContact CG-CB 4.29Å; F1253-V1262 HydrophobicContact CZ-CB 3.61Å; F1253-V1262 HydrophobicContact CZ-CG1 3.36Å; F1253-V1262 HydrophobicContact CZ-CG2 4.07Å; F1253-V1262 PolarHBondContact N-O 3.45Å; F1253-V1262 PolarHBondContact O-N 3.46Å; F1253-L1264 HydrophobicContact CD1-CD1 4.5Å; F1253-L1264 HydrophobicContact CE1-CD1 3.9Å; F1253-L1264 HydrophobicContact CE1-CG 4.17Å; F1253-Y1274 AromaticContact CZ-CE2 3.87Å; F1253-Y1274 HydrophobicContact CZ-CE2 3.87Å; F1253-L1344 HydrophobicContact CB-CD1 4Å; F1253-L1344 HydrophobicContact CD1-CD1 3.38Å; F1253-L1344 HydrophobicContact CE1-CD1 4.02Å; F1253-L1344 HydrophobicContact CG-CD1 3.92Å |
| 1254 | G | 77.7 | Confident | 80.7 | Confident | 28 Ų | 28 | 23.8 Ų | 23.8 | 29% | 0.289 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 66.4 | 11.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P978 | P978-G1254 WeakPolarHBondContact O-CA 3.23Å; P978-G1254 PolarHBondContact O-N 3.28Å |
| 1255 | G | 71.2 | Confident | 81.9 | Confident | 21 Ų | 21 | 21.3 Ų | 21.3 | 22% | 0.216 | 15% | 0.147 | C | C | . | . | trans | -85 | 157.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | F1253 S1259 | F1253-G1255 PolarHBondContact O-N 2.86Å; F1253-G1255 VanDerWaalsContact O-N 3.12Å; G1255-S1259 CarbonylContact C-O 3.6Å; G1255-S1259 WeakPolarHBondContact CA-O 3.21Å | ||
| 1256 | D | 66.1 | Low | 82.4 | Confident | 85 Ų | 85 | 19.1 Ų | 19.1 | 46% | 0.455 | 14% | 0.136 | S | C | . | . | trans | -130.2 | -171.8 | 171.9 | 65.3 | 23 | 0 | 0 | 0 | 110.2 | S1258 S1259 | D1256-S1258 PolarHBondContact O-N 3.39Å; D1256-S1258 VanDerWaalsContact OD1-CA 3.32Å; D1256-S1258 WeakPolarHBondContact OD1-CA 3.46Å; D1256-S1258 WeakPolarHBondContact OD1-CB 3.05Å; D1256-S1258 PolarHBondContact OD1-N 2.97Å; D1256-S1258 PolarHBondContact OD1-OG 3.45Å; D1256-S1258 PolarHBondContact OD2-OG 2.96Å; D1256-S1259 PolarHBondContact N-O 3.49Å; D1256-S1259 PolarHBondContact O-N 2.92Å; D1256-S1259 PolarHBondContact OD1-N 3.38Å | ||
| 1257 | A | 61 | Low | 82.5 | Confident | 71 Ų | 71 | 18.8 Ų | 18.8 | 59% | 0.587 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -63.5 | -20.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1258 | S | 61.3 | Low | 82.4 | Confident | 100 Ų | 100 | 20.6 Ų | 20.6 | 70% | 0.699 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -96.5 | -27.3 | -177.7 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | D1256 | D1256-S1258 PolarHBondContact O-N 3.39Å; D1256-S1258 VanDerWaalsContact OD1-CA 3.32Å; D1256-S1258 WeakPolarHBondContact OD1-CA 3.46Å; D1256-S1258 WeakPolarHBondContact OD1-CB 3.05Å; D1256-S1258 PolarHBondContact OD1-N 2.97Å; D1256-S1258 PolarHBondContact OD1-OG 3.45Å; D1256-S1258 PolarHBondContact OD2-OG 2.96Å |
| 1259 | S | 67.5 | Low | 82.1 | Confident | 25 Ų | 25 | 22.6 Ų | 22.6 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | trans | -138.8 | 134.2 | -175.5 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | G1255 D1256 G1261 | G1255-S1259 CarbonylContact C-O 3.6Å; G1255-S1259 WeakPolarHBondContact CA-O 3.21Å; D1256-S1259 PolarHBondContact N-O 3.49Å; D1256-S1259 PolarHBondContact O-N 2.92Å; D1256-S1259 PolarHBondContact OD1-N 3.38Å; S1259-G1261 PolarHBondContact O-N 3.37Å; S1259-G1261 PolarHBondContact OG-N 2.94Å; S1259-G1261 VanDerWaalsContact OG-N 3.1Å | ||
| 1260 | P | 66.9 | Low | 81.8 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 8% | 0.078 | 16% | 0.157 | C | C | . | . | trans | -60.8 | -9.3 | 168.1 | 25 | -34.6 | 0 | 0 | 0 | 113.6 | V1191 Q1252 V1262 L1277 | V1191-P1260 HydrophobicContact CG1-CB 4.41Å; Q1252-P1260 WeakPolarHBondContact CG-O 3.32Å; Q1252-P1260 VanDerWaalsContact NE2-CA 3.34Å; Q1252-P1260 PolarHBondContact NE2-O 2.76Å; P1260-V1262 PolarHBondContact O-N 3.32Å; P1260-L1277 HydrophobicContact CB-CD1 3.97Å; P1260-L1277 HydrophobicContact CG-CB 4.2Å; P1260-L1277 HydrophobicContact CG-CD1 3.35Å; P1260-L1277 HydrophobicContact CG-CG 4.38Å | ||
| 1261 | G | 79.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | 74.6 | -121.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1259 L1277 | S1259-G1261 PolarHBondContact O-N 3.37Å; S1259-G1261 PolarHBondContact OG-N 2.94Å; S1259-G1261 VanDerWaalsContact OG-N 3.1Å; G1261-L1277 WeakPolarHBondContact O-CB 3.42Å; G1261-L1277 PolarHBondContact O-N 3.3Å | ||
| 1262 | V | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.6 | -178.7 | -179 | 0 | 0 | 0 | 0 | 110.4 | A980 Q1252 F1253 P1260 Y1274 W1275 | A980-V1262 HydrophobicContact CB-CG2 4.14Å; Q1252-V1262 VanDerWaalsContact CA-O 3.27Å; Q1252-V1262 WeakPolarHBondContact CA-O 3.37Å; F1253-V1262 HydrophobicContact CD1-CB 4.12Å; F1253-V1262 HydrophobicContact CD1-CG1 4.21Å; F1253-V1262 HydrophobicContact CD2-CB 4.08Å; F1253-V1262 HydrophobicContact CD2-CG2 4.39Å; F1253-V1262 HydrophobicContact CE1-CB 3.8Å; F1253-V1262 HydrophobicContact CE1-CG1 3.46Å; F1253-V1262 VanDerWaalsContact CE1-CG1 3.46Å; F1253-V1262 HydrophobicContact CE2-CB 3.73Å; F1253-V1262 HydrophobicContact CE2-CG1 4.01Å; F1253-V1262 HydrophobicContact CE2-CG2 3.85Å; F1253-V1262 HydrophobicContact CG-CB 4.29Å; F1253-V1262 HydrophobicContact CZ-CB 3.61Å; F1253-V1262 HydrophobicContact CZ-CG1 3.36Å; F1253-V1262 HydrophobicContact CZ-CG2 4.07Å; F1253-V1262 PolarHBondContact N-O 3.45Å; F1253-V1262 PolarHBondContact O-N 3.46Å; P1260-V1262 PolarHBondContact O-N 3.32Å; V1262-Y1274 HydrophobicContact CG1-CD2 3.91Å; V1262-Y1274 HydrophobicContact CG1-CE1 4.14Å; V1262-Y1274 HydrophobicContact CG1-CE2 3.41Å; V1262-Y1274 VanDerWaalsContact CG1-CE2 3.41Å; V1262-Y1274 HydrophobicContact CG1-CG 4.45Å; V1262-Y1274 VanDerWaalsContact CG1-CZ 3.48Å; V1262-Y1274 WeakPolarHBondContact CG2-OH 3.38Å; V1262-W1275 CarbonylContact C-O 3.58Å; V1262-W1275 VanDerWaalsContact CA-O 3.32Å; V1262-W1275 WeakPolarHBondContact CA-O 3.49Å; V1262-W1275 WeakPolarHBondContact CG1-O 3.49Å |
| 1263 | V | 90.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.9 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | L1199 I1222 L1250 S1251 Q1252 T1265 W1275 L1277 | L1199-V1263 HydrophobicContact CD1-CG2 3.93Å; I1222-V1263 HydrophobicContact CD1-CB 4.48Å; I1222-V1263 HydrophobicContact CD1-CG1 4.48Å; L1250-V1263 HydrophobicContact CD1-CG1 3.39Å; S1251-V1263 WeakPolarHBondContact O-CA 3.36Å; Q1252-V1263 HydrophobicContact CG-CG2 4.42Å; V1263-T1265 HydrophobicContact CG1-CG2 4.02Å; V1263-W1275 HydrophobicContact CB-CB 4.29Å; V1263-W1275 PolarHBondContact N-O 3.13Å; V1263-W1275 WeakPolarHBondContact O-CB 3.22Å; V1263-W1275 PolarHBondContact O-N 3.4Å; V1263-L1277 HydrophobicContact CB-CD1 4.42Å; V1263-L1277 HydrophobicContact CG2-CD1 3.62Å; V1263-L1277 HydrophobicContact CG2-CG 4.43Å |
| 1264 | L | 92 | Very high | 81.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127 | 173.1 | -73.1 | 169.4 | 0 | 0 | 0 | 109.2 | L1250 S1251 F1253 R1273 Y1274 M1342 L1344 L1352 | L1250-L1264 WeakPolarHBondContact CA-O 3.25Å; S1251-L1264 PolarHBondContact N-O 3.4Å; S1251-L1264 PolarHBondContact O-N 3.39Å; F1253-L1264 HydrophobicContact CD1-CD1 4.5Å; F1253-L1264 HydrophobicContact CE1-CD1 3.9Å; F1253-L1264 HydrophobicContact CE1-CG 4.17Å; L1264-R1273 WeakPolarHBondContact CA-O 3.31Å; L1264-Y1274 HydrophobicContact CD2-CD2 3.85Å; L1264-Y1274 HydrophobicContact CD2-CG 4.39Å; L1264-M1342 HydrophobicContact CB-CE 3.82Å; L1264-M1342 HydrophobicContact CD1-CE 4.42Å; L1264-L1344 HydrophobicContact CD1-CD2 4.13Å; L1264-L1352 HydrophobicContact CD1-CD1 3.97Å; L1264-L1352 HydrophobicContact CD1-CD2 4.35Å |
| 1265 | T | 93.7 | Very high | 82.4 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.3 | -179.5 | 61.3 | 0 | 0 | 0 | 0 | 110.3 | V1208 V1247 L1250 V1263 I1272 R1273 W1275 | V1208-T1265 HydrophobicContact CG2-CG2 3.75Å; V1247-T1265 HydrophobicContact CG1-CG2 4.14Å; L1250-T1265 HydrophobicContact CD1-CG2 4.13Å; V1263-T1265 HydrophobicContact CG1-CG2 4.02Å; T1265-I1272 WeakPolarHBondContact O-CA 3.38Å; T1265-R1273 PolarHBondContact N-O 3.18Å; T1265-R1273 PolarHBondContact O-N 3.24Å; T1265-W1275 PolarHBondContact OG1-NE1 3.09Å |
| 1266 | G | 92.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T1248 S1249 R1271 | T1248-G1266 PolarHBondContact N-O 2.94Å; T1248-G1266 PolarHBondContact OG1-O 3.38Å; S1249-G1266 PolarHBondContact N-O 3.18Å; S1249-G1266 PolarHBondContact O-N 3.01Å; S1249-G1266 WeakPolarHBondContact OG-CA 3.48Å; S1249-G1266 PolarHBondContact OG-N 3.49Å; S1249-G1266 PolarHBondContact OG-O 3.24Å; G1266-R1271 WeakPolarHBondContact CA-O 3.3Å |
| 1267 | D | 91.7 | Very high | 83.8 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 178.1 | -174.5 | 64.2 | 36.9 | 0 | 0 | 0 | 113.9 | I1245 A1246 S1269 G1270 R1271 I1339 | I1245-D1267 HydrophobicContact CG2-CB 3.65Å; A1246-D1267 CarbonylContact O-C 3.6Å; A1246-D1267 VanDerWaalsContact O-CA 3.25Å; A1246-D1267 WeakPolarHBondContact O-CA 3.44Å; A1246-D1267 WeakPolarHBondContact O-CB 3.45Å; D1267-S1269 PolarHBondContact O-N 3.21Å; D1267-S1269 WeakPolarHBondContact OD1-CA 3.34Å; D1267-S1269 WeakPolarHBondContact OD1-CB 3.5Å; D1267-S1269 PolarHBondContact OD1-N 3.13Å; D1267-S1269 PolarHBondContact OD1-OG 3.28Å; D1267-G1270 PolarHBondContact O-N 3.45Å; D1267-G1270 PolarHBondContact OD1-N 2.89Å; D1267-R1271 PolarHBondContact N-O 2.82Å; D1267-R1271 VanDerWaalsContact N-O 3.08Å; D1267-R1271 WeakPolarHBondContact OD1-CB 3.42Å; D1267-R1271 PolarHBondContact OD1-N 2.9Å; D1267-R1271 WeakPolarHBondContact OD2-CB 3.24Å; D1267-I1339 PolarHBondContact O-N 3.48Å |
| 1268 | D | 89.4 | Confident | 84.6 | Confident | 42 Ų | 42 | 19 Ų | 19 | 23% | 0.225 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.5 | 179.6 | 67 | -31.7 | 0 | 0 | 0 | 114.5 | A1246 T1248 L1338 | A1246-D1268 HydrophobicContact CB-CB 4.17Å; A1246-D1268 PolarHBondContact N-OD1 3.29Å; A1246-D1268 PolarHBondContact O-N 2.85Å; T1248-D1268 HydrophobicContact CG2-CB 4.33Å; D1268-L1338 HydrophobicContact CB-CB 4.09Å |
| 1269 | S | 84.8 | Confident | 85.4 | Confident | 60 Ų | 60 | 17.6 Ų | 17.6 | 42% | 0.42 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.3 | 172.9 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | D1267 R1271 | D1267-S1269 PolarHBondContact O-N 3.21Å; D1267-S1269 WeakPolarHBondContact OD1-CA 3.34Å; D1267-S1269 WeakPolarHBondContact OD1-CB 3.5Å; D1267-S1269 PolarHBondContact OD1-N 3.13Å; D1267-S1269 PolarHBondContact OD1-OG 3.28Å; S1269-R1271 VanDerWaalsContact C-N 3.31Å |
| 1270 | G | 86.7 | Confident | 86 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 80.9 | 10.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1267 H1335 | D1267-G1270 PolarHBondContact O-N 3.45Å; D1267-G1270 PolarHBondContact OD1-N 2.89Å; G1270-H1335 WeakPolarHBondContact CA-O 3.45Å |
| 1271 | R | 88 | Confident | 86.4 | Confident | 34 Ų | 34 | 21.6 Ų | 21.6 | 13% | 0.128 | 14% | 0.135 | C | C | . | . | trans | -88.4 | 138.3 | -179.7 | 169.9 | -175.6 | -75.6 | 172.7 | -0.8 | 110.5 | G1266 D1267 S1269 R1273 I1285 S1287 S1288 | G1266-R1271 WeakPolarHBondContact CA-O 3.3Å; D1267-R1271 PolarHBondContact N-O 2.82Å; D1267-R1271 VanDerWaalsContact N-O 3.08Å; D1267-R1271 WeakPolarHBondContact OD1-CB 3.42Å; D1267-R1271 PolarHBondContact OD1-N 2.9Å; D1267-R1271 WeakPolarHBondContact OD2-CB 3.24Å; S1269-R1271 VanDerWaalsContact C-N 3.31Å; R1271-R1273 HydrophobicContact CG-CG 4.18Å; R1271-I1285 HydrophobicContact CG-CG2 4Å; R1271-S1287 CarbonylContact C-O 3.53Å; R1271-S1287 VanDerWaalsContact CA-O 3.23Å; R1271-S1287 WeakPolarHBondContact CA-O 3.31Å; R1271-S1288 PolarHBondContact NE-OG 3.47Å; R1271-S1288 PolarHBondContact NH2-OG 2.98Å; R1271-S1288 VanDerWaalsContact NH2-OG 3.07Å | ||
| 1272 | I | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.5 | 174 | -57.8 | 174 | 0 | 0 | 0 | 108.9 | T1265 L1286 S1287 I1339 M1342 L1352 W1364 | T1265-I1272 WeakPolarHBondContact O-CA 3.38Å; I1272-L1286 HydrophobicContact CB-CB 4.23Å; I1272-L1286 HydrophobicContact CB-CD2 4.49Å; I1272-L1286 HydrophobicContact CG2-CB 4.06Å; I1272-L1286 HydrophobicContact CG2-CD2 3.88Å; I1272-L1286 PolarHBondContact O-N 2.82Å; I1272-S1287 PolarHBondContact N-O 2.89Å; I1272-S1287 PolarHBondContact O-N 3.28Å; I1272-I1339 HydrophobicContact CD1-CD1 3.94Å; I1272-I1339 HydrophobicContact CG1-CD1 3.25Å; I1272-M1342 HydrophobicContact CD1-CE 4.49Å; I1272-M1342 HydrophobicContact CG1-SD 4.39Å; I1272-M1342 HydrophobicContact CG2-CE 3.62Å; I1272-M1342 HydrophobicContact CG2-SD 4.31Å; I1272-L1352 HydrophobicContact CG2-CD2 4.38Å; I1272-W1364 HydrophobicContact CD1-CZ2 4.14Å |
| 1273 | R | 89.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 142.9 | 176.1 | -56.1 | -179.1 | -179.3 | -108.7 | 12.6 | 111.4 | L1264 T1265 R1271 W1275 I1285 | L1264-R1273 WeakPolarHBondContact CA-O 3.31Å; T1265-R1273 PolarHBondContact N-O 3.18Å; T1265-R1273 PolarHBondContact O-N 3.24Å; R1271-R1273 HydrophobicContact CG-CG 4.18Å; R1273-W1275 HydrophobicContact CB-CZ2 4.26Å; R1273-W1275 VanDerWaalsContact CD-CZ2 3.43Å; R1273-I1285 HydrophobicContact CG-CG1 4.3Å |
| 1274 | Y | 90 | Very high | 86 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.6 | 173.5 | 178.1 | -81.4 | 0 | 0 | 0 | 108.9 | W982 K983 P984 F1253 V1262 L1264 N1276 S1283 F1284 | W982-Y1274 PolarHBondContact O-OH 3.24Å; K983-Y1274 HydrophobicContact CG-CE1 4.36Å; K983-Y1274 HydrophobicContact CG-CE2 4.44Å; P984-Y1274 HydrophobicContact CG-CD2 3.95Å; P984-Y1274 HydrophobicContact CG-CE2 4.42Å; F1253-Y1274 AromaticContact CZ-CE2 3.87Å; F1253-Y1274 HydrophobicContact CZ-CE2 3.87Å; V1262-Y1274 HydrophobicContact CG1-CD2 3.91Å; V1262-Y1274 HydrophobicContact CG1-CE1 4.14Å; V1262-Y1274 HydrophobicContact CG1-CE2 3.41Å; V1262-Y1274 VanDerWaalsContact CG1-CE2 3.41Å; V1262-Y1274 HydrophobicContact CG1-CG 4.45Å; V1262-Y1274 VanDerWaalsContact CG1-CZ 3.48Å; V1262-Y1274 WeakPolarHBondContact CG2-OH 3.38Å; L1264-Y1274 HydrophobicContact CD2-CD2 3.85Å; L1264-Y1274 HydrophobicContact CD2-CG 4.39Å; Y1274-N1276 HydrophobicContact CE1-CB 3.87Å; Y1274-S1283 CarbonylContact O-C 3.46Å; Y1274-S1283 WeakPolarHBondContact O-CA 3.48Å; Y1274-S1283 VanDerWaalsContact O-CB 3.32Å; Y1274-S1283 WeakPolarHBondContact O-CB 3.34Å; Y1274-F1284 AromaticContact CD1-CD1 3.65Å; Y1274-F1284 HydrophobicContact CD1-CD1 3.65Å; Y1274-F1284 AromaticContact CD1-CE1 3.4Å; Y1274-F1284 HydrophobicContact CD1-CE1 3.4Å; Y1274-F1284 VanDerWaalsContact CD1-CE1 3.4Å; Y1274-F1284 HydrophobicContact CD1-CZ 4.31Å; Y1274-F1284 HydrophobicContact CD2-CE1 4.11Å; Y1274-F1284 HydrophobicContact CD2-CZ 4.3Å; Y1274-F1284 HydrophobicContact CE1-CD1 4.4Å; Y1274-F1284 AromaticContact CE1-CE1 3.97Å; Y1274-F1284 HydrophobicContact CE1-CE1 3.97Å; Y1274-F1284 HydrophobicContact CG-CD1 4.01Å; Y1274-F1284 AromaticContact CG-CE1 3.52Å; Y1274-F1284 HydrophobicContact CG-CE1 3.52Å; Y1274-F1284 AromaticContact CG-CZ 3.98Å; Y1274-F1284 HydrophobicContact CG-CZ 3.98Å; Y1274-F1284 PolarHBondContact N-O 3.29Å; Y1274-F1284 PolarHBondContact O-N 2.68Å |
| 1275 | W | 88.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.2 | -179.5 | -56.7 | 96.4 | 0 | 0 | 0 | 109.6 | I1222 P1224 V1262 V1263 T1265 R1273 L1277 Y1298 | I1222-W1275 HydrophobicContact CD1-CB 4.22Å; I1222-W1275 HydrophobicContact CD1-CD2 4.33Å; I1222-W1275 HydrophobicContact CD1-CG 4.06Å; I1222-W1275 HydrophobicContact CG2-CD2 3.72Å; I1222-W1275 HydrophobicContact CG2-CE3 3.7Å; I1222-W1275 HydrophobicContact CG2-CG 4.49Å; I1222-W1275 HydrophobicContact CG2-CH2 3.53Å; I1222-W1275 HydrophobicContact CG2-CZ2 3.55Å; I1222-W1275 HydrophobicContact CG2-CZ3 3.59Å; P1224-W1275 HydrophobicContact CB-CH2 3.93Å; P1224-W1275 HydrophobicContact CB-CZ2 3.99Å; V1262-W1275 CarbonylContact C-O 3.58Å; V1262-W1275 VanDerWaalsContact CA-O 3.32Å; V1262-W1275 WeakPolarHBondContact CA-O 3.49Å; V1262-W1275 WeakPolarHBondContact CG1-O 3.49Å; V1263-W1275 HydrophobicContact CB-CB 4.29Å; V1263-W1275 PolarHBondContact N-O 3.13Å; V1263-W1275 WeakPolarHBondContact O-CB 3.22Å; V1263-W1275 PolarHBondContact O-N 3.4Å; T1265-W1275 PolarHBondContact OG1-NE1 3.09Å; R1273-W1275 HydrophobicContact CB-CZ2 4.26Å; R1273-W1275 VanDerWaalsContact CD-CZ2 3.43Å; W1275-L1277 HydrophobicContact CB-CD2 4.06Å; W1275-Y1298 HydrophobicContact CE3-CD1 4.33Å; W1275-Y1298 HydrophobicContact CE3-CE1 4.05Å; W1275-Y1298 HydrophobicContact CH2-CD1 4.42Å; W1275-Y1298 AromaticContact CH2-CE1 3.83Å; W1275-Y1298 HydrophobicContact CH2-CE1 3.83Å; W1275-Y1298 AromaticContact CZ3-CD1 3.61Å; W1275-Y1298 HydrophobicContact CZ3-CD1 3.61Å; W1275-Y1298 AromaticContact CZ3-CE1 3.31Å; W1275-Y1298 HydrophobicContact CZ3-CE1 3.31Å |
| 1276 | N | 85.8 | Confident | 85.1 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 102.9 | 170.8 | -177.2 | -10.8 | 0 | 0 | 0 | 108.9 | Y1274 A1278 N1279 L1280 D1282 S1283 | Y1274-N1276 HydrophobicContact CE1-CB 3.87Å; N1276-A1278 VanDerWaalsContact C-N 3.29Å; N1276-A1278 PolarHBondContact O-N 3.45Å; N1276-A1278 PolarHBondContact OD1-N 2.68Å; N1276-A1278 VanDerWaalsContact OD1-N 3.16Å; N1276-N1279 WeakPolarHBondContact CB-O 3.46Å; N1276-N1279 CarbonylContact O-C 3.38Å; N1276-N1279 PolarHBondContact O-N 2.83Å; N1276-N1279 PolarHBondContact OD1-N 3.2Å; N1276-N1279 VanDerWaalsContact OD1-N 3.1Å; N1276-L1280 WeakPolarHBondContact O-CA 3.15Å; N1276-L1280 PolarHBondContact O-N 3.35Å; N1276-D1282 HydrophobicContact CB-CB 3.94Å; N1276-D1282 PolarHBondContact ND2-OD2 3.3Å; N1276-S1283 PolarHBondContact N-OG 3.5Å; N1276-S1283 VanDerWaalsContact N-OG 3.08Å |
| 1277 | L | 81.9 | Confident | 84.7 | Confident | 20 Ų | 20 | 29.6 Ų | 29.6 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -78.2 | -17.8 | -172.9 | -54.7 | -179.3 | 0 | 0 | 0 | 112.6 | Y1220 I1222 P1260 G1261 V1263 W1275 L1280 | Y1220-L1277 HydrophobicContact CE1-CD1 4.28Å; Y1220-L1277 HydrophobicContact CE1-CD2 3.92Å; Y1220-L1277 WeakPolarHBondContact OH-CD2 3.29Å; I1222-L1277 HydrophobicContact CD1-CD1 4.43Å; I1222-L1277 HydrophobicContact CD1-CD2 3.88Å; I1222-L1277 HydrophobicContact CG1-CD2 4.2Å; P1260-L1277 HydrophobicContact CB-CD1 3.97Å; P1260-L1277 HydrophobicContact CG-CB 4.2Å; P1260-L1277 HydrophobicContact CG-CD1 3.35Å; P1260-L1277 HydrophobicContact CG-CG 4.38Å; G1261-L1277 WeakPolarHBondContact O-CB 3.42Å; G1261-L1277 PolarHBondContact O-N 3.3Å; V1263-L1277 HydrophobicContact CB-CD1 4.42Å; V1263-L1277 HydrophobicContact CG2-CD1 3.62Å; V1263-L1277 HydrophobicContact CG2-CG 4.43Å; W1275-L1277 HydrophobicContact CB-CD2 4.06Å; L1277-L1280 HydrophobicContact CD2-CD2 4.26Å |
| 1278 | A | 77.6 | Confident | 84.2 | Confident | 76 Ų | 76 | 30.7 Ų | 30.7 | 63% | 0.628 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -79 | -35.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1276 | N1276-A1278 VanDerWaalsContact C-N 3.29Å; N1276-A1278 PolarHBondContact O-N 3.45Å; N1276-A1278 PolarHBondContact OD1-N 2.68Å; N1276-A1278 VanDerWaalsContact OD1-N 3.16Å |
| 1279 | N | 78.6 | Confident | 83.3 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | trans | -136.3 | 90.8 | 175.7 | -175 | 14 | 0 | 0 | 0 | 110.8 | N1276 S1281 D1282 | N1276-N1279 WeakPolarHBondContact CB-O 3.46Å; N1276-N1279 CarbonylContact O-C 3.38Å; N1276-N1279 PolarHBondContact O-N 2.83Å; N1276-N1279 PolarHBondContact OD1-N 3.2Å; N1276-N1279 VanDerWaalsContact OD1-N 3.1Å; N1279-S1281 PolarHBondContact ND2-OG 3.23Å; N1279-S1281 PolarHBondContact O-N 3.13Å; N1279-S1281 VanDerWaalsContact O-N 3.09Å; N1279-S1281 PolarHBondContact OD1-OG 3.28Å; N1279-D1282 VanDerWaalsContact ND2-CG 3.28Å; N1279-D1282 PolarHBondContact ND2-OD2 2.99Å; N1279-D1282 WeakPolarHBondContact O-CB 3.49Å; N1279-D1282 PolarHBondContact O-N 2.79Å | ||
| 1280 | L | 79.1 | Confident | 82.4 | Confident | 30 Ų | 30 | 32.4 Ų | 32.4 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -59 | -27.8 | -173.4 | -66 | 173.3 | 0 | 0 | 0 | 114 | N1276 L1277 D1282 S1283 V1309 | N1276-L1280 WeakPolarHBondContact O-CA 3.15Å; N1276-L1280 PolarHBondContact O-N 3.35Å; L1277-L1280 HydrophobicContact CD2-CD2 4.26Å; L1280-D1282 PolarHBondContact O-N 2.92Å; L1280-S1283 VanDerWaalsContact O-CB 3.23Å; L1280-S1283 WeakPolarHBondContact O-CB 3.4Å; L1280-S1283 PolarHBondContact O-N 3Å; L1280-S1283 PolarHBondContact O-OG 3.21Å; L1280-V1309 HydrophobicContact CD1-CB 4.36Å; L1280-V1309 HydrophobicContact CD1-CG1 3.98Å; L1280-V1309 HydrophobicContact CD1-CG2 3.45Å; L1280-V1309 VanDerWaalsContact CD1-CG2 3.45Å; L1280-V1309 HydrophobicContact CD2-CB 4.36Å; L1280-V1309 HydrophobicContact CD2-CG1 3.69Å; L1280-V1309 HydrophobicContact CD2-CG2 3.84Å; L1280-V1309 HydrophobicContact CG-CG1 4.41Å; L1280-V1309 HydrophobicContact CG-CG2 4.28Å |
| 1281 | S | 75.7 | Confident | 80.9 | Confident | 92 Ų | 92 | 38.2 Ų | 38.2 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -63.6 | -20.8 | 176 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | N1279 S1283 | N1279-S1281 PolarHBondContact ND2-OG 3.23Å; N1279-S1281 PolarHBondContact O-N 3.13Å; N1279-S1281 VanDerWaalsContact O-N 3.09Å; N1279-S1281 PolarHBondContact OD1-OG 3.28Å; S1281-S1283 VanDerWaalsContact C-N 3.3Å |
| 1282 | D | 80.1 | Confident | 79.4 | Confident | 48 Ų | 48 | 38.9 Ų | 38.9 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -86.2 | 1.5 | 175.4 | -73.2 | -40.9 | 0 | 0 | 0 | 113.4 | K983 N1276 N1279 L1280 F1284 | K983-D1282 IonicContact NZ-OD1 3.53Å; K983-D1282 PolarHBondContact NZ-OD1 3.45Å; K983-D1282 IonicContact NZ-OD2 3.28Å; N1276-D1282 HydrophobicContact CB-CB 3.94Å; N1276-D1282 PolarHBondContact ND2-OD2 3.3Å; N1279-D1282 VanDerWaalsContact ND2-CG 3.28Å; N1279-D1282 PolarHBondContact ND2-OD2 2.99Å; N1279-D1282 WeakPolarHBondContact O-CB 3.49Å; N1279-D1282 PolarHBondContact O-N 2.79Å; L1280-D1282 PolarHBondContact O-N 2.92Å; D1282-F1284 WeakPolarHBondContact O-CD1 3.19Å |
| 1283 | S | 85.2 | Confident | 77.8 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | trans | -75.7 | 141.1 | 177.3 | -55 | 0 | 0 | 0 | 0 | 110.4 | Y1274 N1276 L1280 S1281 Y1298 | Y1274-S1283 CarbonylContact O-C 3.46Å; Y1274-S1283 WeakPolarHBondContact O-CA 3.48Å; Y1274-S1283 VanDerWaalsContact O-CB 3.32Å; Y1274-S1283 WeakPolarHBondContact O-CB 3.34Å; N1276-S1283 PolarHBondContact N-OG 3.5Å; N1276-S1283 VanDerWaalsContact N-OG 3.08Å; L1280-S1283 VanDerWaalsContact O-CB 3.23Å; L1280-S1283 WeakPolarHBondContact O-CB 3.4Å; L1280-S1283 PolarHBondContact O-N 3Å; L1280-S1283 PolarHBondContact O-OG 3.21Å; S1281-S1283 VanDerWaalsContact C-N 3.3Å; S1283-Y1298 WeakPolarHBondContact O-CE2 3.44Å | ||
| 1284 | F | 83.8 | Confident | 76.1 | Confident | 61 Ų | 61 | 47.7 Ų | 47.7 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 164.6 | -179.2 | 65 | -84.2 | 0 | 0 | 0 | 112.6 | K983 P984 Y1274 D1282 L1286 | K983-F1284 HydrophobicContact CB-CE1 4.49Å; K983-F1284 HydrophobicContact CD-CE1 4.5Å; P984-F1284 HydrophobicContact CG-CZ 4.2Å; Y1274-F1284 AromaticContact CD1-CD1 3.65Å; Y1274-F1284 HydrophobicContact CD1-CD1 3.65Å; Y1274-F1284 AromaticContact CD1-CE1 3.4Å; Y1274-F1284 HydrophobicContact CD1-CE1 3.4Å; Y1274-F1284 VanDerWaalsContact CD1-CE1 3.4Å; Y1274-F1284 HydrophobicContact CD1-CZ 4.31Å; Y1274-F1284 HydrophobicContact CD2-CE1 4.11Å; Y1274-F1284 HydrophobicContact CD2-CZ 4.3Å; Y1274-F1284 HydrophobicContact CE1-CD1 4.4Å; Y1274-F1284 AromaticContact CE1-CE1 3.97Å; Y1274-F1284 HydrophobicContact CE1-CE1 3.97Å; Y1274-F1284 HydrophobicContact CG-CD1 4.01Å; Y1274-F1284 AromaticContact CG-CE1 3.52Å; Y1274-F1284 HydrophobicContact CG-CE1 3.52Å; Y1274-F1284 AromaticContact CG-CZ 3.98Å; Y1274-F1284 HydrophobicContact CG-CZ 3.98Å; Y1274-F1284 PolarHBondContact N-O 3.29Å; Y1274-F1284 PolarHBondContact O-N 2.68Å; D1282-F1284 WeakPolarHBondContact O-CD1 3.19Å; F1284-L1286 HydrophobicContact CE2-CB 4.29Å; F1284-L1286 HydrophobicContact CE2-CD1 3.78Å; F1284-L1286 HydrophobicContact CZ-CD1 4.38Å |
| 1285 | I | 84.1 | Confident | 74.6 | Confident | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.9 | 171.4 | -63.2 | 170.5 | 0 | 0 | 0 | 107.8 | R1271 R1273 A1292 L1296 | R1271-I1285 HydrophobicContact CG-CG2 4Å; R1273-I1285 HydrophobicContact CG-CG1 4.3Å; I1285-A1292 HydrophobicContact CB-CB 4.46Å; I1285-A1292 HydrophobicContact CD1-CB 3.79Å; I1285-L1296 HydrophobicContact CD1-CD1 3.84Å |
| 1286 | L | 83.9 | Confident | 73.5 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -39.9 | -179.7 | -177.4 | 66.1 | 0 | 0 | 0 | 111.8 | P984 G986 I1272 F1284 L1352 | P984-L1286 HydrophobicContact CB-CD1 3.91Å; P984-L1286 HydrophobicContact CB-CD2 4.26Å; P984-L1286 HydrophobicContact CG-CD1 3.78Å; P984-L1286 HydrophobicContact CG-CD2 4.06Å; G986-L1286 VanDerWaalsContact CA-CD1 3.43Å; I1272-L1286 HydrophobicContact CB-CB 4.23Å; I1272-L1286 HydrophobicContact CB-CD2 4.49Å; I1272-L1286 HydrophobicContact CG2-CB 4.06Å; I1272-L1286 HydrophobicContact CG2-CD2 3.88Å; I1272-L1286 PolarHBondContact O-N 2.82Å; F1284-L1286 HydrophobicContact CE2-CB 4.29Å; F1284-L1286 HydrophobicContact CE2-CD1 3.78Å; F1284-L1286 HydrophobicContact CZ-CD1 4.38Å; L1286-L1352 HydrophobicContact CD2-CD2 3.55Å |
| 1287 | S | 83.4 | Confident | 72.6 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 130.8 | -174.2 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | R1271 I1272 A1334 W1364 | R1271-S1287 CarbonylContact C-O 3.53Å; R1271-S1287 VanDerWaalsContact CA-O 3.23Å; R1271-S1287 WeakPolarHBondContact CA-O 3.31Å; I1272-S1287 PolarHBondContact N-O 2.89Å; I1272-S1287 PolarHBondContact O-N 3.28Å; S1287-A1334 WeakPolarHBondContact OG-CA 3.47Å; S1287-A1334 VanDerWaalsContact OG-CB 3.24Å; S1287-A1334 WeakPolarHBondContact OG-CB 3.46Å; S1287-W1364 WeakPolarHBondContact OG-CH2 3.34Å |
| 1288 | S | 81.1 | Confident | 72.3 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | trans | -160.7 | 151.8 | 175.2 | -169 | 0 | 0 | 0 | 0 | 111.9 | R1271 A1290 | R1271-S1288 PolarHBondContact NE-OG 3.47Å; R1271-S1288 PolarHBondContact NH2-OG 2.98Å; R1271-S1288 VanDerWaalsContact NH2-OG 3.07Å; S1288-A1290 PolarHBondContact OG-N 3Å; S1288-A1290 PolarHBondContact OG-O 3.32Å | ||
| 1289 | F | 70.8 | Confident | 72.2 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 39% | 0.386 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -75.5 | -37.1 | 168.5 | -82.8 | -78.1 | 0 | 0 | 0 | 113.6 | S1332 A1334 H1335 H1336 | F1289-S1332 WeakPolarHBondContact CD1-OG 3.44Å; F1289-S1332 WeakPolarHBondContact CE1-OG 3.4Å; F1289-A1334 HydrophobicContact CD2-CB 3.6Å; F1289-A1334 VanDerWaalsContact CE2-C 3.46Å; F1289-A1334 HydrophobicContact CE2-CB 3.47Å; F1289-A1334 VanDerWaalsContact CE2-CB 3.47Å; F1289-A1334 WeakPolarHBondContact CE2-O 3.47Å; F1289-A1334 HydrophobicContact CG-CB 4.26Å; F1289-A1334 HydrophobicContact CZ-CB 4.07Å; F1289-A1334 WeakPolarHBondContact CZ-O 3.48Å; F1289-H1335 VanDerWaalsContact CE2-C 3.46Å; F1289-H1335 WeakPolarHBondContact CE2-O 3.31Å; F1289-H1336 AromaticContact CE1-CE1 3.64Å; F1289-H1336 AromaticContact CE1-ND1 3.66Å; F1289-H1336 AromaticContact CE2-ND1 3.8Å; F1289-H1336 AromaticContact CZ-CE1 3.28Å; F1289-H1336 WeakPolarHBondContact CZ-CE1 3.38Å; F1289-H1336 AromaticContact CZ-CG 3.83Å; F1289-H1336 AromaticContact CZ-ND1 3.1Å; F1289-H1336 WeakPolarHBondContact CZ-ND1 3.49Å |
| 1290 | A | 65.4 | Low | 72.3 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 41% | 0.405 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.7 | 134.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1288 A1292 | S1288-A1290 PolarHBondContact OG-N 3Å; S1288-A1290 PolarHBondContact OG-O 3.32Å; A1290-A1292 PolarHBondContact O-N 2.83Å; A1290-A1292 VanDerWaalsContact O-N 3.1Å |
| 1291 | P | 56.4 | Low | 72.5 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 79% | 0.792 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 121.7 | 174.4 | 21.7 | -30.1 | 0 | 0 | 0 | 108.6 | ||
| 1292 | A | 55.4 | Low | 72.7 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 40% | 0.397 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 133 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | I1285 A1290 T1294 | I1285-A1292 HydrophobicContact CB-CB 4.46Å; I1285-A1292 HydrophobicContact CD1-CB 3.79Å; A1290-A1292 PolarHBondContact O-N 2.83Å; A1290-A1292 VanDerWaalsContact O-N 3.1Å; A1292-T1294 PolarHBondContact O-N 3.23Å; A1292-T1294 VanDerWaalsContact O-N 3.13Å |
| 1293 | P | 57.3 | Low | 72.8 | Confident | 62 Ų | 62 | 60 Ų | 60 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 123.3 | 167.5 | -7.9 | 15.7 | 0 | 0 | 0 | 107.5 | D1295 L1296 | P1293-D1295 PolarHBondContact O-N 3.23Å; P1293-D1295 VanDerWaalsContact O-N 3.1Å; P1293-L1296 HydrophobicContact CB-CD1 4.46Å; P1293-L1296 HydrophobicContact CB-CG 4.04Å; P1293-L1296 HydrophobicContact CG-CD1 3.98Å; P1293-L1296 HydrophobicContact CG-CD2 4.23Å; P1293-L1296 HydrophobicContact CG-CG 3.88Å |
| 1294 | T | 53.5 | Low | 72.4 | Confident | 135 Ų | 135 | 67.2 Ų | 67.2 | 83% | 0.828 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.9 | -177.2 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | A1292 | A1292-T1294 PolarHBondContact O-N 3.23Å; A1292-T1294 VanDerWaalsContact O-N 3.13Å |
| 1295 | D | 58.3 | Low | 72 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 37.1 | -169 | -58.8 | 3.4 | 0 | 0 | 0 | 112 | P1293 T1297 L1314 | P1293-D1295 PolarHBondContact O-N 3.23Å; P1293-D1295 VanDerWaalsContact O-N 3.1Å; D1295-T1297 PolarHBondContact O-N 3.08Å; D1295-L1314 HydrophobicContact CB-CB 4.49Å |
| 1296 | L | 66.1 | Low | 72 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 114.3 | 170.7 | -82.4 | 162.4 | 0 | 0 | 0 | 109.9 | I1285 P1293 C1311 | I1285-L1296 HydrophobicContact CD1-CD1 3.84Å; P1293-L1296 HydrophobicContact CB-CD1 4.46Å; P1293-L1296 HydrophobicContact CB-CG 4.04Å; P1293-L1296 HydrophobicContact CG-CD1 3.98Å; P1293-L1296 HydrophobicContact CG-CD2 4.23Å; P1293-L1296 HydrophobicContact CG-CG 3.88Å; L1296-C1311 HydrophobicContact CD2-CB 3.96Å |
| 1297 | T | 67.3 | Low | 71.9 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.8 | 172.3 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | D1295 C1311 T1312 L1314 | D1295-T1297 PolarHBondContact O-N 3.08Å; T1297-C1311 CarbonylContact O-C 3.58Å; T1297-C1311 WeakPolarHBondContact O-CA 3.42Å; T1297-T1312 PolarHBondContact N-O 3Å; T1297-T1312 PolarHBondContact O-N 3.25Å; T1297-T1312 PolarHBondContact O-OG1 3.09Å; T1297-T1312 PolarHBondContact OG1-O 3.07Å; T1297-T1312 PolarHBondContact OG1-OG1 2.6Å; T1297-L1314 HydrophobicContact CG2-CD1 3.66Å; T1297-L1314 HydrophobicContact CG2-CG 4.1Å |
| 1298 | Y | 75.2 | Confident | 72.2 | Confident | 34 Ų | 34 | 68 Ų | 68 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.7 | 177.1 | -62.7 | -83.5 | 0 | 0 | 0 | 109.4 | W1275 S1283 C1311 | W1275-Y1298 HydrophobicContact CE3-CD1 4.33Å; W1275-Y1298 HydrophobicContact CE3-CE1 4.05Å; W1275-Y1298 HydrophobicContact CH2-CD1 4.42Å; W1275-Y1298 AromaticContact CH2-CE1 3.83Å; W1275-Y1298 HydrophobicContact CH2-CE1 3.83Å; W1275-Y1298 AromaticContact CZ3-CD1 3.61Å; W1275-Y1298 HydrophobicContact CZ3-CD1 3.61Å; W1275-Y1298 AromaticContact CZ3-CE1 3.31Å; W1275-Y1298 HydrophobicContact CZ3-CE1 3.31Å; S1283-Y1298 WeakPolarHBondContact O-CE2 3.44Å; Y1298-C1311 HydrophobicContact CD1-CB 4.01Å; Y1298-C1311 HydrophobicContact CE1-CB 4.01Å |
| 1299 | K | 76.8 | Confident | 72.3 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 158.7 | 179.4 | -68.3 | -173.9 | -179.8 | 179.6 | 0 | 110.3 | V1309 Y1310 T1312 | K1299-V1309 WeakPolarHBondContact O-CA 3.26Å; K1299-Y1310 HydrophobicContact CB-CD1 4.22Å; K1299-Y1310 HydrophobicContact CB-CD2 4.36Å; K1299-Y1310 HydrophobicContact CB-CE1 3.62Å; K1299-Y1310 HydrophobicContact CB-CE2 3.81Å; K1299-Y1310 HydrophobicContact CD-CE2 4.07Å; K1299-Y1310 HydrophobicContact CG-CE2 4.49Å; K1299-Y1310 PolarHBondContact N-O 3.48Å; K1299-Y1310 PolarHBondContact O-N 2.72Å; K1299-T1312 HydrophobicContact CD-CG2 4.18Å; K1299-T1312 WeakPolarHBondContact CD-OG1 3.38Å; K1299-T1312 VanDerWaalsContact CE-OG1 3.28Å; K1299-T1312 WeakPolarHBondContact CE-OG1 3.41Å |
| 1300 | Y | 79.1 | Confident | 72.8 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.9 | 179 | 166.9 | -86.7 | 0 | 0 | 0 | 109.1 | I1302 H1307 V1308 V1309 | Y1300-I1302 HydrophobicContact CE1-CG1 4.19Å; Y1300-H1307 HydrophobicContact CE2-CB 3.85Å; Y1300-H1307 AromaticContact CE2-ND1 3.84Å; Y1300-H1307 AromaticContact CZ-ND1 3.48Å; Y1300-H1307 PolarHBondContact OH-CE1 3.45Å; Y1300-H1307 PolarHBondContact OH-ND1 2.79Å; Y1300-V1308 WeakPolarHBondContact CA-O 3.4Å; Y1300-V1309 HydrophobicContact CD2-CG2 4.18Å |
| 1301 | K | 83 | Confident | 73.2 | Confident | 87 Ų | 87 | 63.2 Ų | 63.2 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.7 | 174.9 | -177.1 | 175.1 | -179.1 | -180 | 0 | 109.8 | V1303 V1308 Y1310 | K1301-V1303 HydrophobicContact CD-CG2 4.18Å; K1301-V1303 HydrophobicContact CG-CG2 4.09Å; K1301-V1308 PolarHBondContact N-O 3.44Å; K1301-V1308 WeakPolarHBondContact O-CA 3.22Å; K1301-V1308 PolarHBondContact O-N 3.12Å; K1301-V1308 VanDerWaalsContact O-O 3.13Å; K1301-Y1310 HydrophobicContact CB-CD1 4.45Å; K1301-Y1310 HydrophobicContact CB-CE1 3.7Å |
| 1302 | I | 81.4 | Confident | 73.7 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.9 | 170.4 | -56.2 | 179.3 | 0 | 0 | 0 | 108.1 | Y1300 T1306 H1307 | Y1300-I1302 HydrophobicContact CE1-CG1 4.19Å; I1302-T1306 WeakPolarHBondContact CA-O 3.41Å; I1302-H1307 WeakPolarHBondContact CG1-ND1 3.43Å |
| 1303 | V | 80.5 | Confident | 73.9 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.2 | 177 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | P1229 L1230 K1301 G1305 T1306 V1308 | P1229-V1303 HydrophobicContact CB-CG2 4.21Å; L1230-V1303 HydrophobicContact CD1-CB 3.91Å; L1230-V1303 HydrophobicContact CD1-CG1 3.92Å; K1301-V1303 HydrophobicContact CD-CG2 4.18Å; K1301-V1303 HydrophobicContact CG-CG2 4.09Å; V1303-G1305 PolarHBondContact O-N 3.2Å; V1303-G1305 VanDerWaalsContact O-N 3.14Å; V1303-T1306 PolarHBondContact N-O 2.7Å; V1303-T1306 WeakPolarHBondContact O-CB 3Å; V1303-T1306 PolarHBondContact O-N 3.16Å; V1303-V1308 HydrophobicContact CB-CG2 4.14Å; V1303-V1308 HydrophobicContact CG2-CG2 4.27Å |
| 1304 | D | 77.1 | Confident | 73.6 | Confident | 159 Ų | 159 | 62.2 Ų | 62.2 | 85% | 0.85 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35.8 | -177.4 | -57.9 | -24.4 | 0 | 0 | 0 | 114.5 | T1306 | D1304-T1306 PolarHBondContact O-N 2.83Š|
| 1305 | G | 76 | Confident | 73.2 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | V1303 | V1303-G1305 PolarHBondContact O-N 3.2Å; V1303-G1305 VanDerWaalsContact O-N 3.14Å |
| 1306 | T | 83.6 | Confident | 72.3 | Confident | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.067 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.2 | 170.5 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | R1218 A1221 I1302 V1303 D1304 V1308 | R1218-T1306 HydrophobicContact CG-CG2 3.91Å; R1218-T1306 PolarHBondContact O-OG1 3.22Å; A1221-T1306 HydrophobicContact CB-CG2 4.02Å; I1302-T1306 WeakPolarHBondContact CA-O 3.41Å; V1303-T1306 PolarHBondContact N-O 2.7Å; V1303-T1306 WeakPolarHBondContact O-CB 3Å; V1303-T1306 PolarHBondContact O-N 3.16Å; D1304-T1306 PolarHBondContact O-N 2.83Å; T1306-V1308 HydrophobicContact CG2-CG2 4.12Å; T1306-V1308 PolarHBondContact O-N 3.12Å |
| 1307 | H | 83.1 | Confident | 70.8 | Confident | 63 Ų | 63 | 70.4 Ų | 70.4 | 29% | 0.292 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 110.1 | 171.3 | -63.9 | -65.2 | 0 | 0 | 0 | 110.1 | H1219 Y1220 A1221 Y1300 I1302 | H1219-H1307 WeakPolarHBondContact O-CB 3.27Å; H1219-H1307 PolarHBondContact O-CD2 3.48Å; H1219-H1307 PolarHBondContact O-N 3.46Å; Y1220-H1307 CarbonylContact C-O 3.57Å; Y1220-H1307 VanDerWaalsContact CA-O 3.26Å; Y1220-H1307 WeakPolarHBondContact CA-O 3.43Å; Y1220-H1307 HydrophobicContact CD2-CB 3.6Å; Y1220-H1307 HydrophobicContact CE2-CB 4.19Å; Y1220-H1307 HydrophobicContact CG-CB 4.39Å; A1221-H1307 PolarHBondContact N-O 3.05Å; Y1300-H1307 HydrophobicContact CE2-CB 3.85Å; Y1300-H1307 AromaticContact CE2-ND1 3.84Å; Y1300-H1307 AromaticContact CZ-ND1 3.48Å; Y1300-H1307 PolarHBondContact OH-CE1 3.45Å; Y1300-H1307 PolarHBondContact OH-ND1 2.79Å; I1302-H1307 WeakPolarHBondContact CG1-ND1 3.43Å |
| 1308 | V | 88.3 | Confident | 69.1 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.8 | -176.2 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | A1221 W1223 P1229 L1230 Y1300 K1301 V1303 T1306 | A1221-V1308 HydrophobicContact CB-CG1 4.37Å; A1221-V1308 HydrophobicContact CB-CG2 4.43Å; A1221-V1308 CarbonylContact O-C 3.48Å; A1221-V1308 WeakPolarHBondContact O-CA 3.3Å; W1223-V1308 HydrophobicContact CB-CG1 3.74Å; P1229-V1308 HydrophobicContact CB-CB 4.29Å; P1229-V1308 HydrophobicContact CB-CG1 3.79Å; L1230-V1308 HydrophobicContact CD1-CG2 3.83Å; L1230-V1308 HydrophobicContact CD2-CG2 4.15Å; L1230-V1308 HydrophobicContact CG-CG2 3.91Å; Y1300-V1308 WeakPolarHBondContact CA-O 3.4Å; K1301-V1308 PolarHBondContact N-O 3.44Å; K1301-V1308 WeakPolarHBondContact O-CA 3.22Å; K1301-V1308 PolarHBondContact O-N 3.12Å; K1301-V1308 VanDerWaalsContact O-O 3.13Å; V1303-V1308 HydrophobicContact CB-CG2 4.14Å; V1303-V1308 HydrophobicContact CG2-CG2 4.27Å; T1306-V1308 HydrophobicContact CG2-CG2 4.12Å; T1306-V1308 PolarHBondContact O-N 3.12Å |
| 1309 | V | 84 | Confident | 67.1 | Low | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 122.6 | 170.3 | 170.7 | 0 | 0 | 0 | 0 | 109.2 | Y1220 A1221 W1223 L1280 K1299 Y1300 | Y1220-V1309 HydrophobicContact CE1-CG2 4.16Å; Y1220-V1309 HydrophobicContact CE2-CG2 4.24Å; Y1220-V1309 WeakPolarHBondContact OH-CG2 3.13Å; A1221-V1309 PolarHBondContact O-N 3.45Å; W1223-V1309 PolarHBondContact N-O 3.03Å; L1280-V1309 HydrophobicContact CD1-CB 4.36Å; L1280-V1309 HydrophobicContact CD1-CG1 3.98Å; L1280-V1309 HydrophobicContact CD1-CG2 3.45Å; L1280-V1309 VanDerWaalsContact CD1-CG2 3.45Å; L1280-V1309 HydrophobicContact CD2-CB 4.36Å; L1280-V1309 HydrophobicContact CD2-CG1 3.69Å; L1280-V1309 HydrophobicContact CD2-CG2 3.84Å; L1280-V1309 HydrophobicContact CG-CG1 4.41Å; L1280-V1309 HydrophobicContact CG-CG2 4.28Å; K1299-V1309 WeakPolarHBondContact O-CA 3.26Å; Y1300-V1309 HydrophobicContact CD2-CG2 4.18Å |
| 1310 | Y | 82.2 | Confident | 65 | Low | 48 Ų | 48 | 85.6 Ų | 85.6 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.2 | -178 | 64.8 | -76.6 | 0 | 0 | 0 | 110.5 | W1223 P1229 K1299 K1301 T1312 | W1223-Y1310 VanDerWaalsContact O-CA 3.32Å; W1223-Y1310 WeakPolarHBondContact O-CA 3.26Å; P1229-Y1310 HydrophobicContact CG-CD1 4Å; P1229-Y1310 HydrophobicContact CG-CD2 4.41Å; P1229-Y1310 HydrophobicContact CG-CG 3.93Å; K1299-Y1310 HydrophobicContact CB-CD1 4.22Å; K1299-Y1310 HydrophobicContact CB-CD2 4.36Å; K1299-Y1310 HydrophobicContact CB-CE1 3.62Å; K1299-Y1310 HydrophobicContact CB-CE2 3.81Å; K1299-Y1310 HydrophobicContact CD-CE2 4.07Å; K1299-Y1310 HydrophobicContact CG-CE2 4.49Å; K1299-Y1310 PolarHBondContact N-O 3.48Å; K1299-Y1310 PolarHBondContact O-N 2.72Å; K1301-Y1310 HydrophobicContact CB-CD1 4.45Å; K1301-Y1310 HydrophobicContact CB-CE1 3.7Å; Y1310-T1312 HydrophobicContact CD2-CG2 3.83Å; Y1310-T1312 HydrophobicContact CE2-CG2 3.59Å |
| 1311 | C | 72.2 | Confident | 62.7 | Low | 16 Ų | 16 | 89 Ų | 89 | 11% | 0.108 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.3 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | P1224 L1296 T1297 Y1298 | P1224-C1311 PolarHBondContact O-SG 3.45Å; L1296-C1311 HydrophobicContact CD2-CB 3.96Å; T1297-C1311 CarbonylContact O-C 3.58Å; T1297-C1311 WeakPolarHBondContact O-CA 3.42Å; Y1298-C1311 HydrophobicContact CD1-CB 4.01Å; Y1298-C1311 HydrophobicContact CE1-CB 4.01Å |
| 1312 | T | 66.6 | Low | 60.3 | Low | 36 Ų | 36 | 89.4 Ų | 89.4 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135 | 174.1 | 47.6 | 0 | 0 | 0 | 0 | 110.5 | T1297 K1299 Y1310 | T1297-T1312 PolarHBondContact N-O 3Å; T1297-T1312 PolarHBondContact O-N 3.25Å; T1297-T1312 PolarHBondContact O-OG1 3.09Å; T1297-T1312 PolarHBondContact OG1-O 3.07Å; T1297-T1312 PolarHBondContact OG1-OG1 2.6Å; K1299-T1312 HydrophobicContact CD-CG2 4.18Å; K1299-T1312 WeakPolarHBondContact CD-OG1 3.38Å; K1299-T1312 VanDerWaalsContact CE-OG1 3.28Å; K1299-T1312 WeakPolarHBondContact CE-OG1 3.41Å; Y1310-T1312 HydrophobicContact CD2-CG2 3.83Å; Y1310-T1312 HydrophobicContact CE2-CG2 3.59Å |
| 1313 | S | 61.3 | Low | 57.9 | Low | 60 Ų | 60 | 90.4 Ų | 90.4 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.1 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 109 | H1315 | S1313-H1315 VanDerWaalsContact C-N 3.25Å; S1313-H1315 PolarHBondContact O-N 2.77Å |
| 1314 | L | 50.8 | Low | 55.7 | Low | 115 Ų | 115 | 99.1 Ų | 99.1 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -71.6 | -16.2 | 179.4 | -83.2 | 160.8 | 0 | 0 | 0 | 113.7 | D1295 T1297 | D1295-L1314 HydrophobicContact CB-CB 4.49Å; T1297-L1314 HydrophobicContact CG2-CD1 3.66Å; T1297-L1314 HydrophobicContact CG2-CG 4.1Å |
| 1315 | H | 43.6 | Very low | 53.4 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | trans | -131 | 92.3 | -176.3 | -71.1 | -21.3 | 0 | 0 | 0 | 110.6 | S1313 | S1313-H1315 VanDerWaalsContact C-N 3.25Å; S1313-H1315 PolarHBondContact O-N 2.77Å | ||
| 1316 | S | 39.6 | Very low | 51.2 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -105.7 | 3 | 167.2 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1317 | E | 34.3 | Very low | 48.8 | Very low | 177 Ų | 177 | 111.9 Ų | 111.9 | 83% | 0.827 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -115.4 | -10.4 | -177.7 | -68.5 | -155.9 | 152.2 | 0 | 0 | 117.5 | ||
| 1318 | D | 32.5 | Very low | 46.4 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 61% | 0.612 | S | S | * | * | trans | -125.8 | 41.8 | -176.2 | -78.3 | -36.5 | 0 | 0 | 0 | 115.3 | Q1320 | D1318-Q1320 VanDerWaalsContact C-N 3.26Å; D1318-Q1320 PolarHBondContact O-N 2.92Å | ||
| 1319 | L | 33.7 | Very low | 43.9 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | trans | -89.8 | 48.6 | 168.9 | -85.4 | 163.1 | 0 | 0 | 0 | 112.7 | ||||
| 1320 | Q | 31.6 | Very low | 41.8 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -133 | 71.5 | 155.7 | -78.4 | -168.3 | 6.4 | 0 | 0 | 109.1 | D1318 | D1318-Q1320 VanDerWaalsContact C-N 3.26Å; D1318-Q1320 PolarHBondContact O-N 2.92Å |
| 1321 | M | 31.4 | Very low | 40.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 93% | 0.926 | 72% | 0.719 | S | S | * | * | trans | 167.8 | 78.6 | 149.7 | -93.5 | 177.3 | 69.7 | 0 | 0 | 110.1 | ||||
| 1322 | A | 32.9 | Very low | 40 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -127.9 | 100.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1323 | S | 31.4 | Very low | 40.3 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -58.5 | 146.4 | -177.4 | 41.8 | 0 | 0 | 0 | 0 | 112.9 | E1325 | S1323-E1325 PolarHBondContact O-N 3.21Š| ||
| 1324 | K | 33.7 | Very low | 41.3 | Very low | 214 Ų | 214 | 136.7 Ų | 136.7 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | trans | -37.8 | 95.1 | 166.7 | -69.5 | 172.8 | 172.8 | 175.4 | 0 | 112.7 | ||||
| 1325 | E | 28.7 | Very low | 43.2 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | trans | -128 | 113 | 161.4 | -75.1 | -167.6 | 159.9 | 0 | 0 | 110 | S1323 | S1323-E1325 PolarHBondContact O-N 3.21Š| ||
| 1326 | Q | 29.3 | Very low | 45.1 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | 41.7 | 86.7 | 156.4 | -62.9 | 179.2 | -0.2 | 0 | 0 | 116.6 | E1328 | Q1326-E1328 PolarHBondContact O-N 2.96Š| ||
| 1327 | T | 33.7 | Very low | 47.5 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 84% | 0.84 | 67% | 0.667 | S | S | * | * | trans | -61.4 | 82.4 | 158.2 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | I1329 | T1327-I1329 PolarHBondContact O-N 3.46Š| ||
| 1328 | E | 31.6 | Very low | 50.2 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | trans | -58.5 | 117.3 | 152.5 | -81 | -169.3 | 157 | 0 | 0 | 106.4 | Q1326 R1330 | Q1326-E1328 PolarHBondContact O-N 2.96Å; E1328-R1330 PolarHBondContact O-N 3.38Å | ||
| 1329 | I | 36.8 | Very low | 53.2 | Low | 159 Ų | 159 | 116.4 Ų | 116.4 | 82% | 0.815 | 60% | 0.598 | S | S | * | * | trans | -65.1 | 84 | 173.2 | -58.5 | 168.9 | 0 | 0 | 0 | 106.7 | T1327 V1331 | T1327-I1329 PolarHBondContact O-N 3.46Å; I1329-V1331 PolarHBondContact O-N 3.12Å | ||
| 1330 | R | 40.6 | Very low | 56 | Low | 216 Ų | 216 | 109.4 Ų | 109.4 | 82% | 0.815 | 56% | 0.561 | S | S | * | * | trans | -73.9 | 106 | 167.7 | -80.2 | -172.7 | 177.1 | -176.4 | -0.2 | 107 | E1328 S1332 | E1328-R1330 PolarHBondContact O-N 3.38Å; R1330-S1332 PolarHBondContact O-N 3.25Å | ||
| 1331 | V | 50.8 | Low | 59.1 | Low | 133 Ų | 133 | 100.9 Ų | 100.9 | 81% | 0.806 | 52% | 0.522 | S | S | * | . | trans | -62.1 | 108.1 | 169.9 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | I1329 S1333 | I1329-V1331 PolarHBondContact O-N 3.12Å; V1331-S1333 PolarHBondContact O-N 3.29Å | ||
| 1332 | S | 64.6 | Low | 62.1 | Low | 39 Ų | 39 | 92 Ų | 92 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | trans | -63.6 | 127.4 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110 | F1289 R1330 A1334 | F1289-S1332 WeakPolarHBondContact CD1-OG 3.44Å; F1289-S1332 WeakPolarHBondContact CE1-OG 3.4Å; R1330-S1332 PolarHBondContact O-N 3.25Å; S1332-A1334 VanDerWaalsContact C-N 3.29Å; S1332-A1334 PolarHBondContact OG-N 2.85Å | ||
| 1333 | S | 73.5 | Confident | 64.9 | Low | 47 Ų | 47 | 90.2 Ų | 90.2 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | trans | -83.7 | -0.2 | 176.8 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | V1331 K1362 W1364 | V1331-S1333 PolarHBondContact O-N 3.29Å; S1333-K1362 PolarHBondContact O-NZ 2.88Å; S1333-W1364 WeakPolarHBondContact O-CH2 3.47Å | ||
| 1334 | A | 83 | Confident | 67.7 | Low | 0 Ų | 0 | 86.5 Ų | 86.5 | 0% | 0 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -69.2 | 163.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1287 F1289 S1332 K1362 | S1287-A1334 WeakPolarHBondContact OG-CA 3.47Å; S1287-A1334 VanDerWaalsContact OG-CB 3.24Å; S1287-A1334 WeakPolarHBondContact OG-CB 3.46Å; F1289-A1334 HydrophobicContact CD2-CB 3.6Å; F1289-A1334 VanDerWaalsContact CE2-C 3.46Å; F1289-A1334 HydrophobicContact CE2-CB 3.47Å; F1289-A1334 VanDerWaalsContact CE2-CB 3.47Å; F1289-A1334 WeakPolarHBondContact CE2-O 3.47Å; F1289-A1334 HydrophobicContact CG-CB 4.26Å; F1289-A1334 HydrophobicContact CZ-CB 4.07Å; F1289-A1334 WeakPolarHBondContact CZ-O 3.48Å; S1332-A1334 VanDerWaalsContact C-N 3.29Å; S1332-A1334 PolarHBondContact OG-N 2.85Å; A1334-K1362 PolarHBondContact O-NZ 2.91Å |
| 1335 | H | 89.4 | Confident | 70.3 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -76.1 | 127.4 | 175.8 | -82.1 | -66.4 | 0 | 0 | 0 | 110.7 | G1270 F1289 E1337 I1339 S1354 S1356 | G1270-H1335 WeakPolarHBondContact CA-O 3.45Å; F1289-H1335 VanDerWaalsContact CE2-C 3.46Å; F1289-H1335 WeakPolarHBondContact CE2-O 3.31Å; H1335-E1337 PolarHBondContact O-N 3.14Å; H1335-I1339 HydrophobicContact CB-CG1 4.29Å; H1335-S1354 PolarHBondContact NE2-OG 3.37Å; H1335-S1356 WeakPolarHBondContact ND1-CB 3.38Å | ||
| 1336 | H | 84.2 | Confident | 73 | Confident | 135 Ų | 135 | 72 Ų | 72 | 63% | 0.625 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -70.1 | -21.1 | -174.4 | -69.2 | -70.9 | 0 | 0 | 0 | 113.3 | F1289 | F1289-H1336 AromaticContact CE1-CE1 3.64Å; F1289-H1336 AromaticContact CE1-ND1 3.66Å; F1289-H1336 AromaticContact CE2-ND1 3.8Å; F1289-H1336 AromaticContact CZ-CE1 3.28Å; F1289-H1336 WeakPolarHBondContact CZ-CE1 3.38Å; F1289-H1336 AromaticContact CZ-CG 3.83Å; F1289-H1336 AromaticContact CZ-ND1 3.1Å; F1289-H1336 WeakPolarHBondContact CZ-ND1 3.49Å |
| 1337 | E | 89.3 | Confident | 75.3 | Confident | 88 Ų | 88 | 65.5 Ų | 65.5 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -129.1 | 171.4 | -176.8 | -84.8 | -75.4 | 178.2 | 0 | 0 | 110.5 | H1335 I1339 S1356 R1357 D1358 | H1335-E1337 PolarHBondContact O-N 3.14Å; E1337-I1339 PolarHBondContact O-N 3.28Å; E1337-S1356 WeakPolarHBondContact CB-OG 3.4Å; E1337-S1356 PolarHBondContact O-OG 3.21Å; E1337-R1357 HydrophobicContact CB-CB 4.28Å; E1337-D1358 HydrophobicContact CB-CB 4.05Å; E1337-D1358 HydrophobicContact CG-CB 4.06Å |
| 1338 | L | 91.4 | Very high | 77.5 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 18% | 0.178 | 32% | 0.318 | C | S | . | . | trans | -50.8 | 138.7 | -178.6 | 69.3 | 91 | 0 | 0 | 0 | 113.1 | D1268 T1340 S1356 R1357 | D1268-L1338 HydrophobicContact CB-CB 4.09Å; L1338-T1340 HydrophobicContact CD1-CG2 3.57Å; L1338-T1340 PolarHBondContact O-N 2.74Å; L1338-S1356 WeakPolarHBondContact O-CA 3.2Å; L1338-S1356 PolarHBondContact O-OG 3.41Å; L1338-R1357 HydrophobicContact CD1-CB 3.9Å; L1338-R1357 HydrophobicContact CD2-CB 4.37Å; L1338-R1357 VanDerWaalsContact CD2-CD 3.45Å; L1338-R1357 HydrophobicContact CG-CB 3.68Å; L1338-R1357 HydrophobicContact CG-CG 4.36Å; L1338-R1357 PolarHBondContact O-N 3.11Å; L1338-R1357 VanDerWaalsContact O-N 3.1Å | ||
| 1339 | I | 94.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.8 | 178.7 | -55.4 | -175.6 | 0 | 0 | 0 | 108.9 | T1248 S1249 D1267 I1272 H1335 E1337 M1342 S1355 | T1248-I1339 VanDerWaalsContact CB-O 3.26Å; T1248-I1339 WeakPolarHBondContact CB-O 3.43Å; T1248-I1339 PolarHBondContact OG1-O 2.9Å; S1249-I1339 VanDerWaalsContact OG-CG2 3.27Å; S1249-I1339 WeakPolarHBondContact OG-CG2 3.45Å; D1267-I1339 PolarHBondContact O-N 3.48Å; I1272-I1339 HydrophobicContact CD1-CD1 3.94Å; I1272-I1339 HydrophobicContact CG1-CD1 3.25Å; H1335-I1339 HydrophobicContact CB-CG1 4.29Å; E1337-I1339 PolarHBondContact O-N 3.28Å; I1339-M1342 HydrophobicContact CG2-CG 3.8Å; I1339-M1342 HydrophobicContact CG2-SD 4.15Å; I1339-S1355 CarbonylContact C-O 3.53Å; I1339-S1355 WeakPolarHBondContact CA-O 3.48Å; I1339-S1355 WeakPolarHBondContact CG2-O 3.45Å |
| 1340 | T | 94.4 | Very high | 82.3 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -35 | -172.9 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | V999 R1001 L1338 S1355 R1357 | V999-T1340 WeakPolarHBondContact O-CB 3.31Å; V999-T1340 VanDerWaalsContact O-CG2 3.23Å; V999-T1340 WeakPolarHBondContact O-CG2 3.28Å; V999-T1340 PolarHBondContact O-OG1 3.5Å; R1001-T1340 PolarHBondContact NH1-O 2.97Å; L1338-T1340 HydrophobicContact CD1-CG2 3.57Å; L1338-T1340 PolarHBondContact O-N 2.74Å; T1340-S1355 PolarHBondContact N-O 3.03Å; T1340-S1355 PolarHBondContact OG1-O 3.14Å; T1340-S1355 PolarHBondContact OG1-OG 2.61Å; T1340-R1357 HydrophobicContact CG2-CB 4.11Å |
| 1341 | D | 95.2 | Very high | 84.7 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 156 | 179.1 | -158.6 | 6.1 | 0 | 0 | 0 | 111.8 | R1001 L1002 S1354 S1355 | R1001-D1341 WeakPolarHBondContact CD-OD2 3.26Å; L1002-D1341 HydrophobicContact CG-CB 4.36Å; L1002-D1341 PolarHBondContact N-OD2 3.31Å; D1341-S1354 WeakPolarHBondContact O-CA 3.46Å; D1341-S1355 PolarHBondContact N-OG 3.28Å; D1341-S1355 PolarHBondContact O-N 3.35Å; D1341-S1355 PolarHBondContact O-OG 3.07Å |
| 1342 | M | 94.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 130.3 | 178.5 | -70.8 | 176.8 | 58.4 | 0 | 0 | 110.7 | S1249 L1264 I1272 I1339 L1352 I1353 | S1249-M1342 PolarHBondContact OG-SD 3.23Å; L1264-M1342 HydrophobicContact CB-CE 3.82Å; L1264-M1342 HydrophobicContact CD1-CE 4.42Å; I1272-M1342 HydrophobicContact CD1-CE 4.49Å; I1272-M1342 HydrophobicContact CG1-SD 4.39Å; I1272-M1342 HydrophobicContact CG2-CE 3.62Å; I1272-M1342 HydrophobicContact CG2-SD 4.31Å; I1339-M1342 HydrophobicContact CG2-CG 3.8Å; I1339-M1342 HydrophobicContact CG2-SD 4.15Å; M1342-L1352 HydrophobicContact CB-CD1 4.4Å; M1342-L1352 HydrophobicContact CE-CD1 3.72Å; M1342-L1352 HydrophobicContact CE-CD2 3.82Å; M1342-L1352 HydrophobicContact CE-CG 4.27Å; M1342-I1353 CarbonylContact C-O 3.53Å; M1342-I1353 VanDerWaalsContact CA-O 3.3Å; M1342-I1353 WeakPolarHBondContact CA-O 3.33Å |
| 1343 | K | 92.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 37.1 Ų | 37.1 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.8 | 179.2 | -62.6 | -66.6 | -179.2 | 177.5 | 0 | 111.3 | L1002 V1004 I1353 | L1002-K1343 HydrophobicContact CB-CG 3.9Å; L1002-K1343 WeakPolarHBondContact O-CE 3.32Å; V1004-K1343 HydrophobicContact CG2-CB 3.64Å; V1004-K1343 HydrophobicContact CG2-CG 4.32Å; K1343-I1353 PolarHBondContact N-O 3.19Å; K1343-I1353 PolarHBondContact O-N 3.45Å |
| 1344 | L | 90.6 | Very high | 89.1 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142.2 | 171.5 | -67.5 | 167 | 0 | 0 | 0 | 109.3 | P978 W982 F1253 L1264 W1350 L1351 L1352 | P978-L1344 HydrophobicContact CG-CD1 4.13Å; W982-L1344 HydrophobicContact CH2-CD2 3.93Å; W982-L1344 HydrophobicContact CZ3-CD2 3.84Å; F1253-L1344 HydrophobicContact CB-CD1 4Å; F1253-L1344 HydrophobicContact CD1-CD1 3.38Å; F1253-L1344 HydrophobicContact CE1-CD1 4.02Å; F1253-L1344 HydrophobicContact CG-CD1 3.92Å; L1264-L1344 HydrophobicContact CD1-CD2 4.13Å; L1344-W1350 HydrophobicContact CB-CE3 4.28Å; L1344-W1350 HydrophobicContact CB-CZ3 4.16Å; L1344-L1351 WeakPolarHBondContact CA-O 3.42Å; L1344-L1352 HydrophobicContact CD2-CB 4.16Å; L1344-L1352 HydrophobicContact CD2-CD1 3.98Å |
| 1345 | C | 87.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.2 | 171.2 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | V1004 I1025 W1350 L1351 I1353 | V1004-C1345 HydrophobicContact CG1-CB 3.52Å; V1004-C1345 HydrophobicContact CG2-CB 4.2Å; I1025-C1345 HydrophobicContact CD1-CB 4.18Å; I1025-C1345 VanDerWaalsContact CD1-SG 3.54Å; C1345-W1350 VanDerWaalsContact O-CE3 3.31Å; C1345-L1351 PolarHBondContact N-O 3.06Å; C1345-L1351 PolarHBondContact O-N 3.41Å; C1345-I1353 HydrophobicContact CB-CD1 4.37Å |
| 1346 | H | 84.2 | Confident | 90 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 37% | 0.366 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.8 | 177.5 | -179.6 | -94.6 | 0 | 0 | 0 | 109 | G1008 W1350 | G1008-H1346 WeakPolarHBondContact CA-O 3.47Å; H1346-W1350 HydrophobicContact CB-CD2 3.97Å; H1346-W1350 HydrophobicContact CB-CE3 3.86Å; H1346-W1350 HydrophobicContact CB-CH2 3.64Å; H1346-W1350 HydrophobicContact CB-CZ2 3.77Å; H1346-W1350 HydrophobicContact CB-CZ3 3.71Å; H1346-W1350 AromaticContact CD2-CD1 3.76Å; H1346-W1350 AromaticContact CD2-CD2 3.87Å; H1346-W1350 AromaticContact CD2-CE2 3.56Å; H1346-W1350 AromaticContact CD2-CG 3.97Å; H1346-W1350 AromaticContact CD2-NE1 3.5Å |
| 1347 | F | 78.5 | Confident | 90.5 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -116.6 | -80.9 | 177 | -174.8 | -103.2 | 0 | 0 | 0 | 110.7 | R1009 I1025 K1026 I1029 D1349 | R1009-F1347 HydrophobicContact CB-CD2 3.96Å; R1009-F1347 HydrophobicContact CB-CE2 3.85Å; R1009-F1347 HydrophobicContact CG-CD2 4.35Å; R1009-F1347 HydrophobicContact CG-CE2 3.86Å; I1025-F1347 HydrophobicContact CG2-CB 4.01Å; I1025-F1347 HydrophobicContact CG2-CD1 4.42Å; I1025-F1347 HydrophobicContact CG2-CG 4.12Å; K1026-F1347 HydrophobicContact CB-CE1 4.01Å; K1026-F1347 HydrophobicContact CB-CE2 4.13Å; K1026-F1347 HydrophobicContact CB-CZ 3.53Å; K1026-F1347 HydrophobicContact CD-CZ 3.97Å; K1026-F1347 HydrophobicContact CG-CE1 4.06Å; K1026-F1347 HydrophobicContact CG-CZ 3.66Å; I1029-F1347 HydrophobicContact CD1-CD1 3.85Å; F1347-D1349 PolarHBondContact N-O 2.87Å |
| 1348 | D | 78.8 | Confident | 90.6 | Very high | 114 Ų | 114 | 33.8 Ų | 33.8 | 61% | 0.61 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -102.9 | -38 | 167 | -67.3 | -38.6 | 0 | 0 | 0 | 110.6 | ||
| 1349 | D | 82.5 | Confident | 90.6 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 42% | 0.417 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -124.6 | 167.1 | 169.8 | -72.9 | -45.8 | 0 | 0 | 0 | 108.7 | F1347 K1365 | F1347-D1349 PolarHBondContact N-O 2.87Å; D1349-K1365 WeakPolarHBondContact OD2-CE 3.23Å; D1349-K1365 IonicContact OD2-NZ 2.93Å; D1349-K1365 PolarHBondContact OD2-NZ 2.79Å |
| 1350 | W | 88.1 | Confident | 90.6 | Very high | 44 Ų | 44 | 32.7 Ų | 32.7 | 17% | 0.167 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132.6 | 166.5 | -80.1 | 103.9 | 0 | 0 | 0 | 110.6 | T976 P978 W982 L1344 C1345 H1346 | T976-W1350 WeakPolarHBondContact O-CH2 3.41Å; T976-W1350 WeakPolarHBondContact O-CZ2 3.32Å; P978-W1350 HydrophobicContact CB-CD2 3.82Å; P978-W1350 HydrophobicContact CB-CE3 4.48Å; P978-W1350 HydrophobicContact CB-CG 3.92Å; P978-W1350 HydrophobicContact CB-CZ2 4.39Å; P978-W1350 VanDerWaalsContact CD-CH2 3.44Å; P978-W1350 VanDerWaalsContact CD-CZ2 3.41Å; P978-W1350 HydrophobicContact CG-CD2 3.51Å; P978-W1350 HydrophobicContact CG-CE3 3.67Å; P978-W1350 HydrophobicContact CG-CG 4.02Å; P978-W1350 HydrophobicContact CG-CH2 4.23Å; P978-W1350 HydrophobicContact CG-CZ2 4.08Å; P978-W1350 HydrophobicContact CG-CZ3 4.02Å; W982-W1350 HydrophobicContact CD2-CB 3.87Å; W982-W1350 HydrophobicContact CD2-CG 4.37Å; W982-W1350 HydrophobicContact CG-CB 4.27Å; W982-W1350 HydrophobicContact CH2-CB 4.26Å; W982-W1350 HydrophobicContact CZ2-CB 3.57Å; W982-W1350 WeakPolarHBondContact CZ2-O 3.39Å; L1344-W1350 HydrophobicContact CB-CE3 4.28Å; L1344-W1350 HydrophobicContact CB-CZ3 4.16Å; C1345-W1350 VanDerWaalsContact O-CE3 3.31Å; H1346-W1350 HydrophobicContact CB-CD2 3.97Å; H1346-W1350 HydrophobicContact CB-CE3 3.86Å; H1346-W1350 HydrophobicContact CB-CH2 3.64Å; H1346-W1350 HydrophobicContact CB-CZ2 3.77Å; H1346-W1350 HydrophobicContact CB-CZ3 3.71Å; H1346-W1350 AromaticContact CD2-CD1 3.76Å; H1346-W1350 AromaticContact CD2-CD2 3.87Å; H1346-W1350 AromaticContact CD2-CE2 3.56Å; H1346-W1350 AromaticContact CD2-CG 3.97Å; H1346-W1350 AromaticContact CD2-NE1 3.5Å |
| 1351 | L | 90 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 148.5 | -179.9 | -54.6 | 172.9 | 0 | 0 | 0 | 109.8 | L989 I1025 I1029 L1344 C1345 W1364 K1365 | L989-L1351 HydrophobicContact CD1-CD1 4.4Å; L989-L1351 HydrophobicContact CD1-CD2 3.44Å; L989-L1351 VanDerWaalsContact CD1-CD2 3.44Å; I1025-L1351 HydrophobicContact CG2-CD1 3.82Å; I1029-L1351 HydrophobicContact CD1-CD1 3.76Å; I1029-L1351 HydrophobicContact CG1-CD1 4.45Å; L1344-L1351 WeakPolarHBondContact CA-O 3.42Å; C1345-L1351 PolarHBondContact N-O 3.06Å; C1345-L1351 PolarHBondContact O-N 3.41Å; L1351-W1364 WeakPolarHBondContact CA-O 3.44Å; L1351-K1365 HydrophobicContact CD2-CB 4.25Å; L1351-K1365 HydrophobicContact CD2-CG 4.22Å |
| 1352 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.9 | 171.6 | 173.6 | 65.7 | 0 | 0 | 0 | 109.3 | L1264 I1272 L1286 M1342 L1344 L1363 W1364 | L1264-L1352 HydrophobicContact CD1-CD1 3.97Å; L1264-L1352 HydrophobicContact CD1-CD2 4.35Å; I1272-L1352 HydrophobicContact CG2-CD2 4.38Å; L1286-L1352 HydrophobicContact CD2-CD2 3.55Å; M1342-L1352 HydrophobicContact CB-CD1 4.4Å; M1342-L1352 HydrophobicContact CE-CD1 3.72Å; M1342-L1352 HydrophobicContact CE-CD2 3.82Å; M1342-L1352 HydrophobicContact CE-CG 4.27Å; L1344-L1352 HydrophobicContact CD2-CB 4.16Å; L1344-L1352 HydrophobicContact CD2-CD1 3.98Å; L1352-L1363 CarbonylContact O-C 3.58Å; L1352-L1363 WeakPolarHBondContact O-CA 3.35Å; L1352-W1364 HydrophobicContact CB-CB 4.18Å; L1352-W1364 HydrophobicContact CD2-CG 4.47Å; L1352-W1364 PolarHBondContact N-O 2.8Å; L1352-W1364 VanDerWaalsContact O-CD1 3.27Å; L1352-W1364 PolarHBondContact O-N 2.63Å |
| 1353 | I | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.9 | 172.3 | -44 | -179 | 0 | 0 | 0 | 107.5 | L1002 V1004 F1011 I1025 M1342 K1343 C1345 I1361 K1362 L1363 | L1002-I1353 HydrophobicContact CD1-CB 4.32Å; L1002-I1353 HydrophobicContact CD1-CG2 3.76Å; V1004-I1353 HydrophobicContact CG2-CD1 4.07Å; F1011-I1353 HydrophobicContact CB-CD1 4.05Å; F1011-I1353 HydrophobicContact CD1-CD1 3.6Å; F1011-I1353 HydrophobicContact CD2-CD1 4.19Å; F1011-I1353 HydrophobicContact CD2-CG2 4.45Å; F1011-I1353 HydrophobicContact CE1-CD1 4.01Å; F1011-I1353 HydrophobicContact CE2-CG2 4.11Å; F1011-I1353 HydrophobicContact CG-CD1 3.69Å; F1011-I1353 HydrophobicContact CZ-CD1 4.48Å; F1011-I1353 HydrophobicContact CZ-CG2 4.24Å; I1025-I1353 HydrophobicContact CD1-CD1 4.36Å; M1342-I1353 CarbonylContact C-O 3.53Å; M1342-I1353 VanDerWaalsContact CA-O 3.3Å; M1342-I1353 WeakPolarHBondContact CA-O 3.33Å; K1343-I1353 PolarHBondContact N-O 3.19Å; K1343-I1353 PolarHBondContact O-N 3.45Å; C1345-I1353 HydrophobicContact CB-CD1 4.37Å; I1353-I1361 HydrophobicContact CG2-CG2 3.67Å; I1353-K1362 WeakPolarHBondContact CA-O 3.17Å; I1353-L1363 HydrophobicContact CG1-CG 4.31Å; I1353-L1363 HydrophobicContact CG2-CD1 4.15Å |
| 1354 | S | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | 178 | 58.7 | 0 | 0 | 0 | 0 | 110.1 | H1335 D1341 I1361 K1362 W1364 | H1335-S1354 PolarHBondContact NE2-OG 3.37Å; D1341-S1354 WeakPolarHBondContact O-CA 3.46Å; S1354-I1361 CarbonylContact O-C 3.55Å; S1354-I1361 WeakPolarHBondContact O-CA 3.02Å; S1354-I1361 WeakPolarHBondContact O-CG2 3.45Å; S1354-K1362 PolarHBondContact N-O 3.17Å; S1354-K1362 PolarHBondContact O-N 3.17Å; S1354-K1362 PolarHBondContact OG-O 3.37Å; S1354-W1364 PolarHBondContact OG-NE1 2.97Å |
| 1355 | S | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 153.4 | 176.6 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | I1339 T1340 D1341 V1360 | I1339-S1355 CarbonylContact C-O 3.53Å; I1339-S1355 WeakPolarHBondContact CA-O 3.48Å; I1339-S1355 WeakPolarHBondContact CG2-O 3.45Å; T1340-S1355 PolarHBondContact N-O 3.03Å; T1340-S1355 PolarHBondContact OG1-O 3.14Å; T1340-S1355 PolarHBondContact OG1-OG 2.61Å; D1341-S1355 PolarHBondContact N-OG 3.28Å; D1341-S1355 PolarHBondContact O-N 3.35Å; D1341-S1355 PolarHBondContact O-OG 3.07Å; S1355-V1360 WeakPolarHBondContact CA-O 3.45Å |
| 1356 | S | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 164.5 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | V999 H1335 E1337 L1338 D1358 G1359 V1360 | V999-S1356 PolarHBondContact N-O 3.34Å; H1335-S1356 WeakPolarHBondContact ND1-CB 3.38Å; E1337-S1356 WeakPolarHBondContact CB-OG 3.4Å; E1337-S1356 PolarHBondContact O-OG 3.21Å; L1338-S1356 WeakPolarHBondContact O-CA 3.2Å; L1338-S1356 PolarHBondContact O-OG 3.41Å; S1356-D1358 WeakPolarHBondContact CB-OD1 3.08Å; S1356-D1358 PolarHBondContact O-N 3.2Å; S1356-D1358 PolarHBondContact OG-OD1 3.19Å; S1356-G1359 PolarHBondContact O-N 3.45Å; S1356-V1360 PolarHBondContact N-O 3.37Å |
| 1357 | R | 94.3 | Very high | 90.2 | Very high | 144 Ų | 144 | 31.2 Ų | 31.2 | 54% | 0.543 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.6 | 179.5 | 177.7 | 176.8 | -177.4 | -179.3 | 3.1 | 113.5 | A998 E1337 L1338 T1340 G1359 | A998-R1357 WeakPolarHBondContact CA-O 3.47Å; A998-R1357 HydrophobicContact CB-CB 4.38Å; A998-R1357 HydrophobicContact CB-CG 3.94Å; A998-R1357 WeakPolarHBondContact CB-O 3.49Å; A998-R1357 PolarHBondContact N-O 2.78Å; E1337-R1357 HydrophobicContact CB-CB 4.28Å; L1338-R1357 HydrophobicContact CD1-CB 3.9Å; L1338-R1357 HydrophobicContact CD2-CB 4.37Å; L1338-R1357 VanDerWaalsContact CD2-CD 3.45Å; L1338-R1357 HydrophobicContact CG-CB 3.68Å; L1338-R1357 HydrophobicContact CG-CG 4.36Å; L1338-R1357 PolarHBondContact O-N 3.11Å; L1338-R1357 VanDerWaalsContact O-N 3.1Å; T1340-R1357 HydrophobicContact CG2-CB 4.11Å; R1357-G1359 PolarHBondContact O-N 3.24Å |
| 1358 | D | 91.5 | Very high | 90.8 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7.4 | 173.2 | 59.3 | 3.8 | 0 | 0 | 0 | 113.5 | E1337 S1356 V1360 | E1337-D1358 HydrophobicContact CB-CB 4.05Å; E1337-D1358 HydrophobicContact CG-CB 4.06Å; S1356-D1358 WeakPolarHBondContact CB-OD1 3.08Å; S1356-D1358 PolarHBondContact O-N 3.2Å; S1356-D1358 PolarHBondContact OG-OD1 3.19Å; D1358-V1360 HydrophobicContact CB-CG2 4.45Å; D1358-V1360 VanDerWaalsContact CG-CG2 3.49Å; D1358-V1360 VanDerWaalsContact OD1-CB 3.25Å; D1358-V1360 WeakPolarHBondContact OD1-CB 3.39Å; D1358-V1360 WeakPolarHBondContact OD1-CG2 3.32Å; D1358-V1360 PolarHBondContact OD1-N 3.3Å |
| 1359 | G | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 96.9 | 3.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G997 S1356 R1357 | G997-G1359 VanDerWaalsContact O-CA 3.23Å; G997-G1359 WeakPolarHBondContact O-CA 3.19Å; S1356-G1359 PolarHBondContact O-N 3.45Å; R1357-G1359 PolarHBondContact O-N 3.24Å |
| 1360 | V | 93.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.055 | 9% | 0.094 | C | C | . | . | trans | -93.1 | 138.8 | -174.9 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | D991 L992 H993 S1355 S1356 D1358 K1362 | D991-V1360 WeakPolarHBondContact OD1-CG1 3.22Å; L992-V1360 WeakPolarHBondContact O-CA 3.22Å; H993-V1360 VanDerWaalsContact CE1-CG2 3.41Å; H993-V1360 WeakPolarHBondContact CE1-CG2 3.22Å; H993-V1360 WeakPolarHBondContact ND1-CG2 3.41Å; S1355-V1360 WeakPolarHBondContact CA-O 3.45Å; S1356-V1360 PolarHBondContact N-O 3.37Å; D1358-V1360 HydrophobicContact CB-CG2 4.45Å; D1358-V1360 VanDerWaalsContact CG-CG2 3.49Å; D1358-V1360 VanDerWaalsContact OD1-CB 3.25Å; D1358-V1360 WeakPolarHBondContact OD1-CB 3.39Å; D1358-V1360 WeakPolarHBondContact OD1-CG2 3.32Å; D1358-V1360 PolarHBondContact OD1-N 3.3Å; V1360-K1362 HydrophobicContact CG1-CG 4.16Å | ||
| 1361 | I | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.9 | 171.7 | -53.6 | 170.3 | 0 | 0 | 0 | 109 | L992 V999 L1002 F1011 W1023 I1353 S1354 L1363 | L992-I1361 HydrophobicContact CB-CB 4.09Å; L992-I1361 WeakPolarHBondContact CB-O 3.08Å; L992-I1361 HydrophobicContact CD1-CB 4.09Å; L992-I1361 HydrophobicContact CD1-CG2 4.1Å; L992-I1361 HydrophobicContact CG-CB 4.44Å; L992-I1361 WeakPolarHBondContact CG-O 3.36Å; L992-I1361 PolarHBondContact N-O 3.21Å; L992-I1361 PolarHBondContact O-N 3.02Å; V999-I1361 HydrophobicContact CG1-CD1 4.26Å; V999-I1361 HydrophobicContact CG1-CG1 4.34Å; V999-I1361 HydrophobicContact CG2-CD1 4.24Å; V999-I1361 HydrophobicContact CG2-CG1 3.95Å; L1002-I1361 HydrophobicContact CD2-CD1 4.03Å; L1002-I1361 HydrophobicContact CD2-CG2 4.46Å; F1011-I1361 HydrophobicContact CE2-CD1 4.45Å; F1011-I1361 HydrophobicContact CE2-CG2 4.19Å; F1011-I1361 HydrophobicContact CZ-CG2 4.32Å; W1023-I1361 HydrophobicContact CZ2-CD1 4.03Å; I1353-I1361 HydrophobicContact CG2-CG2 3.67Å; S1354-I1361 CarbonylContact O-C 3.55Å; S1354-I1361 WeakPolarHBondContact O-CA 3.02Å; S1354-I1361 WeakPolarHBondContact O-CG2 3.45Å; I1361-L1363 HydrophobicContact CG2-CD1 4.38Å |
| 1362 | K | 92.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 4% | 0.039 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.5 | -179.3 | -69.2 | -177.6 | -178.5 | -169.7 | 0 | 111.3 | L988 A990 D991 S1333 A1334 I1353 S1354 V1360 W1364 | L988-K1362 HydrophobicContact CD1-CB 3.68Å; L988-K1362 HydrophobicContact CD1-CD 4.01Å; L988-K1362 HydrophobicContact CD1-CG 3.89Å; A990-K1362 WeakPolarHBondContact O-CA 3.49Å; D991-K1362 VanDerWaalsContact OD1-CE 3.26Å; D991-K1362 WeakPolarHBondContact OD1-CE 3.48Å; D991-K1362 WeakPolarHBondContact OD1-CG 3.38Å; S1333-K1362 PolarHBondContact O-NZ 2.88Å; A1334-K1362 PolarHBondContact O-NZ 2.91Å; I1353-K1362 WeakPolarHBondContact CA-O 3.17Å; S1354-K1362 PolarHBondContact N-O 3.17Å; S1354-K1362 PolarHBondContact O-N 3.17Å; S1354-K1362 PolarHBondContact OG-O 3.37Å; V1360-K1362 HydrophobicContact CG1-CG 4.16Å; K1362-W1364 HydrophobicContact CB-CZ2 3.8Å; K1362-W1364 HydrophobicContact CD-CH2 4.09Å; K1362-W1364 HydrophobicContact CD-CZ2 3.71Å; K1362-W1364 HydrophobicContact CG-CZ2 4.36Å |
| 1363 | L | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.6 | 173.2 | -81.1 | 71.6 | 0 | 0 | 0 | 109.6 | L989 A990 L992 F1011 I1025 M1028 L1352 I1353 I1361 | L989-L1363 HydrophobicContact CB-CB 4.42Å; L989-L1363 PolarHBondContact N-O 2.9Å; A990-L1363 HydrophobicContact CB-CB 4.22Å; A990-L1363 HydrophobicContact CB-CD1 4.49Å; A990-L1363 PolarHBondContact N-O 3.27Å; A990-L1363 PolarHBondContact O-N 2.97Å; L992-L1363 HydrophobicContact CD1-CD1 3.77Å; L992-L1363 HydrophobicContact CG-CD1 4.4Å; F1011-L1363 HydrophobicContact CE1-CD1 4.25Å; F1011-L1363 HydrophobicContact CE1-CD2 4.49Å; F1011-L1363 HydrophobicContact CZ-CD1 4.08Å; I1025-L1363 HydrophobicContact CG1-CD2 4.36Å; M1028-L1363 HydrophobicContact SD-CD1 4.21Å; M1028-L1363 HydrophobicContact SD-CD2 3.65Å; L1352-L1363 CarbonylContact O-C 3.58Å; L1352-L1363 WeakPolarHBondContact O-CA 3.35Å; I1353-L1363 HydrophobicContact CG1-CG 4.31Å; I1353-L1363 HydrophobicContact CG2-CD1 4.15Å; I1361-L1363 HydrophobicContact CG2-CD1 4.38Å |
| 1364 | W | 89.5 | Confident | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | -178 | -41.8 | 86 | 0 | 0 | 0 | 110.2 | T987 L988 I1272 S1287 S1333 L1351 L1352 S1354 K1362 | T987-W1364 WeakPolarHBondContact O-CA 3.44Å; L988-W1364 HydrophobicContact CB-CE3 4.25Å; L988-W1364 HydrophobicContact CB-CZ3 4.25Å; L988-W1364 HydrophobicContact CD1-CD2 4.18Å; L988-W1364 HydrophobicContact CD1-CE3 4.03Å; L988-W1364 HydrophobicContact CD1-CH2 4.25Å; L988-W1364 HydrophobicContact CD1-CZ2 4.36Å; L988-W1364 HydrophobicContact CD1-CZ3 4.07Å; I1272-W1364 HydrophobicContact CD1-CZ2 4.14Å; S1287-W1364 WeakPolarHBondContact OG-CH2 3.34Å; S1333-W1364 WeakPolarHBondContact O-CH2 3.47Å; L1351-W1364 WeakPolarHBondContact CA-O 3.44Å; L1352-W1364 HydrophobicContact CB-CB 4.18Å; L1352-W1364 HydrophobicContact CD2-CG 4.47Å; L1352-W1364 PolarHBondContact N-O 2.8Å; L1352-W1364 VanDerWaalsContact O-CD1 3.27Å; L1352-W1364 PolarHBondContact O-N 2.63Å; S1354-W1364 PolarHBondContact OG-NE1 2.97Å; K1362-W1364 HydrophobicContact CB-CZ2 3.8Å; K1362-W1364 HydrophobicContact CD-CH2 4.09Å; K1362-W1364 HydrophobicContact CD-CZ2 3.71Å; K1362-W1364 HydrophobicContact CG-CZ2 4.36Å |
| 1365 | K | 83.1 | Confident | 92.1 | Very high | 86 Ų | 86 | 27.7 Ų | 27.7 | 37% | 0.374 | 12% | 0.12 | S | C | . | . | trans | -89.6 | 0 | 171.6 | -169.1 | 171 | -178.8 | 164.1 | 0 | 111.6 | P984 S985 G986 T987 L989 D1349 L1351 | P984-K1365 CarbonylContact C-O 3.41Å; S985-K1365 WeakPolarHBondContact CA-O 3.27Å; S985-K1365 WeakPolarHBondContact CB-O 3.39Å; S985-K1365 PolarHBondContact N-O 2.95Å; S985-K1365 PolarHBondContact OG-O 2.85Å; G986-K1365 PolarHBondContact N-O 2.91Å; G986-K1365 VanDerWaalsContact N-O 3.13Å; T987-K1365 PolarHBondContact O-N 2.84Å; L989-K1365 HydrophobicContact CD1-CB 3.94Å; L989-K1365 HydrophobicContact CD2-CB 4.06Å; L989-K1365 HydrophobicContact CD2-CD 4.46Å; L989-K1365 HydrophobicContact CG-CB 3.95Å; D1349-K1365 WeakPolarHBondContact OD2-CE 3.23Å; D1349-K1365 IonicContact OD2-NZ 2.93Å; D1349-K1365 PolarHBondContact OD2-NZ 2.79Å; L1351-K1365 HydrophobicContact CD2-CB 4.25Å; L1351-K1365 HydrophobicContact CD2-CG 4.22Å |
Retrieved 1,365 of 1,365 residues in 635.3 ms
(Link to these results)