| 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 | 84.9 | Confident | 85 | Confident | 94 Ų | 94 | 74.4 Ų | 74.4 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | 0 | -56.7 | 0 | -67 | -175 | -81.4 | 0 | 0 | 111.8 | L3 Y4 I5 M15 L65 L69 V166 L169 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.32Å; M1-Y4 VanDerWaalsContact O-CB 3.29Å; M1-Y4 WeakPolarHBondContact O-CB 3.07Å; M1-Y4 PolarHBondContact O-N 3.47Å; M1-I5 PolarHBondContact O-N 3.45Å; M1-M15 HydrophobicContact CG-SD 4.45Å; M1-L65 HydrophobicContact SD-CD1 4.19Å; M1-L65 HydrophobicContact SD-CD2 3.73Å; M1-L69 HydrophobicContact CG-CD1 4.28Å; M1-V166 HydrophobicContact SD-CG2 4.47Å; M1-L169 HydrophobicContact CE-CD1 4.07Å; M1-L169 HydrophobicContact SD-CD1 4.27Å | |||
| 2 | S | 85.3 | Confident | 85.6 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 62% | 0.622 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -55.5 | -43.1 | 179.5 | -39.6 | 0 | 0 | 0 | 0 | 114 | Y4 I5 L6 | S2-Y4 VanDerWaalsContact C-N 3.29Å; S2-Y4 PolarHBondContact O-N 3.37Å; S2-I5 PolarHBondContact O-N 3.33Å; S2-L6 WeakPolarHBondContact O-CG 3.06Å; S2-L6 PolarHBondContact O-N 3.1Å |
| 3 | L | 85.6 | Confident | 86 | Confident | 126 Ų | 126 | 70.5 Ų | 70.5 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.1 | -37.3 | 175.6 | -65.5 | 174.4 | 0 | 0 | 0 | 113.2 | M1 I5 L6 G7 S8 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.32Å; L3-I5 VanDerWaalsContact C-N 3.35Å; L3-L6 PolarHBondContact O-N 3.5Å; L3-G7 PolarHBondContact O-N 3.1Å; L3-G7 VanDerWaalsContact O-N 3.12Å; L3-S8 WeakPolarHBondContact O-CB 3.47Å; L3-S8 PolarHBondContact O-N 2.06Å; L3-S8 PolarHBondContact O-OG 3.35Å |
| 4 | Y | 88.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 12% | 0.122 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 177.8 | 177 | -87.6 | 0 | 0 | 0 | 111.2 | M1 S2 L6 G7 S8 S10 V12 M15 L69 R73 | M1-Y4 VanDerWaalsContact O-CB 3.29Å; M1-Y4 WeakPolarHBondContact O-CB 3.07Å; M1-Y4 PolarHBondContact O-N 3.47Å; S2-Y4 VanDerWaalsContact C-N 3.29Å; S2-Y4 PolarHBondContact O-N 3.37Å; Y4-L6 VanDerWaalsContact C-N 3.3Å; Y4-L6 PolarHBondContact O-N 2.92Å; Y4-G7 PolarHBondContact O-N 3.3Å; Y4-S8 VanDerWaalsContact CA-OG 3.29Å; Y4-S8 WeakPolarHBondContact CA-OG 3.48Å; Y4-S8 PolarHBondContact N-OG 3.11Å; Y4-S10 WeakPolarHBondContact CD2-O 3.43Å; Y4-V12 HydrophobicContact CD2-CG2 4.21Å; Y4-V12 HydrophobicContact CE1-CG2 4.45Å; Y4-V12 HydrophobicContact CE2-CG2 3.92Å; Y4-M15 HydrophobicContact CD2-CE 4.14Å; Y4-M15 HydrophobicContact CG-CE 4.14Å; Y4-L69 HydrophobicContact CD1-CB 3.64Å; Y4-L69 HydrophobicContact CD1-CD1 4.21Å; Y4-L69 HydrophobicContact CD1-CG 4.42Å; Y4-L69 HydrophobicContact CE1-CB 3.53Å; Y4-R73 WeakPolarHBondContact O-CD 3.41Å; Y4-R73 PolarHBondContact O-NE 3.19Å; Y4-R73 PolarHBondContact O-NH1 3.22Å |
| 5 | I | 86.3 | Confident | 86.8 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.4 | -62 | 174.9 | 0 | 0 | 0 | 109.9 | M1 S2 L3 G7 L69 T72 L76 M162 | M1-I5 PolarHBondContact O-N 3.45Å; S2-I5 PolarHBondContact O-N 3.33Å; L3-I5 VanDerWaalsContact C-N 3.35Å; I5-G7 VanDerWaalsContact C-N 3.26Å; I5-G7 PolarHBondContact O-N 3.47Å; I5-L69 HydrophobicContact CD1-CD2 3.77Å; I5-L69 HydrophobicContact CG1-CD2 3.81Å; I5-T72 HydrophobicContact CD1-CG2 4.33Å; I5-T72 HydrophobicContact CG2-CG2 4.31Å; I5-L76 HydrophobicContact CG2-CD1 3.28Å; I5-M162 HydrophobicContact CD1-CE 4.39Å |
| 6 | L | 85.2 | Confident | 87.2 | Confident | 133 Ų | 133 | 68.3 Ų | 68.3 | 70% | 0.696 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76 | -6.8 | -179.5 | -66.3 | 176.2 | 0 | 0 | 0 | 114.9 | S2 L3 Y4 | S2-L6 WeakPolarHBondContact O-CG 3.06Å; S2-L6 PolarHBondContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.5Å; Y4-L6 VanDerWaalsContact C-N 3.3Å; Y4-L6 PolarHBondContact O-N 2.92Å |
| 7 | G | 81.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 27% | 0.268 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.7 | 4.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L3 Y4 I5 R73 | L3-G7 PolarHBondContact O-N 3.1Å; L3-G7 VanDerWaalsContact O-N 3.12Å; Y4-G7 PolarHBondContact O-N 3.3Å; I5-G7 VanDerWaalsContact C-N 3.26Å; I5-G7 PolarHBondContact O-N 3.47Å; G7-R73 PolarHBondContact O-NH2 3.2Å |
| 8 | S | 86.9 | Confident | 87.8 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | trans | -60.8 | 153.5 | 178.7 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | L3 Y4 S10 R73 | L3-S8 WeakPolarHBondContact O-CB 3.47Å; L3-S8 PolarHBondContact O-N 2.06Å; L3-S8 PolarHBondContact O-OG 3.35Å; Y4-S8 VanDerWaalsContact CA-OG 3.29Å; Y4-S8 WeakPolarHBondContact CA-OG 3.48Å; Y4-S8 PolarHBondContact N-OG 3.11Å; S8-S10 PolarHBondContact O-N 3.15Å; S8-S10 PolarHBondContact OG-OG 3.06Å; S8-R73 PolarHBondContact O-NH1 2.87Å; S8-R73 PolarHBondContact O-NH2 3.32Å | ||
| 9 | D | 79.4 | Confident | 88.1 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | trans | -83.7 | 4.5 | 178.1 | -68 | -33.8 | 0 | 0 | 0 | 113.2 | ||||
| 10 | S | 83.4 | Confident | 88.3 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | trans | -64.8 | 136.6 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | Y4 S8 | Y4-S10 WeakPolarHBondContact CD2-O 3.43Å; S8-S10 PolarHBondContact O-N 3.15Å; S8-S10 PolarHBondContact OG-OG 3.06Å | ||
| 11 | T | 88.8 | Confident | 88.5 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | trans | -86.4 | 152.8 | 173.4 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | D13 H14 M15 | T11-D13 VanDerWaalsContact C-N 3.3Å; T11-H14 PolarHBondContact O-N 3.05Å; T11-H14 VanDerWaalsContact OG1-CB 3.28Å; T11-H14 WeakPolarHBondContact OG1-CB 3.32Å; T11-H14 PolarHBondContact OG1-N 3.11Å; T11-M15 PolarHBondContact O-N 3.02Å; T11-M15 VanDerWaalsContact O-N 3.16Å | ||
| 12 | V | 91.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.9 | -37 | 176 | 175 | 0 | 0 | 0 | 0 | 111.1 | Y4 H14 M15 V16 L65 S66 L69 | Y4-V12 HydrophobicContact CD2-CG2 4.21Å; Y4-V12 HydrophobicContact CE1-CG2 4.45Å; Y4-V12 HydrophobicContact CE2-CG2 3.92Å; V12-H14 PolarHBondContact O-N 3.28Å; V12-M15 HydrophobicContact CB-CE 4.16Å; V12-M15 HydrophobicContact CG2-CE 3.67Å; V12-M15 PolarHBondContact O-N 2.99Å; V12-V16 HydrophobicContact CG1-CG2 4.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 3.36Å; V12-L65 HydrophobicContact CG1-CB 3.65Å; V12-S66 WeakPolarHBondContact CB-OG 3.45Å; V12-S66 VanDerWaalsContact CG1-OG 3.29Å; V12-S66 WeakPolarHBondContact CG1-OG 3.43Å; V12-L69 HydrophobicContact CG2-CD1 3.89Å |
| 13 | D | 91.1 | Very high | 89.2 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.2 | -54.9 | 170.7 | 174.9 | 79.4 | 0 | 0 | 0 | 111.6 | T11 M15 V16 A17 M62 | T11-D13 VanDerWaalsContact C-N 3.3Å; D13-M15 VanDerWaalsContact C-N 3.33Å; D13-M15 PolarHBondContact O-N 3.35Å; D13-V16 PolarHBondContact O-N 3.36Å; D13-A17 VanDerWaalsContact O-CB 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.27Å; D13-A17 PolarHBondContact O-N 2.85Å; D13-M62 HydrophobicContact CB-CG 4.5Å; D13-M62 HydrophobicContact CB-SD 3.82Å |
| 14 | H | 91.3 | Very high | 89.5 | Confident | 120 Ų | 120 | 54.8 Ų | 54.8 | 56% | 0.556 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 178.5 | 178.6 | -88.5 | 0 | 0 | 0 | 112.3 | T11 V12 V16 A18 | T11-H14 PolarHBondContact O-N 3.05Å; T11-H14 VanDerWaalsContact OG1-CB 3.28Å; T11-H14 WeakPolarHBondContact OG1-CB 3.32Å; T11-H14 PolarHBondContact OG1-N 3.11Å; V12-H14 PolarHBondContact O-N 3.28Å; H14-V16 PolarHBondContact O-N 3.24Å; H14-A18 WeakPolarHBondContact O-CB 3.32Å; H14-A18 PolarHBondContact O-N 3.26Å |
| 15 | M | 92.8 | Very high | 89.5 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 22% | 0.217 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.5 | -72.1 | -170.8 | -72.6 | 0 | 0 | 112.1 | M1 Y4 T11 V12 D13 F19 L69 | M1-M15 HydrophobicContact CG-SD 4.45Å; Y4-M15 HydrophobicContact CD2-CE 4.14Å; Y4-M15 HydrophobicContact CG-CE 4.14Å; T11-M15 PolarHBondContact O-N 3.02Å; T11-M15 VanDerWaalsContact O-N 3.16Å; V12-M15 HydrophobicContact CB-CE 4.16Å; V12-M15 HydrophobicContact CG2-CE 3.67Å; V12-M15 PolarHBondContact O-N 2.99Å; D13-M15 VanDerWaalsContact C-N 3.33Å; D13-M15 PolarHBondContact O-N 3.35Å; M15-F19 WeakPolarHBondContact O-CB 3.3Å; M15-F19 PolarHBondContact O-N 3.32Å; M15-F19 VanDerWaalsContact O-N 3.11Å; M15-L69 HydrophobicContact CE-CD1 4.19Å |
| 16 | V | 93.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.9 | -43.1 | -178.4 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | V12 D13 H14 A18 F19 F20 I61 M62 L65 | V12-V16 HydrophobicContact CG1-CG2 4.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.4Å; V12-V16 PolarHBondContact O-N 3.36Å; D13-V16 PolarHBondContact O-N 3.36Å; H14-V16 PolarHBondContact O-N 3.24Å; V16-A18 PolarHBondContact O-N 2.91Å; V16-F19 PolarHBondContact O-N 2.95Å; V16-F20 HydrophobicContact CG1-CD2 3.65Å; V16-F20 HydrophobicContact CG1-CE2 3.78Å; V16-F20 WeakPolarHBondContact O-CD2 3.32Å; V16-F20 PolarHBondContact O-N 2.95Å; V16-I61 HydrophobicContact CG1-CG2 4.26Å; V16-I61 HydrophobicContact CG2-CG2 4.03Å; V16-M62 HydrophobicContact CB-CB 4.26Å; V16-M62 HydrophobicContact CG1-CB 4.17Å; V16-M62 HydrophobicContact CG2-CB 4.24Å; V16-L65 HydrophobicContact CG2-CD1 3.95Å |
| 17 | A | 92 | Very high | 89.8 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D13 F19 F20 G21 | D13-A17 VanDerWaalsContact O-CB 3.31Å; D13-A17 WeakPolarHBondContact O-CB 3.27Å; D13-A17 PolarHBondContact O-N 2.85Å; A17-F19 VanDerWaalsContact C-N 3.35Å; A17-F19 PolarHBondContact O-N 2.88Å; A17-F20 PolarHBondContact O-N 3.49Å; A17-G21 PolarHBondContact O-N 3.44Å |
| 18 | A | 92 | Very high | 90.1 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H14 V16 K22 | H14-A18 WeakPolarHBondContact O-CB 3.32Å; H14-A18 PolarHBondContact O-N 3.26Å; V16-A18 PolarHBondContact O-N 2.91Å; A18-K22 VanDerWaalsContact O-CG 3.32Å; A18-K22 WeakPolarHBondContact O-CG 3.17Å; A18-K22 PolarHBondContact O-N 3.31Å; A18-K22 VanDerWaalsContact O-N 3.14Å |
| 19 | F | 93.9 | Very high | 90 | Very high | 91 Ų | 91 | 54.8 Ų | 54.8 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -53.9 | 175.2 | 172.2 | -98.9 | 0 | 0 | 0 | 111.3 | M15 V16 A17 G21 K22 L23 I173 | M15-F19 WeakPolarHBondContact O-CB 3.3Å; M15-F19 PolarHBondContact O-N 3.32Å; M15-F19 VanDerWaalsContact O-N 3.11Å; V16-F19 PolarHBondContact O-N 2.95Å; A17-F19 VanDerWaalsContact C-N 3.35Å; A17-F19 PolarHBondContact O-N 2.88Å; F19-G21 PolarHBondContact O-N 2.85Å; F19-K22 PolarHBondContact O-N 3.43Å; F19-K22 VanDerWaalsContact O-N 3.16Å; F19-L23 HydrophobicContact CE1-CD2 3.93Å; F19-L23 HydrophobicContact CZ-CD2 4.13Å; F19-L23 WeakPolarHBondContact O-CB 3.41Å; F19-L23 PolarHBondContact O-N 3.49Å; F19-I173 HydrophobicContact CE1-CD1 4Å; F19-I173 HydrophobicContact CE1-CG1 4.08Å; F19-I173 HydrophobicContact CZ-CD1 3.74Å; F19-I173 HydrophobicContact CZ-CG1 4.23Å; F19-I173 HydrophobicContact CZ-CG2 4.41Å |
| 20 | F | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -33.5 | -178.5 | -78.9 | -68.9 | 0 | 0 | 0 | 113 | V16 A17 K22 L23 F24 W48 F54 P58 I61 A176 | V16-F20 HydrophobicContact CG1-CD2 3.65Å; V16-F20 HydrophobicContact CG1-CE2 3.78Å; V16-F20 WeakPolarHBondContact O-CD2 3.32Å; V16-F20 PolarHBondContact O-N 2.95Å; A17-F20 PolarHBondContact O-N 3.49Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 3.31Å; F20-L23 HydrophobicContact CD1-CD2 4.01Å; F20-L23 HydrophobicContact CE1-CD2 4.1Å; F20-L23 PolarHBondContact O-N 3.38Å; F20-F24 WeakPolarHBondContact O-CB 3.06Å; F20-F24 PolarHBondContact O-N 2.98Å; F20-W48 HydrophobicContact CB-CZ2 3.84Å; F20-W48 HydrophobicContact CG-CZ2 4.41Å; F20-F54 HydrophobicContact CB-CD2 4.11Å; F20-F54 HydrophobicContact CB-CE2 4.16Å; F20-F54 HydrophobicContact CD1-CB 4.46Å; F20-F54 AromaticContact CD1-CD2 3.14Å; F20-F54 HydrophobicContact CD1-CD2 3.14Å; F20-F54 AromaticContact CD1-CE2 3.47Å; F20-F54 HydrophobicContact CD1-CE2 3.47Å; F20-F54 VanDerWaalsContact CD1-CE2 3.47Å; F20-F54 AromaticContact CD1-CG 3.86Å; F20-F54 HydrophobicContact CD1-CG 3.86Å; F20-F54 HydrophobicContact CD1-CZ 4.31Å; F20-F54 HydrophobicContact CE1-CB 4.32Å; F20-F54 AromaticContact CE1-CD2 3.74Å; F20-F54 HydrophobicContact CE1-CD2 3.74Å; F20-F54 HydrophobicContact CE1-CE2 4.3Å; F20-F54 AromaticContact CE1-CG 3.98Å; F20-F54 HydrophobicContact CE1-CG 3.98Å; F20-F54 AromaticContact CG-CD2 3.93Å; F20-F54 HydrophobicContact CG-CD2 3.93Å; F20-F54 HydrophobicContact CG-CE2 4.27Å; F20-P58 HydrophobicContact CD1-CG 4.22Å; F20-P58 HydrophobicContact CD2-CB 3.67Å; F20-P58 HydrophobicContact CD2-CG 3.93Å; F20-P58 HydrophobicContact CE1-CG 4.17Å; F20-P58 HydrophobicContact CE2-CB 3.73Å; F20-P58 HydrophobicContact CE2-CG 3.92Å; F20-P58 HydrophobicContact CG-CB 4.25Å; F20-P58 HydrophobicContact CG-CG 4.07Å; F20-P58 HydrophobicContact CZ-CB 4.32Å; F20-P58 HydrophobicContact CZ-CG 4.02Å; F20-I61 HydrophobicContact CE2-CD1 3.98Å; F20-I61 HydrophobicContact CZ-CD1 3.71Å; F20-A176 HydrophobicContact CE1-CB 4.18Å |
| 21 | G | 91.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -24.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A17 F19 P25 R45 | A17-G21 PolarHBondContact O-N 3.44Å; F19-G21 PolarHBondContact O-N 2.85Å; G21-P25 VanDerWaalsContact O-CD 3.28Å; G21-P25 WeakPolarHBondContact O-CD 3.46Å; G21-R45 PolarHBondContact O-NH1 2.71Å; G21-R45 VanDerWaalsContact O-NH1 3.12Å |
| 22 | K | 91.9 | Very high | 89.6 | Confident | 144 Ų | 144 | 56 Ų | 56 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -84.7 | -33.5 | 169.8 | -72.3 | 178.2 | -178.2 | -174.2 | 0 | 112.5 | A18 F19 F20 | A18-K22 VanDerWaalsContact O-CG 3.32Å; A18-K22 WeakPolarHBondContact O-CG 3.17Å; A18-K22 PolarHBondContact O-N 3.31Å; A18-K22 VanDerWaalsContact O-N 3.14Å; F19-K22 PolarHBondContact O-N 3.43Å; F19-K22 VanDerWaalsContact O-N 3.16Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 3.31Å |
| 23 | L | 92.5 | Very high | 88.4 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 179.7 | -175.4 | 60.7 | 0 | 0 | 0 | 112.5 | F19 F20 L26 M27 F54 I173 L177 | F19-L23 HydrophobicContact CE1-CD2 3.93Å; F19-L23 HydrophobicContact CZ-CD2 4.13Å; F19-L23 WeakPolarHBondContact O-CB 3.41Å; F19-L23 PolarHBondContact O-N 3.49Å; F20-L23 HydrophobicContact CD1-CD2 4.01Å; F20-L23 HydrophobicContact CE1-CD2 4.1Å; F20-L23 PolarHBondContact O-N 3.38Å; L23-L26 PolarHBondContact O-N 3.15Å; L23-M27 WeakPolarHBondContact O-CB 3.28Å; L23-M27 PolarHBondContact O-N 3.1Å; L23-F54 HydrophobicContact CB-CZ 4.38Å; L23-F54 HydrophobicContact CD2-CE1 4.41Å; L23-F54 HydrophobicContact CD2-CZ 4.09Å; L23-F54 HydrophobicContact CG-CZ 4.01Å; L23-I173 HydrophobicContact CD2-CG2 4.31Å; L23-L177 HydrophobicContact CD1-CD2 4.39Å; L23-L177 HydrophobicContact CD2-CD2 4.11Å; L23-L177 HydrophobicContact CG-CD2 4.32Å |
| 24 | F | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -50.9 | -173.4 | 179.7 | -103.1 | 0 | 0 | 0 | 113.8 | F20 L26 M27 Y28 V44 A47 W48 A53 F54 V191 | F20-F24 WeakPolarHBondContact O-CB 3.06Å; F20-F24 PolarHBondContact O-N 2.98Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 2.61Å; F24-M27 HydrophobicContact CD2-CE 3.44Å; F24-M27 VanDerWaalsContact CD2-CE 3.44Å; F24-M27 HydrophobicContact CE2-CE 3.71Å; F24-M27 HydrophobicContact CG-CE 4.41Å; F24-M27 PolarHBondContact O-N 3.41Å; F24-Y28 VanDerWaalsContact O-CB 3.32Å; F24-Y28 WeakPolarHBondContact O-CB 2.94Å; F24-Y28 PolarHBondContact O-N 2.74Å; F24-V44 HydrophobicContact CD1-CG1 4.04Å; F24-V44 VanDerWaalsContact CD1-O 3.22Å; F24-V44 WeakPolarHBondContact CD1-O 3.43Å; F24-V44 HydrophobicContact CE1-CG1 3.82Å; F24-V44 WeakPolarHBondContact CE1-O 3.43Å; F24-A47 HydrophobicContact CE1-CB 4.45Å; F24-W48 HydrophobicContact CB-CB 4.06Å; F24-W48 HydrophobicContact CB-CD2 4.22Å; F24-W48 HydrophobicContact CB-CE3 3.98Å; F24-W48 HydrophobicContact CB-CG 4.25Å; F24-W48 HydrophobicContact CD1-CB 3.72Å; F24-W48 AromaticContact CD2-CE3 3.62Å; F24-W48 HydrophobicContact CD2-CE3 3.62Å; F24-W48 HydrophobicContact CD2-CZ3 4.37Å; F24-W48 HydrophobicContact CE1-CB 4.31Å; F24-W48 HydrophobicContact CE2-CE3 4.3Å; F24-W48 HydrophobicContact CG-CB 3.87Å; F24-W48 HydrophobicContact CG-CD2 4.38Å; F24-W48 AromaticContact CG-CE3 3.87Å; F24-W48 HydrophobicContact CG-CE3 3.87Å; F24-W48 HydrophobicContact CG-CG 4.4Å; F24-A53 HydrophobicContact CD2-CB 3.79Å; F24-A53 HydrophobicContact CE2-CB 3.43Å; F24-A53 VanDerWaalsContact CE2-CB 3.43Å; F24-F54 HydrophobicContact CB-CE2 4Å; F24-F54 HydrophobicContact CB-CZ 4.17Å; F24-F54 HydrophobicContact CD2-CE2 4.32Å; F24-F54 HydrophobicContact CD2-CZ 4.25Å; F24-V191 HydrophobicContact CE1-CG2 4.34Å; F24-V191 HydrophobicContact CZ-CG2 4.01Å |
| 25 | P | 88.8 | Confident | 85 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 178 | -23.8 | 34.7 | 0 | 0 | 0 | 113.5 | G21 Y28 R29 V44 R45 | G21-P25 VanDerWaalsContact O-CD 3.28Å; G21-P25 WeakPolarHBondContact O-CD 3.46Å; P25-Y28 PolarHBondContact O-N 3.41Å; P25-R29 WeakPolarHBondContact O-CB 3.06Å; P25-R29 PolarHBondContact O-N 3.08Å; P25-V44 HydrophobicContact CB-CG1 4.15Å; P25-V44 HydrophobicContact CG-CG1 4.33Å; P25-R45 HydrophobicContact CG-CB 4.27Å |
| 26 | L | 89.3 | Confident | 83.3 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 178.8 | -62.7 | 175.9 | 0 | 0 | 0 | 111.7 | L23 F24 R30 | L23-L26 PolarHBondContact O-N 3.15Å; F24-L26 VanDerWaalsContact C-N 3.32Å; F24-L26 PolarHBondContact O-N 2.61Å; L26-R30 PolarHBondContact O-N 3.17Å |
| 27 | M | 89.7 | Confident | 81.5 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.7 | 174.9 | -78.7 | -59.1 | 0 | 0 | 110.7 | L23 F24 R29 R30 L31 A53 F54 L177 A180 | L23-M27 WeakPolarHBondContact O-CB 3.28Å; L23-M27 PolarHBondContact O-N 3.1Å; F24-M27 HydrophobicContact CD2-CE 3.44Å; F24-M27 VanDerWaalsContact CD2-CE 3.44Å; F24-M27 HydrophobicContact CE2-CE 3.71Å; F24-M27 HydrophobicContact CG-CE 4.41Å; F24-M27 PolarHBondContact O-N 3.41Å; M27-R29 PolarHBondContact O-N 2.94Å; M27-R30 PolarHBondContact O-N 3.31Å; M27-R30 VanDerWaalsContact O-N 3.14Å; M27-L31 WeakPolarHBondContact O-CG 3.35Å; M27-L31 PolarHBondContact O-N 2.97Å; M27-L31 HydrophobicContact SD-CD1 3.23Å; M27-L31 WeakPolarHBondContact SD-CD1 3.36Å; M27-L31 HydrophobicContact SD-CG 3.71Å; M27-A53 HydrophobicContact CE-CB 4.36Å; M27-F54 HydrophobicContact CE-CE1 3.82Å; M27-F54 HydrophobicContact CE-CZ 3.87Å; M27-F54 HydrophobicContact CG-CE1 4.32Å; M27-L177 HydrophobicContact CB-CD2 4.16Å; M27-L177 HydrophobicContact CG-CD2 3.79Å; M27-A180 HydrophobicContact CE-CB 3.72Å; M27-A180 HydrophobicContact CG-CB 4.34Å; M27-A180 HydrophobicContact SD-CB 3.67Å |
| 28 | Y | 86.4 | Confident | 80 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | -179.9 | -175.9 | -103.6 | 0 | 0 | 0 | 112.3 | F24 P25 R30 L31 L32 V44 V191 | F24-Y28 VanDerWaalsContact O-CB 3.32Å; F24-Y28 WeakPolarHBondContact O-CB 2.94Å; F24-Y28 PolarHBondContact O-N 2.74Å; P25-Y28 PolarHBondContact O-N 3.41Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.5Å; Y28-L31 WeakPolarHBondContact O-CB 3.39Å; Y28-L31 PolarHBondContact O-N 2.03Å; Y28-L31 VanDerWaalsContact O-N 3.13Å; Y28-L32 HydrophobicContact CD1-CD1 4.02Å; Y28-L32 HydrophobicContact CD1-CG 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.28Å; Y28-L32 HydrophobicContact CE1-CG 4.02Å; Y28-L32 HydrophobicContact CE2-CD1 4.25Å; Y28-L32 HydrophobicContact CE2-CD2 4.45Å; Y28-L32 HydrophobicContact CE2-CG 4.29Å; Y28-L32 VanDerWaalsContact CZ-CD1 3.42Å; Y28-L32 PolarHBondContact O-N 2.87Å; Y28-L32 WeakPolarHBondContact OH-CD1 3.49Å; Y28-V44 HydrophobicContact CD1-CG1 3.87Å; Y28-V44 HydrophobicContact CD1-CG2 4.46Å; Y28-V44 HydrophobicContact CE1-CG2 4.49Å; Y28-V44 HydrophobicContact CG-CG1 4.23Å; Y28-V191 HydrophobicContact CD1-CG1 4.49Å; Y28-V191 HydrophobicContact CD2-CG2 4.32Å; Y28-V191 HydrophobicContact CE1-CB 4.29Å; Y28-V191 HydrophobicContact CE1-CG1 3.69Å; Y28-V191 HydrophobicContact CE2-CB 3.81Å; Y28-V191 HydrophobicContact CE2-CG1 4.11Å; Y28-V191 HydrophobicContact CE2-CG2 3.81Å; Y28-V191 VanDerWaalsContact CZ-CG1 3.46Å; Y28-V191 WeakPolarHBondContact OH-CB 3.4Å; Y28-V191 WeakPolarHBondContact OH-CG1 3.28Å |
| 29 | R | 85.1 | Confident | 78.7 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.6 | -174.5 | -178.5 | -62.1 | 150.9 | 8 | 112.1 | P25 M27 L31 L32 G33 E41 | P25-R29 WeakPolarHBondContact O-CB 3.06Å; P25-R29 PolarHBondContact O-N 3.08Å; M27-R29 PolarHBondContact O-N 2.94Å; R29-L31 VanDerWaalsContact C-N 3.33Å; R29-L32 PolarHBondContact O-N 2.04Å; R29-G33 PolarHBondContact O-N 3.15Å; R29-E41 IonicContact CZ-OE1 3.36Å; R29-E41 IonicContact NH1-OE1 2.81Å; R29-E41 IonicContact NH2-OE1 3.17Å; R29-E41 PolarHBondContact NH2-OE1 2.04Å |
| 30 | R | 85.8 | Confident | 77.9 | Confident | 225 Ų | 225 | 60.9 Ų | 60.9 | 85% | 0.849 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.6 | -33.5 | 176.7 | -72.7 | -162.6 | -176.9 | -148.7 | 3 | 112.7 | L26 M27 Y28 | L26-R30 PolarHBondContact O-N 3.17Å; M27-R30 PolarHBondContact O-N 3.31Å; M27-R30 VanDerWaalsContact O-N 3.14Å; Y28-R30 VanDerWaalsContact C-N 3.33Å; Y28-R30 PolarHBondContact O-N 3.5Å |
| 31 | L | 82.4 | Confident | 77.1 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 175.1 | -72.4 | -174.4 | 0 | 0 | 0 | 112.6 | M27 Y28 R29 V181 R184 | M27-L31 WeakPolarHBondContact O-CG 3.35Å; M27-L31 PolarHBondContact O-N 2.97Å; M27-L31 HydrophobicContact SD-CD1 3.23Å; M27-L31 WeakPolarHBondContact SD-CD1 3.36Å; M27-L31 HydrophobicContact SD-CG 3.71Å; Y28-L31 WeakPolarHBondContact O-CB 3.39Å; Y28-L31 PolarHBondContact O-N 2.03Å; Y28-L31 VanDerWaalsContact O-N 3.13Å; R29-L31 VanDerWaalsContact C-N 3.33Å; L31-V181 HydrophobicContact CD2-CB 4.2Å; L31-V181 HydrophobicContact CD2-CG1 4.37Å; L31-V181 HydrophobicContact CD2-CG2 3.77Å; L31-R184 HydrophobicContact CB-CG 4.4Å; L31-R184 HydrophobicContact CD1-CB 4.44Å; L31-R184 PolarHBondContact O-NE 3.36Å; L31-R184 PolarHBondContact O-NH2 3.01Å |
| 32 | L | 74.6 | Confident | 76.6 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -81.1 | -22.1 | -179.7 | -67.7 | -171.7 | 0 | 0 | 0 | 113.8 | Y28 R29 A36 | Y28-L32 HydrophobicContact CD1-CD1 4.02Å; Y28-L32 HydrophobicContact CD1-CG 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.28Å; Y28-L32 HydrophobicContact CE1-CG 4.02Å; Y28-L32 HydrophobicContact CE2-CD1 4.25Å; Y28-L32 HydrophobicContact CE2-CD2 4.45Å; Y28-L32 HydrophobicContact CE2-CG 4.29Å; Y28-L32 VanDerWaalsContact CZ-CD1 3.42Å; Y28-L32 PolarHBondContact O-N 2.87Å; Y28-L32 WeakPolarHBondContact OH-CD1 3.49Å; R29-L32 PolarHBondContact O-N 2.04Å; L32-A36 HydrophobicContact CB-CB 4.32Å; L32-A36 HydrophobicContact CD1-CB 4.36Å |
| 33 | G | 66.8 | Low | 76.3 | Confident | 44 Ų | 44 | 66 Ų | 66 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | 65.1 | -147.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | R29 G35 A36 | R29-G33 PolarHBondContact O-N 3.15Å; G33-G35 PolarHBondContact O-N 3.29Å; G33-A36 PolarHBondContact O-N 2.88Å |
| 34 | S | 55.8 | Low | 76 | Confident | 141 Ų | 141 | 64.8 Ų | 64.8 | 99% | 0.986 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -66.8 | -8.7 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | A36 | S34-A36 VanDerWaalsContact C-N 3.31Å; S34-A36 PolarHBondContact O-N 2.98Å |
| 35 | G | 55.1 | Low | 75.6 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -88.1 | 15.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G33 S37 | G33-G35 PolarHBondContact O-N 3.29Å; G35-S37 PolarHBondContact O-N 2.79Å; G35-S37 VanDerWaalsContact O-N 3.07Å |
| 36 | A | 57.3 | Low | 75.4 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | trans | -61.2 | 111.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L32 G33 S34 | L32-A36 HydrophobicContact CB-CB 4.32Å; L32-A36 HydrophobicContact CD1-CB 4.36Å; G33-A36 PolarHBondContact O-N 2.88Å; S34-A36 VanDerWaalsContact C-N 3.31Å; S34-A36 PolarHBondContact O-N 2.98Å | ||
| 37 | S | 56.5 | Low | 75.1 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 42% | 0.42 | 39% | 0.393 | S | S | . | . | trans | -60.1 | 158 | 173.8 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | G35 A39 | G35-S37 PolarHBondContact O-N 2.79Å; G35-S37 VanDerWaalsContact O-N 3.07Å; S37-A39 PolarHBondContact O-N 3.33Å | ||
| 38 | A | 58.9 | Low | 74.9 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 81% | 0.81 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -65.9 | 31.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S40 | A38-S40 PolarHBondContact O-N 3Š|
| 39 | A | 65.6 | Low | 74.7 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 20% | 0.198 | 43% | 0.43 | C | S | . | . | trans | -68.5 | 126.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S37 E41 V44 C195 | S37-A39 PolarHBondContact O-N 3.33Å; A39-E41 PolarHBondContact O-N 3.4Å; A39-V44 HydrophobicContact CB-CG2 4Å; A39-C195 HydrophobicContact CB-CB 3.64Å | ||
| 40 | S | 76.9 | Confident | 74.4 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | trans | -56.5 | 137.1 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | A38 E42 C43 V44 | A38-S40 PolarHBondContact O-N 3Å; S40-E42 PolarHBondContact O-N 3.3Å; S40-E42 VanDerWaalsContact O-N 3.1Å; S40-E42 PolarHBondContact OG-N 2.79Å; S40-C43 PolarHBondContact O-N 2.84Å; S40-V44 PolarHBondContact O-N 3.42Å; S40-V44 VanDerWaalsContact O-N 3.15Å | ||
| 41 | E | 76.4 | Confident | 74.1 | Confident | 92 Ų | 92 | 63.5 Ų | 63.5 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -52.4 | -32.5 | 174.7 | -94.1 | -161.3 | 161.5 | 0 | 0 | 112.2 | R29 A39 V44 R45 | R29-E41 IonicContact CZ-OE1 3.36Å; R29-E41 IonicContact NH1-OE1 2.81Å; R29-E41 IonicContact NH2-OE1 3.17Å; R29-E41 PolarHBondContact NH2-OE1 2.04Å; A39-E41 PolarHBondContact O-N 3.4Å; E41-V44 PolarHBondContact O-N 3.14Å; E41-R45 VanDerWaalsContact O-CB 3.3Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 PolarHBondContact O-N 3.39Å |
| 42 | E | 81.4 | Confident | 74.3 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 59% | 0.589 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.3 | -36.6 | -179.6 | -159.6 | 60.4 | -156.9 | 0 | 0 | 111.9 | S40 R45 G46 | S40-E42 PolarHBondContact O-N 3.3Å; S40-E42 VanDerWaalsContact O-N 3.1Å; S40-E42 PolarHBondContact OG-N 2.79Å; E42-R45 PolarHBondContact O-N 3.36Å; E42-R45 IonicContact OE2-NE 3.42Å; E42-G46 PolarHBondContact O-N 2.93Å |
| 43 | C | 85.5 | Confident | 75 | Confident | 44 Ų | 44 | 63 Ų | 63 | 30% | 0.297 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | S40 R45 G46 A47 C195 | S40-C43 PolarHBondContact O-N 2.84Å; C43-R45 VanDerWaalsContact C-N 3.27Å; C43-R45 PolarHBondContact O-N 2.85Å; C43-G46 WeakPolarHBondContact O-CA 3.47Å; C43-G46 PolarHBondContact O-N 3.13Å; C43-A47 PolarHBondContact O-N 3.07Å; C43-C195 HydrophobicContact CB-CB 3.89Å; C43-C195 WeakPolarHBondContact CB-SG 3.45Å; C43-C195 WeakPolarHBondContact SG-CA 3.39Å; C43-C195 WeakPolarHBondContact SG-CB 3.31Å; C43-C195 CovalentContact SG-SG 2.04Å; C43-C195 PolarHBondContact SG-SG 2.92Å |
| 44 | V | 85.4 | Confident | 76.3 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | F24 P25 Y28 A39 S40 E41 G46 A47 V191 | F24-V44 HydrophobicContact CD1-CG1 4.04Å; F24-V44 VanDerWaalsContact CD1-O 3.22Å; F24-V44 WeakPolarHBondContact CD1-O 3.43Å; F24-V44 HydrophobicContact CE1-CG1 3.82Å; F24-V44 WeakPolarHBondContact CE1-O 3.43Å; P25-V44 HydrophobicContact CB-CG1 4.15Å; P25-V44 HydrophobicContact CG-CG1 4.33Å; Y28-V44 HydrophobicContact CD1-CG1 3.87Å; Y28-V44 HydrophobicContact CD1-CG2 4.46Å; Y28-V44 HydrophobicContact CE1-CG2 4.49Å; Y28-V44 HydrophobicContact CG-CG1 4.23Å; A39-V44 HydrophobicContact CB-CG2 4Å; S40-V44 PolarHBondContact O-N 3.42Å; S40-V44 VanDerWaalsContact O-N 3.15Å; E41-V44 PolarHBondContact O-N 3.14Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 3.23Å; V44-A47 PolarHBondContact O-N 2.89Å; V44-V191 HydrophobicContact CG2-CG1 4.08Å |
| 45 | R | 84.4 | Confident | 78 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 173.6 | -174.5 | -173 | -54.5 | -67.9 | 0.4 | 111.8 | G21 P25 E41 E42 C43 W48 | G21-R45 PolarHBondContact O-NH1 2.71Å; G21-R45 VanDerWaalsContact O-NH1 3.12Å; P25-R45 HydrophobicContact CG-CB 4.27Å; E41-R45 VanDerWaalsContact O-CB 3.3Å; E41-R45 WeakPolarHBondContact O-CB 3.49Å; E41-R45 PolarHBondContact O-N 3.39Å; E42-R45 PolarHBondContact O-N 3.36Å; E42-R45 IonicContact OE2-NE 3.42Å; C43-R45 VanDerWaalsContact C-N 3.27Å; C43-R45 PolarHBondContact O-N 2.85Å; R45-W48 WeakPolarHBondContact O-CB 3.26Å |
| 46 | G | 83.6 | Confident | 79.8 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E42 C43 V44 W48 K49 | E42-G46 PolarHBondContact O-N 2.93Å; C43-G46 WeakPolarHBondContact O-CA 3.47Å; C43-G46 PolarHBondContact O-N 3.13Å; V44-G46 VanDerWaalsContact C-N 3.34Å; V44-G46 PolarHBondContact O-N 3.23Å; G46-W48 PolarHBondContact O-N 2.97Å; G46-W48 VanDerWaalsContact O-N 3.12Å; G46-K49 PolarHBondContact O-N 2.81Å |
| 47 | A | 84.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -19.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | F24 C43 V44 K49 D50 S51 V191 M194 | F24-A47 HydrophobicContact CE1-CB 4.45Å; C43-A47 PolarHBondContact O-N 3.07Å; V44-A47 PolarHBondContact O-N 2.89Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 3.37Å; A47-D50 PolarHBondContact O-N 3.4Å; A47-S51 VanDerWaalsContact O-CB 3.26Å; A47-S51 WeakPolarHBondContact O-CB 3.04Å; A47-S51 PolarHBondContact O-N 3.47Å; A47-S51 VanDerWaalsContact O-N 3.14Å; A47-V191 HydrophobicContact CB-CG2 4.06Å; A47-M194 HydrophobicContact CB-CE 4.05Å; A47-M194 HydrophobicContact CB-SD 3.89Å |
| 48 | W | 85.4 | Confident | 83.4 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -50.8 | -47.2 | 175.7 | 161.8 | -114.6 | 0 | 0 | 0 | 112.4 | F20 F24 R45 G46 D50 S51 A53 F54 P58 | F20-W48 HydrophobicContact CB-CZ2 3.84Å; F20-W48 HydrophobicContact CG-CZ2 4.41Å; F24-W48 HydrophobicContact CB-CB 4.06Å; F24-W48 HydrophobicContact CB-CD2 4.22Å; F24-W48 HydrophobicContact CB-CE3 3.98Å; F24-W48 HydrophobicContact CB-CG 4.25Å; F24-W48 HydrophobicContact CD1-CB 3.72Å; F24-W48 AromaticContact CD2-CE3 3.62Å; F24-W48 HydrophobicContact CD2-CE3 3.62Å; F24-W48 HydrophobicContact CD2-CZ3 4.37Å; F24-W48 HydrophobicContact CE1-CB 4.31Å; F24-W48 HydrophobicContact CE2-CE3 4.3Å; F24-W48 HydrophobicContact CG-CB 3.87Å; F24-W48 HydrophobicContact CG-CD2 4.38Å; F24-W48 AromaticContact CG-CE3 3.87Å; F24-W48 HydrophobicContact CG-CE3 3.87Å; F24-W48 HydrophobicContact CG-CG 4.4Å; R45-W48 WeakPolarHBondContact O-CB 3.26Å; G46-W48 PolarHBondContact O-N 2.97Å; G46-W48 VanDerWaalsContact O-N 3.12Å; W48-D50 PolarHBondContact O-N 3.27Å; W48-S51 PolarHBondContact O-N 3.36Å; W48-S51 PolarHBondContact O-OG 3.36Å; W48-A53 HydrophobicContact CE3-CB 4.22Å; W48-A53 HydrophobicContact CZ3-CB 3.83Å; W48-F54 HydrophobicContact CD2-CD2 4.43Å; W48-F54 HydrophobicContact CD2-CE2 4.36Å; W48-F54 AromaticContact CE3-CD2 3.7Å; W48-F54 HydrophobicContact CE3-CD2 3.7Å; W48-F54 AromaticContact CE3-CE2 3.68Å; W48-F54 HydrophobicContact CE3-CE2 3.68Å; W48-F54 HydrophobicContact CH2-CB 3.7Å; W48-F54 AromaticContact CH2-CD2 3.07Å; W48-F54 HydrophobicContact CH2-CD2 3.07Å; W48-F54 AromaticContact CH2-CE2 3.92Å; W48-F54 HydrophobicContact CH2-CE2 3.92Å; W48-F54 AromaticContact CH2-CG 3.75Å; W48-F54 HydrophobicContact CH2-CG 3.75Å; W48-F54 AromaticContact CZ2-CD2 3.8Å; W48-F54 HydrophobicContact CZ2-CD2 3.8Å; W48-F54 HydrophobicContact CZ2-CE2 4.45Å; W48-F54 HydrophobicContact CZ3-CB 3.97Å; W48-F54 AromaticContact CZ3-CD2 2.96Å; W48-F54 HydrophobicContact CZ3-CD2 2.96Å; W48-F54 AromaticContact CZ3-CE2 3.44Å; W48-F54 HydrophobicContact CZ3-CE2 3.44Å; W48-F54 VanDerWaalsContact CZ3-CE2 3.44Å; W48-F54 AromaticContact CZ3-CG 3.64Å; W48-F54 HydrophobicContact CZ3-CG 3.64Å; W48-F54 HydrophobicContact CZ3-CZ 4.49Å; W48-P58 HydrophobicContact CH2-CG 3.79Å; W48-P58 HydrophobicContact CZ2-CB 4.36Å; W48-P58 HydrophobicContact CZ2-CG 3.88Å |
| 49 | K | 81.5 | Confident | 85.1 | Confident | 176 Ų | 176 | 57.4 Ų | 57.4 | 77% | 0.765 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.6 | -37.8 | -170.6 | -71.8 | -176 | 178 | 178.9 | 0 | 112.8 | G46 A47 | G46-K49 PolarHBondContact O-N 2.81Å; A47-K49 VanDerWaalsContact C-N 3.28Å; A47-K49 PolarHBondContact O-N 3.37Å |
| 50 | D | 77.8 | Confident | 86.4 | Confident | 121 Ų | 121 | 59 Ų | 59 | 65% | 0.647 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -100.9 | -11 | -174.8 | -50.9 | -43.9 | 0 | 0 | 0 | 112.7 | A47 W48 G52 | A47-D50 PolarHBondContact O-N 3.4Å; W48-D50 PolarHBondContact O-N 3.27Å; D50-G52 PolarHBondContact O-N 2.93Å |
| 51 | S | 81.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.6 | -27.4 | -175.1 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | A47 W48 A53 R186 | A47-S51 VanDerWaalsContact O-CB 3.26Å; A47-S51 WeakPolarHBondContact O-CB 3.04Å; A47-S51 PolarHBondContact O-N 3.47Å; A47-S51 VanDerWaalsContact O-N 3.14Å; W48-S51 PolarHBondContact O-N 3.36Å; W48-S51 PolarHBondContact O-OG 3.36Å; S51-A53 PolarHBondContact O-N 3.37Å; S51-A53 VanDerWaalsContact O-N 3.13Å; S51-A53 WeakPolarHBondContact OG-CB 3.07Å; S51-A53 PolarHBondContact OG-N 2.9Å; S51-R186 PolarHBondContact O-NH1 2.93Å; S51-R186 PolarHBondContact O-NH2 3.4Å |
| 52 | G | 85.1 | Confident | 88.1 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | trans | 54.5 | 25.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D50 F54 G55 | D50-G52 PolarHBondContact O-N 2.93Å; G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.06Å; G52-G55 PolarHBondContact O-N 3.45Å | ||
| 53 | A | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.8 | -166 | 0 | 0 | 0 | 0 | 0 | 114.2 | F24 M27 W48 S51 A180 L187 | F24-A53 HydrophobicContact CD2-CB 3.79Å; F24-A53 HydrophobicContact CE2-CB 3.43Å; F24-A53 VanDerWaalsContact CE2-CB 3.43Å; M27-A53 HydrophobicContact CE-CB 4.36Å; W48-A53 HydrophobicContact CE3-CB 4.22Å; W48-A53 HydrophobicContact CZ3-CB 3.83Å; S51-A53 PolarHBondContact O-N 3.37Å; S51-A53 VanDerWaalsContact O-N 3.13Å; S51-A53 WeakPolarHBondContact OG-CB 3.07Å; S51-A53 PolarHBondContact OG-N 2.9Å; A53-A180 HydrophobicContact CB-CB 4.42Å; A53-A180 WeakPolarHBondContact O-CA 3.17Å; A53-A180 WeakPolarHBondContact O-CB 3.29Å; A53-A180 PolarHBondContact O-N 2.96Å; A53-L187 HydrophobicContact CB-CD1 3.61Å; A53-L187 HydrophobicContact CB-CD2 3.52Å; A53-L187 HydrophobicContact CB-CG 4.22Å |
| 54 | F | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 13.5 | 179.6 | -57.9 | -50.7 | 0 | 0 | 0 | 112.8 | F20 L23 F24 M27 W48 G52 Y57 P58 A176 L177 A180 | F20-F54 HydrophobicContact CB-CD2 4.11Å; F20-F54 HydrophobicContact CB-CE2 4.16Å; F20-F54 HydrophobicContact CD1-CB 4.46Å; F20-F54 AromaticContact CD1-CD2 3.14Å; F20-F54 HydrophobicContact CD1-CD2 3.14Å; F20-F54 AromaticContact CD1-CE2 3.47Å; F20-F54 HydrophobicContact CD1-CE2 3.47Å; F20-F54 VanDerWaalsContact CD1-CE2 3.47Å; F20-F54 AromaticContact CD1-CG 3.86Å; F20-F54 HydrophobicContact CD1-CG 3.86Å; F20-F54 HydrophobicContact CD1-CZ 4.31Å; F20-F54 HydrophobicContact CE1-CB 4.32Å; F20-F54 AromaticContact CE1-CD2 3.74Å; F20-F54 HydrophobicContact CE1-CD2 3.74Å; F20-F54 HydrophobicContact CE1-CE2 4.3Å; F20-F54 AromaticContact CE1-CG 3.98Å; F20-F54 HydrophobicContact CE1-CG 3.98Å; F20-F54 AromaticContact CG-CD2 3.93Å; F20-F54 HydrophobicContact CG-CD2 3.93Å; F20-F54 HydrophobicContact CG-CE2 4.27Å; L23-F54 HydrophobicContact CB-CZ 4.38Å; L23-F54 HydrophobicContact CD2-CE1 4.41Å; L23-F54 HydrophobicContact CD2-CZ 4.09Å; L23-F54 HydrophobicContact CG-CZ 4.01Å; F24-F54 HydrophobicContact CB-CE2 4Å; F24-F54 HydrophobicContact CB-CZ 4.17Å; F24-F54 HydrophobicContact CD2-CE2 4.32Å; F24-F54 HydrophobicContact CD2-CZ 4.25Å; M27-F54 HydrophobicContact CE-CE1 3.82Å; M27-F54 HydrophobicContact CE-CZ 3.87Å; M27-F54 HydrophobicContact CG-CE1 4.32Å; W48-F54 HydrophobicContact CD2-CD2 4.43Å; W48-F54 HydrophobicContact CD2-CE2 4.36Å; W48-F54 AromaticContact CE3-CD2 3.7Å; W48-F54 HydrophobicContact CE3-CD2 3.7Å; W48-F54 AromaticContact CE3-CE2 3.68Å; W48-F54 HydrophobicContact CE3-CE2 3.68Å; W48-F54 HydrophobicContact CH2-CB 3.7Å; W48-F54 AromaticContact CH2-CD2 3.07Å; W48-F54 HydrophobicContact CH2-CD2 3.07Å; W48-F54 AromaticContact CH2-CE2 3.92Å; W48-F54 HydrophobicContact CH2-CE2 3.92Å; W48-F54 AromaticContact CH2-CG 3.75Å; W48-F54 HydrophobicContact CH2-CG 3.75Å; W48-F54 AromaticContact CZ2-CD2 3.8Å; W48-F54 HydrophobicContact CZ2-CD2 3.8Å; W48-F54 HydrophobicContact CZ2-CE2 4.45Å; W48-F54 HydrophobicContact CZ3-CB 3.97Å; W48-F54 AromaticContact CZ3-CD2 2.96Å; W48-F54 HydrophobicContact CZ3-CD2 2.96Å; W48-F54 AromaticContact CZ3-CE2 3.44Å; W48-F54 HydrophobicContact CZ3-CE2 3.44Å; W48-F54 VanDerWaalsContact CZ3-CE2 3.44Å; W48-F54 AromaticContact CZ3-CG 3.64Å; W48-F54 HydrophobicContact CZ3-CG 3.64Å; W48-F54 HydrophobicContact CZ3-CZ 4.49Å; G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.06Å; F54-Y57 VanDerWaalsContact O-CD2 3.26Å; F54-Y57 WeakPolarHBondContact O-CD2 3.43Å; F54-Y57 PolarHBondContact O-N 2.83Å; F54-P58 HydrophobicContact CB-CG 3.61Å; F54-P58 HydrophobicContact CD2-CG 4.38Å; F54-P58 HydrophobicContact CG-CG 4.47Å; F54-P58 WeakPolarHBondContact O-CD 3.41Å; F54-A176 HydrophobicContact CB-CB 3.99Å; F54-A176 HydrophobicContact CD1-CB 4.15Å; F54-A176 WeakPolarHBondContact CD1-O 3.39Å; F54-A176 HydrophobicContact CG-CB 4.3Å; F54-L177 HydrophobicContact CE1-CD2 4.06Å; F54-A180 HydrophobicContact CD1-CB 3.88Å; F54-A180 HydrophobicContact CE1-CB 3.89Å |
| 55 | G | 91.7 | Very high | 89.5 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -137 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G52 Y57 | G52-G55 PolarHBondContact O-N 3.45Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 3.16Å |
| 56 | P | 93.9 | Very high | 89.9 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.1 | -176.7 | 32.9 | -35.9 | 0 | 0 | 0 | 113.6 | K59 L60 | P56-K59 PolarHBondContact O-N 3.06Å; P56-L60 PolarHBondContact O-N 2.85Å |
| 57 | Y | 94.9 | Very high | 90.2 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | -167.5 | -61.9 | -72.6 | 0 | 0 | 0 | 114.7 | F54 G55 K59 L60 I61 L172 L175 A176 Q179 | F54-Y57 VanDerWaalsContact O-CD2 3.26Å; F54-Y57 WeakPolarHBondContact O-CD2 3.43Å; F54-Y57 PolarHBondContact O-N 2.83Å; G55-Y57 VanDerWaalsContact C-N 3.32Å; G55-Y57 PolarHBondContact O-N 3.16Å; Y57-K59 PolarHBondContact O-N 2.82Å; Y57-L60 PolarHBondContact O-N 2.99Å; Y57-I61 WeakPolarHBondContact O-CB 3.09Å; Y57-I61 WeakPolarHBondContact O-CG1 3.33Å; Y57-I61 PolarHBondContact O-N 3.35Å; Y57-L172 HydrophobicContact CD1-CD2 4.38Å; Y57-L175 HydrophobicContact CD1-CB 4.15Å; Y57-L175 HydrophobicContact CE1-CB 3.58Å; Y57-L175 HydrophobicContact CE1-CD1 3.87Å; Y57-L175 HydrophobicContact CE1-CG 4.36Å; Y57-L175 HydrophobicContact CE2-CB 3.96Å; Y57-L175 VanDerWaalsContact CZ-CB 3.48Å; Y57-A176 VanDerWaalsContact CD2-CA 3.48Å; Y57-A176 HydrophobicContact CD2-CB 4.01Å; Y57-A176 HydrophobicContact CG-CB 4.06Å; Y57-Q179 HydrophobicContact CE2-CB 4.28Å |
| 58 | P | 94.4 | Very high | 90.7 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 173.7 | -24.9 | 34 | 0 | 0 | 0 | 113 | F20 W48 F54 I61 M62 | F20-P58 HydrophobicContact CD1-CG 4.22Å; F20-P58 HydrophobicContact CD2-CB 3.67Å; F20-P58 HydrophobicContact CD2-CG 3.93Å; F20-P58 HydrophobicContact CE1-CG 4.17Å; F20-P58 HydrophobicContact CE2-CB 3.73Å; F20-P58 HydrophobicContact CE2-CG 3.92Å; F20-P58 HydrophobicContact CG-CB 4.25Å; F20-P58 HydrophobicContact CG-CG 4.07Å; F20-P58 HydrophobicContact CZ-CB 4.32Å; F20-P58 HydrophobicContact CZ-CG 4.02Å; W48-P58 HydrophobicContact CH2-CG 3.79Å; W48-P58 HydrophobicContact CZ2-CB 4.36Å; W48-P58 HydrophobicContact CZ2-CG 3.88Å; F54-P58 HydrophobicContact CB-CG 3.61Å; F54-P58 HydrophobicContact CD2-CG 4.38Å; F54-P58 HydrophobicContact CG-CG 4.47Å; F54-P58 WeakPolarHBondContact O-CD 3.41Å; P58-I61 PolarHBondContact O-N 3.41Å; P58-M62 VanDerWaalsContact O-CB 3.29Å; P58-M62 WeakPolarHBondContact O-CB 3.05Å; P58-M62 PolarHBondContact O-N 3.36Å |
| 59 | K | 93.1 | Very high | 91.1 | Very high | 154 Ų | 154 | 47.4 Ų | 47.4 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 177.1 | -70.1 | -176.6 | 178.2 | 178.9 | 0 | 111.3 | P56 Y57 M62 T63 | P56-K59 PolarHBondContact O-N 3.06Å; Y57-K59 PolarHBondContact O-N 2.82Å; K59-M62 PolarHBondContact O-N 3.25Å; K59-T63 WeakPolarHBondContact O-CB 3.09Å; K59-T63 PolarHBondContact O-N 3.42Å; K59-T63 PolarHBondContact O-OG1 3.4Å |
| 60 | L | 93.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 176.4 | -178.6 | 61.8 | 0 | 0 | 0 | 111.8 | P56 Y57 T63 R64 L172 | P56-L60 PolarHBondContact O-N 2.85Å; Y57-L60 PolarHBondContact O-N 2.99Å; L60-T63 PolarHBondContact O-N 3.22Å; L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CG 3.41Å; L60-R64 PolarHBondContact O-N 2.95Å; L60-L172 HydrophobicContact CD2-CD2 3.99Å |
| 61 | I | 95.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 177.5 | -73.5 | 167.5 | 0 | 0 | 0 | 110.4 | V16 F20 Y57 P58 T63 R64 L65 L169 L172 I173 | V16-I61 HydrophobicContact CG1-CG2 4.26Å; V16-I61 HydrophobicContact CG2-CG2 4.03Å; F20-I61 HydrophobicContact CE2-CD1 3.98Å; F20-I61 HydrophobicContact CZ-CD1 3.71Å; Y57-I61 WeakPolarHBondContact O-CB 3.09Å; Y57-I61 WeakPolarHBondContact O-CG1 3.33Å; Y57-I61 PolarHBondContact O-N 3.35Å; P58-I61 PolarHBondContact O-N 3.41Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 2.98Å; I61-R64 PolarHBondContact O-N 3.33Å; I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 VanDerWaalsContact O-CB 3.27Å; I61-L65 WeakPolarHBondContact O-CB 3.43Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.45Å; I61-L169 HydrophobicContact CB-CD2 4.44Å; I61-L169 HydrophobicContact CD1-CD2 4.48Å; I61-L169 HydrophobicContact CG1-CD2 4.09Å; I61-L169 HydrophobicContact CG2-CD2 3.66Å; I61-L172 HydrophobicContact CD1-CB 3.88Å; I61-L172 HydrophobicContact CG1-CB 3.97Å; I61-L172 HydrophobicContact CG1-CD1 3.8Å; I61-I173 HydrophobicContact CD1-CG1 4.24Å |
| 62 | M | 94.3 | Very high | 93 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -46.7 | 176.1 | -179.9 | -174.2 | 68.3 | 0 | 0 | 111.6 | D13 V16 P58 K59 S66 | D13-M62 HydrophobicContact CB-CG 4.5Å; D13-M62 HydrophobicContact CB-SD 3.82Å; V16-M62 HydrophobicContact CB-CB 4.26Å; V16-M62 HydrophobicContact CG1-CB 4.17Å; V16-M62 HydrophobicContact CG2-CB 4.24Å; P58-M62 VanDerWaalsContact O-CB 3.29Å; P58-M62 WeakPolarHBondContact O-CB 3.05Å; P58-M62 PolarHBondContact O-N 3.36Å; K59-M62 PolarHBondContact O-N 3.25Å; M62-S66 VanDerWaalsContact O-CB 3.24Å; M62-S66 WeakPolarHBondContact O-CB 3.28Å; M62-S66 PolarHBondContact O-N 3.48Å; M62-S66 PolarHBondContact O-OG 3.39Å |
| 63 | T | 93 | Very high | 93.4 | Very high | 50 Ų | 50 | 36 Ų | 36 | 31% | 0.307 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64 | -49.7 | -179.2 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | K59 L60 I61 S66 R67 | K59-T63 WeakPolarHBondContact O-CB 3.09Å; K59-T63 PolarHBondContact O-N 3.42Å; K59-T63 PolarHBondContact O-OG1 3.4Å; L60-T63 PolarHBondContact O-N 3.22Å; I61-T63 VanDerWaalsContact C-N 3.32Å; I61-T63 PolarHBondContact O-N 2.98Å; T63-S66 PolarHBondContact O-N 2.91Å; T63-R67 VanDerWaalsContact CG2-CZ 3.43Å; T63-R67 VanDerWaalsContact O-CG 3.29Å; T63-R67 WeakPolarHBondContact O-CG 3.19Å; T63-R67 PolarHBondContact O-N 2.92Å; T63-R67 VanDerWaalsContact O-N 3.17Å |
| 64 | R | 93.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 17% | 0.174 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 179.8 | -70.2 | -174.5 | 174.8 | 176.4 | 2 | 111.8 | L60 I61 R67 S68 E159 V165 | L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CG 3.41Å; L60-R64 PolarHBondContact O-N 2.95Å; I61-R64 PolarHBondContact O-N 3.33Å; R64-R67 PolarHBondContact O-N 3.2Å; R64-S68 WeakPolarHBondContact O-CB 3.3Å; R64-S68 PolarHBondContact O-N 3.34Å; R64-S68 PolarHBondContact O-OG 2.73Å; R64-S68 VanDerWaalsContact O-OG 3.11Å; R64-E159 HydrophobicContact CG-CB 4.22Å; R64-E159 HydrophobicContact CG-CG 4.33Å; R64-E159 IonicContact CZ-OE1 2.64Å; R64-E159 VanDerWaalsContact NE-CD 3.29Å; R64-E159 IonicContact NE-OE1 3.99Å; R64-E159 PolarHBondContact NE-OE1 3.39Å; R64-E159 IonicContact NE-OE2 2.54Å; R64-E159 IonicContact NH2-OE1 2.79Å; R64-E159 PolarHBondContact NH2-OE1 2.89Å; R64-V165 HydrophobicContact CB-CG1 3.96Å; R64-V165 HydrophobicContact CB-CG2 4.08Å |
| 65 | L | 94.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.5 | -76.3 | 175.5 | 0 | 0 | 0 | 112.5 | M1 V12 V16 I61 R67 L69 V165 L169 | M1-L65 HydrophobicContact SD-CD1 4.19Å; M1-L65 HydrophobicContact SD-CD2 3.73Å; V12-L65 HydrophobicContact CG1-CB 3.65Å; V16-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 VanDerWaalsContact O-CB 3.27Å; I61-L65 WeakPolarHBondContact O-CB 3.43Å; I61-L65 WeakPolarHBondContact O-CG 3.49Å; I61-L65 PolarHBondContact O-N 3.45Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.27Å; L65-L69 HydrophobicContact CB-CD1 4.22Å; L65-L69 HydrophobicContact CD2-CD1 4.32Å; L65-L69 HydrophobicContact CD2-CG 4.49Å; L65-L69 WeakPolarHBondContact O-CB 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.47Å; L65-L69 PolarHBondContact O-N 3.08Å; L65-V165 HydrophobicContact CD2-CG1 3.74Å; L65-V165 HydrophobicContact CG-CG1 4.12Å; L65-L169 HydrophobicContact CD1-CD2 4.22Å; L65-L169 HydrophobicContact CD2-CD1 4.31Å; L65-L169 HydrophobicContact CG-CD2 4.37Å |
| 66 | S | 92.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -42.3 | -179.6 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | V12 M62 T63 L70 | V12-S66 WeakPolarHBondContact CB-OG 3.45Å; V12-S66 VanDerWaalsContact CG1-OG 3.29Å; V12-S66 WeakPolarHBondContact CG1-OG 3.43Å; M62-S66 VanDerWaalsContact O-CB 3.24Å; M62-S66 WeakPolarHBondContact O-CB 3.28Å; M62-S66 PolarHBondContact O-N 3.48Å; M62-S66 PolarHBondContact O-OG 3.39Å; T63-S66 PolarHBondContact O-N 2.91Å; S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 PolarHBondContact O-N 3.05Å |
| 67 | R | 90.8 | Very high | 94 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.6 | -55.5 | 178.3 | -67.7 | 169.6 | -179.6 | -179.5 | -0.2 | 111.3 | T63 R64 L65 L69 L70 A71 E159 | T63-R67 VanDerWaalsContact CG2-CZ 3.43Å; T63-R67 VanDerWaalsContact O-CG 3.29Å; T63-R67 WeakPolarHBondContact O-CG 3.19Å; T63-R67 PolarHBondContact O-N 2.92Å; T63-R67 VanDerWaalsContact O-N 3.17Å; R64-R67 PolarHBondContact O-N 3.2Å; L65-R67 VanDerWaalsContact C-N 3.27Å; L65-R67 PolarHBondContact O-N 3.27Å; R67-L69 PolarHBondContact O-N 3.45Å; R67-L70 PolarHBondContact O-N 3.26Å; R67-A71 PolarHBondContact O-N 3.28Å; R67-E159 IonicContact NH1-OE2 3.08Å |
| 68 | S | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.5 | -37.9 | -173.6 | 67.6 | 0 | 0 | 0 | 0 | 113 | R64 T72 Q160 | R64-S68 WeakPolarHBondContact O-CB 3.3Å; R64-S68 PolarHBondContact O-N 3.34Å; R64-S68 PolarHBondContact O-OG 2.73Å; R64-S68 VanDerWaalsContact O-OG 3.11Å; S68-T72 WeakPolarHBondContact O-CB 3.43Å; S68-T72 PolarHBondContact O-N 2.93Å; S68-T72 PolarHBondContact O-OG1 3.28Å; S68-Q160 WeakPolarHBondContact CA-O 3.32Å |
| 69 | L | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.8 | -36.3 | 177 | -65.6 | 174.3 | 0 | 0 | 0 | 112.3 | M1 Y4 I5 V12 M15 L65 R67 R73 M162 | M1-L69 HydrophobicContact CG-CD1 4.28Å; Y4-L69 HydrophobicContact CD1-CB 3.64Å; Y4-L69 HydrophobicContact CD1-CD1 4.21Å; Y4-L69 HydrophobicContact CD1-CG 4.42Å; Y4-L69 HydrophobicContact CE1-CB 3.53Å; I5-L69 HydrophobicContact CD1-CD2 3.77Å; I5-L69 HydrophobicContact CG1-CD2 3.81Å; V12-L69 HydrophobicContact CG2-CD1 3.89Å; M15-L69 HydrophobicContact CE-CD1 4.19Å; L65-L69 HydrophobicContact CB-CD1 4.22Å; L65-L69 HydrophobicContact CD2-CD1 4.32Å; L65-L69 HydrophobicContact CD2-CG 4.49Å; L65-L69 WeakPolarHBondContact O-CB 3.24Å; L65-L69 WeakPolarHBondContact O-CG 3.47Å; L65-L69 PolarHBondContact O-N 3.08Å; R67-L69 PolarHBondContact O-N 3.45Å; L69-R73 VanDerWaalsContact O-CB 3.28Å; L69-R73 WeakPolarHBondContact O-CB 3.43Å; L69-R73 PolarHBondContact O-N 3.29Å; L69-M162 HydrophobicContact CD2-CG 3.95Å |
| 70 | L | 92.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -48.6 | 175.2 | 178 | 63.5 | 0 | 0 | 0 | 111.1 | S66 R67 T72 R73 V74 V322 | S66-L70 WeakPolarHBondContact O-CB 3.41Å; S66-L70 PolarHBondContact O-N 3.05Å; R67-L70 PolarHBondContact O-N 3.26Å; L70-T72 VanDerWaalsContact C-N 3.33Å; L70-T72 PolarHBondContact O-N 2.94Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-V74 HydrophobicContact CD1-CG2 4.3Å; L70-V74 PolarHBondContact O-N 3.4Å; L70-V322 HydrophobicContact CD2-CG2 4.34Å; L70-V322 HydrophobicContact CG-CG2 4.28Å |
| 71 | A | 94 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | R67 R73 V74 F75 L152 M156 V322 | R67-A71 PolarHBondContact O-N 3.28Å; A71-R73 PolarHBondContact O-N 2.94Å; A71-V74 PolarHBondContact O-N 2.69Å; A71-F75 VanDerWaalsContact O-CB 3.27Å; A71-F75 WeakPolarHBondContact O-CB 3.27Å; A71-F75 PolarHBondContact O-N 2.94Å; A71-L152 HydrophobicContact CB-CD1 4.12Å; A71-M156 HydrophobicContact CB-CG 3.94Å; A71-M156 HydrophobicContact CB-SD 4.38Å; A71-V322 HydrophobicContact CB-CG1 4.45Å |
| 72 | T | 94.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | I5 S68 L70 F75 L76 M162 | I5-T72 HydrophobicContact CD1-CG2 4.33Å; I5-T72 HydrophobicContact CG2-CG2 4.31Å; S68-T72 WeakPolarHBondContact O-CB 3.43Å; S68-T72 PolarHBondContact O-N 2.93Å; S68-T72 PolarHBondContact O-OG1 3.28Å; L70-T72 VanDerWaalsContact C-N 3.33Å; L70-T72 PolarHBondContact O-N 2.94Å; T72-F75 PolarHBondContact O-N 3.37Å; T72-L76 HydrophobicContact CG2-CD1 4.13Å; T72-L76 WeakPolarHBondContact O-CG 3.47Å; T72-L76 PolarHBondContact O-N 3.42Å; T72-M162 HydrophobicContact CG2-CE 4.36Å; T72-M162 VanDerWaalsContact OG1-CB 3.28Å; T72-M162 WeakPolarHBondContact OG1-CB 3.44Å |
| 73 | R | 93.6 | Very high | 94.7 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 6% | 0.06 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 178.5 | -176 | 174 | -173.9 | 163.9 | -4.4 | 111.3 | Y4 G7 S8 L69 L70 A71 L76 Q77 R367 | Y4-R73 WeakPolarHBondContact O-CD 3.41Å; Y4-R73 PolarHBondContact O-NE 3.19Å; Y4-R73 PolarHBondContact O-NH1 3.22Å; G7-R73 PolarHBondContact O-NH2 3.2Å; S8-R73 PolarHBondContact O-NH1 2.87Å; S8-R73 PolarHBondContact O-NH2 3.32Å; L69-R73 VanDerWaalsContact O-CB 3.28Å; L69-R73 WeakPolarHBondContact O-CB 3.43Å; L69-R73 PolarHBondContact O-N 3.29Å; L70-R73 PolarHBondContact O-N 2.89Å; A71-R73 PolarHBondContact O-N 2.94Å; R73-L76 PolarHBondContact O-N 2.78Å; R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 VanDerWaalsContact O-CG 3.26Å; R73-Q77 WeakPolarHBondContact O-CG 3.45Å; R73-Q77 PolarHBondContact O-N 3.2Å; R73-R367 VanDerWaalsContact NH2-NH2 3.1Å |
| 74 | V | 94.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L70 A71 L76 Q77 A78 L152 I315 L318 L319 V322 | L70-V74 HydrophobicContact CD1-CG2 4.3Å; L70-V74 PolarHBondContact O-N 3.4Å; A71-V74 PolarHBondContact O-N 2.69Å; V74-L76 PolarHBondContact O-N 3.08Å; V74-Q77 PolarHBondContact O-N 3.48Å; V74-A78 WeakPolarHBondContact O-CB 3.48Å; V74-A78 PolarHBondContact O-N 3.16Å; V74-L152 HydrophobicContact CB-CD2 4.25Å; V74-L152 HydrophobicContact CG1-CD2 4.03Å; V74-I315 HydrophobicContact CG1-CD1 4.49Å; V74-L318 HydrophobicContact CG1-CB 4.32Å; V74-L319 HydrophobicContact CG1-CD2 3.94Å; V74-L319 HydrophobicContact CG1-CG 4.42Å; V74-V322 HydrophobicContact CB-CG2 4.41Å; V74-V322 HydrophobicContact CG1-CG2 4.48Å; V74-V322 HydrophobicContact CG2-CG2 3.92Å |
| 75 | F | 95.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -49.3 | 174.2 | -177.7 | -100 | 0 | 0 | 0 | 111.8 | A71 T72 A78 L79 L149 L152 A153 M156 R236 I240 | A71-F75 VanDerWaalsContact O-CB 3.27Å; A71-F75 WeakPolarHBondContact O-CB 3.27Å; A71-F75 PolarHBondContact O-N 2.94Å; T72-F75 PolarHBondContact O-N 3.37Å; F75-A78 WeakPolarHBondContact O-CB 3.3Å; F75-A78 PolarHBondContact O-N 2.79Å; F75-L79 HydrophobicContact CD1-CD1 3.95Å; F75-L79 HydrophobicContact CD1-CG 4.4Å; F75-L79 HydrophobicContact CE1-CD1 3.41Å; F75-L79 VanDerWaalsContact CE1-CD1 3.41Å; F75-L79 HydrophobicContact CE1-CG 4.07Å; F75-L79 HydrophobicContact CZ-CD1 3.9Å; F75-L79 HydrophobicContact CZ-CD2 4.26Å; F75-L79 HydrophobicContact CZ-CG 4.22Å; F75-L79 WeakPolarHBondContact O-CG 3.37Å; F75-L79 PolarHBondContact O-N 3.1Å; F75-L149 HydrophobicContact CD2-CD1 3.36Å; F75-L149 HydrophobicContact CD2-CG 4.36Å; F75-L149 HydrophobicContact CE2-CD1 3.57Å; F75-L149 HydrophobicContact CE2-CG 4.11Å; F75-L149 HydrophobicContact CG-CD1 4.3Å; F75-L152 HydrophobicContact CB-CD2 4.09Å; F75-A153 HydrophobicContact CD2-CB 4.33Å; F75-A153 HydrophobicContact CE2-CB 3.86Å; F75-M156 HydrophobicContact CB-SD 4.05Å; F75-M156 HydrophobicContact CD2-SD 4.25Å; F75-M156 HydrophobicContact CG-SD 4.13Å; F75-R236 HydrophobicContact CE1-CG 4.25Å; F75-R236 HydrophobicContact CE2-CG 4.14Å; F75-R236 HydrophobicContact CZ-CG 3.72Å; F75-I240 HydrophobicContact CE2-CD1 4.04Å; F75-I240 HydrophobicContact CE2-CG1 4.39Å; F75-I240 HydrophobicContact CZ-CD1 4.48Å |
| 76 | L | 95.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.1 | -38.3 | 178.1 | -68.9 | 171.8 | 0 | 0 | 0 | 112.9 | I5 T72 R73 V74 A78 L79 N80 | I5-L76 HydrophobicContact CG2-CD1 3.28Å; T72-L76 HydrophobicContact CG2-CD1 4.13Å; T72-L76 WeakPolarHBondContact O-CG 3.47Å; T72-L76 PolarHBondContact O-N 3.42Å; R73-L76 PolarHBondContact O-N 2.78Å; V74-L76 PolarHBondContact O-N 3.08Å; L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 3.28Å; L76-L79 HydrophobicContact CD2-CD1 4.38Å; L76-L79 PolarHBondContact O-N 2.93Å; L76-N80 PolarHBondContact O-N 3.02Å; L76-N80 PolarHBondContact O-ND2 3.08Å |
| 77 | Q | 95.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 173.4 | -74.8 | 180 | -53.3 | 0 | 0 | 111.5 | R73 V74 L81 I315 | R73-Q77 WeakPolarHBondContact O-CB 3.43Å; R73-Q77 VanDerWaalsContact O-CG 3.26Å; R73-Q77 WeakPolarHBondContact O-CG 3.45Å; R73-Q77 PolarHBondContact O-N 3.2Å; V74-Q77 PolarHBondContact O-N 3.48Å; Q77-L81 PolarHBondContact O-N 3.33Å; Q77-L81 VanDerWaalsContact O-N 3.09Å; Q77-I315 HydrophobicContact CB-CD1 4.27Å |
| 78 | A | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V74 F75 L76 N80 L81 G82 Y145 L149 I315 L319 | V74-A78 WeakPolarHBondContact O-CB 3.48Å; V74-A78 PolarHBondContact O-N 3.16Å; F75-A78 WeakPolarHBondContact O-CB 3.3Å; F75-A78 PolarHBondContact O-N 2.79Å; L76-A78 VanDerWaalsContact C-N 3.29Å; L76-A78 PolarHBondContact O-N 3.28Å; A78-N80 PolarHBondContact O-N 2.54Å; A78-L81 WeakPolarHBondContact O-CB 3.16Å; A78-L81 PolarHBondContact O-N 2.78Å; A78-L81 VanDerWaalsContact O-N 3.11Å; A78-G82 PolarHBondContact O-N 2.79Å; A78-Y145 HydrophobicContact CB-CE2 3.84Å; A78-Y145 WeakPolarHBondContact O-CE2 3.5Å; A78-Y145 PolarHBondContact O-OH 3.06Å; A78-L149 HydrophobicContact CB-CD1 3.69Å; A78-I315 HydrophobicContact CB-CD1 4.13Å; A78-I315 HydrophobicContact CB-CG1 3.8Å; A78-L319 HydrophobicContact CB-CD1 4.46Å; A78-L319 HydrophobicContact CB-CD2 4.26Å |
| 79 | L | 96.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 19% | 0.194 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.5 | -46.4 | 176.8 | -69.2 | -177.7 | 0 | 0 | 0 | 113 | F75 L76 L81 G82 I83 L149 F239 | F75-L79 HydrophobicContact CD1-CD1 3.95Å; F75-L79 HydrophobicContact CD1-CG 4.4Å; F75-L79 HydrophobicContact CE1-CD1 3.41Å; F75-L79 VanDerWaalsContact CE1-CD1 3.41Å; F75-L79 HydrophobicContact CE1-CG 4.07Å; F75-L79 HydrophobicContact CZ-CD1 3.9Å; F75-L79 HydrophobicContact CZ-CD2 4.26Å; F75-L79 HydrophobicContact CZ-CG 4.22Å; F75-L79 WeakPolarHBondContact O-CG 3.37Å; F75-L79 PolarHBondContact O-N 3.1Å; L76-L79 HydrophobicContact CD2-CD1 4.38Å; L76-L79 PolarHBondContact O-N 2.93Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 3.07Å; L79-G82 PolarHBondContact O-N 2.72Å; L79-G82 VanDerWaalsContact O-N 3.1Å; L79-I83 PolarHBondContact O-N 2.66Å; L79-I83 VanDerWaalsContact O-N 3.13Å; L79-L149 HydrophobicContact CD2-CD2 3.9Å; L79-F239 HydrophobicContact CD2-CD1 4.2Å; L79-F239 HydrophobicContact CD2-CE1 3.32Å; L79-F239 HydrophobicContact CD2-CZ 3.81Å |
| 80 | N | 96.2 | Very high | 94.4 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.4 | -39.5 | 177.4 | -74.3 | -27.9 | 0 | 0 | 0 | 112 | L76 A78 G82 I83 E84 | L76-N80 PolarHBondContact O-N 3.02Å; L76-N80 PolarHBondContact O-ND2 3.08Å; A78-N80 PolarHBondContact O-N 2.54Å; N80-G82 VanDerWaalsContact C-N 3.34Å; N80-I83 PolarHBondContact O-N 2.83Å; N80-E84 PolarHBondContact O-N 3.47Å |
| 81 | L | 97.5 | Very high | 94.1 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 174.2 | -177.4 | 65.2 | 0 | 0 | 0 | 111.6 | Q77 A78 L79 I83 E84 V85 K311 L312 I315 | Q77-L81 PolarHBondContact O-N 3.33Å; Q77-L81 VanDerWaalsContact O-N 3.09Å; A78-L81 WeakPolarHBondContact O-CB 3.16Å; A78-L81 PolarHBondContact O-N 2.78Å; A78-L81 VanDerWaalsContact O-N 3.11Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L79-L81 PolarHBondContact O-N 3.07Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.45Å; L81-E84 HydrophobicContact CD1-CB 4.41Å; L81-E84 WeakPolarHBondContact O-CB 3.12Å; L81-E84 PolarHBondContact O-N 3.48Å; L81-E84 VanDerWaalsContact O-N 3.13Å; L81-V85 HydrophobicContact CD1-CG2 4.2Å; L81-V85 HydrophobicContact CG-CG2 4.03Å; L81-V85 WeakPolarHBondContact O-CG2 3.18Å; L81-V85 PolarHBondContact O-N 3.33Å; L81-K311 HydrophobicContact CD1-CB 3.64Å; L81-K311 HydrophobicContact CD1-CD 3.89Å; L81-K311 HydrophobicContact CD1-CG 4.34Å; L81-K311 HydrophobicContact CD2-CB 4.1Å; L81-K311 WeakPolarHBondContact CD2-O 2.97Å; L81-L312 HydrophobicContact CD2-CD2 4.19Å; L81-I315 HydrophobicContact CD2-CB 3.82Å; L81-I315 HydrophobicContact CD2-CG2 3.45Å; L81-I315 VanDerWaalsContact CD2-CG2 3.45Å |
| 82 | G | 96.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A78 L79 N80 V85 V86 | A78-G82 PolarHBondContact O-N 2.79Å; L79-G82 PolarHBondContact O-N 2.72Å; L79-G82 VanDerWaalsContact O-N 3.1Å; N80-G82 VanDerWaalsContact C-N 3.34Å; G82-V85 PolarHBondContact O-N 3.05Å; G82-V86 WeakPolarHBondContact O-CG2 3.34Å; G82-V86 PolarHBondContact O-N 3.26Å; G82-V86 VanDerWaalsContact O-N 3.13Å |
| 83 | I | 96.2 | Very high | 92.9 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 58% | 0.579 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 174.4 | -61.7 | 166.7 | 0 | 0 | 0 | 110.5 | L79 N80 L81 V85 V86 N87 | L79-I83 PolarHBondContact O-N 2.66Å; L79-I83 VanDerWaalsContact O-N 3.13Å; N80-I83 PolarHBondContact O-N 2.83Å; L81-I83 VanDerWaalsContact C-N 3.28Å; L81-I83 PolarHBondContact O-N 3.45Å; I83-V85 VanDerWaalsContact C-N 3.35Å; I83-V85 PolarHBondContact O-N 3.37Å; I83-V86 PolarHBondContact O-N 3.15Å; I83-N87 VanDerWaalsContact O-CB 3.28Å; I83-N87 WeakPolarHBondContact O-CB 3.47Å; I83-N87 PolarHBondContact O-N 3.06Å |
| 84 | E | 95.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 62.9 Ų | 62.9 | 27% | 0.271 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 179 | -166.1 | -165.7 | 145.7 | 0 | 0 | 111.8 | N80 L81 N87 T88 K311 | N80-E84 PolarHBondContact O-N 3.47Å; L81-E84 HydrophobicContact CD1-CB 4.41Å; L81-E84 WeakPolarHBondContact O-CB 3.12Å; L81-E84 PolarHBondContact O-N 3.48Å; L81-E84 VanDerWaalsContact O-N 3.13Å; E84-N87 PolarHBondContact O-N 3.2Å; E84-T88 VanDerWaalsContact O-CB 3.28Å; E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.37Å; E84-T88 PolarHBondContact O-OG1 3.4Å; E84-K311 IonicContact OE1-NZ 2.73Å; E84-K311 PolarHBondContact OE1-NZ 2.92Å; E84-K311 IonicContact OE2-NZ 2.69Å; E84-K311 PolarHBondContact OE2-NZ 2.04Å |
| 85 | V | 95.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.5 | -53 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 110 | L81 G82 I83 T88 T89 V138 W142 Y250 I308 L312 | L81-V85 HydrophobicContact CD1-CG2 4.2Å; L81-V85 HydrophobicContact CG-CG2 4.03Å; L81-V85 WeakPolarHBondContact O-CG2 3.18Å; L81-V85 PolarHBondContact O-N 3.33Å; G82-V85 PolarHBondContact O-N 3.05Å; I83-V85 VanDerWaalsContact C-N 3.35Å; I83-V85 PolarHBondContact O-N 3.37Å; V85-T88 PolarHBondContact O-N 3.13Å; V85-T89 WeakPolarHBondContact O-CB 3.28Å; V85-T89 WeakPolarHBondContact O-CG2 3.32Å; V85-T89 PolarHBondContact O-N 3.13Å; V85-T89 PolarHBondContact O-OG1 2.95Å; V85-V138 HydrophobicContact CG1-CG1 4.11Å; V85-W142 HydrophobicContact CB-CZ3 4.27Å; V85-W142 HydrophobicContact CG1-CE3 3.97Å; V85-W142 HydrophobicContact CG1-CZ3 4.08Å; V85-Y250 HydrophobicContact CG1-CE2 4.41Å; V85-I308 HydrophobicContact CB-CG2 4.07Å; V85-I308 HydrophobicContact CG1-CG2 3.91Å; V85-I308 HydrophobicContact CG2-CG2 3.57Å; V85-L312 HydrophobicContact CG1-CD1 4.38Å; V85-L312 HydrophobicContact CG2-CD1 4.17Å; V85-L312 HydrophobicContact CG2-CD2 3.87Å; V85-L312 HydrophobicContact CG2-CG 3.97Å |
| 86 | V | 93.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 73.1 Ų | 73.1 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | -178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | G82 I83 T88 T89 D90 W142 | G82-V86 WeakPolarHBondContact O-CG2 3.34Å; G82-V86 PolarHBondContact O-N 3.26Å; G82-V86 VanDerWaalsContact O-N 3.13Å; I83-V86 PolarHBondContact O-N 3.15Å; V86-T88 VanDerWaalsContact C-N 3.3Å; V86-T88 PolarHBondContact O-N 3.38Å; V86-T89 WeakPolarHBondContact CA-OG1 3.48Å; V86-T89 PolarHBondContact O-N 2.89Å; V86-T89 PolarHBondContact O-OG1 3.19Å; V86-T89 VanDerWaalsContact O-OG1 3.06Å; V86-D90 VanDerWaalsContact O-CB 3.32Å; V86-D90 WeakPolarHBondContact O-CB 3.36Å; V86-D90 PolarHBondContact O-N 2.8Å; V86-W142 HydrophobicContact CG2-CH2 4.05Å |
| 87 | N | 93.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 73.9 Ų | 73.9 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 179.9 | -171.3 | 29.1 | 0 | 0 | 0 | 111.3 | I83 E84 H91 | I83-N87 VanDerWaalsContact O-CB 3.28Å; I83-N87 WeakPolarHBondContact O-CB 3.47Å; I83-N87 PolarHBondContact O-N 3.06Å; E84-N87 PolarHBondContact O-N 3.2Å; N87-H91 PolarHBondContact O-N 3.13Å; N87-H91 PolarHBondContact O-ND1 3.04Å; N87-H91 PolarHBondContact OD1-CE1 3.09Å; N87-H91 PolarHBondContact OD1-ND1 3.4Å |
| 88 | T | 90.6 | Very high | 90.8 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.3 | -38 | -179.2 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | E84 V85 V86 H91 V304 I308 | E84-T88 VanDerWaalsContact O-CB 3.28Å; E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.37Å; E84-T88 PolarHBondContact O-OG1 3.4Å; V85-T88 PolarHBondContact O-N 3.13Å; V86-T88 VanDerWaalsContact C-N 3.3Å; V86-T88 PolarHBondContact O-N 3.38Å; T88-H91 PolarHBondContact O-N 3Å; T88-V304 HydrophobicContact CG2-CG1 3.27Å; T88-I308 HydrophobicContact CG2-CD1 3.49Å; T88-I308 VanDerWaalsContact CG2-CD1 3.49Å; T88-I308 HydrophobicContact CG2-CG1 4.3Å |
| 89 | T | 89.2 | Confident | 90.5 | Very high | 19 Ų | 19 | 72 Ų | 72 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.6 | -32.5 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | V85 V86 H91 L92 Y250 I308 | V85-T89 WeakPolarHBondContact O-CB 3.28Å; V85-T89 WeakPolarHBondContact O-CG2 3.32Å; V85-T89 PolarHBondContact O-N 3.13Å; V85-T89 PolarHBondContact O-OG1 2.95Å; V86-T89 WeakPolarHBondContact CA-OG1 3.48Å; V86-T89 PolarHBondContact O-N 2.89Å; V86-T89 PolarHBondContact O-OG1 3.19Å; V86-T89 VanDerWaalsContact O-OG1 3.06Å; T89-H91 PolarHBondContact O-N 3.43Å; T89-L92 HydrophobicContact CG2-CD1 4.27Å; T89-L92 WeakPolarHBondContact O-CB 3.46Å; T89-L92 WeakPolarHBondContact O-CG 3.32Å; T89-L92 PolarHBondContact O-N 2.91Å; T89-Y250 HydrophobicContact CG2-CE1 3.82Å; T89-Y250 WeakPolarHBondContact OG1-CE1 3.3Å; T89-Y250 PolarHBondContact OG1-OH 3.49Å; T89-I308 HydrophobicContact CG2-CD1 4.48Å |
| 90 | D | 88.1 | Confident | 90.2 | Very high | 127 Ų | 127 | 76 Ų | 76 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.4 | -30.2 | 174.1 | -173.3 | 56.1 | 0 | 0 | 0 | 112.9 | V86 | V86-D90 VanDerWaalsContact O-CB 3.32Å; V86-D90 WeakPolarHBondContact O-CB 3.36Å; V86-D90 PolarHBondContact O-N 2.8Å |
| 91 | H | 85.8 | Confident | 90 | Very high | 130 Ų | 130 | 72.3 Ų | 72.3 | 60% | 0.602 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 5.1 | -179.5 | -68.9 | 77.3 | 0 | 0 | 0 | 113.9 | N87 T88 T89 R93 | N87-H91 PolarHBondContact O-N 3.13Å; N87-H91 PolarHBondContact O-ND1 3.04Å; N87-H91 PolarHBondContact OD1-CE1 3.09Å; N87-H91 PolarHBondContact OD1-ND1 3.4Å; T88-H91 PolarHBondContact O-N 3Å; T89-H91 PolarHBondContact O-N 3.43Å; H91-R93 PolarHBondContact O-N 3.14Å |
| 92 | L | 82.9 | Confident | 89.7 | Confident | 43 Ų | 43 | 73.9 Ų | 73.9 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67 | 129.4 | 176.9 | -67.9 | 175 | 0 | 0 | 0 | 110.3 | T89 A135 I305 | T89-L92 HydrophobicContact CG2-CD1 4.27Å; T89-L92 WeakPolarHBondContact O-CB 3.46Å; T89-L92 WeakPolarHBondContact O-CG 3.32Å; T89-L92 PolarHBondContact O-N 2.91Å; L92-A135 HydrophobicContact CD1-CB 4.18Å; L92-I305 HydrophobicContact CD1-CD1 3.88Å; L92-I305 HydrophobicContact CD1-CG1 4.18Å; L92-I305 HydrophobicContact CD2-CD1 4.11Å; L92-I305 HydrophobicContact CD2-CG1 4Å |
| 93 | R | 81.6 | Confident | 89.4 | Confident | 218 Ų | 218 | 75.6 Ų | 75.6 | 82% | 0.823 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 133.2 | 180 | -70.7 | -169.4 | 178.1 | 179.5 | 0.2 | 110.4 | H91 S95 | H91-R93 PolarHBondContact O-N 3.14Å; R93-S95 PolarHBondContact O-N 3.33Å |
| 94 | P | 81.7 | Confident | 89.2 | Confident | 92 Ų | 92 | 75.2 Ų | 75.2 | 60% | 0.597 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 136.8 | 170.4 | -25.6 | 34.6 | 0 | 0 | 0 | 111.6 | C98 | P94-C98 HydrophobicContact CB-CB 4.17Š|
| 95 | S | 84.4 | Confident | 88.9 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 38% | 0.378 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 164 | 176.3 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | R93 D97 C98 G99 | R93-S95 PolarHBondContact O-N 3.33Å; S95-D97 PolarHBondContact O-N 2.83Å; S95-D97 PolarHBondContact OG-N 3.18Å; S95-C98 WeakPolarHBondContact O-CB 3.39Å; S95-C98 PolarHBondContact O-N 3.1Å; S95-C98 VanDerWaalsContact O-N 3.15Å; S95-C98 PolarHBondContact OG-N 2.64Å; S95-C98 VanDerWaalsContact OG-N 3.07Å; S95-G99 PolarHBondContact O-N 3.14Å |
| 96 | R | 86.9 | Confident | 88.5 | Confident | 186 Ų | 186 | 75.9 Ų | 75.9 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -33.9 | 172.3 | -67.2 | -175.9 | 71.4 | -175.4 | 2.8 | 112.2 | G99 R100 | R96-G99 PolarHBondContact O-N 2.68Å; R96-R100 PolarHBondContact O-N 3.18Å; R96-R100 VanDerWaalsContact O-N 3.1Å |
| 97 | D | 88 | Confident | 88.3 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 175 | -68.3 | -39.6 | 0 | 0 | 0 | 111.3 | S95 G99 R100 A101 | S95-D97 PolarHBondContact O-N 2.83Å; S95-D97 PolarHBondContact OG-N 3.18Å; D97-G99 PolarHBondContact O-N 2.69Å; D97-R100 PolarHBondContact O-N 3.2Å; D97-R100 IonicContact OD1-CZ 3.57Å; D97-R100 IonicContact OD1-NE 3.78Å; D97-R100 IonicContact OD1-NH2 2.61Å; D97-R100 PolarHBondContact OD1-NH2 2.97Å; D97-A101 PolarHBondContact O-N 3.34Å |
| 98 | C | 90.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | P94 S95 R100 A101 L102 C131 | P94-C98 HydrophobicContact CB-CB 4.17Å; S95-C98 WeakPolarHBondContact O-CB 3.39Å; S95-C98 PolarHBondContact O-N 3.1Å; S95-C98 VanDerWaalsContact O-N 3.15Å; S95-C98 PolarHBondContact OG-N 2.64Å; S95-C98 VanDerWaalsContact OG-N 3.07Å; C98-R100 VanDerWaalsContact C-N 3.27Å; C98-R100 PolarHBondContact O-N 3.4Å; C98-A101 PolarHBondContact O-N 2.98Å; C98-A101 VanDerWaalsContact O-N 3.08Å; C98-L102 WeakPolarHBondContact O-CG 3.48Å; C98-L102 PolarHBondContact O-N 2.78Å; C98-C131 WeakPolarHBondContact CA-SG 3.2Å; C98-C131 HydrophobicContact CB-CB 3.88Å; C98-C131 WeakPolarHBondContact CB-SG 3.4Å; C98-C131 VanDerWaalsContact SG-CA 3.5Å; C98-C131 WeakPolarHBondContact SG-CB 3.45Å; C98-C131 CovalentContact SG-SG 2.03Å; C98-C131 PolarHBondContact SG-SG 3.3Å |
| 99 | G | 90.6 | Very high | 88.1 | Confident | 23 Ų | 23 | 73.7 Ų | 73.7 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.3 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S95 R96 D97 L103 | S95-G99 PolarHBondContact O-N 3.14Å; R96-G99 PolarHBondContact O-N 2.68Å; D97-G99 PolarHBondContact O-N 2.69Å; G99-L103 VanDerWaalsContact O-CG 3.27Å; G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 2.97Å |
| 100 | R | 91.5 | Very high | 88.1 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.6 | -73.9 | -172.4 | -76.5 | -119.8 | 5.9 | 113.1 | R96 D97 C98 L103 R104 | R96-R100 PolarHBondContact O-N 3.18Å; R96-R100 VanDerWaalsContact O-N 3.1Å; D97-R100 PolarHBondContact O-N 3.2Å; D97-R100 IonicContact OD1-CZ 3.57Å; D97-R100 IonicContact OD1-NE 3.78Å; D97-R100 IonicContact OD1-NH2 2.61Å; D97-R100 PolarHBondContact OD1-NH2 2.97Å; C98-R100 VanDerWaalsContact C-N 3.27Å; C98-R100 PolarHBondContact O-N 3.4Å; R100-L103 PolarHBondContact O-N 3.01Å; R100-R104 PolarHBondContact O-N 3.35Å |
| 101 | A | 91.3 | Very high | 88.2 | Confident | 30 Ų | 30 | 75.4 Ų | 75.4 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D97 C98 R104 L105 A127 | D97-A101 PolarHBondContact O-N 3.34Å; C98-A101 PolarHBondContact O-N 2.98Å; C98-A101 VanDerWaalsContact O-N 3.08Å; A101-R104 PolarHBondContact O-N 2.68Å; A101-L105 WeakPolarHBondContact O-CB 3.43Å; A101-L105 PolarHBondContact O-N 3.27Å; A101-A127 HydrophobicContact CB-CB 4.3Å |
| 102 | L | 90.8 | Very high | 88.4 | Confident | 49 Ų | 49 | 73.7 Ų | 73.7 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176.4 | -67.7 | 175.7 | 0 | 0 | 0 | 112.3 | C98 R104 L105 W106 M128 | C98-L102 WeakPolarHBondContact O-CG 3.48Å; C98-L102 PolarHBondContact O-N 2.78Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-W106 PolarHBondContact O-N 2.92Å; L102-M128 HydrophobicContact CD2-CE 3.47Å; L102-M128 VanDerWaalsContact CD2-CE 3.47Å; L102-M128 HydrophobicContact CD2-SD 4.13Å |
| 103 | L | 91.4 | Very high | 88.6 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 174 | -72.9 | 170.7 | 0 | 0 | 0 | 111.7 | G99 R100 L105 Y107 C108 I389 | G99-L103 VanDerWaalsContact O-CG 3.27Å; G99-L103 WeakPolarHBondContact O-CG 3.49Å; G99-L103 PolarHBondContact O-N 2.97Å; R100-L103 PolarHBondContact O-N 3.01Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 3.41Å; L103-Y107 HydrophobicContact CD2-CD2 3.78Å; L103-Y107 HydrophobicContact CD2-CE2 4.4Å; L103-Y107 HydrophobicContact CD2-CG 4.36Å; L103-Y107 WeakPolarHBondContact O-CA 3.48Å; L103-Y107 PolarHBondContact O-N 3.37Å; L103-C108 PolarHBondContact O-N 3.02Å; L103-I389 HydrophobicContact CD1-CG1 4.43Å; L103-I389 HydrophobicContact CD2-CD1 4.13Å; L103-I389 HydrophobicContact CD2-CG1 4.43Å |
| 104 | R | 91.9 | Very high | 88.7 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 174.7 | -75.5 | 179.6 | 175 | 170.1 | -7.6 | 112.8 | R100 A101 L102 F123 W271 A392 | R100-R104 PolarHBondContact O-N 3.35Å; A101-R104 PolarHBondContact O-N 2.68Å; L102-R104 VanDerWaalsContact C-N 3.34Å; R104-F123 HydrophobicContact CB-CZ 4.45Å; R104-W271 PolarHBondContact O-NE1 2.85Å; R104-A392 PolarHBondContact NH2-O 3.08Å |
| 105 | L | 88.8 | Confident | 88.6 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.7 | -47.4 | 177.6 | -173.8 | 63.8 | 0 | 0 | 0 | 112.3 | A101 L102 L103 A119 F123 C124 A127 M128 | A101-L105 WeakPolarHBondContact O-CB 3.43Å; A101-L105 PolarHBondContact O-N 3.27Å; L102-L105 PolarHBondContact O-N 3.49Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 3.41Å; L105-A119 HydrophobicContact CD1-CB 3.63Å; L105-A119 HydrophobicContact CG-CB 4.45Å; L105-F123 HydrophobicContact CB-CE1 4.17Å; L105-F123 HydrophobicContact CD1-CD1 3.35Å; L105-F123 HydrophobicContact CD1-CE1 3.47Å; L105-F123 VanDerWaalsContact CD1-CE1 3.47Å; L105-F123 HydrophobicContact CD1-CG 4.24Å; L105-F123 HydrophobicContact CD1-CZ 4.42Å; L105-F123 HydrophobicContact CG-CE1 4.44Å; L105-C124 HydrophobicContact CD1-CB 4.23Å; L105-C124 HydrophobicContact CD2-CB 4.3Å; L105-A127 HydrophobicContact CD2-CB 4.14Å; L105-M128 HydrophobicContact CD2-CE 3.73Å |
| 106 | W | 87 | Confident | 88.2 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 27% | 0.265 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -103.3 | -37.7 | -167.1 | -62.5 | 116.9 | 0 | 0 | 0 | 114.8 | L102 H110 M128 E261 | L102-W106 PolarHBondContact O-N 2.92Å; W106-H110 PolarHBondContact O-CE1 3.11Å; W106-H110 PolarHBondContact O-ND1 3.4Å; W106-M128 HydrophobicContact CZ2-CE 4.45Å; W106-E261 HydrophobicContact CH2-CB 4.19Å; W106-E261 HydrophobicContact CH2-CG 3.66Å; W106-E261 WeakPolarHBondContact CH2-OE2 3.3Å; W106-E261 HydrophobicContact CZ3-CG 3.78Å; W106-E261 WeakPolarHBondContact CZ3-OE1 3.23Å; W106-E261 VanDerWaalsContact CZ3-OE2 3.32Å; W106-E261 WeakPolarHBondContact CZ3-OE2 3.41Å |
| 107 | Y | 89.4 | Confident | 88 | Confident | 140 Ų | 140 | 64 Ų | 64 | 55% | 0.549 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -27.1 | -166.7 | -67.9 | -81.3 | 0 | 0 | 0 | 113.9 | L103 P109 H110 C111 | L103-Y107 HydrophobicContact CD2-CD2 3.78Å; L103-Y107 HydrophobicContact CD2-CE2 4.4Å; L103-Y107 HydrophobicContact CD2-CG 4.36Å; L103-Y107 WeakPolarHBondContact O-CA 3.48Å; L103-Y107 PolarHBondContact O-N 3.37Å; Y107-P109 VanDerWaalsContact C-CD 3.42Å; Y107-P109 VanDerWaalsContact C-N 3.34Å; Y107-H110 WeakPolarHBondContact O-CB 3.36Å; Y107-H110 PolarHBondContact O-N 3.46Å; Y107-H110 VanDerWaalsContact O-N 3.15Å; Y107-C111 PolarHBondContact O-N 3.09Å; Y107-C111 PolarHBondContact O-SG 2.84Å; Y107-C111 VanDerWaalsContact O-SG 3.32Å |
| 108 | C | 91.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -33.5 | 177.3 | -74.9 | 0 | 0 | 0 | 0 | 115 | L103 H110 C111 Q112 W271 C391 | L103-C108 PolarHBondContact O-N 3.02Å; C108-H110 VanDerWaalsContact C-N 3.29Å; C108-H110 PolarHBondContact O-N 3.35Å; C108-C111 PolarHBondContact O-N 3.38Å; C108-Q112 WeakPolarHBondContact O-CG 3.34Å; C108-Q112 PolarHBondContact O-N 3.1Å; C108-Q112 VanDerWaalsContact O-N 3.11Å; C108-W271 HydrophobicContact CB-CZ2 4.01Å; C108-C391 WeakPolarHBondContact CA-SG 3.31Å; C108-C391 HydrophobicContact CB-CB 3.9Å; C108-C391 WeakPolarHBondContact CB-SG 3.49Å; C108-C391 WeakPolarHBondContact SG-CB 3.49Å; C108-C391 CovalentContact SG-SG 2.06Å; C108-C391 PolarHBondContact SG-SG 3.04Å |
| 109 | P | 88.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 173.3 | -25.2 | 32.7 | 0 | 0 | 0 | 113.6 | Y107 C111 Q112 G113 M114 P117 W271 | Y107-P109 VanDerWaalsContact C-CD 3.42Å; Y107-P109 VanDerWaalsContact C-N 3.34Å; P109-C111 VanDerWaalsContact C-N 3.32Å; P109-C111 PolarHBondContact O-N 2.97Å; P109-Q112 CarbonylContact O-C 3.59Å; P109-Q112 PolarHBondContact O-N 3.35Å; P109-Q112 VanDerWaalsContact O-N 3.11Å; P109-G113 PolarHBondContact O-N 2.95Å; P109-M114 HydrophobicContact CB-CB 4.18Å; P109-M114 HydrophobicContact CB-CE 3.77Å; P109-M114 WeakPolarHBondContact O-CB 3.48Å; P109-M114 PolarHBondContact O-N 3.35Å; P109-P117 HydrophobicContact CB-CG 3.49Å; P109-P117 VanDerWaalsContact CB-CG 3.49Å; P109-P117 HydrophobicContact CG-CG 4Å; P109-W271 HydrophobicContact CG-CD2 3.68Å; P109-W271 HydrophobicContact CG-CE3 4.33Å; P109-W271 HydrophobicContact CG-CG 3.75Å; P109-W271 HydrophobicContact CG-CZ2 4.14Å |
| 110 | H | 88.9 | Confident | 87.6 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 179.2 | -61.2 | 81 | 0 | 0 | 0 | 111.3 | W106 Y107 C108 Q112 G113 | W106-H110 PolarHBondContact O-CE1 3.11Å; W106-H110 PolarHBondContact O-ND1 3.4Å; Y107-H110 WeakPolarHBondContact O-CB 3.36Å; Y107-H110 PolarHBondContact O-N 3.46Å; Y107-H110 VanDerWaalsContact O-N 3.15Å; C108-H110 VanDerWaalsContact C-N 3.29Å; C108-H110 PolarHBondContact O-N 3.35Å; H110-Q112 PolarHBondContact O-N 3.34Å; H110-G113 PolarHBondContact O-N 2.9Å; H110-G113 VanDerWaalsContact O-N 3.1Å |
| 111 | C | 89.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.5 | -25.9 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | Y107 C108 P109 G113 | Y107-C111 PolarHBondContact O-N 3.09Å; Y107-C111 PolarHBondContact O-SG 2.84Å; Y107-C111 VanDerWaalsContact O-SG 3.32Å; C108-C111 PolarHBondContact O-N 3.38Å; P109-C111 VanDerWaalsContact C-N 3.32Å; P109-C111 PolarHBondContact O-N 2.97Å; C111-G113 VanDerWaalsContact C-N 3.31Å |
| 112 | Q | 88.7 | Confident | 87.1 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8.6 | 175.1 | -66.2 | -177.8 | -5.1 | 0 | 0 | 113 | C108 P109 H110 M114 W271 | C108-Q112 WeakPolarHBondContact O-CG 3.34Å; C108-Q112 PolarHBondContact O-N 3.1Å; C108-Q112 VanDerWaalsContact O-N 3.11Å; P109-Q112 CarbonylContact O-C 3.59Å; P109-Q112 PolarHBondContact O-N 3.35Å; P109-Q112 VanDerWaalsContact O-N 3.11Å; H110-Q112 PolarHBondContact O-N 3.34Å; Q112-M114 HydrophobicContact CB-CE 3.99Å; Q112-M114 VanDerWaalsContact OE1-CE 3.3Å; Q112-W271 VanDerWaalsContact OE1-CZ3 3.27Å |
| 113 | G | 87.7 | Confident | 87 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 12.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P109 H110 C111 | P109-G113 PolarHBondContact O-N 2.95Å; H110-G113 PolarHBondContact O-N 2.9Å; H110-G113 VanDerWaalsContact O-N 3.1Å; C111-G113 VanDerWaalsContact C-N 3.31Å |
| 114 | M | 84.6 | Confident | 86.9 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 23% | 0.232 | 31% | 0.312 | C | S | . | . | trans | -87.7 | 135.2 | 174.4 | -64.4 | 180 | -79.3 | 0 | 0 | 111.2 | P109 Q112 S116 P117 W271 | P109-M114 HydrophobicContact CB-CB 4.18Å; P109-M114 HydrophobicContact CB-CE 3.77Å; P109-M114 WeakPolarHBondContact O-CB 3.48Å; P109-M114 PolarHBondContact O-N 3.35Å; Q112-M114 HydrophobicContact CB-CE 3.99Å; Q112-M114 VanDerWaalsContact OE1-CE 3.3Å; M114-S116 PolarHBondContact O-N 3.09Å; M114-P117 HydrophobicContact CB-CG 4.06Å; M114-P117 HydrophobicContact SD-CG 4.22Å; M114-W271 HydrophobicContact CE-CD2 4.46Å; M114-W271 HydrophobicContact CE-CE3 3.51Å; M114-W271 HydrophobicContact CE-CH2 4.01Å; M114-W271 HydrophobicContact CE-CZ3 3.24Å; M114-W271 HydrophobicContact SD-CE3 4.39Å; M114-W271 HydrophobicContact SD-CZ3 4.48Å | ||
| 115 | L | 80 | Confident | 86.7 | Confident | 171 Ų | 171 | 58.2 Ų | 58.2 | 90% | 0.895 | 31% | 0.309 | S | S | * | . | trans | -87.8 | 95.4 | 176.9 | -65.2 | 169.9 | 0 | 0 | 0 | 109.8 | ||||
| 116 | S | 75.4 | Confident | 86.6 | Confident | 82 Ų | 82 | 62 Ų | 62 | 57% | 0.573 | 33% | 0.332 | S | S | * | . | trans | 47 | 54.8 | 169.9 | -164.6 | 0 | 0 | 0 | 0 | 116 | M114 | M114-S116 PolarHBondContact O-N 3.09Š| ||
| 117 | P | 82.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 59 Ų | 59 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 144.9 | 176 | 28.4 | -32.8 | 0 | 0 | 0 | 111.3 | P109 M114 A119 W271 M276 | P109-P117 HydrophobicContact CB-CG 3.49Å; P109-P117 VanDerWaalsContact CB-CG 3.49Å; P109-P117 HydrophobicContact CG-CG 4Å; M114-P117 HydrophobicContact CB-CG 4.06Å; M114-P117 HydrophobicContact SD-CG 4.22Å; P117-A119 PolarHBondContact O-N 2.87Å; P117-W271 HydrophobicContact CB-CB 4.47Å; P117-W271 HydrophobicContact CG-CB 4.25Å; P117-M276 HydrophobicContact CB-CE 3.37Å; P117-M276 HydrophobicContact CB-SD 3.58Å; P117-M276 VanDerWaalsContact CB-SD 3.58Å; P117-M276 HydrophobicContact CG-SD 4.37Å |
| 118 | P | 85.6 | Confident | 86.7 | Confident | 35 Ų | 35 | 53 Ų | 53 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 134.3 | 175.6 | 28.4 | -35.5 | 0 | 0 | 0 | 110.5 | P262 A264 C270 W271 M276 | P118-P262 WeakPolarHBondContact CB-O 3.27Å; P118-A264 HydrophobicContact CB-CB 3.79Å; P118-A264 HydrophobicContact CG-CB 3.52Å; P118-C270 CarbonylContact O-C 3.51Å; P118-C270 VanDerWaalsContact O-CA 3.28Å; P118-C270 WeakPolarHBondContact O-CA 3.5Å; P118-C270 WeakPolarHBondContact O-CB 3.01Å; P118-W271 PolarHBondContact O-N 2.86Å; P118-M276 HydrophobicContact CG-CE 4.46Å |
| 119 | A | 87.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 140.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L105 P117 R121 | L105-A119 HydrophobicContact CD1-CB 3.63Å; L105-A119 HydrophobicContact CG-CB 4.45Å; P117-A119 PolarHBondContact O-N 2.87Å; A119-R121 PolarHBondContact O-N 2.78Å |
| 120 | C | 88.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 132.5 | 171.8 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | G122 F123 C124 C270 W271 A282 | C120-G122 VanDerWaalsContact C-N 3.32Å; C120-G122 PolarHBondContact O-N 2.84Å; C120-F123 HydrophobicContact CB-CB 4.09Å; C120-F123 PolarHBondContact O-N 3.44Å; C120-C124 PolarHBondContact O-N 3.44Å; C120-C270 WeakPolarHBondContact CA-SG 3.48Å; C120-C270 HydrophobicContact CB-CB 3.98Å; C120-C270 WeakPolarHBondContact CB-SG 3.24Å; C120-C270 WeakPolarHBondContact SG-CB 3.37Å; C120-C270 PolarHBondContact SG-O 3.31Å; C120-C270 CovalentContact SG-SG 2.04Å; C120-C270 PolarHBondContact SG-SG 3.47Å; C120-W271 WeakPolarHBondContact CB-O 3.39Å; C120-W271 PolarHBondContact N-O 3.19Å; C120-W271 PolarHBondContact SG-O 3Å; C120-A282 HydrophobicContact CB-CB 3.69Å; C120-A282 WeakPolarHBondContact SG-CB 3.41Å |
| 121 | R | 86.1 | Confident | 86.1 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -54.8 | -45.4 | -177.7 | -173 | 179 | -178 | -168 | 1.9 | 112.6 | A119 F123 C124 Q125 E255 | A119-R121 PolarHBondContact O-N 2.78Å; R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.29Å; R121-C124 PolarHBondContact O-N 3.31Å; R121-Q125 HydrophobicContact CG-CG 4.49Å; R121-Q125 WeakPolarHBondContact O-CB 3.5Å; R121-Q125 VanDerWaalsContact O-CG 3.3Å; R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.29Å; R121-E255 IonicContact CZ-OE1 3.69Å; R121-E255 VanDerWaalsContact CZ-OE1 3.3Å; R121-E255 IonicContact NE-OE1 2.97Å; R121-E255 PolarHBondContact NE-OE1 2.75Å; R121-E255 VanDerWaalsContact NE-OE1 3.16Å; R121-E255 IonicContact NE-OE2 3.58Å; R121-E255 IonicContact NH2-OE1 3.61Å; R121-E255 PolarHBondContact NH2-OE1 3.13Å; R121-E255 IonicContact NH2-OE2 3.6Å |
| 122 | G | 85.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C120 T126 | C120-G122 VanDerWaalsContact C-N 3.32Å; C120-G122 PolarHBondContact O-N 2.84Å; G122-T126 WeakPolarHBondContact O-CB 3.47Å; G122-T126 PolarHBondContact O-N 3.14Å; G122-T126 VanDerWaalsContact O-N 3.08Å; G122-T126 PolarHBondContact O-OG1 3.05Å |
| 123 | F | 87.8 | Confident | 85.3 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.8 | -45.4 | 175.4 | 179.3 | -129.9 | 0 | 0 | 0 | 111.4 | R104 L105 C120 R121 Q125 T126 A127 W271 N272 G273 | R104-F123 HydrophobicContact CB-CZ 4.45Å; L105-F123 HydrophobicContact CB-CE1 4.17Å; L105-F123 HydrophobicContact CD1-CD1 3.35Å; L105-F123 HydrophobicContact CD1-CE1 3.47Å; L105-F123 VanDerWaalsContact CD1-CE1 3.47Å; L105-F123 HydrophobicContact CD1-CG 4.24Å; L105-F123 HydrophobicContact CD1-CZ 4.42Å; L105-F123 HydrophobicContact CG-CE1 4.44Å; C120-F123 HydrophobicContact CB-CB 4.09Å; C120-F123 PolarHBondContact O-N 3.44Å; R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.29Å; F123-Q125 PolarHBondContact O-N 3.4Å; F123-T126 PolarHBondContact O-N 3.27Å; F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.46Å; F123-W271 AromaticContact CE1-NE1 3.97Å; F123-N272 VanDerWaalsContact CD1-C 3.45Å; F123-N272 WeakPolarHBondContact CD2-O 3.48Å; F123-N272 WeakPolarHBondContact CG-O 2.96Å; F123-G273 VanDerWaalsContact CZ-CA 3.44Å |
| 124 | C | 89.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L105 C120 R121 T126 A127 M128 C258 | L105-C124 HydrophobicContact CD1-CB 4.23Å; L105-C124 HydrophobicContact CD2-CB 4.3Å; C120-C124 PolarHBondContact O-N 3.44Å; R121-C124 PolarHBondContact O-N 3.31Å; C124-T126 VanDerWaalsContact C-N 3.31Å; C124-T126 PolarHBondContact O-N 3.04Å; C124-A127 PolarHBondContact O-N 2.89Å; C124-M128 WeakPolarHBondContact O-CB 3.36Å; C124-M128 VanDerWaalsContact O-CG 3.27Å; C124-M128 WeakPolarHBondContact O-CG 3.11Å; C124-M128 PolarHBondContact O-N 3.45Å; C124-C258 HydrophobicContact CB-CB 3.99Å; C124-C258 WeakPolarHBondContact CB-SG 3.47Å; C124-C258 VanDerWaalsContact SG-CA 3.5Å; C124-C258 WeakPolarHBondContact SG-CB 3.44Å; C124-C258 CovalentContact SG-SG 2.04Å; C124-C258 PolarHBondContact SG-SG 2.83Å |
| 125 | Q | 87.8 | Confident | 84.5 | Confident | 72 Ų | 72 | 49 Ų | 49 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 178.3 | -76.4 | 174.7 | -10 | 0 | 0 | 112 | R121 F123 M128 Q129 E255 | R121-Q125 HydrophobicContact CG-CG 4.49Å; R121-Q125 WeakPolarHBondContact O-CB 3.5Å; R121-Q125 VanDerWaalsContact O-CG 3.3Å; R121-Q125 WeakPolarHBondContact O-CG 3.33Å; R121-Q125 PolarHBondContact O-N 3.29Å; F123-Q125 PolarHBondContact O-N 3.4Å; Q125-M128 PolarHBondContact O-N 3.09Å; Q125-Q129 VanDerWaalsContact O-CB 3.3Å; Q125-Q129 WeakPolarHBondContact O-CB 3.45Å; Q125-Q129 PolarHBondContact O-N 3.16Å; Q125-E255 PolarHBondContact NE2-OE2 2.81Å |
| 126 | T | 87.8 | Confident | 84.7 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -45 | 178.7 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | G122 F123 C124 Q129 G130 | G122-T126 WeakPolarHBondContact O-CB 3.47Å; G122-T126 PolarHBondContact O-N 3.14Å; G122-T126 VanDerWaalsContact O-N 3.08Å; G122-T126 PolarHBondContact O-OG1 3.05Å; F123-T126 PolarHBondContact O-N 3.27Å; C124-T126 VanDerWaalsContact C-N 3.31Å; C124-T126 PolarHBondContact O-N 3.04Å; T126-Q129 PolarHBondContact O-N 3.26Å; T126-G130 PolarHBondContact O-N 3.15Å |
| 127 | A | 89.8 | Confident | 85.2 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A101 L105 F123 C124 G130 C131 | A101-A127 HydrophobicContact CB-CB 4.3Å; L105-A127 HydrophobicContact CD2-CB 4.14Å; F123-A127 WeakPolarHBondContact O-CB 3.38Å; F123-A127 PolarHBondContact O-N 3.46Å; C124-A127 PolarHBondContact O-N 2.89Å; A127-G130 PolarHBondContact O-N 3.03Å; A127-C131 WeakPolarHBondContact O-CB 3.25Å; A127-C131 PolarHBondContact O-N 2.99Å; A127-C131 PolarHBondContact O-SG 2.97Å |
| 128 | M | 88.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.069 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.5 | -66 | -57.1 | 153 | 0 | 0 | 112 | L102 L105 W106 C124 Q125 C131 L132 L257 | L102-M128 HydrophobicContact CD2-CE 3.47Å; L102-M128 VanDerWaalsContact CD2-CE 3.47Å; L102-M128 HydrophobicContact CD2-SD 4.13Å; L105-M128 HydrophobicContact CD2-CE 3.73Å; W106-M128 HydrophobicContact CZ2-CE 4.45Å; C124-M128 WeakPolarHBondContact O-CB 3.36Å; C124-M128 VanDerWaalsContact O-CG 3.27Å; C124-M128 WeakPolarHBondContact O-CG 3.11Å; C124-M128 PolarHBondContact O-N 3.45Å; Q125-M128 PolarHBondContact O-N 3.09Å; M128-C131 WeakPolarHBondContact O-CB 3.42Å; M128-C131 PolarHBondContact O-N 3.22Å; M128-C131 VanDerWaalsContact O-N 3.16Å; M128-L132 WeakPolarHBondContact O-CB 3.33Å; M128-L132 VanDerWaalsContact O-CG 3.24Å; M128-L132 WeakPolarHBondContact O-CG 3.21Å; M128-L132 PolarHBondContact O-N 3.43Å; M128-L257 HydrophobicContact CG-CB 4.25Å; M128-L257 HydrophobicContact SD-CB 4.03Å; M128-L257 HydrophobicContact SD-CD1 3.83Å |
| 129 | Q | 84.8 | Confident | 86.1 | Confident | 135 Ų | 135 | 40.5 Ų | 40.5 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.6 | -43.9 | 176.4 | -174 | 177.5 | 5.1 | 0 | 0 | 111.7 | Q125 T126 C131 L132 G133 | Q125-Q129 VanDerWaalsContact O-CB 3.3Å; Q125-Q129 WeakPolarHBondContact O-CB 3.45Å; Q125-Q129 PolarHBondContact O-N 3.16Å; T126-Q129 PolarHBondContact O-N 3.26Å; Q129-C131 VanDerWaalsContact C-N 3.26Å; Q129-C131 PolarHBondContact O-N 3.07Å; Q129-L132 PolarHBondContact O-N 2.95Å; Q129-G133 PolarHBondContact O-N 2.98Å |
| 130 | G | 83.8 | Confident | 86.5 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -32.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | T126 A127 | T126-G130 PolarHBondContact O-N 3.15Å; A127-G130 PolarHBondContact O-N 3.03Å |
| 131 | C | 87.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.6 | -41.7 | 176.3 | -79 | 0 | 0 | 0 | 0 | 114.2 | C98 A127 M128 Q129 G133 | C98-C131 WeakPolarHBondContact CA-SG 3.2Å; C98-C131 HydrophobicContact CB-CB 3.88Å; C98-C131 WeakPolarHBondContact CB-SG 3.4Å; C98-C131 VanDerWaalsContact SG-CA 3.5Å; C98-C131 WeakPolarHBondContact SG-CB 3.45Å; C98-C131 CovalentContact SG-SG 2.03Å; C98-C131 PolarHBondContact SG-SG 3.3Å; A127-C131 WeakPolarHBondContact O-CB 3.25Å; A127-C131 PolarHBondContact O-N 2.99Å; A127-C131 PolarHBondContact O-SG 2.97Å; M128-C131 WeakPolarHBondContact O-CB 3.42Å; M128-C131 PolarHBondContact O-N 3.22Å; M128-C131 VanDerWaalsContact O-N 3.16Å; Q129-C131 VanDerWaalsContact C-N 3.26Å; Q129-C131 PolarHBondContact O-N 3.07Å; C131-G133 PolarHBondContact O-N 3.26Å |
| 132 | L | 83.3 | Confident | 87.4 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -25.3 | 176.9 | -68.6 | 168.8 | 0 | 0 | 0 | 111.4 | M128 Q129 G134 A135 L253 | M128-L132 WeakPolarHBondContact O-CB 3.33Å; M128-L132 VanDerWaalsContact O-CG 3.24Å; M128-L132 WeakPolarHBondContact O-CG 3.21Å; M128-L132 PolarHBondContact O-N 3.43Å; Q129-L132 PolarHBondContact O-N 2.95Å; L132-G134 PolarHBondContact O-N 3.03Å; L132-A135 WeakPolarHBondContact O-CB 3.24Å; L132-A135 PolarHBondContact O-N 3.13Å; L132-L253 HydrophobicContact CD1-CB 3.77Å; L132-L253 HydrophobicContact CD2-CB 3.9Å; L132-L253 HydrophobicContact CD2-CD1 3.85Å |
| 133 | G | 77.7 | Confident | 88 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 37% | 0.371 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -126.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | Q129 C131 A135 A136 | Q129-G133 PolarHBondContact O-N 2.98Å; C131-G133 PolarHBondContact O-N 3.26Å; G133-A135 PolarHBondContact O-N 3Å; G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 2.97Å; G133-A136 VanDerWaalsContact O-N 3.15Å |
| 134 | G | 76.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L132 A136 E137 V138 I305 | L132-G134 PolarHBondContact O-N 3.03Å; G134-A136 PolarHBondContact O-N 2.98Å; G134-E137 WeakPolarHBondContact O-CB 3.47Å; G134-E137 PolarHBondContact O-N 2.94Å; G134-V138 PolarHBondContact O-N 3.32Å; G134-I305 VanDerWaalsContact CA-CD1 3.46Å; G134-I305 VanDerWaalsContact O-CG2 3.32Å; G134-I305 WeakPolarHBondContact O-CG2 3.36Å |
| 135 | A | 80.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -30.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L92 L132 G133 E137 V138 Y250 | L92-A135 HydrophobicContact CD1-CB 4.18Å; L132-A135 WeakPolarHBondContact O-CB 3.24Å; L132-A135 PolarHBondContact O-N 3.13Å; G133-A135 PolarHBondContact O-N 3Å; A135-E137 VanDerWaalsContact C-N 3.26Å; A135-E137 PolarHBondContact O-N 2.87Å; A135-V138 WeakPolarHBondContact O-CB 3.37Å; A135-V138 PolarHBondContact O-N 3.24Å; A135-Y250 HydrophobicContact CB-CD1 4.39Å |
| 136 | A | 83.4 | Confident | 89.4 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -30.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G133 G134 V138 Q139 | G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 2.97Å; G133-A136 VanDerWaalsContact O-N 3.15Å; G134-A136 PolarHBondContact O-N 2.98Å; A136-V138 VanDerWaalsContact C-N 3.32Å; A136-Q139 VanDerWaalsContact O-CB 3.25Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.97Å |
| 137 | E | 87.3 | Confident | 89.8 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74 | -23.7 | 177.5 | -57.9 | 179.5 | -149.9 | 0 | 0 | 112.9 | G134 A135 Q139 P140 P301 I309 | G134-E137 WeakPolarHBondContact O-CB 3.47Å; G134-E137 PolarHBondContact O-N 2.94Å; A135-E137 VanDerWaalsContact C-N 3.26Å; A135-E137 PolarHBondContact O-N 2.87Å; E137-Q139 VanDerWaalsContact C-N 3.28Å; E137-Q139 PolarHBondContact O-N 3.33Å; E137-P140 WeakPolarHBondContact O-CD 3.45Å; E137-P140 WeakPolarHBondContact O-CG 3.5Å; E137-P301 WeakPolarHBondContact OE2-CG 3.36Å; E137-I309 HydrophobicContact CB-CD1 3.94Å |
| 138 | V | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -31.5 | 173.6 | 178 | 0 | 0 | 0 | 0 | 111.1 | V85 G134 A135 A136 H141 W142 Y250 I305 I309 L312 | V85-V138 HydrophobicContact CG1-CG1 4.11Å; G134-V138 PolarHBondContact O-N 3.32Å; A135-V138 WeakPolarHBondContact O-CB 3.37Å; A135-V138 PolarHBondContact O-N 3.24Å; A136-V138 VanDerWaalsContact C-N 3.32Å; V138-H141 PolarHBondContact O-N 3.08Å; V138-H141 VanDerWaalsContact O-N 3.09Å; V138-W142 HydrophobicContact CG1-CB 4.32Å; V138-W142 WeakPolarHBondContact O-CB 3.31Å; V138-W142 PolarHBondContact O-N 2.94Å; V138-Y250 HydrophobicContact CG1-CD2 4.25Å; V138-Y250 HydrophobicContact CG1-CE2 4.05Å; V138-I305 HydrophobicContact CG2-CG2 4.01Å; V138-I309 HydrophobicContact CG2-CG1 4.15Å; V138-L312 HydrophobicContact CG1-CD1 3.69Å |
| 139 | Q | 94 | Very high | 90.6 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -51 | -51.4 | -172.4 | -179.4 | 53.2 | 63.8 | 0 | 0 | 115.9 | A136 E137 H141 W142 R143 S247 Y250 S251 | A136-Q139 VanDerWaalsContact O-CB 3.25Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.97Å; E137-Q139 VanDerWaalsContact C-N 3.28Å; E137-Q139 PolarHBondContact O-N 3.33Å; Q139-H141 VanDerWaalsContact C-N 3.27Å; Q139-H141 PolarHBondContact O-N 3.24Å; Q139-W142 PolarHBondContact O-N 2.94Å; Q139-R143 PolarHBondContact O-N 3.39Å; Q139-S247 PolarHBondContact NE2-O 3.4Å; Q139-Y250 VanDerWaalsContact OE1-CB 3.3Å; Q139-S251 PolarHBondContact OE1-OG 3.21Å |
| 140 | P | 95 | Very high | 91.2 | Very high | 71 Ų | 71 | 33.2 Ų | 33.2 | 46% | 0.461 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 178.8 | 21.7 | -34.1 | 0 | 0 | 0 | 112.4 | E137 S144 | E137-P140 WeakPolarHBondContact O-CD 3.45Å; E137-P140 WeakPolarHBondContact O-CG 3.5Å; P140-S144 PolarHBondContact O-N 3.41Å |
| 141 | H | 96.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.2 | -38.1 | 179.6 | -59.8 | -59.6 | 0 | 0 | 0 | 112.3 | V138 Q139 S144 Y145 I309 L312 K313 N316 | V138-H141 PolarHBondContact O-N 3.08Å; V138-H141 VanDerWaalsContact O-N 3.09Å; Q139-H141 VanDerWaalsContact C-N 3.27Å; Q139-H141 PolarHBondContact O-N 3.24Å; H141-S144 PolarHBondContact O-N 3.19Å; H141-Y145 WeakPolarHBondContact O-CB 3.45Å; H141-Y145 PolarHBondContact O-N 3.01Å; H141-I309 VanDerWaalsContact CD2-CG2 3.49Å; H141-I309 WeakPolarHBondContact CD2-CG2 3.35Å; H141-L312 HydrophobicContact CB-CB 3.86Å; H141-L312 HydrophobicContact CB-CD1 3.93Å; H141-K313 VanDerWaalsContact CE1-CE 3.46Å; H141-K313 WeakPolarHBondContact CE1-CE 3.3Å; H141-N316 PolarHBondContact O-ND2 2.78Å; H141-N316 VanDerWaalsContact O-ND2 3.1Å |
| 142 | W | 97.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 173.3 | 176.7 | -110.2 | 0 | 0 | 0 | 112.4 | V85 V86 V138 Q139 S144 Y145 I146 F246 Y250 | V85-W142 HydrophobicContact CB-CZ3 4.27Å; V85-W142 HydrophobicContact CG1-CE3 3.97Å; V85-W142 HydrophobicContact CG1-CZ3 4.08Å; V86-W142 HydrophobicContact CG2-CH2 4.05Å; V138-W142 HydrophobicContact CG1-CB 4.32Å; V138-W142 WeakPolarHBondContact O-CB 3.31Å; V138-W142 PolarHBondContact O-N 2.94Å; Q139-W142 PolarHBondContact O-N 2.94Å; W142-S144 PolarHBondContact O-N 3.02Å; W142-Y145 HydrophobicContact CD2-CD1 4.3Å; W142-Y145 AromaticContact CE3-CD1 3.63Å; W142-Y145 HydrophobicContact CE3-CD1 3.63Å; W142-Y145 HydrophobicContact CE3-CE1 4.04Å; W142-Y145 HydrophobicContact CH2-CD1 4.3Å; W142-Y145 AromaticContact CH2-CE1 3.94Å; W142-Y145 HydrophobicContact CH2-CE1 3.94Å; W142-Y145 AromaticContact CZ3-CD1 3.64Å; W142-Y145 HydrophobicContact CZ3-CD1 3.64Å; W142-Y145 AromaticContact CZ3-CE1 3.53Å; W142-Y145 HydrophobicContact CZ3-CE1 3.53Å; W142-Y145 WeakPolarHBondContact O-CB 3.29Å; W142-Y145 PolarHBondContact O-N 3.12Å; W142-Y145 VanDerWaalsContact O-N 3.14Å; W142-I146 HydrophobicContact CD2-CD1 4.17Å; W142-I146 HydrophobicContact CH2-CD1 4.49Å; W142-I146 HydrophobicContact CZ2-CD1 3.57Å; W142-I146 HydrophobicContact CZ2-CG1 4.22Å; W142-I146 VanDerWaalsContact NE1-CD1 3.26Å; W142-I146 PolarHBondContact O-N 3.29Å; W142-F246 PolarHBondContact NE1-O 2.8Å; W142-Y250 HydrophobicContact CB-CD2 4.04Å; W142-Y250 HydrophobicContact CB-CE2 4.13Å; W142-Y250 AromaticContact CD1-CD2 3.79Å; W142-Y250 AromaticContact CD1-CE2 3.96Å; W142-Y250 HydrophobicContact CD2-CD2 4.36Å; W142-Y250 AromaticContact CD2-CE2 3.79Å; W142-Y250 HydrophobicContact CD2-CE2 3.79Å; W142-Y250 HydrophobicContact CE3-CE2 4.28Å; W142-Y250 AromaticContact CG-CD2 3.8Å; W142-Y250 HydrophobicContact CG-CD2 3.8Å; W142-Y250 AromaticContact CG-CE2 3.7Å; W142-Y250 HydrophobicContact CG-CE2 3.7Å |
| 143 | R | 97.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 33 Ų | 33 | 43% | 0.434 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.6 | -47 | 176.5 | -174.5 | -179.1 | -64.4 | 138.9 | 0.1 | 111.4 | Q139 Y145 I146 D147 S248 | Q139-R143 PolarHBondContact O-N 3.39Å; R143-Y145 PolarHBondContact O-N 3.28Å; R143-I146 PolarHBondContact O-N 3.48Å; R143-D147 WeakPolarHBondContact O-CB 3.37Å; R143-D147 PolarHBondContact O-N 3.06Å; R143-S248 PolarHBondContact NH2-OG 3.32Å |
| 144 | S | 97.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 33 Ų | 33 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -33 | 176 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | P140 H141 W142 G148 N316 | P140-S144 PolarHBondContact O-N 3.41Å; H141-S144 PolarHBondContact O-N 3.19Å; W142-S144 PolarHBondContact O-N 3.02Å; S144-G148 PolarHBondContact O-N 3.48Å; S144-N316 WeakPolarHBondContact CB-ND2 3.32Å; S144-N316 PolarHBondContact OG-ND2 3.2Å |
| 145 | Y | 98.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -49.3 | 175.7 | 158.4 | -96.7 | 0 | 0 | 0 | 112 | A78 H141 W142 R143 D147 G148 L149 L312 I315 N316 L319 | A78-Y145 HydrophobicContact CB-CE2 3.84Å; A78-Y145 WeakPolarHBondContact O-CE2 3.5Å; A78-Y145 PolarHBondContact O-OH 3.06Å; H141-Y145 WeakPolarHBondContact O-CB 3.45Å; H141-Y145 PolarHBondContact O-N 3.01Å; W142-Y145 HydrophobicContact CD2-CD1 4.3Å; W142-Y145 AromaticContact CE3-CD1 3.63Å; W142-Y145 HydrophobicContact CE3-CD1 3.63Å; W142-Y145 HydrophobicContact CE3-CE1 4.04Å; W142-Y145 HydrophobicContact CH2-CD1 4.3Å; W142-Y145 AromaticContact CH2-CE1 3.94Å; W142-Y145 HydrophobicContact CH2-CE1 3.94Å; W142-Y145 AromaticContact CZ3-CD1 3.64Å; W142-Y145 HydrophobicContact CZ3-CD1 3.64Å; W142-Y145 AromaticContact CZ3-CE1 3.53Å; W142-Y145 HydrophobicContact CZ3-CE1 3.53Å; W142-Y145 WeakPolarHBondContact O-CB 3.29Å; W142-Y145 PolarHBondContact O-N 3.12Å; W142-Y145 VanDerWaalsContact O-N 3.14Å; R143-Y145 PolarHBondContact O-N 3.28Å; Y145-D147 PolarHBondContact O-N 3.29Å; Y145-G148 PolarHBondContact O-N 3.33Å; Y145-L149 HydrophobicContact CE1-CD2 4.48Å; Y145-L149 HydrophobicContact CE2-CD2 4.38Å; Y145-L149 WeakPolarHBondContact O-CB 3.47Å; Y145-L149 PolarHBondContact O-N 3.41Å; Y145-L312 HydrophobicContact CD1-CD2 4.43Å; Y145-L312 HydrophobicContact CD2-CD2 4.23Å; Y145-L312 HydrophobicContact CG-CD2 3.9Å; Y145-I315 HydrophobicContact CD2-CG2 3.79Å; Y145-I315 HydrophobicContact CE2-CG2 4.43Å; Y145-N316 WeakPolarHBondContact CA-OD1 3.26Å; Y145-N316 VanDerWaalsContact CB-OD1 3.3Å; Y145-N316 WeakPolarHBondContact CB-OD1 3.17Å; Y145-N316 PolarHBondContact N-OD1 3.13Å; Y145-L319 HydrophobicContact CD2-CD1 4.32Å |
| 146 | I | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 177.7 | -73.3 | 175.5 | 0 | 0 | 0 | 111.1 | W142 R143 G150 L243 K244 F246 | W142-I146 HydrophobicContact CD2-CD1 4.17Å; W142-I146 HydrophobicContact CH2-CD1 4.49Å; W142-I146 HydrophobicContact CZ2-CD1 3.57Å; W142-I146 HydrophobicContact CZ2-CG1 4.22Å; W142-I146 VanDerWaalsContact NE1-CD1 3.26Å; W142-I146 PolarHBondContact O-N 3.29Å; R143-I146 PolarHBondContact O-N 3.48Å; I146-G150 PolarHBondContact O-N 3.25Å; I146-L243 HydrophobicContact CD1-CD1 4.3Å; I146-L243 HydrophobicContact CD1-CG 4.2Å; I146-L243 HydrophobicContact CG1-CD1 4.47Å; I146-L243 HydrophobicContact CG1-CD2 4.22Å; I146-L243 HydrophobicContact CG1-CG 4.05Å; I146-L243 HydrophobicContact CG2-CG 4.4Å; I146-K244 HydrophobicContact CG2-CG 4.35Å; I146-F246 HydrophobicContact CD1-CB 4.47Å |
| 147 | D | 97.2 | Very high | 95 | Very high | 79 Ų | 79 | 37.2 Ų | 37.2 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.3 | -47.5 | 177.9 | 176.2 | 56.7 | 0 | 0 | 0 | 112 | R143 Y145 L149 G150 K151 | R143-D147 WeakPolarHBondContact O-CB 3.37Å; R143-D147 PolarHBondContact O-N 3.06Å; Y145-D147 PolarHBondContact O-N 3.29Å; D147-L149 PolarHBondContact O-N 2.93Å; D147-G150 PolarHBondContact O-N 3.3Å; D147-K151 WeakPolarHBondContact O-CG 3.3Å; D147-K151 PolarHBondContact O-N 2.86Å; D147-K151 VanDerWaalsContact OD1-CE 3.3Å; D147-K151 WeakPolarHBondContact OD1-CE 3.49Å; D147-K151 IonicContact OD1-NZ 2.71Å; D147-K151 WeakPolarHBondContact OD2-CE 3.26Å; D147-K151 IonicContact OD2-NZ 2.65Å; D147-K151 PolarHBondContact OD2-NZ 3.04Å |
| 148 | G | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S144 Y145 K151 L152 | S144-G148 PolarHBondContact O-N 3.48Å; Y145-G148 PolarHBondContact O-N 3.33Å; G148-K151 PolarHBondContact O-N 3.41Å; G148-L152 PolarHBondContact O-N 2.95Å |
| 149 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -42.5 | 176.2 | -176.4 | 60.7 | 0 | 0 | 0 | 111.2 | F75 A78 L79 Y145 D147 L152 A153 I240 L243 L319 | F75-L149 HydrophobicContact CD2-CD1 3.36Å; F75-L149 HydrophobicContact CD2-CG 4.36Å; F75-L149 HydrophobicContact CE2-CD1 3.57Å; F75-L149 HydrophobicContact CE2-CG 4.11Å; F75-L149 HydrophobicContact CG-CD1 4.3Å; A78-L149 HydrophobicContact CB-CD1 3.69Å; L79-L149 HydrophobicContact CD2-CD2 3.9Å; Y145-L149 HydrophobicContact CE1-CD2 4.48Å; Y145-L149 HydrophobicContact CE2-CD2 4.38Å; Y145-L149 WeakPolarHBondContact O-CB 3.47Å; Y145-L149 PolarHBondContact O-N 3.41Å; D147-L149 PolarHBondContact O-N 2.93Å; L149-L152 PolarHBondContact O-N 3.42Å; L149-A153 WeakPolarHBondContact O-CB 3.34Å; L149-A153 PolarHBondContact O-N 3.19Å; L149-I240 HydrophobicContact CD2-CD1 4.01Å; L149-I240 HydrophobicContact CG-CD1 3.77Å; L149-L243 HydrophobicContact CD2-CD2 3.76Å; L149-L319 HydrophobicContact CB-CD1 4.42Å; L149-L319 HydrophobicContact CD1-CD2 4.31Å |
| 150 | G | 96.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I146 D147 G154 | I146-G150 PolarHBondContact O-N 3.25Å; D147-G150 PolarHBondContact O-N 3.3Å; G150-G154 PolarHBondContact O-N 3.19Å |
| 151 | K | 95.4 | Very high | 93.9 | Very high | 104 Ų | 104 | 36.3 Ų | 36.3 | 45% | 0.452 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -46.8 | 174.4 | -75.5 | 167.5 | 177.3 | 167.3 | 0 | 111.7 | D147 G148 G154 G155 T323 | D147-K151 WeakPolarHBondContact O-CG 3.3Å; D147-K151 PolarHBondContact O-N 2.86Å; D147-K151 VanDerWaalsContact OD1-CE 3.3Å; D147-K151 WeakPolarHBondContact OD1-CE 3.49Å; D147-K151 IonicContact OD1-NZ 2.71Å; D147-K151 WeakPolarHBondContact OD2-CE 3.26Å; D147-K151 IonicContact OD2-NZ 2.65Å; D147-K151 PolarHBondContact OD2-NZ 3.04Å; G148-K151 PolarHBondContact O-N 3.41Å; K151-G154 PolarHBondContact O-N 3.29Å; K151-G155 PolarHBondContact O-N 3.26Å; K151-T323 HydrophobicContact CB-CG2 4.24Å |
| 152 | L | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 175.9 | 179.3 | 63.4 | 0 | 0 | 0 | 111.2 | A71 V74 F75 G148 L149 G154 G155 M156 L319 V322 T323 | A71-L152 HydrophobicContact CB-CD1 4.12Å; V74-L152 HydrophobicContact CB-CD2 4.25Å; V74-L152 HydrophobicContact CG1-CD2 4.03Å; F75-L152 HydrophobicContact CB-CD2 4.09Å; G148-L152 PolarHBondContact O-N 2.95Å; L149-L152 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 PolarHBondContact O-N 2.9Å; L152-G155 CarbonylContact O-C 3.54Å; L152-G155 WeakPolarHBondContact O-CA 3.28Å; L152-G155 PolarHBondContact O-N 3.46Å; L152-M156 HydrophobicContact CG-SD 4.43Å; L152-M156 WeakPolarHBondContact O-CG 3.46Å; L152-M156 PolarHBondContact O-N 3.35Å; L152-L319 HydrophobicContact CB-CD2 4.11Å; L152-L319 HydrophobicContact CD2-CD2 3.58Å; L152-L319 HydrophobicContact CG-CD2 4.49Å; L152-V322 HydrophobicContact CD1-CB 4.31Å; L152-V322 HydrophobicContact CD1-CG1 3.63Å; L152-T323 HydrophobicContact CB-CG2 3.76Å; L152-T323 HydrophobicContact CD1-CG2 4.09Å |
| 153 | A | 94.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F75 L149 G155 M156 R236 I240 | F75-A153 HydrophobicContact CD2-CB 4.33Å; F75-A153 HydrophobicContact CE2-CB 3.86Å; L149-A153 WeakPolarHBondContact O-CB 3.34Å; L149-A153 PolarHBondContact O-N 3.19Å; A153-G155 VanDerWaalsContact C-N 3.29Å; A153-M156 PolarHBondContact O-N 2.97Å; A153-R236 HydrophobicContact CB-CG 4.05Å; A153-R236 PolarHBondContact O-NE 3.2Å; A153-I240 HydrophobicContact CB-CD1 4.12Å; A153-I240 HydrophobicContact CB-CG1 3.69Å |
| 154 | G | 92.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 37% | 0.371 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.8 | -30.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G150 K151 L152 R157 | G150-G154 PolarHBondContact O-N 3.19Å; K151-G154 PolarHBondContact O-N 3.29Å; L152-G154 VanDerWaalsContact C-N 3.28Å; L152-G154 PolarHBondContact O-N 2.9Å; G154-R157 PolarHBondContact O-NE 3.43Å |
| 155 | G | 90.9 | Very high | 93 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.4 | -25.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K151 L152 A153 R157 E326 R330 | K151-G155 PolarHBondContact O-N 3.26Å; L152-G155 CarbonylContact O-C 3.54Å; L152-G155 WeakPolarHBondContact O-CA 3.28Å; L152-G155 PolarHBondContact O-N 3.46Å; A153-G155 VanDerWaalsContact C-N 3.29Å; G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 3.5Å; G155-E326 WeakPolarHBondContact CA-OE1 3.42Å; G155-E326 WeakPolarHBondContact CA-OE2 3.5Å; G155-E326 VanDerWaalsContact O-OE1 3.06Å; G155-R330 PolarHBondContact O-NH2 2.96Å |
| 156 | M | 92.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | trans | -66.9 | 84.9 | 172.9 | -68.4 | 173.7 | 74.1 | 0 | 0 | 110.7 | A71 F75 L152 A153 R236 | A71-M156 HydrophobicContact CB-CG 3.94Å; A71-M156 HydrophobicContact CB-SD 4.38Å; F75-M156 HydrophobicContact CB-SD 4.05Å; F75-M156 HydrophobicContact CD2-SD 4.25Å; F75-M156 HydrophobicContact CG-SD 4.13Å; L152-M156 HydrophobicContact CG-SD 4.43Å; L152-M156 WeakPolarHBondContact O-CG 3.46Å; L152-M156 PolarHBondContact O-N 3.35Å; A153-M156 PolarHBondContact O-N 2.97Å; M156-R236 PolarHBondContact O-NH2 2.67Å | ||
| 157 | R | 88.5 | Confident | 92.4 | Very high | 137 Ų | 137 | 39.7 Ų | 39.7 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | trans | -145.5 | 151.7 | 177.2 | -62.1 | -177.8 | -175.1 | -100.3 | 1.1 | 109.9 | G154 G155 E159 Q160 | G154-R157 PolarHBondContact O-NE 3.43Å; G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 3.5Å; R157-E159 PolarHBondContact O-N 2.97Å; R157-Q160 PolarHBondContact O-N 2.89Å | ||
| 158 | G | 86.5 | Confident | 92.3 | Very high | 45 Ų | 45 | 43.3 Ų | 43.3 | 46% | 0.464 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 55.5 | -120.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q160 D161 A164 | G158-Q160 PolarHBondContact O-N 3.26Å; G158-Q160 VanDerWaalsContact O-N 3.15Å; G158-D161 PolarHBondContact O-N 3.3Å; G158-A164 WeakPolarHBondContact O-CB 3.49Å |
| 159 | E | 84.3 | Confident | 92.1 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -66.9 | -11.5 | -179.3 | -58.1 | -166.3 | 154.7 | 0 | 0 | 115.4 | R64 R67 R157 V165 | R64-E159 HydrophobicContact CG-CB 4.22Å; R64-E159 HydrophobicContact CG-CG 4.33Å; R64-E159 IonicContact CZ-OE1 2.64Å; R64-E159 VanDerWaalsContact NE-CD 3.29Å; R64-E159 IonicContact NE-OE1 3.99Å; R64-E159 PolarHBondContact NE-OE1 3.39Å; R64-E159 IonicContact NE-OE2 2.54Å; R64-E159 IonicContact NH2-OE1 2.79Å; R64-E159 PolarHBondContact NH2-OE1 2.89Å; R67-E159 IonicContact NH1-OE2 3.08Å; R157-E159 PolarHBondContact O-N 2.97Å; E159-V165 VanDerWaalsContact O-CG2 3.24Å; E159-V165 WeakPolarHBondContact O-CG2 3.27Å |
| 160 | Q | 84.3 | Confident | 92 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -105.4 | -6.4 | 178.6 | -57.3 | -169.1 | 11.5 | 0 | 0 | 112.5 | S68 R157 G158 E326 | S68-Q160 WeakPolarHBondContact CA-O 3.32Å; R157-Q160 PolarHBondContact O-N 2.89Å; G158-Q160 PolarHBondContact O-N 3.26Å; G158-Q160 VanDerWaalsContact O-N 3.15Å; Q160-E326 PolarHBondContact OE1-OE1 3.02Å; Q160-E326 VanDerWaalsContact OE1-OE1 3.13Å |
| 161 | D | 91.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | trans | -91.1 | 125.6 | 173.4 | -178 | -81.3 | 0 | 0 | 0 | 109.3 | G158 E163 A164 V165 R236 | G158-D161 PolarHBondContact O-N 3.3Å; D161-E163 WeakPolarHBondContact OD1-CA 3.3Å; D161-E163 VanDerWaalsContact OD1-CB 3.32Å; D161-E163 WeakPolarHBondContact OD1-CB 3.01Å; D161-E163 PolarHBondContact OD1-N 3.44Å; D161-A164 HydrophobicContact CB-CB 4.01Å; D161-A164 PolarHBondContact O-N 2.93Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-V165 VanDerWaalsContact O-CG2 3.31Å; D161-V165 WeakPolarHBondContact O-CG2 3.34Å; D161-V165 PolarHBondContact O-N 3.2Å; D161-R236 IonicContact OD2-CZ 3.16Å; D161-R236 VanDerWaalsContact OD2-CZ 3.23Å; D161-R236 IonicContact OD2-NH1 3.3Å; D161-R236 PolarHBondContact OD2-NH1 2.99Å; D161-R236 IonicContact OD2-NH2 3.91Å; D161-R236 PolarHBondContact OD2-NH2 3.1Å | ||
| 162 | M | 92.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -39.7 | -174.1 | 179.2 | -83.5 | -67.3 | 0 | 0 | 111.9 | I5 L69 T72 V165 V166 L232 | I5-M162 HydrophobicContact CD1-CE 4.39Å; L69-M162 HydrophobicContact CD2-CG 3.95Å; T72-M162 HydrophobicContact CG2-CE 4.36Å; T72-M162 VanDerWaalsContact OG1-CB 3.28Å; T72-M162 WeakPolarHBondContact OG1-CB 3.44Å; M162-V165 PolarHBondContact O-N 2.85Å; M162-V166 HydrophobicContact CG-CG2 4.22Å; M162-V166 VanDerWaalsContact O-CB 3.31Å; M162-V166 WeakPolarHBondContact O-CB 3.18Å; M162-V166 VanDerWaalsContact O-CG2 3.22Å; M162-V166 WeakPolarHBondContact O-CG2 3.49Å; M162-V166 PolarHBondContact O-N 2.95Å; M162-V166 HydrophobicContact SD-CG2 3.82Å; M162-L232 HydrophobicContact CE-CD2 4.1Å |
| 163 | E | 92.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 49 Ų | 49 | 23% | 0.229 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 176.2 | 168.6 | -179.9 | -128.6 | 0 | 0 | 109.8 | D161 V165 V166 L167 L232 A233 | D161-E163 WeakPolarHBondContact OD1-CA 3.3Å; D161-E163 VanDerWaalsContact OD1-CB 3.32Å; D161-E163 WeakPolarHBondContact OD1-CB 3.01Å; D161-E163 PolarHBondContact OD1-N 3.44Å; E163-V165 PolarHBondContact O-N 3.45Å; E163-V166 PolarHBondContact O-N 3.41Å; E163-L167 HydrophobicContact CG-CD1 3.84Å; E163-L167 WeakPolarHBondContact O-CB 3.36Å; E163-L167 WeakPolarHBondContact O-CG 3.37Å; E163-L167 PolarHBondContact O-N 3.38Å; E163-L232 HydrophobicContact CB-CB 4.42Å; E163-L232 HydrophobicContact CB-CD2 4.48Å; E163-L232 PolarHBondContact OE1-N 3.16Å; E163-L232 WeakPolarHBondContact OE2-CB 3.49Å; E163-L232 PolarHBondContact OE2-N 3.49Å; E163-L232 VanDerWaalsContact OE2-N 3.15Å; E163-A233 PolarHBondContact OE2-N 3.4Å |
| 164 | A | 92.3 | Very high | 92 | Very high | 25 Ų | 25 | 56 Ų | 56 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G158 D161 R168 | G158-A164 WeakPolarHBondContact O-CB 3.49Å; D161-A164 HydrophobicContact CB-CB 4.01Å; D161-A164 PolarHBondContact O-N 2.93Å; D161-A164 PolarHBondContact OD1-N 3.43Å; A164-R168 WeakPolarHBondContact O-CB 3.48Å; A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.34Å; A164-R168 PolarHBondContact O-N 3.14Å |
| 165 | V | 93.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -47.2 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | R64 L65 E159 D161 M162 E163 R168 L169 | R64-V165 HydrophobicContact CB-CG1 3.96Å; R64-V165 HydrophobicContact CB-CG2 4.08Å; L65-V165 HydrophobicContact CD2-CG1 3.74Å; L65-V165 HydrophobicContact CG-CG1 4.12Å; E159-V165 VanDerWaalsContact O-CG2 3.24Å; E159-V165 WeakPolarHBondContact O-CG2 3.27Å; D161-V165 VanDerWaalsContact O-CG2 3.31Å; D161-V165 WeakPolarHBondContact O-CG2 3.34Å; D161-V165 PolarHBondContact O-N 3.2Å; M162-V165 PolarHBondContact O-N 2.85Å; E163-V165 PolarHBondContact O-N 3.45Å; V165-R168 PolarHBondContact O-N 3.37Å; V165-R168 VanDerWaalsContact O-N 3.13Å; V165-L169 WeakPolarHBondContact O-CG 3.48Å; V165-L169 PolarHBondContact O-N 3.47Å; V165-L169 VanDerWaalsContact O-N 3.12Å |
| 166 | V | 92.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | -178.1 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | M1 M162 E163 R168 L169 | M1-V166 HydrophobicContact SD-CG2 4.47Å; M162-V166 HydrophobicContact CG-CG2 4.22Å; M162-V166 VanDerWaalsContact O-CB 3.31Å; M162-V166 WeakPolarHBondContact O-CB 3.18Å; M162-V166 VanDerWaalsContact O-CG2 3.22Å; M162-V166 WeakPolarHBondContact O-CG2 3.49Å; M162-V166 PolarHBondContact O-N 2.95Å; M162-V166 HydrophobicContact SD-CG2 3.82Å; E163-V166 PolarHBondContact O-N 3.41Å; V166-R168 PolarHBondContact O-N 3.46Å; V166-L169 HydrophobicContact CG2-CD1 4.41Å; V166-L169 WeakPolarHBondContact O-CB 3.32Å; V166-L169 PolarHBondContact O-N 3.04Å; V166-L169 VanDerWaalsContact O-N 3.11Å |
| 167 | L | 92.1 | Very high | 92.4 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 67% | 0.665 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.2 | -28.6 | 175.6 | -70.8 | 172.8 | 0 | 0 | 0 | 112.6 | E163 | E163-L167 HydrophobicContact CG-CD1 3.84Å; E163-L167 WeakPolarHBondContact O-CB 3.36Å; E163-L167 WeakPolarHBondContact O-CG 3.37Å; E163-L167 PolarHBondContact O-N 3.38Å |
| 168 | R | 93.4 | Very high | 92.6 | Very high | 155 Ų | 155 | 60.1 Ų | 60.1 | 59% | 0.585 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -86.2 | -13.1 | 176.8 | -71.9 | 177.5 | -174 | -107.5 | 2.4 | 114.4 | A164 V165 V166 S171 L172 | A164-R168 WeakPolarHBondContact O-CB 3.48Å; A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.34Å; A164-R168 PolarHBondContact O-N 3.14Å; V165-R168 PolarHBondContact O-N 3.37Å; V165-R168 VanDerWaalsContact O-N 3.13Å; V166-R168 PolarHBondContact O-N 3.46Å; R168-S171 PolarHBondContact O-N 3.48Å; R168-L172 PolarHBondContact O-N 3.47Å; R168-L172 VanDerWaalsContact O-N 3.13Å |
| 169 | L | 94.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -45.8 | -177.7 | -73.2 | 176.2 | 0 | 0 | 0 | 113.5 | M1 I61 L65 V165 V166 S171 L172 I173 | M1-L169 HydrophobicContact CE-CD1 4.07Å; M1-L169 HydrophobicContact SD-CD1 4.27Å; I61-L169 HydrophobicContact CB-CD2 4.44Å; I61-L169 HydrophobicContact CD1-CD2 4.48Å; I61-L169 HydrophobicContact CG1-CD2 4.09Å; I61-L169 HydrophobicContact CG2-CD2 3.66Å; L65-L169 HydrophobicContact CD1-CD2 4.22Å; L65-L169 HydrophobicContact CD2-CD1 4.31Å; L65-L169 HydrophobicContact CG-CD2 4.37Å; V165-L169 WeakPolarHBondContact O-CG 3.48Å; V165-L169 PolarHBondContact O-N 3.47Å; V165-L169 VanDerWaalsContact O-N 3.12Å; V166-L169 HydrophobicContact CG2-CD1 4.41Å; V166-L169 WeakPolarHBondContact O-CB 3.32Å; V166-L169 PolarHBondContact O-N 3.04Å; V166-L169 VanDerWaalsContact O-N 3.11Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 2.87Å; L169-L172 PolarHBondContact O-N 2.91Å; L169-L172 VanDerWaalsContact O-N 3.16Å; L169-I173 HydrophobicContact CB-CD1 4.49Å; L169-I173 VanDerWaalsContact O-CG1 3.27Å; L169-I173 WeakPolarHBondContact O-CG1 3.22Å; L169-I173 PolarHBondContact O-N 3.39Å |
| 170 | P | 95.3 | Very high | 93.3 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | -179.5 | -25.4 | 35.9 | 0 | 0 | 0 | 112.6 | I173 K174 | P170-I173 PolarHBondContact O-N 2.9Å; P170-K174 WeakPolarHBondContact O-CB 3.41Å; P170-K174 PolarHBondContact O-N 3.04Å |
| 171 | S | 95.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | R168 L169 I173 K174 L175 | R168-S171 PolarHBondContact O-N 3.48Å; L169-S171 VanDerWaalsContact C-N 3.28Å; L169-S171 PolarHBondContact O-N 2.87Å; S171-I173 VanDerWaalsContact C-N 3.35Å; S171-I173 PolarHBondContact O-N 3.25Å; S171-K174 PolarHBondContact O-N 3.05Å; S171-L175 WeakPolarHBondContact O-CG 3.17Å; S171-L175 PolarHBondContact O-N 3.19Å |
| 172 | L | 94.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.8 | -67.2 | 175.5 | 0 | 0 | 0 | 112.2 | Y57 L60 I61 R168 L169 L175 A176 | Y57-L172 HydrophobicContact CD1-CD2 4.38Å; L60-L172 HydrophobicContact CD2-CD2 3.99Å; I61-L172 HydrophobicContact CD1-CB 3.88Å; I61-L172 HydrophobicContact CG1-CB 3.97Å; I61-L172 HydrophobicContact CG1-CD1 3.8Å; R168-L172 PolarHBondContact O-N 3.47Å; R168-L172 VanDerWaalsContact O-N 3.13Å; L169-L172 PolarHBondContact O-N 2.91Å; L169-L172 VanDerWaalsContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 2.77Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.86Å |
| 173 | I | 95.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 175.3 | -66.1 | 161.9 | 0 | 0 | 0 | 110.4 | F19 L23 I61 L169 P170 S171 L175 A176 L177 | F19-I173 HydrophobicContact CE1-CD1 4Å; F19-I173 HydrophobicContact CE1-CG1 4.08Å; F19-I173 HydrophobicContact CZ-CD1 3.74Å; F19-I173 HydrophobicContact CZ-CG1 4.23Å; F19-I173 HydrophobicContact CZ-CG2 4.41Å; L23-I173 HydrophobicContact CD2-CG2 4.31Å; I61-I173 HydrophobicContact CD1-CG1 4.24Å; L169-I173 HydrophobicContact CB-CD1 4.49Å; L169-I173 VanDerWaalsContact O-CG1 3.27Å; L169-I173 WeakPolarHBondContact O-CG1 3.22Å; L169-I173 PolarHBondContact O-N 3.39Å; P170-I173 PolarHBondContact O-N 2.9Å; S171-I173 VanDerWaalsContact C-N 3.35Å; S171-I173 PolarHBondContact O-N 3.25Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 3.03Å; I173-A176 WeakPolarHBondContact O-CB 3.34Å; I173-A176 PolarHBondContact O-N 3.45Å; I173-L177 HydrophobicContact CG2-CD1 4.23Å; I173-L177 HydrophobicContact CG2-CG 4.49Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.19Å |
| 174 | K | 95.6 | Very high | 93.2 | Very high | 156 Ų | 156 | 68.7 Ų | 68.7 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 176.3 | -167.9 | 178.4 | -177.2 | 179.4 | 0 | 111.8 | P170 S171 L177 K178 | P170-K174 WeakPolarHBondContact O-CB 3.41Å; P170-K174 PolarHBondContact O-N 3.04Å; S171-K174 PolarHBondContact O-N 3.05Å; K174-L177 PolarHBondContact O-N 3.36Å; K174-K178 PolarHBondContact O-N 3.41Å |
| 175 | L | 95.8 | Very high | 93 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 40% | 0.398 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 174.9 | -68.7 | 171.5 | 0 | 0 | 0 | 112.1 | Y57 S171 L172 I173 L177 K178 Q179 | Y57-L175 HydrophobicContact CD1-CB 4.15Å; Y57-L175 HydrophobicContact CE1-CB 3.58Å; Y57-L175 HydrophobicContact CE1-CD1 3.87Å; Y57-L175 HydrophobicContact CE1-CG 4.36Å; Y57-L175 HydrophobicContact CE2-CB 3.96Å; Y57-L175 VanDerWaalsContact CZ-CB 3.48Å; S171-L175 WeakPolarHBondContact O-CG 3.17Å; S171-L175 PolarHBondContact O-N 3.19Å; L172-L175 PolarHBondContact O-N 2.77Å; I173-L175 VanDerWaalsContact C-N 3.34Å; I173-L175 PolarHBondContact O-N 3.03Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.08Å; L175-K178 PolarHBondContact O-N 3.44Å; L175-Q179 PolarHBondContact O-N 3.18Å |
| 176 | A | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F20 F54 Y57 L172 I173 Q179 A180 | F20-A176 HydrophobicContact CE1-CB 4.18Å; F54-A176 HydrophobicContact CB-CB 3.99Å; F54-A176 HydrophobicContact CD1-CB 4.15Å; F54-A176 WeakPolarHBondContact CD1-O 3.39Å; F54-A176 HydrophobicContact CG-CB 4.3Å; Y57-A176 VanDerWaalsContact CD2-CA 3.48Å; Y57-A176 HydrophobicContact CD2-CB 4.01Å; Y57-A176 HydrophobicContact CG-CB 4.06Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.86Å; I173-A176 WeakPolarHBondContact O-CB 3.34Å; I173-A176 PolarHBondContact O-N 3.45Å; A176-Q179 WeakPolarHBondContact O-CB 3.18Å; A176-Q179 PolarHBondContact O-N 3.34Å; A176-A180 PolarHBondContact O-N 3.39Å; A176-A180 VanDerWaalsContact O-N 3.09Å |
| 177 | L | 94.4 | Very high | 92.5 | Very high | 58 Ų | 58 | 75.2 Ų | 75.2 | 30% | 0.304 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.4 | -70.1 | 172 | 0 | 0 | 0 | 112 | L23 M27 F54 I173 K174 L175 Q179 A180 V181 | L23-L177 HydrophobicContact CD1-CD2 4.39Å; L23-L177 HydrophobicContact CD2-CD2 4.11Å; L23-L177 HydrophobicContact CG-CD2 4.32Å; M27-L177 HydrophobicContact CB-CD2 4.16Å; M27-L177 HydrophobicContact CG-CD2 3.79Å; F54-L177 HydrophobicContact CE1-CD2 4.06Å; I173-L177 HydrophobicContact CG2-CD1 4.23Å; I173-L177 HydrophobicContact CG2-CG 4.49Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 3.19Å; K174-L177 PolarHBondContact O-N 3.36Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.08Å; L177-Q179 VanDerWaalsContact C-N 3.28Å; L177-Q179 PolarHBondContact O-N 3.12Å; L177-A180 PolarHBondContact O-N 3.32Å; L177-A180 VanDerWaalsContact O-N 3.16Å; L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.05Å |
| 178 | K | 93.6 | Very high | 92.2 | Very high | 137 Ų | 137 | 70.9 Ų | 70.9 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.5 | -42 | 175.2 | -170.6 | -179.4 | -179.9 | -175.4 | 0 | 111.3 | K174 L175 A180 V181 N182 | K174-K178 PolarHBondContact O-N 3.41Å; L175-K178 PolarHBondContact O-N 3.44Å; K178-A180 PolarHBondContact O-N 3.07Å; K178-V181 PolarHBondContact O-N 3.29Å; K178-N182 PolarHBondContact O-N 3.11Å; K178-N182 PolarHBondContact O-OD1 3.35Å |
| 179 | Q | 92.8 | Very high | 91.9 | Very high | 82 Ų | 82 | 66.7 Ų | 66.7 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.6 | -171.8 | 67 | 4 | 0 | 0 | 112 | Y57 L175 A176 L177 N182 A183 | Y57-Q179 HydrophobicContact CE2-CB 4.28Å; L175-Q179 PolarHBondContact O-N 3.18Å; A176-Q179 WeakPolarHBondContact O-CB 3.18Å; A176-Q179 PolarHBondContact O-N 3.34Å; L177-Q179 VanDerWaalsContact C-N 3.28Å; L177-Q179 PolarHBondContact O-N 3.12Å; Q179-N182 PolarHBondContact O-N 2.72Å; Q179-A183 WeakPolarHBondContact O-CB 3.37Å; Q179-A183 PolarHBondContact O-N 3.01Å |
| 180 | A | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M27 A53 F54 A176 L177 K178 A183 R184 L187 | M27-A180 HydrophobicContact CE-CB 3.72Å; M27-A180 HydrophobicContact CG-CB 4.34Å; M27-A180 HydrophobicContact SD-CB 3.67Å; A53-A180 HydrophobicContact CB-CB 4.42Å; A53-A180 WeakPolarHBondContact O-CA 3.17Å; A53-A180 WeakPolarHBondContact O-CB 3.29Å; A53-A180 PolarHBondContact O-N 2.96Å; F54-A180 HydrophobicContact CD1-CB 3.88Å; F54-A180 HydrophobicContact CE1-CB 3.89Å; A176-A180 PolarHBondContact O-N 3.39Å; A176-A180 VanDerWaalsContact O-N 3.09Å; L177-A180 PolarHBondContact O-N 3.32Å; L177-A180 VanDerWaalsContact O-N 3.16Å; K178-A180 PolarHBondContact O-N 3.07Å; A180-A183 CarbonylContact O-C 3.5Å; A180-A183 PolarHBondContact O-N 3.44Å; A180-R184 PolarHBondContact O-N 2.81Å; A180-L187 HydrophobicContact CB-CD1 4.31Å; A180-L187 WeakPolarHBondContact O-CD1 3.26Å |
| 181 | V | 91.1 | Very high | 91.1 | Very high | 73 Ų | 73 | 64 Ų | 64 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L31 L177 K178 A183 R184 | L31-V181 HydrophobicContact CD2-CB 4.2Å; L31-V181 HydrophobicContact CD2-CG1 4.37Å; L31-V181 HydrophobicContact CD2-CG2 3.77Å; L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.47Å; L177-V181 PolarHBondContact O-N 3.05Å; K178-V181 PolarHBondContact O-N 3.29Å; V181-A183 PolarHBondContact O-N 3.01Å; V181-R184 WeakPolarHBondContact O-CB 3.49Å; V181-R184 PolarHBondContact O-N 3.02Å; V181-R184 VanDerWaalsContact O-N 3.17Å |
| 182 | N | 90.4 | Very high | 90.6 | Very high | 111 Ų | 111 | 62.7 Ų | 62.7 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.3 | -30.9 | 178.2 | -67.3 | -9.6 | 0 | 0 | 0 | 112.2 | K178 Q179 R184 | K178-N182 PolarHBondContact O-N 3.11Å; K178-N182 PolarHBondContact O-OD1 3.35Å; Q179-N182 PolarHBondContact O-N 2.72Å; N182-R184 VanDerWaalsContact C-N 3.3Å; N182-R184 PolarHBondContact O-N 3.46Å |
| 183 | A | 88.9 | Confident | 90 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 12.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q179 A180 V181 S185 R186 L187 | Q179-A183 WeakPolarHBondContact O-CB 3.37Å; Q179-A183 PolarHBondContact O-N 3.01Å; A180-A183 CarbonylContact O-C 3.5Å; A180-A183 PolarHBondContact O-N 3.44Å; V181-A183 PolarHBondContact O-N 3.01Å; A183-S185 PolarHBondContact O-N 2.91Å; A183-R186 PolarHBondContact O-N 2.63Å; A183-L187 HydrophobicContact CB-CD1 4Å; A183-L187 HydrophobicContact CB-CG 4.05Å; A183-L187 WeakPolarHBondContact O-CB 3.12Å; A183-L187 VanDerWaalsContact O-CG 3.31Å; A183-L187 WeakPolarHBondContact O-CG 3.28Å; A183-L187 PolarHBondContact O-N 3.11Å |
| 184 | R | 88.3 | Confident | 89.4 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 50% | 0.502 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -50.3 | -49.5 | -171 | 177.9 | -179.8 | -174.9 | -164.1 | 0.9 | 114.6 | L31 A180 V181 N182 L187 S188 | L31-R184 HydrophobicContact CB-CG 4.4Å; L31-R184 HydrophobicContact CD1-CB 4.44Å; L31-R184 PolarHBondContact O-NE 3.36Å; L31-R184 PolarHBondContact O-NH2 3.01Å; A180-R184 PolarHBondContact O-N 2.81Å; V181-R184 WeakPolarHBondContact O-CB 3.49Å; V181-R184 PolarHBondContact O-N 3.02Å; V181-R184 VanDerWaalsContact O-N 3.17Å; N182-R184 VanDerWaalsContact C-N 3.3Å; N182-R184 PolarHBondContact O-N 3.46Å; R184-L187 PolarHBondContact O-N 3.25Å; R184-S188 WeakPolarHBondContact O-CB 3.44Å; R184-S188 PolarHBondContact O-N 2.88Å |
| 185 | S | 87.4 | Confident | 88.8 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 69% | 0.685 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | -177.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | A183 L187 S188 A189 | A183-S185 PolarHBondContact O-N 2.91Å; S185-L187 PolarHBondContact O-N 3.34Å; S185-S188 PolarHBondContact O-N 3.38Å; S185-A189 PolarHBondContact O-N 3.38Å |
| 186 | R | 89.1 | Confident | 87.5 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.9 | -174.2 | -179.7 | 68.3 | 82.9 | 2 | 111.9 | S51 A183 A189 L190 | S51-R186 PolarHBondContact O-NH1 2.93Å; S51-R186 PolarHBondContact O-NH2 3.4Å; A183-R186 PolarHBondContact O-N 2.63Å; R186-A189 PolarHBondContact O-N 2.96Å; R186-L190 VanDerWaalsContact O-CB 3.32Å; R186-L190 WeakPolarHBondContact O-CB 3.16Å; R186-L190 PolarHBondContact O-N 3.44Å |
| 187 | L | 88.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 178.8 | -68.1 | 175.5 | 0 | 0 | 0 | 112.1 | A53 A180 A183 R184 S185 V191 | A53-L187 HydrophobicContact CB-CD1 3.61Å; A53-L187 HydrophobicContact CB-CD2 3.52Å; A53-L187 HydrophobicContact CB-CG 4.22Å; A180-L187 HydrophobicContact CB-CD1 4.31Å; A180-L187 WeakPolarHBondContact O-CD1 3.26Å; A183-L187 HydrophobicContact CB-CD1 4Å; A183-L187 HydrophobicContact CB-CG 4.05Å; A183-L187 WeakPolarHBondContact O-CB 3.12Å; A183-L187 VanDerWaalsContact O-CG 3.31Å; A183-L187 WeakPolarHBondContact O-CG 3.28Å; A183-L187 PolarHBondContact O-N 3.11Å; R184-L187 PolarHBondContact O-N 3.25Å; S185-L187 PolarHBondContact O-N 3.34Å; L187-V191 WeakPolarHBondContact O-CB 3.22Å; L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.2Å; L187-V191 PolarHBondContact O-N 2.87Å |
| 188 | S | 86 | Confident | 83.4 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 26% | 0.259 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.7 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | R184 S185 S192 | R184-S188 WeakPolarHBondContact O-CB 3.44Å; R184-S188 PolarHBondContact O-N 2.88Å; S185-S188 PolarHBondContact O-N 3.38Å; S188-S192 WeakPolarHBondContact O-CB 3.4Å; S188-S192 PolarHBondContact O-N 3.05Å; S188-S192 PolarHBondContact O-OG 2.7Å |
| 189 | A | 87.1 | Confident | 80.8 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 55% | 0.554 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S185 R186 S192 G193 | S185-A189 PolarHBondContact O-N 3.38Å; R186-A189 PolarHBondContact O-N 2.96Å; A189-S192 PolarHBondContact O-N 2.73Å; A189-G193 PolarHBondContact O-N 3.45Å |
| 190 | L | 86.6 | Confident | 78.2 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | -179.6 | -176.6 | 152.3 | 0 | 0 | 0 | 111.8 | R186 S192 G193 M194 | R186-L190 VanDerWaalsContact O-CB 3.32Å; R186-L190 WeakPolarHBondContact O-CB 3.16Å; R186-L190 PolarHBondContact O-N 3.44Å; L190-S192 VanDerWaalsContact C-N 3.35Å; L190-S192 PolarHBondContact O-N 3.18Å; L190-G193 PolarHBondContact O-N 2.97Å; L190-M194 HydrophobicContact CD2-CG 4.43Å; L190-M194 HydrophobicContact CD2-SD 3.42Å; L190-M194 WeakPolarHBondContact CD2-SD 3.34Å; L190-M194 HydrophobicContact CG-SD 4.2Å; L190-M194 WeakPolarHBondContact O-CG 3.31Å; L190-M194 PolarHBondContact O-N 3.03Å |
| 191 | V | 86.3 | Confident | 75.7 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.006 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 111 | F24 Y28 V44 A47 L187 G193 M194 C195 | F24-V191 HydrophobicContact CE1-CG2 4.34Å; F24-V191 HydrophobicContact CZ-CG2 4.01Å; Y28-V191 HydrophobicContact CD1-CG1 4.49Å; Y28-V191 HydrophobicContact CD2-CG2 4.32Å; Y28-V191 HydrophobicContact CE1-CB 4.29Å; Y28-V191 HydrophobicContact CE1-CG1 3.69Å; Y28-V191 HydrophobicContact CE2-CB 3.81Å; Y28-V191 HydrophobicContact CE2-CG1 4.11Å; Y28-V191 HydrophobicContact CE2-CG2 3.81Å; Y28-V191 VanDerWaalsContact CZ-CG1 3.46Å; Y28-V191 WeakPolarHBondContact OH-CB 3.4Å; Y28-V191 WeakPolarHBondContact OH-CG1 3.28Å; V44-V191 HydrophobicContact CG2-CG1 4.08Å; A47-V191 HydrophobicContact CB-CG2 4.06Å; L187-V191 WeakPolarHBondContact O-CB 3.22Å; L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.2Å; L187-V191 PolarHBondContact O-N 2.87Å; V191-G193 VanDerWaalsContact C-N 3.33Å; V191-M194 PolarHBondContact O-N 3.06Å; V191-C195 HydrophobicContact CG1-CB 4.42Å; V191-C195 WeakPolarHBondContact O-CA 3.21Å; V191-C195 VanDerWaalsContact O-CB 3.23Å; V191-C195 WeakPolarHBondContact O-CB 3.39Å; V191-C195 PolarHBondContact O-N 3.34Å |
| 192 | S | 83.6 | Confident | 73.2 | Confident | 49 Ų | 49 | 85.5 Ų | 85.5 | 34% | 0.343 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 173.9 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | S188 A189 L190 G196 | S188-S192 WeakPolarHBondContact O-CB 3.4Å; S188-S192 PolarHBondContact O-N 3.05Å; S188-S192 PolarHBondContact O-OG 2.7Å; A189-S192 PolarHBondContact O-N 2.73Å; L190-S192 VanDerWaalsContact C-N 3.35Å; L190-S192 PolarHBondContact O-N 3.18Å; S192-G196 WeakPolarHBondContact O-CA 3.36Å; S192-G196 PolarHBondContact O-N 2.88Å |
| 193 | G | 83.6 | Confident | 70.9 | Confident | 53 Ų | 53 | 85 Ų | 85 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | A189 L190 V191 | A189-G193 PolarHBondContact O-N 3.45Å; L190-G193 PolarHBondContact O-N 2.97Å; V191-G193 VanDerWaalsContact C-N 3.33Å |
| 194 | M | 82.6 | Confident | 68.8 | Low | 87 Ų | 87 | 96.1 Ų | 96.1 | 43% | 0.429 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.2 | -38.1 | -178.5 | -67.6 | 178.3 | 72.7 | 0 | 0 | 113.4 | A47 L190 V191 | A47-M194 HydrophobicContact CB-CE 4.05Å; A47-M194 HydrophobicContact CB-SD 3.89Å; L190-M194 HydrophobicContact CD2-CG 4.43Å; L190-M194 HydrophobicContact CD2-SD 3.42Å; L190-M194 WeakPolarHBondContact CD2-SD 3.34Å; L190-M194 HydrophobicContact CG-SD 4.2Å; L190-M194 WeakPolarHBondContact O-CG 3.31Å; L190-M194 PolarHBondContact O-N 3.03Å; V191-M194 PolarHBondContact O-N 3.06Å |
| 195 | C | 82.6 | Confident | 66.5 | Low | 16 Ų | 16 | 95.4 Ų | 95.4 | 11% | 0.108 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -108.9 | -5.6 | -172.2 | -58 | 0 | 0 | 0 | 0 | 113.9 | A39 C43 V191 H197 | A39-C195 HydrophobicContact CB-CB 3.64Å; C43-C195 HydrophobicContact CB-CB 3.89Å; C43-C195 WeakPolarHBondContact CB-SG 3.45Å; C43-C195 WeakPolarHBondContact SG-CA 3.39Å; C43-C195 WeakPolarHBondContact SG-CB 3.31Å; C43-C195 CovalentContact SG-SG 2.04Å; C43-C195 PolarHBondContact SG-SG 2.92Å; V191-C195 HydrophobicContact CG1-CB 4.42Å; V191-C195 WeakPolarHBondContact O-CA 3.21Å; V191-C195 VanDerWaalsContact O-CB 3.23Å; V191-C195 WeakPolarHBondContact O-CB 3.39Å; V191-C195 PolarHBondContact O-N 3.34Å; C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.37Å |
| 196 | G | 67.5 | Low | 64.2 | Low | 47 Ų | 47 | 97.6 Ų | 97.6 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | trans | -79.9 | 1.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S192 A198 | S192-G196 WeakPolarHBondContact O-CA 3.36Å; S192-G196 PolarHBondContact O-N 2.88Å; G196-A198 PolarHBondContact O-N 3.29Å; G196-A198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | H | 56.4 | Low | 61.7 | Low | 183 Ų | 183 | 100.8 Ų | 100.8 | 85% | 0.847 | 57% | 0.569 | S | S | * | * | trans | -78.5 | 28.9 | 172.7 | -83.1 | -72.8 | 0 | 0 | 0 | 114 | C195 | C195-H197 VanDerWaalsContact C-N 3.3Å; C195-H197 PolarHBondContact O-N 3.37Å | ||
| 198 | A | 47.2 | Very low | 59.4 | Low | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -87 | 109.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | G196 K200 | G196-A198 PolarHBondContact O-N 3.29Å; G196-A198 VanDerWaalsContact O-N 3.08Å; A198-K200 PolarHBondContact O-N 3.02Å |
| 199 | T | 39.3 | Very low | 57.3 | Low | 137 Ų | 137 | 108.3 Ų | 108.3 | 84% | 0.84 | 62% | 0.624 | S | S | * | * | trans | -39.2 | 116.9 | 173.8 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | R201 | T199-R201 PolarHBondContact O-N 3.01Š| ||
| 200 | K | 38.5 | Very low | 55.1 | Low | 206 Ų | 206 | 111.2 Ų | 111.2 | 90% | 0.896 | 64% | 0.637 | S | S | * | * | trans | -57 | 97.6 | 175.2 | -72.5 | 179.5 | 177.1 | 177.5 | 0 | 109.1 | A198 A202 | A198-K200 PolarHBondContact O-N 3.02Å; K200-A202 PolarHBondContact O-N 3.23Å | ||
| 201 | R | 38.4 | Very low | 52.7 | Low | 229 Ų | 229 | 117.1 Ų | 117.1 | 86% | 0.864 | 67% | 0.668 | S | S | * | * | trans | -78 | 98.8 | 159.6 | -143.1 | 177 | -160.6 | 152.9 | 4 | 106 | T199 S203 | T199-R201 PolarHBondContact O-N 3.01Å; R201-S203 PolarHBondContact O-N 3.2Å | ||
| 202 | A | 40.2 | Very low | 50.4 | Low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -58.8 | 101.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | K200 | K200-A202 PolarHBondContact O-N 3.23Š| ||
| 203 | S | 41.5 | Very low | 48.7 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -110.8 | 108.7 | 166 | -57.7 | 0 | 0 | 0 | 0 | 106.5 | R201 S205 | R201-S203 PolarHBondContact O-N 3.2Å; S203-S205 PolarHBondContact O-N 3.15Å | ||
| 204 | R | 44.2 | Very low | 46.7 | Very low | 248 Ų | 248 | 135.2 Ų | 135.2 | 94% | 0.936 | 74% | 0.742 | S | S | * | * | trans | -62.9 | 126.4 | 169.2 | -71 | 177.8 | 174.2 | 168.3 | -2.4 | 107.5 | ||||
| 205 | S | 41.3 | Very low | 44.7 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -152.3 | 150.6 | 161.9 | -81.7 | 0 | 0 | 0 | 0 | 110.7 | S203 | S203-S205 PolarHBondContact O-N 3.15Š| ||
| 206 | V | 38.1 | Very low | 42.7 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 146.8 | -153.7 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 207 | E | 37.5 | Very low | 41.2 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -50.3 | 132.9 | 172.1 | -158.8 | 82 | -156.1 | 0 | 0 | 112 | ||||
| 208 | A | 38.7 | Very low | 40.7 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -125.1 | 147.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 209 | P | 41.6 | Very low | 40.3 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 159.5 | -162 | -5 | 22.6 | 0 | 0 | 0 | 113.1 | L211 | P209-L211 PolarHBondContact O-N 3.42Š|
| 210 | P | 41.1 | Very low | 40.6 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.6 | -175.9 | 29 | -32.3 | 0 | 0 | 0 | 112.1 | ||
| 211 | L | 36.6 | Very low | 40.6 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 122.4 | 168.9 | -97.7 | 144.5 | 0 | 0 | 0 | 110.3 | P209 | P209-L211 PolarHBondContact O-N 3.42Š|
| 212 | H | 38.5 | Very low | 40.8 | Very low | 184 Ų | 184 | 138 Ų | 138 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 131.5 | 174.8 | -72.8 | -70.3 | 0 | 0 | 0 | 112.7 | ||
| 213 | Q | 46.2 | Very low | 41.1 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 134.3 | 166.1 | -70.1 | 176.4 | -15.5 | 0 | 0 | 109.7 | ||
| 214 | P | 41.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 150.3 | 165.4 | 30.1 | -30.1 | 0 | 0 | 0 | 110.7 | A216 | P214-A216 PolarHBondContact O-N 3.27Š|
| 215 | P | 41.1 | Very low | 41.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132 | 179.5 | 27 | -31.4 | 0 | 0 | 0 | 110.9 | A217 | P215-A217 PolarHBondContact O-N 2.88Š|
| 216 | A | 40.5 | Very low | 41.8 | Very low | 100 Ų | 100 | 135 Ų | 135 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -69.4 | 111.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P214 A218 | P214-A216 PolarHBondContact O-N 3.27Å; A216-A218 PolarHBondContact O-N 3.35Å | ||
| 217 | A | 37.5 | Very low | 42.4 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -60.7 | 121.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P215 A219 | P215-A217 PolarHBondContact O-N 2.88Å; A217-A219 PolarHBondContact O-N 3.22Å | ||
| 218 | A | 44.8 | Very low | 43.2 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 94.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | A216 T220 | A216-A218 PolarHBondContact O-N 3.35Å; A218-T220 VanDerWaalsContact C-N 3.33Å; A218-T220 PolarHBondContact O-N 2.65Å; A218-T220 VanDerWaalsContact O-N 3.15Å | ||
| 219 | A | 39.5 | Very low | 44.1 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -78.5 | 88.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | A217 R221 | A217-A219 PolarHBondContact O-N 3.22Å; A219-R221 VanDerWaalsContact C-N 3.34Å; A219-R221 PolarHBondContact O-N 3.14Å | ||
| 220 | T | 44.7 | Very low | 45.6 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 96.6 | 152.8 | 39.9 | 0 | 0 | 0 | 0 | 106.7 | A218 D222 | A218-T220 VanDerWaalsContact C-N 3.33Å; A218-T220 PolarHBondContact O-N 2.65Å; A218-T220 VanDerWaalsContact O-N 3.15Å; T220-D222 PolarHBondContact O-N 3.12Å | ||
| 221 | R | 39.8 | Very low | 47.7 | Very low | 233 Ų | 233 | 125.7 Ų | 125.7 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -76.3 | 106.5 | 158.2 | -86.5 | -169.2 | 168.9 | -174.1 | -3.6 | 106.8 | A219 T223 | A219-R221 VanDerWaalsContact C-N 3.34Å; A219-R221 PolarHBondContact O-N 3.14Å; R221-T223 PolarHBondContact O-N 3.37Å | ||
| 222 | D | 41.7 | Very low | 50.2 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -48 | 131.8 | 161 | -116.7 | -31 | 0 | 0 | 0 | 108.5 | T220 Q224 | T220-D222 PolarHBondContact O-N 3.12Å; D222-Q224 VanDerWaalsContact C-N 3.33Å; D222-Q224 PolarHBondContact O-N 3.16Å | ||
| 223 | T | 46.9 | Very low | 52.6 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 83% | 0.828 | 67% | 0.671 | S | S | * | * | trans | -75.1 | 98.5 | 171.8 | -41.2 | 0 | 0 | 0 | 0 | 104.2 | R221 | R221-T223 PolarHBondContact O-N 3.37Š| ||
| 224 | Q | 45.4 | Very low | 54.7 | Low | 169 Ų | 169 | 105.1 Ų | 105.1 | 79% | 0.79 | 63% | 0.632 | S | S | * | * | trans | -51.7 | 142.5 | 171.2 | -89.9 | -159.9 | -83.7 | 0 | 0 | 108.6 | D222 S226 | D222-Q224 VanDerWaalsContact C-N 3.33Å; D222-Q224 PolarHBondContact O-N 3.16Å; Q224-S226 VanDerWaalsContact C-N 3.31Å; Q224-S226 PolarHBondContact O-N 3.11Å | ||
| 225 | P | 42.1 | Very low | 57.1 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | trans | -64.2 | 101.8 | 168.6 | -0.7 | 15.4 | 0 | 0 | 0 | 106 | D227 | P225-D227 PolarHBondContact O-N 3.47Š| ||
| 226 | S | 53.7 | Low | 59.6 | Low | 76 Ų | 76 | 98.9 Ų | 98.9 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | trans | -61 | 127.5 | 168.1 | -171.7 | 0 | 0 | 0 | 0 | 106.5 | Q224 S228 T231 | Q224-S226 VanDerWaalsContact C-N 3.31Å; Q224-S226 PolarHBondContact O-N 3.11Å; S226-S228 PolarHBondContact O-N 3.25Å; S226-T231 VanDerWaalsContact OG-CG2 3.31Å; S226-T231 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 227 | D | 50.1 | Low | 62.1 | Low | 107 Ų | 107 | 99.8 Ų | 99.8 | 57% | 0.572 | 57% | 0.566 | S | S | * | * | trans | -53.5 | 128.9 | 172.6 | -160.4 | -5.5 | 0 | 0 | 0 | 107.9 | P225 D229 E230 | P225-D227 PolarHBondContact O-N 3.47Å; D227-D229 PolarHBondContact O-N 3.47Å; D227-E230 PolarHBondContact O-N 2.84Å; D227-E230 VanDerWaalsContact O-N 3.13Å | ||
| 228 | S | 56 | Low | 64.7 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 43% | 0.427 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -19.6 | -166.1 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | S226 T231 G234 | S226-S228 PolarHBondContact O-N 3.25Å; S228-T231 PolarHBondContact O-OG1 2.9Å; S228-G234 WeakPolarHBondContact O-CA 3.28Å |
| 229 | D | 57.6 | Low | 67.1 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -18.7 | -175.9 | -66.5 | -7 | 0 | 0 | 0 | 113 | D227 | D227-D229 PolarHBondContact O-N 3.47Š|
| 230 | E | 72 | Confident | 69.8 | Low | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.9 | 173.3 | -65.9 | -167.9 | 147 | 0 | 0 | 113.5 | D227 | D227-E230 PolarHBondContact O-N 2.84Å; D227-E230 VanDerWaalsContact O-N 3.13Å |
| 231 | T | 85.7 | Confident | 72.2 | Confident | 23 Ų | 23 | 94.7 Ų | 94.7 | 14% | 0.141 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -74.3 | 151 | 178.5 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | S226 S228 A233 G234 L235 | S226-T231 VanDerWaalsContact OG-CG2 3.31Å; S226-T231 WeakPolarHBondContact OG-CG2 3.3Å; S228-T231 PolarHBondContact O-OG1 2.9Å; T231-A233 PolarHBondContact O-N 3.47Å; T231-G234 WeakPolarHBondContact O-CA 3.27Å; T231-G234 PolarHBondContact O-N 3.32Å; T231-G234 PolarHBondContact OG1-N 3.19Å; T231-L235 PolarHBondContact O-N 3.21Å |
| 232 | L | 89.3 | Confident | 74.9 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 41% | 0.408 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -34.2 | 174 | -179.4 | 65.9 | 0 | 0 | 0 | 111.2 | M162 E163 R236 | M162-L232 HydrophobicContact CE-CD2 4.1Å; E163-L232 HydrophobicContact CB-CB 4.42Å; E163-L232 HydrophobicContact CB-CD2 4.48Å; E163-L232 PolarHBondContact OE1-N 3.16Å; E163-L232 WeakPolarHBondContact OE2-CB 3.49Å; E163-L232 PolarHBondContact OE2-N 3.49Å; E163-L232 VanDerWaalsContact OE2-N 3.15Å; L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 PolarHBondContact O-N 2.98Å |
| 233 | A | 89.1 | Confident | 77.5 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 22% | 0.223 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E163 T231 R237 | E163-A233 PolarHBondContact OE2-N 3.4Å; T231-A233 PolarHBondContact O-N 3.47Å; A233-R237 WeakPolarHBondContact O-CB 3.15Å; A233-R237 PolarHBondContact O-N 2.87Å |
| 234 | G | 89.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 80.8 Ų | 80.8 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.7 | -60.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S228 T231 R236 R237 E238 | S228-G234 WeakPolarHBondContact O-CA 3.28Å; T231-G234 WeakPolarHBondContact O-CA 3.27Å; T231-G234 PolarHBondContact O-N 3.32Å; T231-G234 PolarHBondContact OG1-N 3.19Å; G234-R236 VanDerWaalsContact C-N 3.29Å; G234-R236 PolarHBondContact O-N 2.91Å; G234-R237 WeakPolarHBondContact O-CB 3.28Å; G234-R237 PolarHBondContact O-N 2.99Å; G234-E238 PolarHBondContact O-N 3.32Å |
| 235 | L | 92.3 | Very high | 82.1 | Confident | 92 Ų | 92 | 77 Ų | 77 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -55 | -43.2 | 180 | -65 | 175 | 0 | 0 | 0 | 112.3 | T231 R237 F239 | T231-L235 PolarHBondContact O-N 3.21Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 3.34Å; L235-F239 VanDerWaalsContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CB 3.43Å; L235-F239 PolarHBondContact O-N 3.31Å |
| 236 | R | 94 | Very high | 84.6 | Confident | 20 Ų | 20 | 76 Ų | 76 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.2 | 178.5 | 178.1 | 66.4 | -111.6 | 3.8 | 111.8 | F75 A153 M156 D161 L232 G234 I240 | F75-R236 HydrophobicContact CE1-CG 4.25Å; F75-R236 HydrophobicContact CE2-CG 4.14Å; F75-R236 HydrophobicContact CZ-CG 3.72Å; A153-R236 HydrophobicContact CB-CG 4.05Å; A153-R236 PolarHBondContact O-NE 3.2Å; M156-R236 PolarHBondContact O-NH2 2.67Å; D161-R236 IonicContact OD2-CZ 3.16Å; D161-R236 VanDerWaalsContact OD2-CZ 3.23Å; D161-R236 IonicContact OD2-NH1 3.3Å; D161-R236 PolarHBondContact OD2-NH1 2.99Å; D161-R236 IonicContact OD2-NH2 3.91Å; D161-R236 PolarHBondContact OD2-NH2 3.1Å; L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 PolarHBondContact O-N 2.98Å; G234-R236 VanDerWaalsContact C-N 3.29Å; G234-R236 PolarHBondContact O-N 2.91Å; R236-I240 WeakPolarHBondContact O-CB 3.41Å; R236-I240 WeakPolarHBondContact O-CG1 3.38Å; R236-I240 PolarHBondContact O-N 3.49Å |
| 237 | R | 92.4 | Very high | 86.6 | Confident | 118 Ų | 118 | 74.2 Ų | 74.2 | 45% | 0.445 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | -177 | 167.9 | 174 | 38.8 | 177.4 | -6 | 111.5 | A233 G234 L235 I240 T241 | A233-R237 WeakPolarHBondContact O-CB 3.15Å; A233-R237 PolarHBondContact O-N 2.87Å; G234-R237 WeakPolarHBondContact O-CB 3.28Å; G234-R237 PolarHBondContact O-N 2.99Å; L235-R237 VanDerWaalsContact C-N 3.34Å; L235-R237 PolarHBondContact O-N 3.34Å; R237-I240 PolarHBondContact O-N 2.99Å; R237-T241 WeakPolarHBondContact O-CB 3.29Å; R237-T241 PolarHBondContact O-N 3.26Å; R237-T241 PolarHBondContact O-OG1 2.76Å |
| 238 | E | 93.3 | Very high | 88.7 | Confident | 112 Ų | 112 | 71.6 Ų | 71.6 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 175.4 | -169.9 | -164.5 | 160.2 | 0 | 0 | 110.3 | G234 I240 T241 N242 | G234-E238 PolarHBondContact O-N 3.32Å; E238-I240 VanDerWaalsContact C-N 3.32Å; E238-I240 PolarHBondContact O-N 3.41Å; E238-T241 WeakPolarHBondContact O-CA 3.48Å; E238-T241 WeakPolarHBondContact O-CB 3.31Å; E238-T241 PolarHBondContact O-N 2.93Å; E238-N242 PolarHBondContact O-N 3.34Å |
| 239 | F | 94.9 | Very high | 90.5 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.4 | -46.7 | 177.6 | 175.9 | -96 | 0 | 0 | 0 | 112.3 | L79 L235 T241 N242 L243 | L79-F239 HydrophobicContact CD2-CD1 4.2Å; L79-F239 HydrophobicContact CD2-CE1 3.32Å; L79-F239 HydrophobicContact CD2-CZ 3.81Å; L235-F239 VanDerWaalsContact O-CB 3.24Å; L235-F239 WeakPolarHBondContact O-CB 3.43Å; L235-F239 PolarHBondContact O-N 3.31Å; F239-T241 VanDerWaalsContact C-N 3.3Å; F239-T241 PolarHBondContact O-N 3.38Å; F239-N242 PolarHBondContact O-N 2.92Å; F239-L243 HydrophobicContact CE1-CB 4.41Å; F239-L243 HydrophobicContact CE1-CD2 3.93Å; F239-L243 HydrophobicContact CZ-CD2 4.36Å; F239-L243 WeakPolarHBondContact O-CB 3.37Å; F239-L243 PolarHBondContact O-N 3.03Å |
| 240 | I | 95.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -33.7 | 179.4 | -69.8 | -68 | 0 | 0 | 0 | 112.1 | F75 L149 A153 R236 R237 E238 L243 K244 | F75-I240 HydrophobicContact CE2-CD1 4.04Å; F75-I240 HydrophobicContact CE2-CG1 4.39Å; F75-I240 HydrophobicContact CZ-CD1 4.48Å; L149-I240 HydrophobicContact CD2-CD1 4.01Å; L149-I240 HydrophobicContact CG-CD1 3.77Å; A153-I240 HydrophobicContact CB-CD1 4.12Å; A153-I240 HydrophobicContact CB-CG1 3.69Å; R236-I240 WeakPolarHBondContact O-CB 3.41Å; R236-I240 WeakPolarHBondContact O-CG1 3.38Å; R236-I240 PolarHBondContact O-N 3.49Å; R237-I240 PolarHBondContact O-N 2.99Å; E238-I240 VanDerWaalsContact C-N 3.32Å; E238-I240 PolarHBondContact O-N 3.41Å; I240-L243 HydrophobicContact CD1-CD2 4.31Å; I240-L243 PolarHBondContact O-N 3.44Å; I240-K244 WeakPolarHBondContact O-CG 3.48Å; I240-K244 PolarHBondContact O-N 3.49Å; I240-K244 VanDerWaalsContact O-N 3.14Å |
| 241 | T | 95.1 | Very high | 93 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | R237 E238 F239 K244 | R237-T241 WeakPolarHBondContact O-CB 3.29Å; R237-T241 PolarHBondContact O-N 3.26Å; R237-T241 PolarHBondContact O-OG1 2.76Å; E238-T241 WeakPolarHBondContact O-CA 3.48Å; E238-T241 WeakPolarHBondContact O-CB 3.31Å; E238-T241 PolarHBondContact O-N 2.93Å; F239-T241 VanDerWaalsContact C-N 3.3Å; F239-T241 PolarHBondContact O-N 3.38Å; T241-K244 PolarHBondContact O-N 3.35Å |
| 242 | N | 95.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 63.6 Ų | 63.6 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.9 | -68.4 | -20.6 | 0 | 0 | 0 | 111.6 | E238 F239 K244 S245 F246 | E238-N242 PolarHBondContact O-N 3.34Å; F239-N242 PolarHBondContact O-N 2.92Å; N242-K244 VanDerWaalsContact C-N 3.28Å; N242-K244 PolarHBondContact O-N 3.42Å; N242-S245 PolarHBondContact O-N 3.02Å; N242-S245 PolarHBondContact O-OG 3.41Å; N242-F246 WeakPolarHBondContact O-CD2 3.24Å |
| 243 | L | 95.9 | Very high | 93.1 | Very high | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.4 | -32.4 | -179.4 | -174 | 65.8 | 0 | 0 | 0 | 113 | I146 L149 F239 I240 S245 F246 | I146-L243 HydrophobicContact CD1-CD1 4.3Å; I146-L243 HydrophobicContact CD1-CG 4.2Å; I146-L243 HydrophobicContact CG1-CD1 4.47Å; I146-L243 HydrophobicContact CG1-CD2 4.22Å; I146-L243 HydrophobicContact CG1-CG 4.05Å; I146-L243 HydrophobicContact CG2-CG 4.4Å; L149-L243 HydrophobicContact CD2-CD2 3.76Å; F239-L243 HydrophobicContact CE1-CB 4.41Å; F239-L243 HydrophobicContact CE1-CD2 3.93Å; F239-L243 HydrophobicContact CZ-CD2 4.36Å; F239-L243 WeakPolarHBondContact O-CB 3.37Å; F239-L243 PolarHBondContact O-N 3.03Å; I240-L243 HydrophobicContact CD1-CD2 4.31Å; I240-L243 PolarHBondContact O-N 3.44Å; L243-S245 VanDerWaalsContact C-N 3.25Å; L243-S245 PolarHBondContact O-N 2.89Å; L243-F246 WeakPolarHBondContact O-CB 3.37Å; L243-F246 PolarHBondContact O-N 3.05Å |
| 244 | K | 95.5 | Very high | 93 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -31.5 | -179.5 | -80.6 | 173.4 | 179.6 | -178 | 0 | 113.5 | I146 I240 T241 N242 F246 S247 | I146-K244 HydrophobicContact CG2-CG 4.35Å; I240-K244 WeakPolarHBondContact O-CG 3.48Å; I240-K244 PolarHBondContact O-N 3.49Å; I240-K244 VanDerWaalsContact O-N 3.14Å; T241-K244 PolarHBondContact O-N 3.35Å; N242-K244 VanDerWaalsContact C-N 3.28Å; N242-K244 PolarHBondContact O-N 3.42Å; K244-F246 PolarHBondContact O-N 2.88Å; K244-S247 WeakPolarHBondContact O-CB 3.17Å; K244-S247 PolarHBondContact O-N 3.43Å; K244-S247 VanDerWaalsContact O-N 3.09Å; K244-S247 PolarHBondContact O-OG 3.02Å |
| 245 | S | 94.6 | Very high | 92.9 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 63% | 0.629 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.2 | -26.3 | 176.9 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | N242 L243 S247 | N242-S245 PolarHBondContact O-N 3.02Å; N242-S245 PolarHBondContact O-OG 3.41Å; L243-S245 VanDerWaalsContact C-N 3.25Å; L243-S245 PolarHBondContact O-N 2.89Å; S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 3.17Å |
| 246 | F | 94.9 | Very high | 92.7 | Very high | 103 Ų | 103 | 62 Ų | 62 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -86.9 | 7.3 | 177.3 | -60.4 | -82.7 | 0 | 0 | 0 | 113.9 | W142 I146 N242 L243 K244 S248 F249 | W142-F246 PolarHBondContact NE1-O 2.8Å; I146-F246 HydrophobicContact CD1-CB 4.47Å; N242-F246 WeakPolarHBondContact O-CD2 3.24Å; L243-F246 WeakPolarHBondContact O-CB 3.37Å; L243-F246 PolarHBondContact O-N 3.05Å; K244-F246 PolarHBondContact O-N 2.88Å; F246-S248 PolarHBondContact O-N 2.98Å; F246-S248 VanDerWaalsContact O-N 3.16Å; F246-F249 HydrophobicContact CB-CB 4.35Å; F246-F249 HydrophobicContact CD1-CD2 4.03Å; F246-F249 VanDerWaalsContact O-CB 3.23Å; F246-F249 WeakPolarHBondContact O-CB 3.43Å; F246-F249 PolarHBondContact O-N 3.48Å; F246-F249 VanDerWaalsContact O-N 3.09Å |
| 247 | S | 95.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 65 Ų | 65 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58.1 | -29 | -180 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | Q139 K244 S245 | Q139-S247 PolarHBondContact NE2-O 3.4Å; K244-S247 WeakPolarHBondContact O-CB 3.17Å; K244-S247 PolarHBondContact O-N 3.43Å; K244-S247 VanDerWaalsContact O-N 3.09Å; K244-S247 PolarHBondContact O-OG 3.02Å; S245-S247 VanDerWaalsContact C-N 3.31Å; S245-S247 PolarHBondContact O-N 3.17Å |
| 248 | S | 93.7 | Very high | 92 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -111.5 | 19.9 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 113.2 | R143 F246 Y250 S251 G252 | R143-S248 PolarHBondContact NH2-OG 3.32Å; F246-S248 PolarHBondContact O-N 2.98Å; F246-S248 VanDerWaalsContact O-N 3.16Å; S248-Y250 PolarHBondContact O-N 2.88Å; S248-S251 PolarHBondContact O-N 3.16Å; S248-S251 PolarHBondContact O-OG 3.13Å; S248-G252 PolarHBondContact O-N 3.3Å |
| 249 | F | 93.4 | Very high | 91.2 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -50.6 | -58.1 | -174.9 | 177.7 | -102.5 | 0 | 0 | 0 | 113 | F246 S251 G252 L253 | F246-F249 HydrophobicContact CB-CB 4.35Å; F246-F249 HydrophobicContact CD1-CD2 4.03Å; F246-F249 VanDerWaalsContact O-CB 3.23Å; F246-F249 WeakPolarHBondContact O-CB 3.43Å; F246-F249 PolarHBondContact O-N 3.48Å; F246-F249 VanDerWaalsContact O-N 3.09Å; F249-S251 PolarHBondContact O-N 3.26Å; F249-G252 PolarHBondContact O-N 2.91Å; F249-L253 HydrophobicContact CE1-CD1 4.14Å; F249-L253 HydrophobicContact CE1-CD2 4.24Å; F249-L253 HydrophobicContact CE1-CG 4.41Å; F249-L253 HydrophobicContact CE2-CD2 4.17Å; F249-L253 HydrophobicContact CZ-CD2 3.88Å; F249-L253 WeakPolarHBondContact O-CG 3.25Å; F249-L253 PolarHBondContact O-N 3.37Å; F249-L253 VanDerWaalsContact O-N 3.14Å |
| 250 | Y | 91.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | -175.9 | -62.2 | -72.1 | 0 | 0 | 0 | 113.6 | V85 T89 A135 V138 Q139 W142 S248 G252 L253 | V85-Y250 HydrophobicContact CG1-CE2 4.41Å; T89-Y250 HydrophobicContact CG2-CE1 3.82Å; T89-Y250 WeakPolarHBondContact OG1-CE1 3.3Å; T89-Y250 PolarHBondContact OG1-OH 3.49Å; A135-Y250 HydrophobicContact CB-CD1 4.39Å; V138-Y250 HydrophobicContact CG1-CD2 4.25Å; V138-Y250 HydrophobicContact CG1-CE2 4.05Å; Q139-Y250 VanDerWaalsContact OE1-CB 3.3Å; W142-Y250 HydrophobicContact CB-CD2 4.04Å; W142-Y250 HydrophobicContact CB-CE2 4.13Å; W142-Y250 AromaticContact CD1-CD2 3.79Å; W142-Y250 AromaticContact CD1-CE2 3.96Å; W142-Y250 HydrophobicContact CD2-CD2 4.36Å; W142-Y250 AromaticContact CD2-CE2 3.79Å; W142-Y250 HydrophobicContact CD2-CE2 3.79Å; W142-Y250 HydrophobicContact CE3-CE2 4.28Å; W142-Y250 AromaticContact CG-CD2 3.8Å; W142-Y250 HydrophobicContact CG-CD2 3.8Å; W142-Y250 AromaticContact CG-CE2 3.7Å; W142-Y250 HydrophobicContact CG-CE2 3.7Å; S248-Y250 PolarHBondContact O-N 2.88Å; Y250-G252 VanDerWaalsContact C-N 3.32Å; Y250-L253 HydrophobicContact CD1-CD1 4.04Å |
| 251 | S | 89.9 | Confident | 88.2 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69 | -30.5 | 171.3 | 39.8 | 0 | 0 | 0 | 0 | 113.1 | Q139 S248 F249 | Q139-S251 PolarHBondContact OE1-OG 3.21Å; S248-S251 PolarHBondContact O-N 3.16Å; S248-S251 PolarHBondContact O-OG 3.13Å; F249-S251 PolarHBondContact O-N 3.26Å |
| 252 | G | 89.3 | Confident | 86.6 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -82.6 | -16.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S248 F249 Y250 G254 E255 A256 | S248-G252 PolarHBondContact O-N 3.3Å; F249-G252 PolarHBondContact O-N 2.91Å; Y250-G252 VanDerWaalsContact C-N 3.32Å; G252-G254 VanDerWaalsContact C-N 3.34Å; G252-G254 PolarHBondContact O-N 3.15Å; G252-E255 PolarHBondContact O-N 3.19Å; G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 2.77Å |
| 253 | L | 88.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | -177.2 | -75.9 | 172.4 | 0 | 0 | 0 | 112.7 | L132 F249 Y250 E255 A256 L257 | L132-L253 HydrophobicContact CD1-CB 3.77Å; L132-L253 HydrophobicContact CD2-CB 3.9Å; L132-L253 HydrophobicContact CD2-CD1 3.85Å; F249-L253 HydrophobicContact CE1-CD1 4.14Å; F249-L253 HydrophobicContact CE1-CD2 4.24Å; F249-L253 HydrophobicContact CE1-CG 4.41Å; F249-L253 HydrophobicContact CE2-CD2 4.17Å; F249-L253 HydrophobicContact CZ-CD2 3.88Å; F249-L253 WeakPolarHBondContact O-CG 3.25Å; F249-L253 PolarHBondContact O-N 3.37Å; F249-L253 VanDerWaalsContact O-N 3.14Å; Y250-L253 HydrophobicContact CD1-CD1 4.04Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 3.12Å; L253-A256 PolarHBondContact O-N 3.28Å; L253-L257 WeakPolarHBondContact O-CB 3.22Å; L253-L257 VanDerWaalsContact O-CG 3.26Å; L253-L257 WeakPolarHBondContact O-CG 3.3Å; L253-L257 PolarHBondContact O-N 3.13Å |
| 254 | G | 87.4 | Confident | 83 | Confident | 8 Ų | 8 | 67 Ų | 67 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G252 C258 | G252-G254 VanDerWaalsContact C-N 3.34Å; G252-G254 PolarHBondContact O-N 3.15Å; G254-C258 PolarHBondContact O-N 3.06Å; G254-C258 PolarHBondContact O-SG 3.46Å |
| 255 | E | 86.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 175.6 | -173.8 | 61.4 | -160.4 | 0 | 0 | 111.2 | R121 Q125 G252 L253 L257 C258 S259 | R121-E255 IonicContact CZ-OE1 3.69Å; R121-E255 VanDerWaalsContact CZ-OE1 3.3Å; R121-E255 IonicContact NE-OE1 2.97Å; R121-E255 PolarHBondContact NE-OE1 2.75Å; R121-E255 VanDerWaalsContact NE-OE1 3.16Å; R121-E255 IonicContact NE-OE2 3.58Å; R121-E255 IonicContact NH2-OE1 3.61Å; R121-E255 PolarHBondContact NH2-OE1 3.13Å; R121-E255 IonicContact NH2-OE2 3.6Å; Q125-E255 PolarHBondContact NE2-OE2 2.81Å; G252-E255 PolarHBondContact O-N 3.19Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-E255 PolarHBondContact O-N 3.12Å; E255-L257 VanDerWaalsContact C-N 3.26Å; E255-L257 PolarHBondContact O-N 3.47Å; E255-C258 CarbonylContact O-C 3.59Å; E255-C258 PolarHBondContact O-N 3.26Å; E255-S259 PolarHBondContact O-N 3.15Å; E255-S259 PolarHBondContact O-OG 2.71Å; E255-S259 PolarHBondContact OE1-OG 3.01Å |
| 256 | A | 87.6 | Confident | 79.3 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -35 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G252 L253 | G252-A256 WeakPolarHBondContact O-CB 3.39Å; G252-A256 PolarHBondContact O-N 2.77Å; L253-A256 PolarHBondContact O-N 3.28Å |
| 257 | L | 86.1 | Confident | 77.4 | Confident | 82 Ų | 82 | 68.4 Ų | 68.4 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 174.3 | -70.2 | 170.5 | 0 | 0 | 0 | 111.9 | M128 L253 E255 | M128-L257 HydrophobicContact CG-CB 4.25Å; M128-L257 HydrophobicContact SD-CB 4.03Å; M128-L257 HydrophobicContact SD-CD1 3.83Å; L253-L257 WeakPolarHBondContact O-CB 3.22Å; L253-L257 VanDerWaalsContact O-CG 3.26Å; L253-L257 WeakPolarHBondContact O-CG 3.3Å; L253-L257 PolarHBondContact O-N 3.13Å; E255-L257 VanDerWaalsContact C-N 3.26Å; E255-L257 PolarHBondContact O-N 3.47Å |
| 258 | C | 86.1 | Confident | 76.3 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -78.9 | -30 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | C124 G254 E255 R260 E261 | C124-C258 HydrophobicContact CB-CB 3.99Å; C124-C258 WeakPolarHBondContact CB-SG 3.47Å; C124-C258 VanDerWaalsContact SG-CA 3.5Å; C124-C258 WeakPolarHBondContact SG-CB 3.44Å; C124-C258 CovalentContact SG-SG 2.04Å; C124-C258 PolarHBondContact SG-SG 2.83Å; G254-C258 PolarHBondContact O-N 3.06Å; G254-C258 PolarHBondContact O-SG 3.46Å; E255-C258 CarbonylContact O-C 3.59Å; E255-C258 PolarHBondContact O-N 3.26Å; C258-R260 VanDerWaalsContact C-N 3.27Å; C258-R260 PolarHBondContact O-N 3.46Å; C258-E261 WeakPolarHBondContact O-CB 3.38Å; C258-E261 PolarHBondContact O-N 3.48Å |
| 259 | S | 77.2 | Confident | 75.9 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 49% | 0.49 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -13.5 | -179.7 | -53.8 | 0 | 0 | 0 | 0 | 114 | E255 E261 | E255-S259 PolarHBondContact O-N 3.15Å; E255-S259 PolarHBondContact O-OG 2.71Å; E255-S259 PolarHBondContact OE1-OG 3.01Å; S259-E261 PolarHBondContact O-N 3.37Å |
| 260 | R | 63.3 | Low | 75.6 | Confident | 221 Ų | 221 | 67.1 Ų | 67.1 | 83% | 0.834 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9 | 172.8 | -82.3 | -178.4 | 151.3 | 178.1 | -5.6 | 113.2 | C258 | C258-R260 VanDerWaalsContact C-N 3.27Å; C258-R260 PolarHBondContact O-N 3.46Å |
| 261 | E | 64.9 | Low | 75.5 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 29% | 0.29 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -92.8 | 149.7 | -177.3 | -160.8 | 55.5 | -153.3 | 0 | 0 | 111.5 | W106 C258 S259 T263 | W106-E261 HydrophobicContact CH2-CB 4.19Å; W106-E261 HydrophobicContact CH2-CG 3.66Å; W106-E261 WeakPolarHBondContact CH2-OE2 3.3Å; W106-E261 HydrophobicContact CZ3-CG 3.78Å; W106-E261 WeakPolarHBondContact CZ3-OE1 3.23Å; W106-E261 VanDerWaalsContact CZ3-OE2 3.32Å; W106-E261 WeakPolarHBondContact CZ3-OE2 3.41Å; C258-E261 WeakPolarHBondContact O-CB 3.38Å; C258-E261 PolarHBondContact O-N 3.48Å; S259-E261 PolarHBondContact O-N 3.37Å; E261-T263 PolarHBondContact O-N 3.1Å |
| 262 | P | 60.4 | Low | 75.4 | Confident | 94 Ų | 94 | 66.1 Ų | 66.1 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | trans | -58.2 | 101.2 | 166.8 | -19.4 | 32.8 | 0 | 0 | 0 | 109.1 | P118 A264 | P118-P262 WeakPolarHBondContact CB-O 3.27Å; P262-A264 PolarHBondContact O-N 2.87Å | ||
| 263 | T | 57.5 | Low | 75.4 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 128 | 174.3 | 44.1 | 0 | 0 | 0 | 0 | 108.8 | E261 A265 | E261-T263 PolarHBondContact O-N 3.1Å; T263-A265 PolarHBondContact O-N 2.99Å; T263-A265 VanDerWaalsContact O-N 3.14Å |
| 264 | A | 58.4 | Low | 75.4 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -52 | 121.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P118 P262 S268 C270 | P118-A264 HydrophobicContact CB-CB 3.79Å; P118-A264 HydrophobicContact CG-CB 3.52Å; P262-A264 PolarHBondContact O-N 2.87Å; A264-S268 WeakPolarHBondContact CA-OG 3.27Å; A264-S268 WeakPolarHBondContact CB-OG 3.48Å; A264-C270 HydrophobicContact CB-CB 3.95Å |
| 265 | A | 58.3 | Low | 75.4 | Confident | 70 Ų | 70 | 75.7 Ų | 75.7 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 147.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T263 N267 S268 | T263-A265 PolarHBondContact O-N 2.99Å; T263-A265 VanDerWaalsContact O-N 3.14Å; A265-N267 PolarHBondContact O-N 3.07Å; A265-S268 PolarHBondContact N-OG 3.47Å; A265-S268 WeakPolarHBondContact O-CB 3.49Å; A265-S268 PolarHBondContact O-N 3.48Å; A265-S268 PolarHBondContact O-OG 3.47Å |
| 266 | N | 53.8 | Low | 75.4 | Confident | 151 Ų | 151 | 75.9 Ų | 75.9 | 81% | 0.807 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 111.3 | 175.4 | -63.7 | -26.4 | 0 | 0 | 0 | 108.3 | ||
| 267 | N | 55.3 | Low | 75.3 | Confident | 116 Ų | 116 | 74.6 Ų | 74.6 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | 7.8 | -170.6 | -53.6 | -22.9 | 0 | 0 | 0 | 116.9 | A265 S279 R280 | A265-N267 PolarHBondContact O-N 3.07Å; N267-S279 PolarHBondContact N-OG 3.18Å; N267-R280 PolarHBondContact OD1-NH1 3.44Å |
| 268 | S | 72.5 | Confident | 75 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 25% | 0.252 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -98.4 | 155.4 | 169.6 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | A264 A265 S279 | A264-S268 WeakPolarHBondContact CA-OG 3.27Å; A264-S268 WeakPolarHBondContact CB-OG 3.48Å; A265-S268 PolarHBondContact N-OG 3.47Å; A265-S268 WeakPolarHBondContact O-CB 3.49Å; A265-S268 PolarHBondContact O-N 3.48Å; A265-S268 PolarHBondContact O-OG 3.47Å; S268-S279 VanDerWaalsContact O-CB 3.3Å; S268-S279 WeakPolarHBondContact O-CB 3.38Å; S268-S279 PolarHBondContact O-N 3.47Å; S268-S279 PolarHBondContact O-OG 2.83Å; S268-S279 VanDerWaalsContact O-OG 3.13Å |
| 269 | L | 84.9 | Confident | 74.4 | Confident | 104 Ų | 104 | 73.4 Ų | 73.4 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 141.2 | 172.3 | -74 | 167.9 | 0 | 0 | 0 | 109.2 | M276 T277 | L269-M276 HydrophobicContact CB-CE 4.02Å; L269-M276 HydrophobicContact CB-CG 3.59Å; L269-M276 HydrophobicContact CG-CG 4.45Å; L269-M276 WeakPolarHBondContact O-CE 3.46Å; L269-T277 CarbonylContact C-O 3.55Å; L269-T277 WeakPolarHBondContact CA-O 3.49Å |
| 270 | C | 87.9 | Confident | 73.8 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 157.1 | 178.5 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | P118 C120 A264 M276 T277 | P118-C270 CarbonylContact O-C 3.51Å; P118-C270 VanDerWaalsContact O-CA 3.28Å; P118-C270 WeakPolarHBondContact O-CA 3.5Å; P118-C270 WeakPolarHBondContact O-CB 3.01Å; C120-C270 WeakPolarHBondContact CA-SG 3.48Å; C120-C270 HydrophobicContact CB-CB 3.98Å; C120-C270 WeakPolarHBondContact CB-SG 3.24Å; C120-C270 WeakPolarHBondContact SG-CB 3.37Å; C120-C270 PolarHBondContact SG-O 3.31Å; C120-C270 CovalentContact SG-SG 2.04Å; C120-C270 PolarHBondContact SG-SG 3.47Å; A264-C270 HydrophobicContact CB-CB 3.95Å; C270-M276 CarbonylContact O-C 3.58Å; C270-M276 WeakPolarHBondContact O-CA 3.22Å; C270-T277 PolarHBondContact N-O 2.87Å; C270-T277 PolarHBondContact O-N 3.49Å |
| 271 | W | 89.4 | Confident | 73.8 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 0% | 0.004 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122 | 179.2 | 172.9 | -112.5 | 0 | 0 | 0 | 111.8 | R104 C108 P109 Q112 M114 P117 P118 C120 F123 G273 Q274 M276 | R104-W271 PolarHBondContact O-NE1 2.85Å; C108-W271 HydrophobicContact CB-CZ2 4.01Å; P109-W271 HydrophobicContact CG-CD2 3.68Å; P109-W271 HydrophobicContact CG-CE3 4.33Å; P109-W271 HydrophobicContact CG-CG 3.75Å; P109-W271 HydrophobicContact CG-CZ2 4.14Å; Q112-W271 VanDerWaalsContact OE1-CZ3 3.27Å; M114-W271 HydrophobicContact CE-CD2 4.46Å; M114-W271 HydrophobicContact CE-CE3 3.51Å; M114-W271 HydrophobicContact CE-CH2 4.01Å; M114-W271 HydrophobicContact CE-CZ3 3.24Å; M114-W271 HydrophobicContact SD-CE3 4.39Å; M114-W271 HydrophobicContact SD-CZ3 4.48Å; P117-W271 HydrophobicContact CB-CB 4.47Å; P117-W271 HydrophobicContact CG-CB 4.25Å; P118-W271 PolarHBondContact O-N 2.86Å; C120-W271 WeakPolarHBondContact CB-O 3.39Å; C120-W271 PolarHBondContact N-O 3.19Å; C120-W271 PolarHBondContact SG-O 3Å; F123-W271 AromaticContact CE1-NE1 3.97Å; W271-G273 VanDerWaalsContact CE2-CA 3.4Å; W271-G273 VanDerWaalsContact CZ2-O 3.32Å; W271-G273 WeakPolarHBondContact CZ2-O 3.42Å; W271-Q274 WeakPolarHBondContact CH2-O 3.3Å; W271-Q274 VanDerWaalsContact CZ3-O 3.3Å; W271-Q274 WeakPolarHBondContact CZ3-O 3.41Å; W271-M276 HydrophobicContact CB-SD 4.3Å |
| 272 | N | 88.3 | Confident | 73.3 | Confident | 50 Ų | 50 | 72.1 Ų | 72.1 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | trans | -100.8 | 4.7 | -179.7 | 72.3 | 3.8 | 0 | 0 | 0 | 114.5 | F123 Q274 E275 T277 | F123-N272 VanDerWaalsContact CD1-C 3.45Å; F123-N272 WeakPolarHBondContact CD2-O 3.48Å; F123-N272 WeakPolarHBondContact CG-O 2.96Å; N272-Q274 PolarHBondContact OD1-N 3.13Å; N272-E275 PolarHBondContact N-O 3.42Å; N272-E275 VanDerWaalsContact N-O 3.15Å; N272-E275 PolarHBondContact OD1-N 3.39Å; N272-E275 PolarHBondContact OD1-O 3Å; N272-T277 HydrophobicContact CB-CG2 3.83Å | ||
| 273 | G | 88.3 | Confident | 73.1 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 101.9 | -10.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F123 W271 | F123-G273 VanDerWaalsContact CZ-CA 3.44Å; W271-G273 VanDerWaalsContact CE2-CA 3.4Å; W271-G273 VanDerWaalsContact CZ2-O 3.32Å; W271-G273 WeakPolarHBondContact CZ2-O 3.42Å |
| 274 | Q | 88.6 | Confident | 72.7 | Confident | 150 Ų | 150 | 69.9 Ų | 69.9 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -133.3 | -43.4 | 178.1 | -174 | 170.2 | 13.4 | 0 | 0 | 112.4 | W271 N272 | W271-Q274 WeakPolarHBondContact CH2-O 3.3Å; W271-Q274 VanDerWaalsContact CZ3-O 3.3Å; W271-Q274 WeakPolarHBondContact CZ3-O 3.41Å; N272-Q274 PolarHBondContact OD1-N 3.13Å |
| 275 | E | 87.3 | Confident | 71.9 | Confident | 118 Ų | 118 | 73.1 Ų | 73.1 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -147.9 | 177.3 | -179 | 67.6 | -179.7 | 171.3 | 0 | 0 | 111.6 | N272 | N272-E275 PolarHBondContact N-O 3.42Å; N272-E275 VanDerWaalsContact N-O 3.15Å; N272-E275 PolarHBondContact OD1-N 3.39Å; N272-E275 PolarHBondContact OD1-O 3Å |
| 276 | M | 86.9 | Confident | 71.2 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 30% | 0.296 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.7 | 173.2 | -150.1 | 75.7 | 167.4 | 0 | 0 | 109.9 | P117 P118 L269 C270 W271 | P117-M276 HydrophobicContact CB-CE 3.37Å; P117-M276 HydrophobicContact CB-SD 3.58Å; P117-M276 VanDerWaalsContact CB-SD 3.58Å; P117-M276 HydrophobicContact CG-SD 4.37Å; P118-M276 HydrophobicContact CG-CE 4.46Å; L269-M276 HydrophobicContact CB-CE 4.02Å; L269-M276 HydrophobicContact CB-CG 3.59Å; L269-M276 HydrophobicContact CG-CG 4.45Å; L269-M276 WeakPolarHBondContact O-CE 3.46Å; C270-M276 CarbonylContact O-C 3.58Å; C270-M276 WeakPolarHBondContact O-CA 3.22Å; W271-M276 HydrophobicContact CB-SD 4.3Å |
| 277 | T | 85.9 | Confident | 70.6 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.3 | -177.2 | -164 | 0 | 0 | 0 | 0 | 111.3 | L269 C270 N272 S279 A282 | L269-T277 CarbonylContact C-O 3.55Å; L269-T277 WeakPolarHBondContact CA-O 3.49Å; C270-T277 PolarHBondContact N-O 2.87Å; C270-T277 PolarHBondContact O-N 3.49Å; N272-T277 HydrophobicContact CB-CG2 3.83Å; T277-S279 PolarHBondContact O-N 3.31Å; T277-A282 HydrophobicContact CG2-CB 3.82Å |
| 278 | D | 80.9 | Confident | 69.7 | Low | 34 Ų | 34 | 85.9 Ų | 85.9 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.9 | 175 | 175.3 | -12.3 | 0 | 0 | 0 | 109.4 | R280 F281 A282 | D278-R280 PolarHBondContact O-N 2.88Å; D278-R280 WeakPolarHBondContact OD1-CB 3.32Å; D278-R280 PolarHBondContact OD1-N 3.4Å; D278-R280 IonicContact OD1-NE 3.21Å; D278-R280 PolarHBondContact OD1-NE 2.91Å; D278-R280 IonicContact OD2-CZ 2.87Å; D278-R280 IonicContact OD2-NE 2.63Å; D278-R280 PolarHBondContact OD2-NE 3.46Å; D278-R280 VanDerWaalsContact OD2-NE 3.08Å; D278-R280 IonicContact OD2-NH2 3.23Å; D278-R280 PolarHBondContact OD2-NH2 2.71Å; D278-F281 HydrophobicContact CB-CD2 3.97Å; D278-F281 PolarHBondContact O-N 2.93Å; D278-A282 PolarHBondContact O-N 3.14Å |
| 279 | S | 71.8 | Confident | 67.9 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | -27.6 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | N267 S268 T277 | N267-S279 PolarHBondContact N-OG 3.18Å; S268-S279 VanDerWaalsContact O-CB 3.3Å; S268-S279 WeakPolarHBondContact O-CB 3.38Å; S268-S279 PolarHBondContact O-N 3.47Å; S268-S279 PolarHBondContact O-OG 2.83Å; S268-S279 VanDerWaalsContact O-OG 3.13Å; T277-S279 PolarHBondContact O-N 3.31Å |
| 280 | R | 66.4 | Low | 65.3 | Low | 165 Ų | 165 | 95 Ų | 95 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -28.2 | 177.5 | -66 | -179.8 | -69.6 | -158.4 | 3.9 | 114.1 | N267 D278 | N267-R280 PolarHBondContact OD1-NH1 3.44Å; D278-R280 PolarHBondContact O-N 2.88Å; D278-R280 WeakPolarHBondContact OD1-CB 3.32Å; D278-R280 PolarHBondContact OD1-N 3.4Å; D278-R280 IonicContact OD1-NE 3.21Å; D278-R280 PolarHBondContact OD1-NE 2.91Å; D278-R280 IonicContact OD2-CZ 2.87Å; D278-R280 IonicContact OD2-NE 2.63Å; D278-R280 PolarHBondContact OD2-NE 3.46Å; D278-R280 VanDerWaalsContact OD2-NE 3.08Å; D278-R280 IonicContact OD2-NH2 3.23Å; D278-R280 PolarHBondContact OD2-NH2 2.71Å |
| 281 | F | 62.2 | Low | 62.6 | Low | 146 Ų | 146 | 100.4 Ų | 100.4 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -11.6 | 179.1 | -61.9 | -80.1 | 0 | 0 | 0 | 112.6 | D278 G283 S285 | D278-F281 HydrophobicContact CB-CD2 3.97Å; D278-F281 PolarHBondContact O-N 2.93Å; F281-G283 PolarHBondContact O-N 3.49Å; F281-S285 PolarHBondContact O-OG 2.94Å |
| 282 | A | 55.3 | Low | 59.9 | Low | 15 Ų | 15 | 105 Ų | 105 | 12% | 0.124 | 55% | 0.546 | C | S | . | . | trans | -79.5 | 22 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C120 T277 D278 | C120-A282 HydrophobicContact CB-CB 3.69Å; C120-A282 WeakPolarHBondContact SG-CB 3.41Å; T277-A282 HydrophobicContact CG2-CB 3.82Å; D278-A282 PolarHBondContact O-N 3.14Å | ||
| 283 | G | 55.4 | Low | 57.3 | Low | 39 Ų | 39 | 106.4 Ų | 106.4 | 40% | 0.402 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -63.1 | 169.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F281 S285 | F281-G283 PolarHBondContact O-N 3.49Å; G283-S285 PolarHBondContact O-N 2.86Å; G283-S285 PolarHBondContact O-OG 3.29Å; G283-S285 VanDerWaalsContact O-OG 3.1Å |
| 284 | P | 48.3 | Very low | 54.6 | Low | 111 Ų | 111 | 113.5 Ų | 113.5 | 72% | 0.721 | 59% | 0.593 | S | S | * | * | trans | -62.3 | 86.3 | -178.8 | 26.1 | -32.3 | 0 | 0 | 0 | 110 | Q286 | P284-Q286 PolarHBondContact O-N 2.8Š| ||
| 285 | S | 41.8 | Very low | 51.9 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | trans | -72.7 | 101.1 | 178.8 | -36.2 | 0 | 0 | 0 | 0 | 106.3 | F281 G283 K287 | F281-S285 PolarHBondContact O-OG 2.94Å; G283-S285 PolarHBondContact O-N 2.86Å; G283-S285 PolarHBondContact O-OG 3.29Å; G283-S285 VanDerWaalsContact O-OG 3.1Å; S285-K287 PolarHBondContact O-N 2.93Å | ||
| 286 | Q | 45.1 | Very low | 49.5 | Very low | 197 Ų | 197 | 113.1 Ų | 113.1 | 92% | 0.921 | 60% | 0.596 | S | S | * | * | trans | -64.6 | 30.1 | 169.3 | -72.5 | 177.4 | -49.3 | 0 | 0 | 113 | P284 | P284-Q286 PolarHBondContact O-N 2.8Š| ||
| 287 | K | 39.8 | Very low | 47.2 | Very low | 182 Ų | 182 | 112.9 Ų | 112.9 | 79% | 0.791 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -113.8 | 98.5 | -177.7 | -71.5 | -170.1 | 179.2 | 179 | 0 | 110.7 | S285 | S285-K287 PolarHBondContact O-N 2.93Š|
| 288 | R | 37.7 | Very low | 45.2 | Very low | 226 Ų | 226 | 118.9 Ų | 118.9 | 85% | 0.853 | 63% | 0.631 | S | S | * | * | trans | 63.7 | 69.3 | 156.7 | -79.1 | -174.5 | -94.6 | -131.5 | -2.1 | 116.4 | ||||
| 289 | L | 33.6 | Very low | 43.8 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 90% | 0.895 | 65% | 0.654 | S | S | * | * | -78.9 | 130.3 | 122.9 | -126.4 | 73.6 | 0 | 0 | 0 | 106.3 | |||||
| 290 | H | 30.8 | Very low | 43.1 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.745 | 68% | 0.682 | S | S | * | * | trans | -47.9 | 146 | 170 | -76.7 | -87.7 | 0 | 0 | 0 | 110.4 | A292 | H290-A292 PolarHBondContact O-N 3.3Š| ||
| 291 | P | 31.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | trans | -72.2 | 76.1 | -178.4 | 31.3 | -33.4 | 0 | 0 | 0 | 109.7 | S293 | P291-S293 PolarHBondContact O-N 3.13Å; P291-S293 VanDerWaalsContact O-N 3.1Å | ||
| 292 | A | 32.8 | Very low | 43.7 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -77.8 | 86.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | H290 | H290-A292 PolarHBondContact O-N 3.3Š|
| 293 | S | 32.6 | Very low | 45 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | trans | 72.3 | 96.1 | 174.5 | -166.5 | 0 | 0 | 0 | 0 | 115.1 | P291 S295 | P291-S293 PolarHBondContact O-N 3.13Å; P291-S293 VanDerWaalsContact O-N 3.1Å; S293-S295 PolarHBondContact O-N 2.89Å; S293-S295 WeakPolarHBondContact OG-CB 3.39Å; S293-S295 PolarHBondContact OG-N 3.4Å; S293-S295 PolarHBondContact OG-OG 3.34Å | ||
| 294 | D | 31.6 | Very low | 46.6 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | trans | -54.7 | 78.3 | 130.9 | -103.2 | -36.5 | 0 | 0 | 0 | 107.9 | ||||
| 295 | S | 32.6 | Very low | 48.5 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | trans | -112.8 | 109.6 | 145.6 | 54.1 | 0 | 0 | 0 | 0 | 103.3 | S293 S297 | S293-S295 PolarHBondContact O-N 2.89Å; S293-S295 WeakPolarHBondContact OG-CB 3.39Å; S293-S295 PolarHBondContact OG-N 3.4Å; S293-S295 PolarHBondContact OG-OG 3.34Å; S295-S297 PolarHBondContact O-N 3.39Å | ||
| 296 | K | 37.5 | Very low | 50.8 | Low | 197 Ų | 197 | 120.9 Ų | 120.9 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | -47 | 91.5 | 127.5 | -86.2 | 178.8 | 176.7 | 173.8 | 0 | 103.9 | N298 | K296-N298 PolarHBondContact O-N 3.06Š| |||
| 297 | S | 38.4 | Very low | 53.1 | Low | 56 Ų | 56 | 116.6 Ų | 116.6 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | trans | -69.2 | 90.2 | -174.3 | 153.4 | 0 | 0 | 0 | 0 | 103.2 | S295 K299 | S295-S297 PolarHBondContact O-N 3.39Å; S297-K299 PolarHBondContact O-N 3.38Å; S297-K299 WeakPolarHBondContact OG-CB 3.29Å; S297-K299 WeakPolarHBondContact OG-CD 3.23Å; S297-K299 WeakPolarHBondContact OG-CG 3.49Å; S297-K299 PolarHBondContact OG-N 3.46Å | ||
| 298 | N | 42.3 | Very low | 55.6 | Low | 156 Ų | 156 | 108 Ų | 108 | 83% | 0.834 | 57% | 0.573 | S | S | * | * | trans | -58.9 | 35.9 | 151.1 | -73.1 | -17.5 | 0 | 0 | 0 | 109.3 | K296 Q300 | K296-N298 PolarHBondContact O-N 3.06Å; N298-Q300 VanDerWaalsContact C-N 3.29Å; N298-Q300 PolarHBondContact O-N 3.12Å | ||
| 299 | K | 52.9 | Low | 58.3 | Low | 152 Ų | 152 | 97.8 Ų | 97.8 | 66% | 0.661 | 54% | 0.535 | S | S | * | . | trans | -61.4 | 108 | 156.7 | -80.3 | 174.4 | -169.4 | -179.8 | 0 | 102.6 | S297 | S297-K299 PolarHBondContact O-N 3.38Å; S297-K299 WeakPolarHBondContact OG-CB 3.29Å; S297-K299 WeakPolarHBondContact OG-CD 3.23Å; S297-K299 WeakPolarHBondContact OG-CG 3.49Å; S297-K299 PolarHBondContact OG-N 3.46Å | ||
| 300 | Q | 56.8 | Low | 61.3 | Low | 174 Ų | 174 | 93.9 Ų | 93.9 | 81% | 0.813 | 52% | 0.515 | S | S | * | . | trans | -50.4 | 136.4 | 170.5 | -79.9 | -155.7 | -27.1 | 0 | 0 | 107.6 | N298 E302 | N298-Q300 VanDerWaalsContact C-N 3.29Å; N298-Q300 PolarHBondContact O-N 3.12Å; Q300-E302 PolarHBondContact O-N 3.05Å | ||
| 301 | P | 65.4 | Low | 64.5 | Low | 33 Ų | 33 | 88.2 Ų | 88.2 | 21% | 0.214 | 49% | 0.488 | C | S | . | . | trans | -54.6 | 146.2 | 175.2 | -17.3 | 30.6 | 0 | 0 | 0 | 107.3 | E137 I305 S306 | E137-P301 WeakPolarHBondContact OE2-CG 3.36Å; P301-I305 HydrophobicContact CB-CB 4.22Å; P301-I305 HydrophobicContact CB-CG2 4.07Å; P301-S306 WeakPolarHBondContact CB-OG 3.48Å; P301-S306 PolarHBondContact O-OG 3.04Å | ||
| 302 | E | 75.5 | Confident | 67.6 | Low | 104 Ų | 104 | 82.7 Ų | 82.7 | 49% | 0.486 | 45% | 0.453 | S | S | . | . | trans | -43.7 | 138.2 | 176.1 | -75.1 | -173.7 | 165.6 | 0 | 0 | 109.6 | Q300 V304 I305 S306 | Q300-E302 PolarHBondContact O-N 3.05Å; E302-V304 CarbonylContact O-C 3.55Å; E302-V304 PolarHBondContact O-N 3.39Å; E302-I305 HydrophobicContact CB-CD1 4.3Å; E302-I305 HydrophobicContact CB-CG1 4.27Å; E302-I305 WeakPolarHBondContact O-CA 3.41Å; E302-I305 WeakPolarHBondContact O-CB 3.42Å; E302-I305 PolarHBondContact O-N 3.38Å; E302-S306 PolarHBondContact O-N 2.93Å; E302-S306 VanDerWaalsContact O-N 3.07Å | ||
| 303 | P | 83.3 | Confident | 70.7 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 71% | 0.714 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -54.3 | -30.4 | -170 | 19.2 | -32.3 | 0 | 0 | 0 | 112.4 | Q307 | P303-Q307 WeakPolarHBondContact O-CB 3.46Å; P303-Q307 PolarHBondContact O-N 3.16Å |
| 304 | V | 87.6 | Confident | 73.8 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | T88 E302 Q307 I308 | T88-V304 HydrophobicContact CG2-CG1 3.27Å; E302-V304 CarbonylContact O-C 3.55Å; E302-V304 PolarHBondContact O-N 3.39Å; V304-Q307 WeakPolarHBondContact O-CB 3.48Å; V304-Q307 PolarHBondContact O-N 2.97Å; V304-I308 HydrophobicContact CG1-CD1 4.38Å; V304-I308 WeakPolarHBondContact O-CG1 3.33Å; V304-I308 PolarHBondContact O-N 3.23Å; V304-I308 VanDerWaalsContact O-N 3.08Å |
| 305 | I | 88.3 | Confident | 76.9 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 179.5 | -62.3 | -178.3 | 0 | 0 | 0 | 110.4 | L92 G134 V138 P301 E302 Q307 I308 I309 | L92-I305 HydrophobicContact CD1-CD1 3.88Å; L92-I305 HydrophobicContact CD1-CG1 4.18Å; L92-I305 HydrophobicContact CD2-CD1 4.11Å; L92-I305 HydrophobicContact CD2-CG1 4Å; G134-I305 VanDerWaalsContact CA-CD1 3.46Å; G134-I305 VanDerWaalsContact O-CG2 3.32Å; G134-I305 WeakPolarHBondContact O-CG2 3.36Å; V138-I305 HydrophobicContact CG2-CG2 4.01Å; P301-I305 HydrophobicContact CB-CB 4.22Å; P301-I305 HydrophobicContact CB-CG2 4.07Å; E302-I305 HydrophobicContact CB-CD1 4.3Å; E302-I305 HydrophobicContact CB-CG1 4.27Å; E302-I305 WeakPolarHBondContact O-CA 3.41Å; E302-I305 WeakPolarHBondContact O-CB 3.42Å; E302-I305 PolarHBondContact O-N 3.38Å; I305-Q307 VanDerWaalsContact C-N 3.27Å; I305-Q307 PolarHBondContact O-N 2.97Å; I305-I308 PolarHBondContact O-N 3.41Å; I305-I309 HydrophobicContact CG2-CD1 3.84Å; I305-I309 HydrophobicContact CG2-CG1 4.41Å; I305-I309 WeakPolarHBondContact O-CB 3.37Å; I305-I309 WeakPolarHBondContact O-CG1 3.29Å; I305-I309 PolarHBondContact O-N 2.93Å |
| 306 | S | 90.3 | Very high | 80 | Confident | 31 Ų | 31 | 73.5 Ų | 73.5 | 22% | 0.217 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.2 | -43.4 | 174.6 | -65.4 | 0 | 0 | 0 | 0 | 111.5 | P301 E302 I309 D310 | P301-S306 WeakPolarHBondContact CB-OG 3.48Å; P301-S306 PolarHBondContact O-OG 3.04Å; E302-S306 PolarHBondContact O-N 2.93Å; E302-S306 VanDerWaalsContact O-N 3.07Å; S306-I309 PolarHBondContact O-N 3.43Å; S306-D310 PolarHBondContact O-N 3.27Å |
| 307 | Q | 92.8 | Very high | 82.8 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.5 | -172.3 | -179.7 | 28.1 | 0 | 0 | 112.7 | P303 V304 I305 D310 K311 | P303-Q307 WeakPolarHBondContact O-CB 3.46Å; P303-Q307 PolarHBondContact O-N 3.16Å; V304-Q307 WeakPolarHBondContact O-CB 3.48Å; V304-Q307 PolarHBondContact O-N 2.97Å; I305-Q307 VanDerWaalsContact C-N 3.27Å; I305-Q307 PolarHBondContact O-N 2.97Å; Q307-D310 PolarHBondContact O-N 3.46Å; Q307-K311 WeakPolarHBondContact O-CG 3.4Å; Q307-K311 PolarHBondContact O-N 3.03Å |
| 308 | I | 93.8 | Very high | 85.6 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.1 | -63.9 | 164.7 | 0 | 0 | 0 | 110.6 | V85 T88 T89 V304 I305 D310 K311 L312 | V85-I308 HydrophobicContact CB-CG2 4.07Å; V85-I308 HydrophobicContact CG1-CG2 3.91Å; V85-I308 HydrophobicContact CG2-CG2 3.57Å; T88-I308 HydrophobicContact CG2-CD1 3.49Å; T88-I308 VanDerWaalsContact CG2-CD1 3.49Å; T88-I308 HydrophobicContact CG2-CG1 4.3Å; T89-I308 HydrophobicContact CG2-CD1 4.48Å; V304-I308 HydrophobicContact CG1-CD1 4.38Å; V304-I308 WeakPolarHBondContact O-CG1 3.33Å; V304-I308 PolarHBondContact O-N 3.23Å; V304-I308 VanDerWaalsContact O-N 3.08Å; I305-I308 PolarHBondContact O-N 3.41Å; I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.79Å; I308-K311 PolarHBondContact O-N 3.36Å; I308-L312 HydrophobicContact CG2-CD1 4.02Å; I308-L312 HydrophobicContact CG2-CG 4.4Å; I308-L312 WeakPolarHBondContact O-CB 3.26Å; I308-L312 WeakPolarHBondContact O-CG 3.33Å; I308-L312 PolarHBondContact O-N 2.64Å |
| 309 | I | 94.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 177.4 | -75 | 172.7 | 0 | 0 | 0 | 110.4 | E137 V138 H141 I305 S306 L312 K313 | E137-I309 HydrophobicContact CB-CD1 3.94Å; V138-I309 HydrophobicContact CG2-CG1 4.15Å; H141-I309 VanDerWaalsContact CD2-CG2 3.49Å; H141-I309 WeakPolarHBondContact CD2-CG2 3.35Å; I305-I309 HydrophobicContact CG2-CD1 3.84Å; I305-I309 HydrophobicContact CG2-CG1 4.41Å; I305-I309 WeakPolarHBondContact O-CB 3.37Å; I305-I309 WeakPolarHBondContact O-CG1 3.29Å; I305-I309 PolarHBondContact O-N 2.93Å; S306-I309 PolarHBondContact O-N 3.43Å; I309-L312 WeakPolarHBondContact O-CB 3.07Å; I309-L312 PolarHBondContact O-N 2.92Å; I309-K313 HydrophobicContact CG2-CD 4.18Å; I309-K313 VanDerWaalsContact CG2-CE 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.49Å; I309-K313 PolarHBondContact O-N 3.43Å |
| 310 | D | 95.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 57.9 Ų | 57.9 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 179.3 | -72.7 | -18.1 | 0 | 0 | 0 | 112.5 | S306 Q307 I308 L312 K313 H314 | S306-D310 PolarHBondContact O-N 3.27Å; Q307-D310 PolarHBondContact O-N 3.46Å; I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.79Å; D310-L312 VanDerWaalsContact C-N 3.35Å; D310-K313 PolarHBondContact O-N 2.84Å; D310-K313 IonicContact OD1-NZ 3.69Å; D310-K313 PolarHBondContact OD1-NZ 2.92Å; D310-H314 WeakPolarHBondContact O-CB 3.36Å; D310-H314 PolarHBondContact O-N 3.13Å |
| 311 | K | 97.2 | Very high | 91.7 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 170.9 | -71.8 | 178.3 | 175.3 | -169.5 | 0 | 111.7 | L81 E84 Q307 I308 H314 I315 | L81-K311 HydrophobicContact CD1-CB 3.64Å; L81-K311 HydrophobicContact CD1-CD 3.89Å; L81-K311 HydrophobicContact CD1-CG 4.34Å; L81-K311 HydrophobicContact CD2-CB 4.1Å; L81-K311 WeakPolarHBondContact CD2-O 2.97Å; E84-K311 IonicContact OE1-NZ 2.73Å; E84-K311 PolarHBondContact OE1-NZ 2.92Å; E84-K311 IonicContact OE2-NZ 2.69Å; E84-K311 PolarHBondContact OE2-NZ 2.04Å; Q307-K311 WeakPolarHBondContact O-CG 3.4Å; Q307-K311 PolarHBondContact O-N 3.03Å; I308-K311 PolarHBondContact O-N 3.36Å; K311-H314 PolarHBondContact O-N 2.75Å; K311-I315 PolarHBondContact O-N 3.44Å |
| 312 | L | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.3 | -77.3 | 168.7 | 0 | 0 | 0 | 111.6 | L81 V85 V138 H141 Y145 I308 I309 D310 H314 I315 N316 | L81-L312 HydrophobicContact CD2-CD2 4.19Å; V85-L312 HydrophobicContact CG1-CD1 4.38Å; V85-L312 HydrophobicContact CG2-CD1 4.17Å; V85-L312 HydrophobicContact CG2-CD2 3.87Å; V85-L312 HydrophobicContact CG2-CG 3.97Å; V138-L312 HydrophobicContact CG1-CD1 3.69Å; H141-L312 HydrophobicContact CB-CB 3.86Å; H141-L312 HydrophobicContact CB-CD1 3.93Å; Y145-L312 HydrophobicContact CD1-CD2 4.43Å; Y145-L312 HydrophobicContact CD2-CD2 4.23Å; Y145-L312 HydrophobicContact CG-CD2 3.9Å; I308-L312 HydrophobicContact CG2-CD1 4.02Å; I308-L312 HydrophobicContact CG2-CG 4.4Å; I308-L312 WeakPolarHBondContact O-CB 3.26Å; I308-L312 WeakPolarHBondContact O-CG 3.33Å; I308-L312 PolarHBondContact O-N 2.64Å; I309-L312 WeakPolarHBondContact O-CB 3.07Å; I309-L312 PolarHBondContact O-N 2.92Å; D310-L312 VanDerWaalsContact C-N 3.35Å; L312-H314 VanDerWaalsContact C-N 3.31Å; L312-H314 PolarHBondContact O-N 3.36Å; L312-I315 VanDerWaalsContact O-CG2 3.28Å; L312-I315 WeakPolarHBondContact O-CG2 2.99Å; L312-I315 PolarHBondContact O-N 3.29Å; L312-N316 VanDerWaalsContact O-CB 3.3Å; L312-N316 WeakPolarHBondContact O-CB 3.23Å; L312-N316 PolarHBondContact O-N 3.37Å; L312-N316 PolarHBondContact O-ND2 3.38Å; L312-N316 PolarHBondContact O-OD1 3.12Å |
| 313 | K | 97.6 | Very high | 93.6 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 174.1 | -72.3 | 170.4 | -172.8 | 160.7 | 0 | 111.2 | H141 I309 D310 N316 Q317 | H141-K313 VanDerWaalsContact CE1-CE 3.46Å; H141-K313 WeakPolarHBondContact CE1-CE 3.3Å; I309-K313 HydrophobicContact CG2-CD 4.18Å; I309-K313 VanDerWaalsContact CG2-CE 3.43Å; I309-K313 WeakPolarHBondContact O-CG 3.49Å; I309-K313 PolarHBondContact O-N 3.43Å; D310-K313 PolarHBondContact O-N 2.84Å; D310-K313 IonicContact OD1-NZ 3.69Å; D310-K313 PolarHBondContact OD1-NZ 2.92Å; K313-N316 PolarHBondContact O-N 3.07Å; K313-Q317 WeakPolarHBondContact O-CG 3.46Å; K313-Q317 PolarHBondContact O-N 3.19Å |
| 314 | H | 97.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 48.6 Ų | 48.6 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 180 | -177.1 | 60.9 | 0 | 0 | 0 | 112.4 | D310 K311 L312 N316 Q317 L318 | D310-H314 WeakPolarHBondContact O-CB 3.36Å; D310-H314 PolarHBondContact O-N 3.13Å; K311-H314 PolarHBondContact O-N 2.75Å; L312-H314 VanDerWaalsContact C-N 3.31Å; L312-H314 PolarHBondContact O-N 3.36Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 3.14Å; H314-Q317 WeakPolarHBondContact O-CB 3.48Å; H314-Q317 PolarHBondContact O-N 3.47Å; H314-L318 PolarHBondContact O-N 2.81Å; H314-L318 VanDerWaalsContact O-N 3.08Å |
| 315 | I | 97.8 | Very high | 93 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 178.2 | -161.8 | 64.2 | 0 | 0 | 0 | 111.5 | V74 Q77 A78 L81 Y145 K311 L312 Q317 L318 L319 | V74-I315 HydrophobicContact CG1-CD1 4.49Å; Q77-I315 HydrophobicContact CB-CD1 4.27Å; A78-I315 HydrophobicContact CB-CD1 4.13Å; A78-I315 HydrophobicContact CB-CG1 3.8Å; L81-I315 HydrophobicContact CD2-CB 3.82Å; L81-I315 HydrophobicContact CD2-CG2 3.45Å; L81-I315 VanDerWaalsContact CD2-CG2 3.45Å; Y145-I315 HydrophobicContact CD2-CG2 3.79Å; Y145-I315 HydrophobicContact CE2-CG2 4.43Å; K311-I315 PolarHBondContact O-N 3.44Å; L312-I315 VanDerWaalsContact O-CG2 3.28Å; L312-I315 WeakPolarHBondContact O-CG2 2.99Å; L312-I315 PolarHBondContact O-N 3.29Å; I315-Q317 VanDerWaalsContact C-N 3.3Å; I315-Q317 PolarHBondContact O-N 2.73Å; I315-L318 HydrophobicContact CD1-CB 4.39Å; I315-L318 HydrophobicContact CD1-CD1 4.06Å; I315-L318 WeakPolarHBondContact O-CB 3.21Å; I315-L318 PolarHBondContact O-N 3.22Å; I315-L318 VanDerWaalsContact O-N 3.12Å; I315-L319 HydrophobicContact CG1-CD1 4.18Å; I315-L319 HydrophobicContact CG1-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.42Å; I315-L319 VanDerWaalsContact O-CG 3.26Å; I315-L319 WeakPolarHBondContact O-CG 3.37Å; I315-L319 PolarHBondContact O-N 2.99Å |
| 316 | N | 97.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 177.9 | -70.9 | -14.7 | 0 | 0 | 0 | 111.3 | H141 S144 Y145 L312 K313 H314 N320 | H141-N316 PolarHBondContact O-ND2 2.78Å; H141-N316 VanDerWaalsContact O-ND2 3.1Å; S144-N316 WeakPolarHBondContact CB-ND2 3.32Å; S144-N316 PolarHBondContact OG-ND2 3.2Å; Y145-N316 WeakPolarHBondContact CA-OD1 3.26Å; Y145-N316 VanDerWaalsContact CB-OD1 3.3Å; Y145-N316 WeakPolarHBondContact CB-OD1 3.17Å; Y145-N316 PolarHBondContact N-OD1 3.13Å; L312-N316 VanDerWaalsContact O-CB 3.3Å; L312-N316 WeakPolarHBondContact O-CB 3.23Å; L312-N316 PolarHBondContact O-N 3.37Å; L312-N316 PolarHBondContact O-ND2 3.38Å; L312-N316 PolarHBondContact O-OD1 3.12Å; K313-N316 PolarHBondContact O-N 3.07Å; H314-N316 VanDerWaalsContact C-N 3.31Å; H314-N316 PolarHBondContact O-N 3.14Å; N316-N320 WeakPolarHBondContact O-CB 3.4Å; N316-N320 VanDerWaalsContact O-CG 3.25Å; N316-N320 PolarHBondContact O-N 3.21Å; N316-N320 PolarHBondContact O-ND2 3.2Å |
| 317 | Q | 96.5 | Very high | 91.3 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 171.7 | -70.7 | 170.7 | -3.8 | 0 | 0 | 111.6 | K313 H314 I315 N320 M321 | K313-Q317 WeakPolarHBondContact O-CG 3.46Å; K313-Q317 PolarHBondContact O-N 3.19Å; H314-Q317 WeakPolarHBondContact O-CB 3.48Å; H314-Q317 PolarHBondContact O-N 3.47Å; I315-Q317 VanDerWaalsContact C-N 3.3Å; I315-Q317 PolarHBondContact O-N 2.73Å; Q317-N320 PolarHBondContact O-N 3.47Å; Q317-M321 WeakPolarHBondContact O-CG 3.06Å; Q317-M321 PolarHBondContact O-N 3.12Å |
| 318 | L | 95.4 | Very high | 90.3 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 177.3 | -71.5 | 172.9 | 0 | 0 | 0 | 112.2 | V74 H314 I315 N320 M321 V322 | V74-L318 HydrophobicContact CG1-CB 4.32Å; H314-L318 PolarHBondContact O-N 2.81Å; H314-L318 VanDerWaalsContact O-N 3.08Å; I315-L318 HydrophobicContact CD1-CB 4.39Å; I315-L318 HydrophobicContact CD1-CD1 4.06Å; I315-L318 WeakPolarHBondContact O-CB 3.21Å; I315-L318 PolarHBondContact O-N 3.22Å; I315-L318 VanDerWaalsContact O-N 3.12Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 3.35Å; L318-M321 HydrophobicContact CD2-CE 3.72Å; L318-M321 HydrophobicContact CG-CE 4.44Å; L318-M321 PolarHBondContact O-N 3.5Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 2.99Å |
| 319 | L | 96.3 | Very high | 89 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 176.9 | -72 | 166.8 | 0 | 0 | 0 | 111 | V74 A78 Y145 L149 L152 I315 T323 | V74-L319 HydrophobicContact CG1-CD2 3.94Å; V74-L319 HydrophobicContact CG1-CG 4.42Å; A78-L319 HydrophobicContact CB-CD1 4.46Å; A78-L319 HydrophobicContact CB-CD2 4.26Å; Y145-L319 HydrophobicContact CD2-CD1 4.32Å; L149-L319 HydrophobicContact CB-CD1 4.42Å; L149-L319 HydrophobicContact CD1-CD2 4.31Å; L152-L319 HydrophobicContact CB-CD2 4.11Å; L152-L319 HydrophobicContact CD2-CD2 3.58Å; L152-L319 HydrophobicContact CG-CD2 4.49Å; I315-L319 HydrophobicContact CG1-CD1 4.18Å; I315-L319 HydrophobicContact CG1-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.42Å; I315-L319 VanDerWaalsContact O-CG 3.26Å; I315-L319 WeakPolarHBondContact O-CG 3.37Å; I315-L319 PolarHBondContact O-N 2.99Å; L319-T323 WeakPolarHBondContact O-CB 3.35Å; L319-T323 VanDerWaalsContact O-CG2 3.25Å; L319-T323 WeakPolarHBondContact O-CG2 3.16Å; L319-T323 PolarHBondContact O-N 3.19Å; L319-T323 PolarHBondContact O-OG1 3.25Å |
| 320 | N | 93.8 | Very high | 87.7 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.8 | -74.2 | -22.1 | 0 | 0 | 0 | 112.4 | N316 Q317 L318 V322 T323 V324 | N316-N320 WeakPolarHBondContact O-CB 3.4Å; N316-N320 VanDerWaalsContact O-CG 3.25Å; N316-N320 PolarHBondContact O-N 3.21Å; N316-N320 PolarHBondContact O-ND2 3.2Å; Q317-N320 PolarHBondContact O-N 3.47Å; L318-N320 VanDerWaalsContact C-N 3.33Å; L318-N320 PolarHBondContact O-N 3.35Å; N320-V322 PolarHBondContact O-N 3.33Å; N320-T323 WeakPolarHBondContact CA-OG1 3.26Å; N320-T323 PolarHBondContact O-N 3.35Å; N320-T323 PolarHBondContact O-OG1 2.96Å; N320-T323 VanDerWaalsContact O-OG1 3.05Å; N320-V324 VanDerWaalsContact O-CB 3.3Å; N320-V324 WeakPolarHBondContact O-CB 3.42Å; N320-V324 WeakPolarHBondContact O-CG2 3.44Å; N320-V324 PolarHBondContact O-N 3.41Å |
| 321 | M | 91.8 | Very high | 86.5 | Confident | 119 Ų | 119 | 63.8 Ų | 63.8 | 59% | 0.586 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 178.8 | -74.6 | -171.5 | -66.1 | 0 | 0 | 112 | Q317 L318 S325 | Q317-M321 WeakPolarHBondContact O-CG 3.06Å; Q317-M321 PolarHBondContact O-N 3.12Å; L318-M321 HydrophobicContact CD2-CE 3.72Å; L318-M321 HydrophobicContact CG-CE 4.44Å; L318-M321 PolarHBondContact O-N 3.5Å; M321-S325 VanDerWaalsContact O-CB 3.3Å; M321-S325 WeakPolarHBondContact O-CB 3.4Å; M321-S325 PolarHBondContact O-N 3.33Å; M321-S325 PolarHBondContact O-OG 3.32Å |
| 322 | V | 91 | Very high | 85.1 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | L70 A71 V74 L152 L318 N320 S325 E326 | L70-V322 HydrophobicContact CD2-CG2 4.34Å; L70-V322 HydrophobicContact CG-CG2 4.28Å; A71-V322 HydrophobicContact CB-CG1 4.45Å; V74-V322 HydrophobicContact CB-CG2 4.41Å; V74-V322 HydrophobicContact CG1-CG2 4.48Å; V74-V322 HydrophobicContact CG2-CG2 3.92Å; L152-V322 HydrophobicContact CD1-CB 4.31Å; L152-V322 HydrophobicContact CD1-CG1 3.63Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 2.99Å; N320-V322 PolarHBondContact O-N 3.33Å; V322-S325 PolarHBondContact O-N 3.48Å; V322-S325 PolarHBondContact O-OG 2.81Å; V322-E326 PolarHBondContact O-N 3.09Å |
| 323 | T | 89.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67 | -38.1 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | K151 L152 L319 N320 E326 K327 | K151-T323 HydrophobicContact CB-CG2 4.24Å; L152-T323 HydrophobicContact CB-CG2 3.76Å; L152-T323 HydrophobicContact CD1-CG2 4.09Å; L319-T323 WeakPolarHBondContact O-CB 3.35Å; L319-T323 VanDerWaalsContact O-CG2 3.25Å; L319-T323 WeakPolarHBondContact O-CG2 3.16Å; L319-T323 PolarHBondContact O-N 3.19Å; L319-T323 PolarHBondContact O-OG1 3.25Å; N320-T323 WeakPolarHBondContact CA-OG1 3.26Å; N320-T323 PolarHBondContact O-N 3.35Å; N320-T323 PolarHBondContact O-OG1 2.96Å; N320-T323 VanDerWaalsContact O-OG1 3.05Å; T323-E326 WeakPolarHBondContact O-CB 3.16Å; T323-E326 PolarHBondContact O-N 3.39Å; T323-K327 WeakPolarHBondContact O-CG 3.33Å; T323-K327 PolarHBondContact O-N 3.35Å |
| 324 | V | 81.2 | Confident | 81.5 | Confident | 79 Ų | 79 | 76.8 Ų | 76.8 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 175.6 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | N320 E326 K327 R328 | N320-V324 VanDerWaalsContact O-CB 3.3Å; N320-V324 WeakPolarHBondContact O-CB 3.42Å; N320-V324 WeakPolarHBondContact O-CG2 3.44Å; N320-V324 PolarHBondContact O-N 3.41Å; V324-E326 PolarHBondContact O-N 2.9Å; V324-K327 PolarHBondContact O-N 3.19Å; V324-K327 VanDerWaalsContact O-N 3.12Å; V324-R328 PolarHBondContact O-N 3.05Å |
| 325 | S | 75.8 | Confident | 79 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 174.7 | 78.7 | 0 | 0 | 0 | 0 | 110.2 | M321 V322 K327 R328 W329 | M321-S325 VanDerWaalsContact O-CB 3.3Å; M321-S325 WeakPolarHBondContact O-CB 3.4Å; M321-S325 PolarHBondContact O-N 3.33Å; M321-S325 PolarHBondContact O-OG 3.32Å; V322-S325 PolarHBondContact O-N 3.48Å; V322-S325 PolarHBondContact O-OG 2.81Å; S325-K327 PolarHBondContact O-N 3.41Å; S325-R328 PolarHBondContact O-N 3.3Å; S325-W329 PolarHBondContact O-N 2.98Å |
| 326 | E | 72.5 | Confident | 76.5 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.9 | -50.4 | 173.5 | 155.8 | 178.8 | -159.7 | 0 | 0 | 112.5 | G155 Q160 V322 T323 V324 R328 W329 R330 | G155-E326 WeakPolarHBondContact CA-OE1 3.42Å; G155-E326 WeakPolarHBondContact CA-OE2 3.5Å; G155-E326 VanDerWaalsContact O-OE1 3.06Å; Q160-E326 PolarHBondContact OE1-OE1 3.02Å; Q160-E326 VanDerWaalsContact OE1-OE1 3.13Å; V322-E326 PolarHBondContact O-N 3.09Å; T323-E326 WeakPolarHBondContact O-CB 3.16Å; T323-E326 PolarHBondContact O-N 3.39Å; V324-E326 PolarHBondContact O-N 2.9Å; E326-R328 VanDerWaalsContact C-N 3.32Å; E326-R328 PolarHBondContact O-N 3.45Å; E326-W329 PolarHBondContact O-N 3.24Å; E326-W329 VanDerWaalsContact O-N 3.13Å; E326-R330 HydrophobicContact CG-CG 4.43Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE1-CZ 3.65Å; E326-R330 IonicContact OE1-NE 3.03Å; E326-R330 PolarHBondContact OE1-NE 3.02Å; E326-R330 IonicContact OE1-NH2 2.78Å; E326-R330 PolarHBondContact OE1-NH2 2.73Å |
| 327 | K | 71.8 | Confident | 73.6 | Confident | 141 Ų | 141 | 83.1 Ų | 83.1 | 61% | 0.613 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | -177.8 | -72.7 | -180 | -177 | -176.1 | 0 | 111.5 | T323 V324 S325 W329 R330 A331 | T323-K327 WeakPolarHBondContact O-CG 3.33Å; T323-K327 PolarHBondContact O-N 3.35Å; V324-K327 PolarHBondContact O-N 3.19Å; V324-K327 VanDerWaalsContact O-N 3.12Å; S325-K327 PolarHBondContact O-N 3.41Å; K327-W329 VanDerWaalsContact C-N 3.3Å; K327-W329 PolarHBondContact O-N 2.85Å; K327-R330 PolarHBondContact O-N 2.8Å; K327-A331 PolarHBondContact O-N 3.25Å |
| 328 | R | 71.9 | Confident | 70.8 | Confident | 170 Ų | 170 | 81.4 Ų | 81.4 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.8 | -42.2 | 175.8 | -179.8 | 179 | -71.1 | 166.2 | -3 | 111.4 | V324 S325 E326 A331 R332 | V324-R328 PolarHBondContact O-N 3.05Å; S325-R328 PolarHBondContact O-N 3.3Å; E326-R328 VanDerWaalsContact C-N 3.32Å; E326-R328 PolarHBondContact O-N 3.45Å; R328-A331 PolarHBondContact O-N 3.08Å; R328-R332 WeakPolarHBondContact O-CG 3.33Å; R328-R332 PolarHBondContact O-N 3.06Å; R328-R332 VanDerWaalsContact O-N 3.12Å |
| 329 | W | 65.9 | Low | 68 | Low | 97 Ų | 97 | 85.7 Ų | 85.7 | 37% | 0.367 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 178.5 | -68.5 | 122.9 | 0 | 0 | 0 | 113.3 | S325 E326 K327 A331 R332 S333 | S325-W329 PolarHBondContact O-N 2.98Å; E326-W329 PolarHBondContact O-N 3.24Å; E326-W329 VanDerWaalsContact O-N 3.13Å; K327-W329 VanDerWaalsContact C-N 3.3Å; K327-W329 PolarHBondContact O-N 2.85Å; W329-A331 VanDerWaalsContact C-N 3.28Å; W329-A331 PolarHBondContact O-N 2.87Å; W329-R332 PolarHBondContact O-N 2.91Å; W329-S333 PolarHBondContact O-N 3.43Å; W329-S333 PolarHBondContact O-OG 3.31Å |
| 330 | R | 67 | Low | 65.2 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175 | -73.2 | -176.9 | -174.4 | -113.4 | 4.8 | 111.3 | G155 E326 K327 S333 R334 | G155-R330 PolarHBondContact O-NH2 2.96Å; E326-R330 HydrophobicContact CG-CG 4.43Å; E326-R330 PolarHBondContact O-N 3.43Å; E326-R330 IonicContact OE1-CZ 3.65Å; E326-R330 IonicContact OE1-NE 3.03Å; E326-R330 PolarHBondContact OE1-NE 3.02Å; E326-R330 IonicContact OE1-NH2 2.78Å; E326-R330 PolarHBondContact OE1-NH2 2.73Å; K327-R330 PolarHBondContact O-N 2.8Å; R330-S333 PolarHBondContact O-N 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.32Å; R330-R334 PolarHBondContact O-N 3.39Å |
| 331 | A | 70.7 | Confident | 62.2 | Low | 66 Ų | 66 | 92.3 Ų | 92.3 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K327 R328 W329 S333 R334 G335 | K327-A331 PolarHBondContact O-N 3.25Å; R328-A331 PolarHBondContact O-N 3.08Å; W329-A331 VanDerWaalsContact C-N 3.28Å; W329-A331 PolarHBondContact O-N 2.87Å; A331-S333 VanDerWaalsContact C-N 3.35Å; A331-S333 PolarHBondContact O-N 3.43Å; A331-R334 PolarHBondContact O-N 3.49Å; A331-G335 PolarHBondContact O-N 3.44Å |
| 332 | R | 67.4 | Low | 59.6 | Low | 163 Ų | 163 | 95.8 Ų | 95.8 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | 176.1 | -69.8 | 176.2 | 77.9 | 150.9 | 7.5 | 113.3 | R328 W329 G335 A336 | R328-R332 WeakPolarHBondContact O-CG 3.33Å; R328-R332 PolarHBondContact O-N 3.06Å; R328-R332 VanDerWaalsContact O-N 3.12Å; W329-R332 PolarHBondContact O-N 2.91Å; R332-G335 PolarHBondContact O-N 2.98Å; R332-A336 PolarHBondContact O-N 2.88Å |
| 333 | S | 60.2 | Low | 56.7 | Low | 48 Ų | 48 | 99.3 Ų | 99.3 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.4 | -39.1 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | W329 R330 A331 G335 A336 D337 | W329-S333 PolarHBondContact O-N 3.43Å; W329-S333 PolarHBondContact O-OG 3.31Å; R330-S333 PolarHBondContact O-N 2.97Å; A331-S333 VanDerWaalsContact C-N 3.35Å; A331-S333 PolarHBondContact O-N 3.43Å; S333-G335 VanDerWaalsContact C-N 3.26Å; S333-G335 PolarHBondContact O-N 3.02Å; S333-A336 PolarHBondContact O-N 3.5Å; S333-D337 PolarHBondContact O-N 3.43Å; S333-D337 VanDerWaalsContact O-N 3.14Å |
| 334 | R | 59.1 | Low | 54.7 | Low | 189 Ų | 189 | 104.9 Ų | 104.9 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -28.7 | 173.5 | -75 | 178.7 | 176.1 | 175.6 | -3.7 | 113.5 | R330 A331 A336 | R330-R334 WeakPolarHBondContact O-CG 3.32Å; R330-R334 PolarHBondContact O-N 3.39Å; A331-R334 PolarHBondContact O-N 3.49Å; R334-A336 VanDerWaalsContact C-N 3.32Å |
| 335 | G | 45.5 | Very low | 52.4 | Low | 55 Ų | 55 | 104.3 Ų | 104.3 | 57% | 0.567 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.2 | -19.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A331 R332 S333 | A331-G335 PolarHBondContact O-N 3.44Å; R332-G335 PolarHBondContact O-N 2.98Å; S333-G335 VanDerWaalsContact C-N 3.26Å; S333-G335 PolarHBondContact O-N 3.02Å |
| 336 | A | 45.3 | Very low | 50.5 | Low | 64 Ų | 64 | 109.9 Ų | 109.9 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -88.1 | -24.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R332 S333 R334 A338 | R332-A336 PolarHBondContact O-N 2.88Å; S333-A336 PolarHBondContact O-N 3.5Å; R334-A336 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 2.91Å |
| 337 | D | 36.7 | Very low | 48.9 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 2.3 | 175.8 | -71.6 | -28.4 | 0 | 0 | 0 | 113.4 | S333 | S333-D337 PolarHBondContact O-N 3.43Å; S333-D337 VanDerWaalsContact O-N 3.14Å |
| 338 | A | 38.3 | Very low | 47.5 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -0.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A336 | A336-A338 PolarHBondContact O-N 2.91Š|
| 339 | D | 35.8 | Very low | 46.6 | Very low | 130 Ų | 130 | 114.1 Ų | 114.1 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | trans | -154.7 | 79.1 | 177.8 | -157.3 | 23.1 | 0 | 0 | 0 | 111.3 | G341 | D339-G341 PolarHBondContact O-N 2.92Š| ||
| 340 | E | 39.2 | Very low | 46.3 | Very low | 170 Ų | 170 | 117.9 Ų | 117.9 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -84.8 | 70.4 | 160.2 | -80.3 | -100.9 | 159.8 | 0 | 0 | 108 | ||||
| 341 | G | 30.2 | Very low | 45.4 | Very low | 44 Ų | 44 | 121.2 Ų | 121.2 | 45% | 0.454 | 71% | 0.705 | S | S | . | * | trans | -127.9 | 92.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | D339 A343 | D339-G341 PolarHBondContact O-N 2.92Å; G341-A343 PolarHBondContact O-N 3.06Å | ||
| 342 | F | 36.2 | Very low | 44.1 | Very low | 191 Ų | 191 | 127.2 Ų | 127.2 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -66.6 | 83.1 | 169.3 | -74 | -84.5 | 0 | 0 | 0 | 108.9 | ||||
| 343 | A | 30.5 | Very low | 42.8 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | trans | -85.4 | 110.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | G341 G345 | G341-A343 PolarHBondContact O-N 3.06Å; A343-G345 PolarHBondContact O-N 3.23Å; A343-G345 VanDerWaalsContact O-N 3.08Å | ||
| 344 | S | 47.5 | Very low | 41.5 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -54.5 | 105.8 | 162.3 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 345 | G | 33.6 | Very low | 40.6 | Very low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -101.9 | 105.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A343 | A343-G345 PolarHBondContact O-N 3.23Å; A343-G345 VanDerWaalsContact O-N 3.08Å | ||
| 346 | D | 34.6 | Very low | 39.9 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -41.8 | 130.9 | 161.4 | -124.1 | -18.1 | 0 | 0 | 0 | 110.6 | ||||
| 347 | C | 40.6 | Very low | 39.5 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -92 | 98.6 | 167.9 | -64 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 348 | D | 40.4 | Very low | 39.4 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 138.6 | 170.2 | -135.4 | -11.4 | 0 | 0 | 0 | 108.7 | ||||
| 349 | D | 54.4 | Low | 39.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -69.8 | 156 | -169.8 | -55.2 | -47.3 | 0 | 0 | 0 | 111.8 | ||
| 350 | E | 59 | Low | 38.9 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 91.1 | 73.1 | -177.7 | -48.6 | -66.4 | 160.6 | 0 | 0 | 115.1 | ||||
| 351 | D | 47.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -173.5 | 136.2 | 130.1 | -89.8 | -29.8 | 0 | 0 | 0 | 111.4 | C353 | D351-C353 PolarHBondContact O-N 3.27Š| ||
| 352 | E | 43.8 | Very low | 38.8 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -56.9 | 100.1 | -172.6 | -156.1 | 170 | 150.2 | 0 | 0 | 112.8 | A354 | E352-A354 PolarHBondContact O-N 3.17Š| ||
| 353 | C | 41 | Very low | 38.6 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 92 | 170 | -77.1 | 0 | 0 | 0 | 0 | 109.8 | D351 E355 | D351-C353 PolarHBondContact O-N 3.27Å; C353-E355 PolarHBondContact O-N 3.44Å | ||
| 354 | A | 33.4 | Very low | 38.9 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -55.7 | 111 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E352 V356 | E352-A354 PolarHBondContact O-N 3.17Å; A354-V356 PolarHBondContact O-N 3.04Å | ||
| 355 | E | 40.2 | Very low | 38.3 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -60.6 | 116.3 | 160.9 | -81.8 | -171.7 | 136 | 0 | 0 | 110.1 | C353 | C353-E355 PolarHBondContact O-N 3.44Š| ||
| 356 | V | 30.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -127.7 | 94.4 | 155.2 | 166.4 | 0 | 0 | 0 | 0 | 109.4 | A354 | A354-V356 PolarHBondContact O-N 3.04Š| ||
| 357 | S | 36.9 | Very low | 38.3 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | 47.3 | 103.5 | 121 | -67.5 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 358 | G | 34.9 | Very low | 37.8 | Very low | 79 Ų | 79 | 147.4 Ų | 147.4 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | 48.8 | 89.6 | 120.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | G360 | G358-G360 PolarHBondContact O-N 3.32Å; G358-G360 VanDerWaalsContact O-N 3.13Å | |||
| 359 | L | 32.6 | Very low | 37.6 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -79.4 | 91.1 | 157.1 | -70.7 | 175.2 | 0 | 0 | 0 | 109.3 | ||||
| 360 | G | 30.5 | Very low | 36.7 | Very low | 57 Ų | 57 | 149.8 Ų | 149.8 | 59% | 0.588 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 156.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G358 | G358-G360 PolarHBondContact O-N 3.32Å; G358-G360 VanDerWaalsContact O-N 3.13Å |
| 361 | P | 33 | Very low | 35.4 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64 | 147.2 | -177.8 | 25.4 | -32.3 | 0 | 0 | 0 | 111.7 | ||
| 362 | P | 33.5 | Very low | 34.6 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64 | 148.1 | -178.3 | 25.7 | -32.8 | 0 | 0 | 0 | 111.5 | R364 | P362-R364 PolarHBondContact O-N 3.46Š|
| 363 | P | 32.6 | Very low | 34.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.6 | -173.4 | 24.6 | -31.8 | 0 | 0 | 0 | 110.9 | R365 | P363-R365 VanDerWaalsContact C-N 3.34Å; P363-R365 PolarHBondContact O-N 3.18Å |
| 364 | R | 36.7 | Very low | 33.5 | Very low | 243 Ų | 243 | 145.1 Ų | 145.1 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -61.9 | 90.3 | 169.2 | -77.2 | -174.5 | 153.6 | 171.4 | -4.8 | 109.8 | P362 | P362-R364 PolarHBondContact O-N 3.46Š| ||
| 365 | R | 34.5 | Very low | 33.5 | Very low | 224 Ų | 224 | 147.2 Ų | 147.2 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -86.8 | 131.3 | 166.4 | -74.4 | -171.3 | 176.3 | -143.3 | 0.2 | 109.9 | P363 R367 | P363-R365 VanDerWaalsContact C-N 3.34Å; P363-R365 PolarHBondContact O-N 3.18Å; R365-R367 PolarHBondContact O-N 3.47Å; R365-R367 VanDerWaalsContact O-N 3.08Å | ||
| 366 | K | 31.1 | Very low | 32.9 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -47.3 | 109.8 | -177.9 | -67.3 | 175.7 | 178.2 | 179.4 | 0 | 110.7 | ||||
| 367 | R | 36.7 | Very low | 32.7 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 49% | 0.487 | 79% | 0.79 | S | S | . | * | trans | -74.2 | 121.1 | 170.2 | -94.1 | 176.5 | 177.4 | -101.2 | -9.3 | 108.8 | R73 R365 R369 | R73-R367 VanDerWaalsContact NH2-NH2 3.1Å; R365-R367 PolarHBondContact O-N 3.47Å; R365-R367 VanDerWaalsContact O-N 3.08Å; R367-R369 PolarHBondContact O-N 3.35Å | ||
| 368 | L | 30.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 112.6 | 162.2 | -72.3 | 163.8 | 0 | 0 | 0 | 107.8 | I370 | L368-I370 HydrophobicContact CB-CG1 4.29Š| ||
| 369 | R | 35.6 | Very low | 31.8 | Very low | 238 Ų | 238 | 160.3 Ų | 160.3 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -76.1 | 115.9 | 163.7 | -71.1 | -178.6 | -174.4 | 167.9 | 1.8 | 106.5 | R367 | R367-R369 PolarHBondContact O-N 3.35Š| ||
| 370 | I | 36.7 | Very low | 31.6 | Very low | 110 Ų | 110 | 158.7 Ų | 158.7 | 56% | 0.564 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 87.4 | 172.4 | -53.2 | -179.5 | 0 | 0 | 0 | 107.2 | L368 | L368-I370 HydrophobicContact CB-CG1 4.29Š| ||
| 371 | F | 31.3 | Very low | 31.5 | Very low | 202 Ų | 202 | 164 Ų | 164 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | -139.8 | 110.5 | 152.9 | -80.7 | -71.5 | 0 | 0 | 0 | 107.1 | ||||
| 372 | A | 29.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 165.6 Ų | 165.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -159.6 | 114.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 373 | G | 34.4 | Very low | 31 | Very low | 77 Ų | 77 | 166.3 Ų | 166.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -70 | 148.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 374 | Q | 27 | Very low | 30.8 | Very low | 180 Ų | 180 | 171.5 Ų | 171.5 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 107.9 | 160.4 | -96.6 | 174 | 24.1 | 0 | 0 | 109 | ||||
| 375 | T | 33.8 | Very low | 30.7 | Very low | 136 Ų | 136 | 165.4 Ų | 165.4 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -63.6 | 125.9 | 154.4 | 42.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 376 | H | 27.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -146 | 132.4 | 158.1 | -107.4 | -78.3 | 0 | 0 | 0 | 113.6 | ||||
| 377 | K | 26.6 | Very low | 30.6 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -66.1 | 139.9 | -178.9 | -74.3 | 170.2 | 172 | 175 | 0 | 111.5 | H379 | K377-H379 PolarHBondContact O-N 3.14Š| ||
| 378 | R | 27 | Very low | 30.9 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -69.5 | 120.2 | 168.2 | -79.2 | -177.8 | -86.9 | -158.1 | -5.5 | 110 | ||||
| 379 | H | 26 | Very low | 31.7 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -103.4 | 116 | 154.4 | -90.3 | -70.1 | 0 | 0 | 0 | 108 | K377 H381 | K377-H379 PolarHBondContact O-N 3.14Å; H379-H381 PolarHBondContact O-N 3.36Å | ||
| 380 | L | 27.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -75.1 | 119 | 165.1 | -94.6 | 82.9 | 0 | 0 | 0 | 108.1 | ||||
| 381 | H | 28.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -102.7 | 115.4 | 161.7 | -114.9 | 66.6 | 0 | 0 | 0 | 107.8 | H379 N383 | H379-H381 PolarHBondContact O-N 3.36Å; H381-N383 PolarHBondContact O-N 3.2Å | ||
| 382 | N | 27.2 | Very low | 34 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -83.3 | 94.9 | 174.1 | -111.2 | -3.8 | 0 | 0 | 0 | 108.9 | ||||
| 383 | N | 29.1 | Very low | 34.3 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -95.1 | 110.8 | 163.7 | -87.7 | -4.7 | 0 | 0 | 0 | 108.9 | H381 I385 | H381-N383 PolarHBondContact O-N 3.2Å; N383-I385 PolarHBondContact O-N 3.3Å; N383-I385 VanDerWaalsContact O-N 3.1Å | ||
| 384 | K | 29.3 | Very low | 34.3 | Very low | 218 Ų | 218 | 145.8 Ų | 145.8 | 95% | 0.948 | 75% | 0.751 | S | S | * | * | trans | -66.4 | 103.5 | 165.9 | -82.2 | -178.9 | 175.8 | 178.7 | 0 | 108.3 | ||||
| 385 | I | 33.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 59% | 0.585 | 75% | 0.746 | S | S | * | * | trans | -96 | 117.2 | 166.7 | -60 | 167.6 | 0 | 0 | 0 | 105.9 | N383 W387 | N383-I385 PolarHBondContact O-N 3.3Å; N383-I385 VanDerWaalsContact O-N 3.1Å; I385-W387 PolarHBondContact O-N 3.04Å | ||
| 386 | G | 28.5 | Very low | 34.7 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | trans | -71 | 121.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 387 | W | 35.8 | Very low | 35.1 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 58% | 0.576 | 74% | 0.735 | S | S | * | * | trans | -104.3 | 114.5 | 175.2 | -65.2 | 78.2 | 0 | 0 | 0 | 108.8 | I385 I389 | I385-W387 PolarHBondContact O-N 3.04Å; W387-I389 PolarHBondContact O-N 2.78Å | ||
| 388 | T | 42.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 87% | 0.871 | 73% | 0.729 | S | S | * | * | trans | -77.3 | 109.2 | 162.9 | -23.5 | 0 | 0 | 0 | 0 | 107.2 | N390 | T388-N390 PolarHBondContact O-N 2.94Š| ||
| 389 | I | 48.4 | Very low | 36.3 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 36% | 0.364 | 72% | 0.717 | S | S | . | * | trans | -77.8 | 102.6 | 177.4 | -57.1 | 174.7 | 0 | 0 | 0 | 107.3 | L103 W387 | L103-I389 HydrophobicContact CD1-CG1 4.43Å; L103-I389 HydrophobicContact CD2-CD1 4.13Å; L103-I389 HydrophobicContact CD2-CG1 4.43Å; W387-I389 PolarHBondContact O-N 2.78Å | ||
| 390 | N | 52.7 | Low | 37.1 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -90.6 | 106.1 | 174.7 | -139.5 | -4.1 | 0 | 0 | 0 | 108.5 | T388 A392 | T388-N390 PolarHBondContact O-N 2.94Å; N390-A392 VanDerWaalsContact C-N 3.31Å | ||
| 391 | C | 51.8 | Low | 37.9 | Very low | 35 Ų | 35 | 127.1 Ų | 127.1 | 24% | 0.236 | 70% | 0.704 | C | S | . | * | trans | -91.3 | 11.3 | -179.1 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | C108 | C108-C391 WeakPolarHBondContact CA-SG 3.31Å; C108-C391 HydrophobicContact CB-CB 3.9Å; C108-C391 WeakPolarHBondContact CB-SG 3.49Å; C108-C391 WeakPolarHBondContact SG-CB 3.49Å; C108-C391 CovalentContact SG-SG 2.06Å; C108-C391 PolarHBondContact SG-SG 3.04Å | ||
| 392 | A | 48.6 | Very low | 38.8 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 100% | 1.05 | 70% | 0.698 | S | S | * | * | trans | -82.5 | 0 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R104 N390 | R104-A392 PolarHBondContact NH2-O 3.08Å; N390-A392 VanDerWaalsContact C-N 3.31Å |
Retrieved 392 of 392 residues in 193.3 ms
(Link to these results)