| 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 | 70.9 | Confident | 88.2 | Confident | 149 Ų | 149 | 89.4 Ų | 89.4 | 73% | 0.734 | 45% | 0.454 | S | S | * | . | 0 | -39.3 | 0 | -75.7 | 175.3 | 71.4 | 0 | 0 | 112.9 | C3 F4 M5 | M1-C3 PolarHBondContact O-N 3.33Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.04Å; M1-M5 PolarHBondContact O-N 2.88Å | |||
| 2 | T | 82.9 | Confident | 88.5 | Confident | 91 Ų | 91 | 86.1 Ų | 86.1 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.6 | -47.2 | -176.3 | -39.1 | 0 | 0 | 0 | 0 | 114.9 | F4 M5 N6 | T2-F4 VanDerWaalsContact C-N 3.31Å; T2-F4 PolarHBondContact O-N 2.68Å; T2-M5 PolarHBondContact O-N 2.7Å; T2-N6 WeakPolarHBondContact O-CB 3.13Å; T2-N6 PolarHBondContact O-N 2.9Å; T2-N6 PolarHBondContact O-OD1 2.71Å |
| 3 | C | 84.3 | Confident | 88.7 | Confident | 110 Ų | 110 | 88.5 Ų | 88.5 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -39.1 | 178.3 | -62 | 0 | 0 | 0 | 0 | 112.8 | M1 F7 | M1-C3 PolarHBondContact O-N 3.33Å; C3-F7 WeakPolarHBondContact O-CB 3.36Å; C3-F7 PolarHBondContact O-N 2.89Å |
| 4 | F | 88.6 | Confident | 88.9 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 54% | 0.535 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 177.1 | -172.3 | -102.3 | 0 | 0 | 0 | 110.7 | M1 T2 N6 F7 F8 F185 | M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 3.04Å; T2-F4 VanDerWaalsContact C-N 3.31Å; T2-F4 PolarHBondContact O-N 2.68Å; F4-N6 PolarHBondContact O-N 2.7Å; F4-F7 WeakPolarHBondContact O-CB 3.42Å; F4-F7 PolarHBondContact O-N 3.48Å; F4-F8 AromaticContact CD1-CD2 3.97Å; F4-F8 HydrophobicContact CD1-CD2 3.97Å; F4-F8 AromaticContact CD1-CE2 3.98Å; F4-F8 HydrophobicContact CD1-CE2 3.98Å; F4-F8 HydrophobicContact CD2-CD2 4.39Å; F4-F8 AromaticContact CD2-CE2 3.86Å; F4-F8 HydrophobicContact CD2-CE2 3.86Å; F4-F8 AromaticContact CE1-CD2 3.8Å; F4-F8 HydrophobicContact CE1-CD2 3.8Å; F4-F8 AromaticContact CE1-CE2 3.49Å; F4-F8 HydrophobicContact CE1-CE2 3.49Å; F4-F8 VanDerWaalsContact CE1-CE2 3.49Å; F4-F8 HydrophobicContact CE1-CZ 4.4Å; F4-F8 HydrophobicContact CE2-CD2 4.28Å; F4-F8 AromaticContact CE2-CE2 3.39Å; F4-F8 HydrophobicContact CE2-CE2 3.39Å; F4-F8 HydrophobicContact CE2-CZ 4.2Å; F4-F8 HydrophobicContact CG-CD2 4.27Å; F4-F8 HydrophobicContact CG-CE2 4.15Å; F4-F8 AromaticContact CZ-CD2 3.99Å; F4-F8 HydrophobicContact CZ-CD2 3.99Å; F4-F8 AromaticContact CZ-CE2 3.18Å; F4-F8 HydrophobicContact CZ-CE2 3.18Å; F4-F8 AromaticContact CZ-CZ 3.87Å; F4-F8 HydrophobicContact CZ-CZ 3.87Å; F4-F8 VanDerWaalsContact O-CD2 3.3Å; F4-F8 WeakPolarHBondContact O-CD2 3.43Å; F4-F8 PolarHBondContact O-N 2.83Å; F4-F8 VanDerWaalsContact O-N 3.11Å; F4-F185 AromaticContact CD1-CE2 3.72Å; F4-F185 HydrophobicContact CD1-CE2 3.72Å; F4-F185 AromaticContact CD1-CZ 3.84Å; F4-F185 HydrophobicContact CD1-CZ 3.84Å; F4-F185 HydrophobicContact CE1-CE2 4.17Å; F4-F185 AromaticContact CE1-CZ 3.82Å; F4-F185 HydrophobicContact CE1-CZ 3.82Å |
| 5 | M | 90.9 | Very high | 89.2 | Confident | 17 Ų | 17 | 87.3 Ų | 87.3 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 175 | -170.4 | 176.7 | 73.8 | 0 | 0 | 111.9 | M1 T2 F7 F8 T9 Y184 F185 H188 V189 | M1-M5 PolarHBondContact O-N 2.88Å; T2-M5 PolarHBondContact O-N 2.7Å; M5-F7 VanDerWaalsContact C-N 3.29Å; M5-F7 PolarHBondContact O-N 3.39Å; M5-F8 PolarHBondContact O-N 2.77Å; M5-T9 WeakPolarHBondContact O-CB 3.23Å; M5-T9 PolarHBondContact O-N 2.83Å; M5-T9 PolarHBondContact O-OG1 3.45Å; M5-T9 VanDerWaalsContact O-OG1 3.08Å; M5-Y184 HydrophobicContact CE-CE1 4.1Å; M5-Y184 HydrophobicContact SD-CD1 4.26Å; M5-Y184 HydrophobicContact SD-CE1 4Å; M5-F185 HydrophobicContact CB-CD2 3.85Å; M5-F185 HydrophobicContact CB-CE2 3.79Å; M5-F185 HydrophobicContact CG-CD2 3.84Å; M5-F185 HydrophobicContact CG-CE2 4.06Å; M5-F185 HydrophobicContact SD-CD2 4.29Å; M5-H188 HydrophobicContact CE-CB 4.13Å; M5-H188 HydrophobicContact CG-CB 3.9Å; M5-H188 HydrophobicContact SD-CB 3.55Å; M5-H188 VanDerWaalsContact SD-CB 3.55Å; M5-V189 HydrophobicContact CG-CG2 4.08Å |
| 6 | N | 89.4 | Confident | 89.4 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 178.3 | -70.1 | -9 | 0 | 0 | 0 | 112.3 | T2 F4 F10 | T2-N6 WeakPolarHBondContact O-CB 3.13Å; T2-N6 PolarHBondContact O-N 2.9Å; T2-N6 PolarHBondContact O-OD1 2.71Å; F4-N6 PolarHBondContact O-N 2.7Å; N6-F10 WeakPolarHBondContact O-CB 3.23Å; N6-F10 PolarHBondContact O-N 2.8Å |
| 7 | F | 93.1 | Very high | 89.5 | Confident | 121 Ų | 121 | 82.6 Ų | 82.6 | 53% | 0.531 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 175.9 | 175.8 | -102.3 | 0 | 0 | 0 | 111.9 | C3 F4 M5 F10 I11 | C3-F7 WeakPolarHBondContact O-CB 3.36Å; C3-F7 PolarHBondContact O-N 2.89Å; F4-F7 WeakPolarHBondContact O-CB 3.42Å; F4-F7 PolarHBondContact O-N 3.48Å; M5-F7 VanDerWaalsContact C-N 3.29Å; M5-F7 PolarHBondContact O-N 3.39Å; F7-F10 WeakPolarHBondContact O-CB 3.47Å; F7-F10 PolarHBondContact O-N 3.05Å; F7-I11 HydrophobicContact CD1-CD1 3.9Å; F7-I11 HydrophobicContact CE1-CD1 3.39Å; F7-I11 HydrophobicContact CE1-CG1 4.47Å; F7-I11 HydrophobicContact CE2-CD1 4.4Å; F7-I11 HydrophobicContact CZ-CD1 3.69Å; F7-I11 HydrophobicContact CZ-CG1 4.47Å; F7-I11 WeakPolarHBondContact O-CG1 3.13Å; F7-I11 PolarHBondContact O-N 3.26Å |
| 8 | F | 93.1 | Very high | 89.6 | Confident | 65 Ų | 65 | 82.6 Ų | 82.6 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 177.4 | -78.9 | -82 | 0 | 0 | 0 | 112.5 | F4 M5 F10 I11 F12 V189 | F4-F8 AromaticContact CD1-CD2 3.97Å; F4-F8 HydrophobicContact CD1-CD2 3.97Å; F4-F8 AromaticContact CD1-CE2 3.98Å; F4-F8 HydrophobicContact CD1-CE2 3.98Å; F4-F8 HydrophobicContact CD2-CD2 4.39Å; F4-F8 AromaticContact CD2-CE2 3.86Å; F4-F8 HydrophobicContact CD2-CE2 3.86Å; F4-F8 AromaticContact CE1-CD2 3.8Å; F4-F8 HydrophobicContact CE1-CD2 3.8Å; F4-F8 AromaticContact CE1-CE2 3.49Å; F4-F8 HydrophobicContact CE1-CE2 3.49Å; F4-F8 VanDerWaalsContact CE1-CE2 3.49Å; F4-F8 HydrophobicContact CE1-CZ 4.4Å; F4-F8 HydrophobicContact CE2-CD2 4.28Å; F4-F8 AromaticContact CE2-CE2 3.39Å; F4-F8 HydrophobicContact CE2-CE2 3.39Å; F4-F8 HydrophobicContact CE2-CZ 4.2Å; F4-F8 HydrophobicContact CG-CD2 4.27Å; F4-F8 HydrophobicContact CG-CE2 4.15Å; F4-F8 AromaticContact CZ-CD2 3.99Å; F4-F8 HydrophobicContact CZ-CD2 3.99Å; F4-F8 AromaticContact CZ-CE2 3.18Å; F4-F8 HydrophobicContact CZ-CE2 3.18Å; F4-F8 AromaticContact CZ-CZ 3.87Å; F4-F8 HydrophobicContact CZ-CZ 3.87Å; F4-F8 VanDerWaalsContact O-CD2 3.3Å; F4-F8 WeakPolarHBondContact O-CD2 3.43Å; F4-F8 PolarHBondContact O-N 2.83Å; F4-F8 VanDerWaalsContact O-N 3.11Å; M5-F8 PolarHBondContact O-N 2.77Å; F8-F10 PolarHBondContact O-N 3.2Å; F8-I11 HydrophobicContact CD1-CD1 4.35Å; F8-I11 WeakPolarHBondContact O-CB 3.28Å; F8-I11 PolarHBondContact O-N 2.98Å; F8-I11 VanDerWaalsContact O-N 3.08Å; F8-F12 WeakPolarHBondContact O-CD2 3.34Å; F8-F12 PolarHBondContact O-N 2.92Å; F8-V189 HydrophobicContact CB-CB 4.45Å; F8-V189 HydrophobicContact CB-CG1 3.8Å; F8-V189 HydrophobicContact CB-CG2 3.78Å |
| 9 | T | 91.5 | Very high | 89.5 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.4 | -40.4 | 173.6 | -62 | 0 | 0 | 0 | 0 | 111.1 | M5 F12 K13 H188 P192 | M5-T9 WeakPolarHBondContact O-CB 3.23Å; M5-T9 PolarHBondContact O-N 2.83Å; M5-T9 PolarHBondContact O-OG1 3.45Å; M5-T9 VanDerWaalsContact O-OG1 3.08Å; T9-F12 PolarHBondContact O-N 2.65Å; T9-K13 HydrophobicContact CG2-CD 4.49Å; T9-K13 WeakPolarHBondContact O-CG 3.06Å; T9-K13 PolarHBondContact O-N 2.69Å; T9-H188 WeakPolarHBondContact CG2-O 3.45Å; T9-H188 PolarHBondContact OG1-O 2.89Å; T9-P192 HydrophobicContact CG2-CG 4.25Å |
| 10 | F | 92.1 | Very high | 89.4 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 174.5 | 178.6 | -99.1 | 0 | 0 | 0 | 112.1 | N6 F7 F8 F12 K13 V14 | N6-F10 WeakPolarHBondContact O-CB 3.23Å; N6-F10 PolarHBondContact O-N 2.8Å; F7-F10 WeakPolarHBondContact O-CB 3.47Å; F7-F10 PolarHBondContact O-N 3.05Å; F8-F10 PolarHBondContact O-N 3.2Å; F10-F12 VanDerWaalsContact C-N 3.32Å; F10-F12 PolarHBondContact O-N 2.81Å; F10-K13 WeakPolarHBondContact O-CB 2.79Å; F10-K13 PolarHBondContact O-N 3.21Å; F10-V14 HydrophobicContact CD1-CG2 4.31Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CE2-CG2 4.34Å; F10-V14 HydrophobicContact CZ-CG2 3.88Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.05Å |
| 11 | I | 93.3 | Very high | 89.3 | Confident | 63 Ų | 63 | 82 Ų | 82 | 32% | 0.323 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55 | -49.3 | 174.5 | -68.8 | 168.8 | 0 | 0 | 0 | 110.6 | F7 F8 K13 V14 V15 | F7-I11 HydrophobicContact CD1-CD1 3.9Å; F7-I11 HydrophobicContact CE1-CD1 3.39Å; F7-I11 HydrophobicContact CE1-CG1 4.47Å; F7-I11 HydrophobicContact CE2-CD1 4.4Å; F7-I11 HydrophobicContact CZ-CD1 3.69Å; F7-I11 HydrophobicContact CZ-CG1 4.47Å; F7-I11 WeakPolarHBondContact O-CG1 3.13Å; F7-I11 PolarHBondContact O-N 3.26Å; F8-I11 HydrophobicContact CD1-CD1 4.35Å; F8-I11 WeakPolarHBondContact O-CB 3.28Å; F8-I11 PolarHBondContact O-N 2.98Å; F8-I11 VanDerWaalsContact O-N 3.08Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.31Å; I11-V14 WeakPolarHBondContact O-CB 3.48Å; I11-V14 PolarHBondContact O-N 3.46Å; I11-V14 VanDerWaalsContact O-N 3.13Å; I11-V15 HydrophobicContact CG2-CG2 4.4Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 3.34Å |
| 12 | F | 91.7 | Very high | 90 | Very high | 50 Ų | 50 | 78.5 Ų | 78.5 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.9 | -34.1 | -179.3 | -83.6 | -80.2 | 0 | 0 | 0 | 112.7 | F8 T9 F10 V15 T16 V189 L190 P192 I193 | F8-F12 WeakPolarHBondContact O-CD2 3.34Å; F8-F12 PolarHBondContact O-N 2.92Å; T9-F12 PolarHBondContact O-N 2.65Å; F10-F12 VanDerWaalsContact C-N 3.32Å; F10-F12 PolarHBondContact O-N 2.81Å; F12-V15 PolarHBondContact O-N 3.31Å; F12-T16 WeakPolarHBondContact O-CG2 3.35Å; F12-T16 PolarHBondContact O-N 3.26Å; F12-T16 PolarHBondContact O-OG1 2.89Å; F12-V189 WeakPolarHBondContact CB-O 3.47Å; F12-V189 HydrophobicContact CD2-CG1 3.47Å; F12-V189 VanDerWaalsContact CD2-CG1 3.47Å; F12-V189 HydrophobicContact CE2-CG1 3.48Å; F12-V189 VanDerWaalsContact CE2-CG1 3.48Å; F12-V189 HydrophobicContact CG-CG1 4.48Å; F12-V189 WeakPolarHBondContact CG-O 3.44Å; F12-L190 HydrophobicContact CD1-CD2 4.38Å; F12-L190 HydrophobicContact CE1-CD2 3.82Å; F12-L190 HydrophobicContact CE2-CD2 4.18Å; F12-L190 HydrophobicContact CZ-CD2 3.71Å; F12-P192 HydrophobicContact CB-CB 4.46Å; F12-P192 HydrophobicContact CB-CG 4.21Å; F12-I193 HydrophobicContact CD1-CD1 3.32Å; F12-I193 HydrophobicContact CD1-CG1 3.88Å; F12-I193 HydrophobicContact CE1-CD1 3.52Å |
| 13 | K | 91.3 | Very high | 90.1 | Very high | 118 Ų | 118 | 77.7 Ų | 77.7 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 170.2 | -75.5 | 178.9 | 176.9 | -175.4 | 0 | 111.8 | T9 F10 I11 T16 L17 P192 | T9-K13 HydrophobicContact CG2-CD 4.49Å; T9-K13 WeakPolarHBondContact O-CG 3.06Å; T9-K13 PolarHBondContact O-N 2.69Å; F10-K13 WeakPolarHBondContact O-CB 2.79Å; F10-K13 PolarHBondContact O-N 3.21Å; I11-K13 VanDerWaalsContact C-N 3.33Å; I11-K13 PolarHBondContact O-N 3.31Å; K13-T16 WeakPolarHBondContact CA-OG1 3.43Å; K13-T16 PolarHBondContact O-N 3.07Å; K13-T16 PolarHBondContact O-OG1 2.92Å; K13-L17 PolarHBondContact O-N 2.78Å; K13-P192 HydrophobicContact CG-CB 3.97Å; K13-P192 HydrophobicContact CG-CG 3.65Å |
| 14 | V | 92.2 | Very high | 90.1 | Very high | 69 Ų | 69 | 78.3 Ų | 78.3 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | F10 I11 T16 L17 | F10-V14 HydrophobicContact CD1-CG2 4.31Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CE2-CG2 4.34Å; F10-V14 HydrophobicContact CZ-CG2 3.88Å; F10-V14 WeakPolarHBondContact O-CG2 3.34Å; F10-V14 PolarHBondContact O-N 3.05Å; I11-V14 WeakPolarHBondContact O-CB 3.48Å; I11-V14 PolarHBondContact O-N 3.46Å; I11-V14 VanDerWaalsContact O-N 3.13Å; V14-T16 PolarHBondContact O-N 3Å; V14-L17 HydrophobicContact CB-CD1 4.48Å; V14-L17 HydrophobicContact CG1-CD1 4.08Å; V14-L17 VanDerWaalsContact O-CB 3.32Å; V14-L17 WeakPolarHBondContact O-CB 3.48Å; V14-L17 WeakPolarHBondContact O-CD1 3.42Å; V14-L17 VanDerWaalsContact O-CG 3.24Å; V14-L17 WeakPolarHBondContact O-CG 3.43Å; V14-L17 PolarHBondContact O-N 3.05Å; V14-L17 VanDerWaalsContact O-N 3.14Å |
| 15 | V | 92.7 | Very high | 90 | Very high | 89 Ų | 89 | 76.6 Ų | 76.6 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -32.9 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | I11 F12 L17 P18 | I11-V15 HydrophobicContact CG2-CG2 4.4Å; I11-V15 WeakPolarHBondContact O-CG2 3.47Å; I11-V15 PolarHBondContact O-N 3.34Å; F12-V15 PolarHBondContact O-N 3.31Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-P18 VanDerWaalsContact O-CD 3.3Å; V15-P18 WeakPolarHBondContact O-CD 3.33Å |
| 16 | T | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.3 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | F12 K13 V14 P18 L19 Q20 P192 I193 Y196 | F12-T16 WeakPolarHBondContact O-CG2 3.35Å; F12-T16 PolarHBondContact O-N 3.26Å; F12-T16 PolarHBondContact O-OG1 2.89Å; K13-T16 WeakPolarHBondContact CA-OG1 3.43Å; K13-T16 PolarHBondContact O-N 3.07Å; K13-T16 PolarHBondContact O-OG1 2.92Å; V14-T16 PolarHBondContact O-N 3Å; T16-P18 VanDerWaalsContact C-CD 3.42Å; T16-P18 VanDerWaalsContact C-N 3.31Å; T16-L19 HydrophobicContact CG2-CD1 4.3Å; T16-L19 WeakPolarHBondContact O-CA 3.5Å; T16-L19 WeakPolarHBondContact O-CB 3.32Å; T16-L19 PolarHBondContact O-N 3.43Å; T16-Q20 VanDerWaalsContact O-CG 3.22Å; T16-Q20 WeakPolarHBondContact O-CG 3.34Å; T16-Q20 PolarHBondContact O-N 2.85Å; T16-P192 HydrophobicContact CG2-CB 4.14Å; T16-I193 HydrophobicContact CG2-CB 4.38Å; T16-I193 HydrophobicContact CG2-CG1 3.62Å; T16-Y196 HydrophobicContact CG2-CD2 4.21Å; T16-Y196 HydrophobicContact CG2-CE2 4.46Å |
| 17 | L | 91.6 | Very high | 89.2 | Confident | 94 Ų | 94 | 78 Ų | 78 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -47.8 | -43.7 | 179.7 | -72.6 | 171.7 | 0 | 0 | 0 | 114 | K13 V14 V15 L19 Q20 L21 | K13-L17 PolarHBondContact O-N 2.78Å; V14-L17 HydrophobicContact CB-CD1 4.48Å; V14-L17 HydrophobicContact CG1-CD1 4.08Å; V14-L17 VanDerWaalsContact O-CB 3.32Å; V14-L17 WeakPolarHBondContact O-CB 3.48Å; V14-L17 WeakPolarHBondContact O-CD1 3.42Å; V14-L17 VanDerWaalsContact O-CG 3.24Å; V14-L17 WeakPolarHBondContact O-CG 3.43Å; V14-L17 PolarHBondContact O-N 3.05Å; V14-L17 VanDerWaalsContact O-N 3.14Å; V15-L17 VanDerWaalsContact C-N 3.35Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.01Å; L17-Q20 PolarHBondContact O-N 2.81Å; L17-L21 PolarHBondContact O-N 2.82Å |
| 18 | P | 90.4 | Very high | 88.5 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 53% | 0.532 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 175.6 | -22.9 | 35.5 | 0 | 0 | 0 | 113.4 | V15 T16 L21 M22 | V15-P18 VanDerWaalsContact O-CD 3.3Å; V15-P18 WeakPolarHBondContact O-CD 3.33Å; T16-P18 VanDerWaalsContact C-CD 3.42Å; T16-P18 VanDerWaalsContact C-N 3.31Å; P18-L21 PolarHBondContact O-N 3.13Å; P18-M22 VanDerWaalsContact O-CG 3.27Å; P18-M22 WeakPolarHBondContact O-CG 3.39Å; P18-M22 PolarHBondContact O-N 3.41Å |
| 19 | L | 88.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 177.1 | -60.3 | 177.2 | 0 | 0 | 0 | 111.3 | T16 L17 L21 M22 E23 Y196 F197 | T16-L19 HydrophobicContact CG2-CD1 4.3Å; T16-L19 WeakPolarHBondContact O-CA 3.5Å; T16-L19 WeakPolarHBondContact O-CB 3.32Å; T16-L19 PolarHBondContact O-N 3.43Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.01Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-M22 HydrophobicContact CD2-SD 4.2Å; L19-M22 WeakPolarHBondContact O-CB 3.31Å; L19-M22 PolarHBondContact O-N 3.35Å; L19-E23 PolarHBondContact O-N 3.01Å; L19-Y196 HydrophobicContact CB-CD1 3.88Å; L19-Y196 HydrophobicContact CB-CD2 3.93Å; L19-Y196 HydrophobicContact CB-CE1 4.16Å; L19-Y196 HydrophobicContact CB-CE2 4.23Å; L19-Y196 HydrophobicContact CB-CG 3.79Å; L19-Y196 HydrophobicContact CD1-CD2 3.99Å; L19-Y196 HydrophobicContact CD1-CG 3.94Å; L19-Y196 HydrophobicContact CG-CG 4.49Å; L19-F197 HydrophobicContact CD1-CE2 4.19Å |
| 20 | Q | 86.7 | Confident | 87.6 | Confident | 78 Ų | 78 | 76.8 Ų | 76.8 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.1 | -33.8 | -160.2 | -70.7 | 0 | 0 | 110.6 | T16 L17 M22 E23 V24 Y196 | T16-Q20 VanDerWaalsContact O-CG 3.22Å; T16-Q20 WeakPolarHBondContact O-CG 3.34Å; T16-Q20 PolarHBondContact O-N 2.85Å; L17-Q20 PolarHBondContact O-N 2.81Å; Q20-M22 PolarHBondContact O-N 3.18Å; Q20-E23 WeakPolarHBondContact O-CB 3.26Å; Q20-E23 PolarHBondContact O-N 3.25Å; Q20-V24 WeakPolarHBondContact O-CG2 3.06Å; Q20-V24 PolarHBondContact O-N 3.25Å; Q20-Y196 WeakPolarHBondContact CB-OH 3.5Å; Q20-Y196 HydrophobicContact CG-CE2 4.13Å; Q20-Y196 WeakPolarHBondContact CG-OH 3.19Å; Q20-Y196 PolarHBondContact NE2-OH 2.76Å |
| 21 | L | 87.4 | Confident | 87.3 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 58% | 0.581 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 175.2 | -174.5 | 65.5 | 0 | 0 | 0 | 111 | L17 P18 L19 E23 V24 V25 | L17-L21 PolarHBondContact O-N 2.82Å; P18-L21 PolarHBondContact O-N 3.13Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L21-E23 VanDerWaalsContact C-N 3.28Å; L21-E23 PolarHBondContact O-N 2.67Å; L21-V24 PolarHBondContact O-N 3.19Å; L21-V25 HydrophobicContact CD1-CG1 4.22Å; L21-V25 HydrophobicContact CG-CG1 4.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 2.9Å |
| 22 | M | 86.8 | Confident | 87 | Confident | 76 Ų | 76 | 73 Ų | 73 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.1 | -35.4 | 176 | -73.9 | 174.8 | 69 | 0 | 0 | 113.2 | P18 L19 Q20 G26 I27 Y28 | P18-M22 VanDerWaalsContact O-CG 3.27Å; P18-M22 WeakPolarHBondContact O-CG 3.39Å; P18-M22 PolarHBondContact O-N 3.41Å; L19-M22 HydrophobicContact CD2-SD 4.2Å; L19-M22 WeakPolarHBondContact O-CB 3.31Å; L19-M22 PolarHBondContact O-N 3.35Å; Q20-M22 PolarHBondContact O-N 3.18Å; M22-G26 PolarHBondContact O-N 3.4Å; M22-I27 HydrophobicContact CB-CB 4.31Å; M22-I27 HydrophobicContact CE-CB 4.47Å; M22-I27 HydrophobicContact CE-CG2 3.7Å; M22-I27 PolarHBondContact O-N 3.36Å; M22-Y28 PolarHBondContact O-N 3.17Å |
| 23 | E | 84.7 | Confident | 87 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 35% | 0.346 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -49.9 | 172.7 | -174.4 | 175.8 | -154.7 | 0 | 0 | 111 | L19 Q20 L21 V25 G26 Y196 | L19-E23 PolarHBondContact O-N 3.01Å; Q20-E23 WeakPolarHBondContact O-CB 3.26Å; Q20-E23 PolarHBondContact O-N 3.25Å; L21-E23 VanDerWaalsContact C-N 3.28Å; L21-E23 PolarHBondContact O-N 2.67Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.1Å; E23-G26 PolarHBondContact O-N 3.19Å; E23-G26 VanDerWaalsContact O-N 3.09Å; E23-Y196 HydrophobicContact CB-CE1 4.31Å; E23-Y196 VanDerWaalsContact OE2-CE1 3.22Å; E23-Y196 WeakPolarHBondContact OE2-CE1 3.42Å; E23-Y196 PolarHBondContact OE2-OH 3.49Å |
| 24 | V | 84.8 | Confident | 87.1 | Confident | 124 Ų | 124 | 78 Ų | 78 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 179.2 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | Q20 L21 G26 | Q20-V24 WeakPolarHBondContact O-CG2 3.06Å; Q20-V24 PolarHBondContact O-N 3.25Å; L21-V24 PolarHBondContact O-N 3.19Å; V24-G26 PolarHBondContact O-N 2.83Å |
| 25 | V | 86.6 | Confident | 87.1 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.8 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 113.5 | L21 E23 I27 | L21-V25 HydrophobicContact CD1-CG1 4.22Å; L21-V25 HydrophobicContact CG-CG1 4.46Å; L21-V25 WeakPolarHBondContact O-CG2 3.42Å; L21-V25 PolarHBondContact O-N 2.9Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 3.1Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 HydrophobicContact CG2-CB 4.37Å; V25-I27 HydrophobicContact CG2-CD1 3.53Å; V25-I27 HydrophobicContact CG2-CG1 3.66Å; V25-I27 PolarHBondContact O-N 3.36Å |
| 26 | G | 80.2 | Confident | 87.2 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 55% | 0.546 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | M22 E23 V24 Y28 G29 | M22-G26 PolarHBondContact O-N 3.4Å; E23-G26 PolarHBondContact O-N 3.19Å; E23-G26 VanDerWaalsContact O-N 3.09Å; V24-G26 PolarHBondContact O-N 2.83Å; G26-Y28 PolarHBondContact O-N 2.93Å; G26-G29 PolarHBondContact O-N 3.01Å; G26-G29 VanDerWaalsContact O-N 3.15Å |
| 27 | I | 81.5 | Confident | 87.4 | Confident | 84 Ų | 84 | 75.3 Ų | 75.3 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.2 | 177.6 | -62.2 | 173.5 | 0 | 0 | 0 | 110.7 | M22 V25 G29 I30 | M22-I27 HydrophobicContact CB-CB 4.31Å; M22-I27 HydrophobicContact CE-CB 4.47Å; M22-I27 HydrophobicContact CE-CG2 3.7Å; M22-I27 PolarHBondContact O-N 3.36Å; V25-I27 VanDerWaalsContact C-N 3.3Å; V25-I27 HydrophobicContact CG2-CB 4.37Å; V25-I27 HydrophobicContact CG2-CD1 3.53Å; V25-I27 HydrophobicContact CG2-CG1 3.66Å; V25-I27 PolarHBondContact O-N 3.36Å; I27-G29 PolarHBondContact O-N 3.49Å; I27-G29 VanDerWaalsContact O-N 3.08Å; I27-I30 PolarHBondContact O-N 3.3Å; I27-I30 VanDerWaalsContact O-N 3.08Å |
| 28 | Y | 80 | Confident | 87.5 | Confident | 26 Ų | 26 | 73.8 Ų | 73.8 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -18.5 | 176 | -160.5 | -100.7 | 0 | 0 | 0 | 113.7 | M22 G26 I30 Y31 K32 Y196 D199 | M22-Y28 PolarHBondContact O-N 3.17Å; G26-Y28 PolarHBondContact O-N 2.93Å; Y28-I30 PolarHBondContact O-N 3.48Å; Y28-Y31 HydrophobicContact CD1-CD1 4.39Å; Y28-Y31 HydrophobicContact CD2-CD1 4.27Å; Y28-Y31 AromaticContact CE1-CD1 3.75Å; Y28-Y31 HydrophobicContact CE1-CD1 3.75Å; Y28-Y31 HydrophobicContact CE1-CE1 4.29Å; Y28-Y31 AromaticContact CE2-CD1 3.61Å; Y28-Y31 HydrophobicContact CE2-CD1 3.61Å; Y28-Y31 HydrophobicContact CE2-CE1 4.12Å; Y28-Y31 HydrophobicContact CE2-CG 4.14Å; Y28-Y31 AromaticContact CZ-CD1 3.32Å; Y28-Y31 AromaticContact CZ-CE1 3.64Å; Y28-Y31 WeakPolarHBondContact O-CA 3.19Å; Y28-Y31 WeakPolarHBondContact O-CB 3.38Å; Y28-Y31 PolarHBondContact O-N 2.94Å; Y28-Y31 WeakPolarHBondContact OH-CD1 3.08Å; Y28-Y31 WeakPolarHBondContact OH-CE1 3.09Å; Y28-K32 HydrophobicContact CD1-CG 4.22Å; Y28-K32 HydrophobicContact CE1-CD 4.23Å; Y28-K32 HydrophobicContact CE1-CG 4.4Å; Y28-K32 PolarHBondContact O-N 3.41Å; Y28-Y196 HydrophobicContact CE2-CD1 4.14Å; Y28-Y196 PolarHBondContact OH-O 3.46Å; Y28-D199 PolarHBondContact OH-OD1 2.83Å |
| 29 | G | 80.3 | Confident | 87.8 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.1 | -28.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G26 I27 K32 R33 | G26-G29 PolarHBondContact O-N 3.01Å; G26-G29 VanDerWaalsContact O-N 3.15Å; I27-G29 PolarHBondContact O-N 3.49Å; I27-G29 VanDerWaalsContact O-N 3.08Å; G29-K32 PolarHBondContact O-N 2.74Å; G29-R33 PolarHBondContact O-N 2.98Å |
| 30 | I | 84.1 | Confident | 88.1 | Confident | 120 Ų | 120 | 72 Ų | 72 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 173.4 | -61.8 | 172.5 | 0 | 0 | 0 | 110 | I27 Y28 K32 R33 F34 | I27-I30 PolarHBondContact O-N 3.3Å; I27-I30 VanDerWaalsContact O-N 3.08Å; Y28-I30 PolarHBondContact O-N 3.48Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 2.89Å; I30-R33 WeakPolarHBondContact O-CB 3.33Å; I30-R33 PolarHBondContact O-N 3.42Å; I30-R33 VanDerWaalsContact O-N 3.12Å; I30-F34 PolarHBondContact O-N 2.94Å |
| 31 | Y | 86.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 18% | 0.184 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 176.3 | 175.4 | -100.2 | 0 | 0 | 0 | 111.2 | Y28 R33 F34 F35 F197 D199 | Y28-Y31 HydrophobicContact CD1-CD1 4.39Å; Y28-Y31 HydrophobicContact CD2-CD1 4.27Å; Y28-Y31 AromaticContact CE1-CD1 3.75Å; Y28-Y31 HydrophobicContact CE1-CD1 3.75Å; Y28-Y31 HydrophobicContact CE1-CE1 4.29Å; Y28-Y31 AromaticContact CE2-CD1 3.61Å; Y28-Y31 HydrophobicContact CE2-CD1 3.61Å; Y28-Y31 HydrophobicContact CE2-CE1 4.12Å; Y28-Y31 HydrophobicContact CE2-CG 4.14Å; Y28-Y31 AromaticContact CZ-CD1 3.32Å; Y28-Y31 AromaticContact CZ-CE1 3.64Å; Y28-Y31 WeakPolarHBondContact O-CA 3.19Å; Y28-Y31 WeakPolarHBondContact O-CB 3.38Å; Y28-Y31 PolarHBondContact O-N 2.94Å; Y28-Y31 WeakPolarHBondContact OH-CD1 3.08Å; Y28-Y31 WeakPolarHBondContact OH-CE1 3.09Å; Y31-R33 PolarHBondContact O-N 3.32Å; Y31-R33 VanDerWaalsContact O-N 3.13Å; Y31-F34 CarbonylContact O-C 3.46Å; Y31-F34 PolarHBondContact O-N 3.4Å; Y31-F35 HydrophobicContact CD1-CB 4.42Å; Y31-F35 HydrophobicContact CE1-CB 4.09Å; Y31-F35 AromaticContact CE1-CD2 3.86Å; Y31-F35 HydrophobicContact CE1-CD2 3.86Å; Y31-F35 HydrophobicContact CE1-CG 4.19Å; Y31-F35 HydrophobicContact CE2-CD2 4.49Å; Y31-F35 AromaticContact CZ-CD2 3.62Å; Y31-F35 WeakPolarHBondContact O-CB 3.41Å; Y31-F35 PolarHBondContact O-N 2.64Å; Y31-F35 WeakPolarHBondContact OH-CD2 3.49Å; Y31-F197 VanDerWaalsContact OH-C 3.26Å; Y31-F197 WeakPolarHBondContact OH-CA 3.19Å; Y31-F197 PolarHBondContact OH-O 3.39Å; Y31-D199 HydrophobicContact CE1-CB 4.47Å |
| 32 | K | 87.3 | Confident | 88.9 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 30% | 0.296 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.4 | -28.7 | 174.2 | -67.6 | -68.6 | -162.7 | -175.2 | 0 | 113.6 | Y28 G29 I30 P36 N99 D199 | Y28-K32 HydrophobicContact CD1-CG 4.22Å; Y28-K32 HydrophobicContact CE1-CD 4.23Å; Y28-K32 HydrophobicContact CE1-CG 4.4Å; Y28-K32 PolarHBondContact O-N 3.41Å; G29-K32 PolarHBondContact O-N 2.74Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 2.89Å; K32-P36 WeakPolarHBondContact O-CD 3.38Å; K32-N99 PolarHBondContact O-ND2 3.4Å; K32-D199 WeakPolarHBondContact CD-OD1 3.44Å; K32-D199 WeakPolarHBondContact CE-OD1 3.11Å; K32-D199 IonicContact NZ-OD1 2.61Å; K32-D199 PolarHBondContact NZ-OD1 3.23Å; K32-D199 IonicContact NZ-OD2 2.78Å; K32-D199 PolarHBondContact NZ-OD2 3.16Å |
| 33 | R | 92 | Very high | 89.3 | Confident | 164 Ų | 164 | 69.9 Ų | 69.9 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.3 | -34.8 | 174.9 | -71.4 | 172.5 | 180 | -178.3 | 3.1 | 113.2 | G29 I30 Y31 H101 | G29-R33 PolarHBondContact O-N 2.98Å; I30-R33 WeakPolarHBondContact O-CB 3.33Å; I30-R33 PolarHBondContact O-N 3.42Å; I30-R33 VanDerWaalsContact O-N 3.12Å; Y31-R33 PolarHBondContact O-N 3.32Å; Y31-R33 VanDerWaalsContact O-N 3.13Å; R33-H101 VanDerWaalsContact CG-NE2 3.33Å; R33-H101 WeakPolarHBondContact CG-NE2 3.13Å |
| 34 | F | 92 | Very high | 89.8 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 48% | 0.482 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -83.5 | -34.1 | 180 | -179.5 | -102.3 | 0 | 0 | 0 | 112.4 | I30 Y31 F37 L38 | I30-F34 PolarHBondContact O-N 2.94Å; Y31-F34 CarbonylContact O-C 3.46Å; Y31-F34 PolarHBondContact O-N 3.4Å; F34-F37 HydrophobicContact CD2-CD1 4.38Å; F34-F37 AromaticContact CE2-CD1 3.68Å; F34-F37 HydrophobicContact CE2-CD1 3.68Å; F34-F37 HydrophobicContact CE2-CE1 4.26Å; F34-F37 AromaticContact CZ-CD1 3.97Å; F34-F37 HydrophobicContact CZ-CD1 3.97Å; F34-F37 HydrophobicContact CZ-CE1 4.46Å; F34-F37 VanDerWaalsContact O-CB 3.27Å; F34-F37 WeakPolarHBondContact O-CB 3.47Å; F34-F37 PolarHBondContact O-N 3.1Å; F34-L38 HydrophobicContact CE1-CB 4.28Å; F34-L38 PolarHBondContact O-N 2.96Å |
| 35 | F | 92.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 69.7 Ų | 69.7 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -51.9 | -44.5 | -175.8 | 179.1 | -105.8 | 0 | 0 | 0 | 113.6 | Y31 F37 L38 I39 F102 D199 | Y31-F35 HydrophobicContact CD1-CB 4.42Å; Y31-F35 HydrophobicContact CE1-CB 4.09Å; Y31-F35 AromaticContact CE1-CD2 3.86Å; Y31-F35 HydrophobicContact CE1-CD2 3.86Å; Y31-F35 HydrophobicContact CE1-CG 4.19Å; Y31-F35 HydrophobicContact CE2-CD2 4.49Å; Y31-F35 AromaticContact CZ-CD2 3.62Å; Y31-F35 WeakPolarHBondContact O-CB 3.41Å; Y31-F35 PolarHBondContact O-N 2.64Å; Y31-F35 WeakPolarHBondContact OH-CD2 3.49Å; F35-F37 VanDerWaalsContact C-N 3.28Å; F35-F37 PolarHBondContact O-N 3.21Å; F35-L38 WeakPolarHBondContact O-CB 3.24Å; F35-L38 PolarHBondContact O-N 3.01Å; F35-I39 HydrophobicContact CD1-CG1 3.95Å; F35-I39 HydrophobicContact CD2-CD1 4.43Å; F35-I39 HydrophobicContact CD2-CG1 4.05Å; F35-I39 HydrophobicContact CE1-CD1 4.19Å; F35-I39 HydrophobicContact CE1-CG1 3.51Å; F35-I39 HydrophobicContact CE2-CD1 3.65Å; F35-I39 HydrophobicContact CE2-CG1 3.64Å; F35-I39 HydrophobicContact CG-CG1 4.21Å; F35-I39 HydrophobicContact CZ-CD1 3.5Å; F35-I39 HydrophobicContact CZ-CG1 3.35Å; F35-I39 WeakPolarHBondContact O-CG1 3.29Å; F35-I39 PolarHBondContact O-N 3.14Å; F35-F102 HydrophobicContact CD1-CE2 4.43Å; F35-F102 HydrophobicContact CD1-CZ 4.03Å; F35-F102 HydrophobicContact CE1-CZ 4.09Å; F35-D199 HydrophobicContact CD1-CB 3.93Å; F35-D199 HydrophobicContact CD2-CB 4.12Å; F35-D199 HydrophobicContact CE1-CB 3.44Å; F35-D199 VanDerWaalsContact CE1-CB 3.44Å; F35-D199 HydrophobicContact CE2-CB 3.65Å; F35-D199 HydrophobicContact CG-CB 4.23Å; F35-D199 HydrophobicContact CZ-CB 3.27Å |
| 36 | P | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -34.5 | 174.9 | -32.9 | 40.7 | 0 | 0 | 0 | 115.2 | K32 Y40 N99 H101 F102 Y105 | K32-P36 WeakPolarHBondContact O-CD 3.38Å; P36-Y40 WeakPolarHBondContact O-CB 3.47Å; P36-Y40 PolarHBondContact O-N 2.91Å; P36-N99 WeakPolarHBondContact CG-ND2 3.48Å; P36-H101 HydrophobicContact CG-CB 3.98Å; P36-F102 VanDerWaalsContact CA-CE1 3.42Å; P36-F102 HydrophobicContact CB-CD1 3.54Å; P36-F102 HydrophobicContact CB-CD2 4.48Å; P36-F102 HydrophobicContact CB-CE1 3.57Å; P36-F102 HydrophobicContact CB-CE2 4.49Å; P36-F102 HydrophobicContact CB-CG 4.02Å; P36-F102 HydrophobicContact CB-CZ 4.06Å; P36-F102 HydrophobicContact CG-CD1 3.97Å; P36-F102 HydrophobicContact CG-CD2 4.02Å; P36-F102 HydrophobicContact CG-CE1 3.91Å; P36-F102 HydrophobicContact CG-CE2 3.95Å; P36-F102 HydrophobicContact CG-CG 4.02Å; P36-F102 HydrophobicContact CG-CZ 3.89Å; P36-Y105 HydrophobicContact CB-CD2 3.69Å; P36-Y105 HydrophobicContact CB-CE2 3.49Å; P36-Y105 VanDerWaalsContact CB-CE2 3.49Å |
| 37 | F | 95.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 64.9 Ų | 64.9 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.3 | 173.6 | -103.9 | 0 | 0 | 0 | 111.3 | F34 F35 Y40 K41 Y105 | F34-F37 HydrophobicContact CD2-CD1 4.38Å; F34-F37 AromaticContact CE2-CD1 3.68Å; F34-F37 HydrophobicContact CE2-CD1 3.68Å; F34-F37 HydrophobicContact CE2-CE1 4.26Å; F34-F37 AromaticContact CZ-CD1 3.97Å; F34-F37 HydrophobicContact CZ-CD1 3.97Å; F34-F37 HydrophobicContact CZ-CE1 4.46Å; F34-F37 VanDerWaalsContact O-CB 3.27Å; F34-F37 WeakPolarHBondContact O-CB 3.47Å; F34-F37 PolarHBondContact O-N 3.1Å; F35-F37 VanDerWaalsContact C-N 3.28Å; F35-F37 PolarHBondContact O-N 3.21Å; F37-Y40 PolarHBondContact O-N 2.78Å; F37-K41 HydrophobicContact CE1-CG 4.47Å; F37-K41 HydrophobicContact CE2-CG 4.3Å; F37-K41 HydrophobicContact CZ-CG 4.19Å; F37-K41 WeakPolarHBondContact O-CG 3.34Å; F37-K41 PolarHBondContact O-N 3.09Å; F37-K41 VanDerWaalsContact O-N 3.13Å; F37-Y105 WeakPolarHBondContact CA-OH 3.5Å; F37-Y105 WeakPolarHBondContact CB-OH 3.14Å; F37-Y105 HydrophobicContact CD2-CE1 4.4Å |
| 38 | L | 95.1 | Very high | 92.2 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 32% | 0.319 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -49 | 179.5 | -179.8 | 63.4 | 0 | 0 | 0 | 110.8 | F34 F35 Y40 K41 I42 | F34-L38 HydrophobicContact CE1-CB 4.28Å; F34-L38 PolarHBondContact O-N 2.96Å; F35-L38 WeakPolarHBondContact O-CB 3.24Å; F35-L38 PolarHBondContact O-N 3.01Å; L38-Y40 PolarHBondContact O-N 2.87Å; L38-K41 PolarHBondContact O-N 2.83Å; L38-K41 VanDerWaalsContact O-N 3.12Å; L38-I42 HydrophobicContact CD1-CD1 3.75Å; L38-I42 HydrophobicContact CD1-CG1 4.24Å; L38-I42 HydrophobicContact CD2-CD1 4.42Å; L38-I42 HydrophobicContact CG-CD1 3.74Å; L38-I42 HydrophobicContact CG-CG1 4.5Å; L38-I42 WeakPolarHBondContact O-CG1 3.21Å; L38-I42 PolarHBondContact O-N 3.29Å |
| 39 | I | 95.2 | Very high | 93 | Very high | 51 Ų | 51 | 72.9 Ų | 72.9 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 178.2 | -67.7 | -54.7 | 0 | 0 | 0 | 111.4 | F35 K41 I42 S43 F102 | F35-I39 HydrophobicContact CD1-CG1 3.95Å; F35-I39 HydrophobicContact CD2-CD1 4.43Å; F35-I39 HydrophobicContact CD2-CG1 4.05Å; F35-I39 HydrophobicContact CE1-CD1 4.19Å; F35-I39 HydrophobicContact CE1-CG1 3.51Å; F35-I39 HydrophobicContact CE2-CD1 3.65Å; F35-I39 HydrophobicContact CE2-CG1 3.64Å; F35-I39 HydrophobicContact CG-CG1 4.21Å; F35-I39 HydrophobicContact CZ-CD1 3.5Å; F35-I39 HydrophobicContact CZ-CG1 3.35Å; F35-I39 WeakPolarHBondContact O-CG1 3.29Å; F35-I39 PolarHBondContact O-N 3.14Å; I39-K41 PolarHBondContact O-N 2.89Å; I39-I42 PolarHBondContact O-N 3.1Å; I39-S43 VanDerWaalsContact O-CB 3.31Å; I39-S43 WeakPolarHBondContact O-CB 3.38Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.06Å; I39-F102 HydrophobicContact CB-CE1 4.09Å; I39-F102 HydrophobicContact CB-CZ 4.3Å; I39-F102 HydrophobicContact CG1-CZ 4.43Å; I39-F102 HydrophobicContact CG2-CE1 4Å; I39-F102 HydrophobicContact CG2-CZ 4.3Å |
| 40 | Y | 96.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -35.4 | 175.5 | 176.7 | -110 | 0 | 0 | 0 | 112.9 | P36 F37 L38 S43 F44 Y105 | P36-Y40 WeakPolarHBondContact O-CB 3.47Å; P36-Y40 PolarHBondContact O-N 2.91Å; F37-Y40 PolarHBondContact O-N 2.78Å; L38-Y40 PolarHBondContact O-N 2.87Å; Y40-S43 PolarHBondContact O-OG 3.33Å; Y40-F44 HydrophobicContact CD1-CE2 4.17Å; Y40-F44 HydrophobicContact CD2-CE2 4.27Å; Y40-F44 HydrophobicContact CD2-CZ 4.43Å; Y40-F44 AromaticContact CE1-CE2 3.82Å; Y40-F44 HydrophobicContact CE1-CE2 3.82Å; Y40-F44 HydrophobicContact CE1-CZ 4.14Å; Y40-F44 AromaticContact CE2-CE2 3.98Å; Y40-F44 HydrophobicContact CE2-CE2 3.98Å; Y40-F44 AromaticContact CE2-CZ 3.76Å; Y40-F44 HydrophobicContact CE2-CZ 3.76Å; Y40-F44 HydrophobicContact CG-CE2 4.4Å; Y40-F44 AromaticContact CZ-CE2 3.73Å; Y40-F44 AromaticContact CZ-CZ 3.59Å; Y40-F44 WeakPolarHBondContact O-CD2 3.48Å; Y40-F44 WeakPolarHBondContact O-CE2 3.43Å; Y40-Y105 AromaticContact CD1-CD1 3.53Å; Y40-Y105 HydrophobicContact CD1-CD1 3.53Å; Y40-Y105 AromaticContact CD1-CE1 3.8Å; Y40-Y105 HydrophobicContact CD1-CE1 3.8Å; Y40-Y105 AromaticContact CD2-CD1 3.86Å; Y40-Y105 HydrophobicContact CD2-CD1 3.86Å; Y40-Y105 HydrophobicContact CD2-CG 4.34Å; Y40-Y105 HydrophobicContact CE1-CD1 4.16Å; Y40-Y105 HydrophobicContact CE2-CD1 4.41Å; Y40-Y105 AromaticContact CG-CD1 3.34Å; Y40-Y105 HydrophobicContact CG-CD1 3.34Å; Y40-Y105 AromaticContact CG-CE1 3.96Å; Y40-Y105 HydrophobicContact CG-CE1 3.96Å; Y40-Y105 HydrophobicContact CG-CG 4.09Å |
| 41 | K | 95.8 | Very high | 94.5 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 50% | 0.504 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.2 | -41.5 | 176.7 | -71.9 | -67.1 | -170.1 | 176.2 | 0 | 112.4 | F37 L38 I39 S43 | F37-K41 HydrophobicContact CE1-CG 4.47Å; F37-K41 HydrophobicContact CE2-CG 4.3Å; F37-K41 HydrophobicContact CZ-CG 4.19Å; F37-K41 WeakPolarHBondContact O-CG 3.34Å; F37-K41 PolarHBondContact O-N 3.09Å; F37-K41 VanDerWaalsContact O-N 3.13Å; L38-K41 PolarHBondContact O-N 2.83Å; L38-K41 VanDerWaalsContact O-N 3.12Å; I39-K41 PolarHBondContact O-N 2.89Å; K41-S43 VanDerWaalsContact C-N 3.34Å |
| 42 | I | 94.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 70 Ų | 70 | 45% | 0.451 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.6 | -34.4 | -179.5 | -67.7 | 173.4 | 0 | 0 | 0 | 111.1 | L38 I39 F44 T45 Y46 | L38-I42 HydrophobicContact CD1-CD1 3.75Å; L38-I42 HydrophobicContact CD1-CG1 4.24Å; L38-I42 HydrophobicContact CD2-CD1 4.42Å; L38-I42 HydrophobicContact CG-CD1 3.74Å; L38-I42 HydrophobicContact CG-CG1 4.5Å; L38-I42 WeakPolarHBondContact O-CG1 3.21Å; L38-I42 PolarHBondContact O-N 3.29Å; I39-I42 PolarHBondContact O-N 3.1Å; I42-F44 VanDerWaalsContact C-N 3.27Å; I42-F44 PolarHBondContact O-N 2.81Å; I42-T45 PolarHBondContact O-N 2.86Å; I42-Y46 PolarHBondContact O-N 3.07Å |
| 43 | S | 94.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.3 | -35.4 | -176.3 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | I39 Y40 K41 T45 Y46 N47 S80 | I39-S43 VanDerWaalsContact O-CB 3.31Å; I39-S43 WeakPolarHBondContact O-CB 3.38Å; I39-S43 PolarHBondContact O-N 3.3Å; I39-S43 PolarHBondContact O-OG 3.06Å; Y40-S43 PolarHBondContact O-OG 3.33Å; K41-S43 VanDerWaalsContact C-N 3.34Å; S43-T45 PolarHBondContact O-N 2.97Å; S43-Y46 PolarHBondContact O-N 2.92Å; S43-N47 WeakPolarHBondContact O-CB 3.42Å; S43-N47 PolarHBondContact O-N 2.97Å; S43-S80 PolarHBondContact OG-OG 2.79Å |
| 44 | F | 94.5 | Very high | 95.9 | Very high | 111 Ų | 111 | 62.6 Ų | 62.6 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 173.3 | -65.8 | -69.6 | 0 | 0 | 0 | 112.7 | Y40 I42 K48 | Y40-F44 HydrophobicContact CD1-CE2 4.17Å; Y40-F44 HydrophobicContact CD2-CE2 4.27Å; Y40-F44 HydrophobicContact CD2-CZ 4.43Å; Y40-F44 AromaticContact CE1-CE2 3.82Å; Y40-F44 HydrophobicContact CE1-CE2 3.82Å; Y40-F44 HydrophobicContact CE1-CZ 4.14Å; Y40-F44 AromaticContact CE2-CE2 3.98Å; Y40-F44 HydrophobicContact CE2-CE2 3.98Å; Y40-F44 AromaticContact CE2-CZ 3.76Å; Y40-F44 HydrophobicContact CE2-CZ 3.76Å; Y40-F44 HydrophobicContact CG-CE2 4.4Å; Y40-F44 AromaticContact CZ-CE2 3.73Å; Y40-F44 AromaticContact CZ-CZ 3.59Å; Y40-F44 WeakPolarHBondContact O-CD2 3.48Å; Y40-F44 WeakPolarHBondContact O-CE2 3.43Å; I42-F44 VanDerWaalsContact C-N 3.27Å; I42-F44 PolarHBondContact O-N 2.81Å; F44-K48 WeakPolarHBondContact O-CB 3.31Å; F44-K48 PolarHBondContact O-N 3.03Å |
| 45 | T | 95.4 | Very high | 96.2 | Very high | 83 Ų | 83 | 63 Ų | 63 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 178.7 | -60 | 0 | 0 | 0 | 0 | 110.8 | I42 S43 K48 K49 | I42-T45 PolarHBondContact O-N 2.86Å; S43-T45 PolarHBondContact O-N 2.97Å; T45-K48 PolarHBondContact O-N 3.28Å; T45-K49 HydrophobicContact CG2-CD 4.39Å; T45-K49 WeakPolarHBondContact O-CG 3.28Å; T45-K49 PolarHBondContact O-N 3.38Å; T45-K49 VanDerWaalsContact O-N 3.12Å |
| 46 | Y | 95.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 65.9 Ų | 65.9 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 175 | -178.2 | -85.6 | 0 | 0 | 0 | 111.2 | I42 S43 K48 K49 M50 L144 L172 L228 | I42-Y46 PolarHBondContact O-N 3.07Å; S43-Y46 PolarHBondContact O-N 2.92Å; Y46-K48 VanDerWaalsContact C-N 3.33Å; Y46-K48 PolarHBondContact O-N 2.7Å; Y46-K49 PolarHBondContact O-N 2.9Å; Y46-K49 VanDerWaalsContact O-N 3.1Å; Y46-M50 HydrophobicContact CD1-CB 4.39Å; Y46-M50 HydrophobicContact CD1-CG 4.15Å; Y46-M50 HydrophobicContact CD2-CG 4.5Å; Y46-M50 HydrophobicContact CE1-CB 4.03Å; Y46-M50 HydrophobicContact CE1-CG 3.69Å; Y46-M50 HydrophobicContact CE2-CG 4.11Å; Y46-M50 WeakPolarHBondContact O-CB 3.31Å; Y46-M50 PolarHBondContact O-N 2.93Å; Y46-L144 HydrophobicContact CE1-CD1 4.19Å; Y46-L144 HydrophobicContact CE2-CD1 3.81Å; Y46-L172 WeakPolarHBondContact OH-CD2 3.46Å; Y46-L228 HydrophobicContact CD2-CD1 3.79Å; Y46-L228 HydrophobicContact CD2-CD2 4.11Å; Y46-L228 HydrophobicContact CE2-CD1 3.34Å; Y46-L228 HydrophobicContact CE2-CD2 4.44Å |
| 47 | N | 96.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 178.6 | -81 | 6.3 | 0 | 0 | 0 | 112.1 | S43 K49 M50 N51 K54 A82 E85 | S43-N47 WeakPolarHBondContact O-CB 3.42Å; S43-N47 PolarHBondContact O-N 2.97Å; N47-K49 VanDerWaalsContact C-N 3.3Å; N47-K49 PolarHBondContact O-N 2.71Å; N47-M50 CarbonylContact O-C 3.47Å; N47-M50 PolarHBondContact O-N 3.33Å; N47-N51 WeakPolarHBondContact O-CA 3.34Å; N47-N51 VanDerWaalsContact O-CB 3.32Å; N47-N51 WeakPolarHBondContact O-CB 3.47Å; N47-N51 PolarHBondContact O-N 3.07Å; N47-K54 PolarHBondContact OD1-NZ 3.23Å; N47-A82 PolarHBondContact ND2-O 2.87Å; N47-A82 PolarHBondContact OD1-O 3.19Å; N47-E85 PolarHBondContact ND2-OE1 3.29Å |
| 48 | K | 97.3 | Very high | 96.7 | Very high | 177 Ų | 177 | 62.2 Ų | 62.2 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58 | -43.8 | 174.5 | -177 | 175.8 | 179.5 | 176.7 | 0 | 111.7 | F44 T45 Y46 | F44-K48 WeakPolarHBondContact O-CB 3.31Å; F44-K48 PolarHBondContact O-N 3.03Å; T45-K48 PolarHBondContact O-N 3.28Å; Y46-K48 VanDerWaalsContact C-N 3.33Å; Y46-K48 PolarHBondContact O-N 2.7Å |
| 49 | K | 97.2 | Very high | 96.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.5 | -33.1 | -179.7 | -73.5 | -179.2 | 170.2 | -163.2 | 0 | 113.2 | T45 Y46 N47 P227 L228 | T45-K49 HydrophobicContact CG2-CD 4.39Å; T45-K49 WeakPolarHBondContact O-CG 3.28Å; T45-K49 PolarHBondContact O-N 3.38Å; T45-K49 VanDerWaalsContact O-N 3.12Å; Y46-K49 PolarHBondContact O-N 2.9Å; Y46-K49 VanDerWaalsContact O-N 3.1Å; N47-K49 VanDerWaalsContact C-N 3.3Å; N47-K49 PolarHBondContact O-N 2.71Å; K49-P227 HydrophobicContact CB-CG 4.22Å; K49-P227 WeakPolarHBondContact CD-O 3.27Å; K49-P227 VanDerWaalsContact O-CG 3.28Å; K49-P227 WeakPolarHBondContact O-CG 3.18Å; K49-L228 HydrophobicContact CB-CD2 4.22Å; K49-L228 HydrophobicContact CD-CD2 3.77Å |
| 50 | M | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -97.9 | 6.1 | -177.8 | -65 | -61.2 | -73 | 0 | 0 | 113.4 | Y46 N47 D52 K53 K54 L172 I224 A226 P227 | Y46-M50 HydrophobicContact CD1-CB 4.39Å; Y46-M50 HydrophobicContact CD1-CG 4.15Å; Y46-M50 HydrophobicContact CD2-CG 4.5Å; Y46-M50 HydrophobicContact CE1-CB 4.03Å; Y46-M50 HydrophobicContact CE1-CG 3.69Å; Y46-M50 HydrophobicContact CE2-CG 4.11Å; Y46-M50 WeakPolarHBondContact O-CB 3.31Å; Y46-M50 PolarHBondContact O-N 2.93Å; N47-M50 CarbonylContact O-C 3.47Å; N47-M50 PolarHBondContact O-N 3.33Å; M50-D52 PolarHBondContact O-N 3.47Å; M50-K53 HydrophobicContact CE-CB 4.09Å; M50-K53 HydrophobicContact CE-CG 4.33Å; M50-K53 WeakPolarHBondContact O-CB 3.48Å; M50-K53 PolarHBondContact O-N 3.4Å; M50-K54 HydrophobicContact CB-CD 4.11Å; M50-K54 HydrophobicContact CB-CG 4.11Å; M50-K54 WeakPolarHBondContact O-CG 3.36Å; M50-K54 PolarHBondContact O-N 3.2Å; M50-L172 HydrophobicContact CE-CD1 4.08Å; M50-L172 HydrophobicContact CE-CD2 4.38Å; M50-I224 HydrophobicContact CE-CD1 4.11Å; M50-A226 HydrophobicContact CE-CB 4.07Å; M50-A226 HydrophobicContact SD-CB 3.71Å; M50-P227 HydrophobicContact SD-CG 4.44Å |
| 51 | N | 98 | Very high | 96.9 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.8 | -54.4 | -167.2 | -168.1 | -98 | 0 | 0 | 0 | 112.6 | N47 K53 K54 K55 | N47-N51 WeakPolarHBondContact O-CA 3.34Å; N47-N51 VanDerWaalsContact O-CB 3.32Å; N47-N51 WeakPolarHBondContact O-CB 3.47Å; N47-N51 PolarHBondContact O-N 3.07Å; N51-K53 VanDerWaalsContact C-N 3.26Å; N51-K53 PolarHBondContact O-N 2.93Å; N51-K54 PolarHBondContact O-N 3.25Å; N51-K55 WeakPolarHBondContact O-CB 3.39Å; N51-K55 WeakPolarHBondContact O-CG 3.27Å; N51-K55 PolarHBondContact O-N 3.01Å; N51-K55 WeakPolarHBondContact OD1-CD 3.33Å; N51-K55 WeakPolarHBondContact OD1-CE 3.28Å; N51-K55 PolarHBondContact OD1-NZ 3.13Å |
| 52 | D | 97.8 | Very high | 96.9 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.2 | -36.2 | -179.1 | -52.7 | -31.7 | 0 | 0 | 0 | 112 | M50 D56 | M50-D52 PolarHBondContact O-N 3.47Å; D52-D56 VanDerWaalsContact O-CB 3.31Å; D52-D56 WeakPolarHBondContact O-CB 3.15Å; D52-D56 PolarHBondContact O-N 3.27Å |
| 53 | K | 98.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72 | -38.9 | -177.2 | -71.3 | 70 | 178.4 | 162.5 | 0 | 110.2 | M50 N51 L57 I224 I237 | M50-K53 HydrophobicContact CE-CB 4.09Å; M50-K53 HydrophobicContact CE-CG 4.33Å; M50-K53 WeakPolarHBondContact O-CB 3.48Å; M50-K53 PolarHBondContact O-N 3.4Å; N51-K53 VanDerWaalsContact C-N 3.26Å; N51-K53 PolarHBondContact O-N 2.93Å; K53-L57 VanDerWaalsContact O-CB 3.27Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 PolarHBondContact O-N 3.49Å; K53-I224 HydrophobicContact CG-CD1 4.09Å; K53-I237 HydrophobicContact CB-CD1 4.09Å; K53-I237 WeakPolarHBondContact O-CD1 3.48Å |
| 54 | K | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 176.3 | -66.3 | -176.6 | 73.3 | 173.1 | 0 | 111.6 | N47 M50 N51 L57 F58 A82 N83 F86 L172 | N47-K54 PolarHBondContact OD1-NZ 3.23Å; M50-K54 HydrophobicContact CB-CD 4.11Å; M50-K54 HydrophobicContact CB-CG 4.11Å; M50-K54 WeakPolarHBondContact O-CG 3.36Å; M50-K54 PolarHBondContact O-N 3.2Å; N51-K54 PolarHBondContact O-N 3.25Å; K54-L57 PolarHBondContact O-N 3.25Å; K54-F58 HydrophobicContact CB-CD2 4.35Å; K54-F58 HydrophobicContact CB-CE2 4.41Å; K54-F58 WeakPolarHBondContact O-CB 3.49Å; K54-F58 WeakPolarHBondContact O-CD2 3.46Å; K54-F58 PolarHBondContact O-N 3.07Å; K54-A82 PolarHBondContact NZ-O 2.96Å; K54-N83 WeakPolarHBondContact CE-OD1 3.41Å; K54-N83 PolarHBondContact NZ-OD1 3.35Å; K54-F86 HydrophobicContact CB-CD1 3.75Å; K54-F86 HydrophobicContact CB-CD2 3.96Å; K54-F86 HydrophobicContact CB-CE1 3.65Å; K54-F86 HydrophobicContact CB-CE2 3.89Å; K54-F86 HydrophobicContact CB-CG 3.91Å; K54-F86 HydrophobicContact CB-CZ 3.74Å; K54-F86 HydrophobicContact CD-CD2 4.18Å; K54-F86 HydrophobicContact CD-CE2 3.6Å; K54-F86 HydrophobicContact CD-CZ 3.88Å; K54-F86 HydrophobicContact CG-CE2 4.38Å; K54-F86 HydrophobicContact CG-CZ 4.4Å; K54-L172 HydrophobicContact CG-CD1 4.12Å |
| 55 | K | 98.2 | Very high | 97 | Very high | 118 Ų | 118 | 57.7 Ų | 57.7 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 171.2 | -78.6 | 177.3 | 172.8 | 163.2 | 0 | 111.6 | N51 S59 F86 | N51-K55 WeakPolarHBondContact O-CB 3.39Å; N51-K55 WeakPolarHBondContact O-CG 3.27Å; N51-K55 PolarHBondContact O-N 3.01Å; N51-K55 WeakPolarHBondContact OD1-CD 3.33Å; N51-K55 WeakPolarHBondContact OD1-CE 3.28Å; N51-K55 PolarHBondContact OD1-NZ 3.13Å; K55-S59 WeakPolarHBondContact O-CA 3.47Å; K55-S59 WeakPolarHBondContact O-CB 3.31Å; K55-S59 PolarHBondContact O-N 2.83Å; K55-F86 HydrophobicContact CG-CD1 3.76Å; K55-F86 HydrophobicContact CG-CE1 3.95Å |
| 56 | D | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 60.5 Ų | 60.5 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 175.7 | -179.2 | 63.8 | 0 | 0 | 0 | 111.4 | D52 F58 S59 R222 | D52-D56 VanDerWaalsContact O-CB 3.31Å; D52-D56 WeakPolarHBondContact O-CB 3.15Å; D52-D56 PolarHBondContact O-N 3.27Å; D56-F58 VanDerWaalsContact C-N 3.33Å; D56-F58 PolarHBondContact O-N 2.91Å; D56-S59 WeakPolarHBondContact O-CB 3.4Å; D56-S59 PolarHBondContact O-N 3.08Å; D56-S59 PolarHBondContact O-OG 3.45Å; D56-R222 IonicContact OD2-CZ 3.59Å; D56-R222 IonicContact OD2-NH1 2.83Å; D56-R222 PolarHBondContact OD2-NH1 2.99Å; D56-R222 IonicContact OD2-NH2 3.61Å; D56-R222 PolarHBondContact OD2-NH2 3.13Å |
| 57 | L | 98.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 178.8 | 173.2 | 62.2 | 0 | 0 | 0 | 112.4 | K53 K54 Y170 L172 I237 G238 | K53-L57 VanDerWaalsContact O-CB 3.27Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 PolarHBondContact O-N 3.49Å; K54-L57 PolarHBondContact O-N 3.25Å; L57-Y170 HydrophobicContact CD1-CD1 3.7Å; L57-Y170 HydrophobicContact CD1-CE1 4.39Å; L57-Y170 HydrophobicContact CG-CD1 4.11Å; L57-Y170 WeakPolarHBondContact O-CE1 3.43Å; L57-L172 HydrophobicContact CD2-CB 4.01Å; L57-L172 HydrophobicContact CD2-CD1 4.18Å; L57-I237 HydrophobicContact CB-CD1 3.82Å; L57-I237 HydrophobicContact CB-CG1 4.03Å; L57-I237 HydrophobicContact CD1-CG1 3.8Å; L57-I237 HydrophobicContact CD2-CD1 4.13Å; L57-I237 HydrophobicContact CD2-CG1 3.9Å; L57-I237 HydrophobicContact CG-CD1 4.38Å; L57-I237 HydrophobicContact CG-CG1 4.12Å; L57-G238 WeakPolarHBondContact CD1-O 3.45Å |
| 58 | F | 98.5 | Very high | 95.6 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -93.5 | 2 | -173.1 | -64.1 | -55.2 | 0 | 0 | 0 | 113.8 | K54 D56 N60 L61 N83 F86 Y87 V141 T143 Y170 | K54-F58 HydrophobicContact CB-CD2 4.35Å; K54-F58 HydrophobicContact CB-CE2 4.41Å; K54-F58 WeakPolarHBondContact O-CB 3.49Å; K54-F58 WeakPolarHBondContact O-CD2 3.46Å; K54-F58 PolarHBondContact O-N 3.07Å; D56-F58 VanDerWaalsContact C-N 3.33Å; D56-F58 PolarHBondContact O-N 2.91Å; F58-N60 PolarHBondContact O-N 3.49Å; F58-N60 VanDerWaalsContact O-N 3.17Å; F58-L61 HydrophobicContact CB-CD1 3.71Å; F58-L61 HydrophobicContact CB-CG 4.15Å; F58-L61 HydrophobicContact CD1-CD1 3.64Å; F58-L61 HydrophobicContact CD1-CD2 4.36Å; F58-L61 HydrophobicContact CD1-CG 4.02Å; F58-L61 HydrophobicContact CG-CD1 3.98Å; F58-L61 WeakPolarHBondContact O-CB 3.5Å; F58-L61 WeakPolarHBondContact O-CG 3.21Å; F58-L61 PolarHBondContact O-N 2.87Å; F58-N83 HydrophobicContact CE2-CB 4.11Å; F58-N83 HydrophobicContact CZ-CB 4.18Å; F58-F86 HydrophobicContact CB-CB 4.17Å; F58-F86 HydrophobicContact CD2-CB 3.5Å; F58-F86 VanDerWaalsContact CD2-CB 3.5Å; F58-F86 HydrophobicContact CD2-CG 4.15Å; F58-F86 HydrophobicContact CE2-CB 4.29Å; F58-F86 HydrophobicContact CG-CB 4.21Å; F58-Y87 HydrophobicContact CD1-CD1 4.38Å; F58-Y87 AromaticContact CD1-CE1 3.96Å; F58-Y87 HydrophobicContact CD1-CE1 3.96Å; F58-Y87 HydrophobicContact CD2-CE1 4.36Å; F58-Y87 AromaticContact CE1-CE1 3.83Å; F58-Y87 HydrophobicContact CE1-CE1 3.83Å; F58-Y87 HydrophobicContact CE2-CE1 4.23Å; F58-Y87 HydrophobicContact CG-CD1 4.35Å; F58-Y87 HydrophobicContact CG-CE1 4.22Å; F58-Y87 AromaticContact CZ-CE1 3.96Å; F58-Y87 HydrophobicContact CZ-CE1 3.96Å; F58-V141 HydrophobicContact CE1-CG1 3.92Å; F58-V141 HydrophobicContact CE1-CG2 4.1Å; F58-V141 HydrophobicContact CZ-CG1 3.9Å; F58-T143 HydrophobicContact CZ-CG2 4.25Å; F58-Y170 HydrophobicContact CD1-CD1 4.1Å; F58-Y170 HydrophobicContact CE1-CD1 4.31Å; F58-Y170 HydrophobicContact CE1-CG 4.47Å |
| 59 | S | 97.6 | Very high | 95.2 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 58% | 0.58 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -29.9 | -175 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | K55 D56 | K55-S59 WeakPolarHBondContact O-CA 3.47Å; K55-S59 WeakPolarHBondContact O-CB 3.31Å; K55-S59 PolarHBondContact O-N 2.83Å; D56-S59 WeakPolarHBondContact O-CB 3.4Å; D56-S59 PolarHBondContact O-N 3.08Å; D56-S59 PolarHBondContact O-OG 3.45Å |
| 60 | N | 96.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 12.3 | -176.8 | 78.3 | -40.4 | 0 | 0 | 0 | 113.8 | F58 S62 E63 Y170 | F58-N60 PolarHBondContact O-N 3.49Å; F58-N60 VanDerWaalsContact O-N 3.17Å; N60-S62 PolarHBondContact O-N 2.8Å; N60-E63 HydrophobicContact CB-CG 4.26Å; N60-E63 WeakPolarHBondContact O-CB 3.43Å; N60-E63 WeakPolarHBondContact O-CG 3.3Å; N60-E63 PolarHBondContact O-N 2.83Å; N60-E63 VanDerWaalsContact O-N 3.1Å; N60-Y170 PolarHBondContact ND2-OH 3.28Å; N60-Y170 WeakPolarHBondContact OD1-CE1 3.34Å; N60-Y170 PolarHBondContact OD1-OH 3.1Å |
| 61 | L | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -54.2 | -38.5 | 179.6 | -87.2 | 176.5 | 0 | 0 | 0 | 113.1 | F58 E63 F64 L71 I73 Y87 P88 V139 Y170 | F58-L61 HydrophobicContact CB-CD1 3.71Å; F58-L61 HydrophobicContact CB-CG 4.15Å; F58-L61 HydrophobicContact CD1-CD1 3.64Å; F58-L61 HydrophobicContact CD1-CD2 4.36Å; F58-L61 HydrophobicContact CD1-CG 4.02Å; F58-L61 HydrophobicContact CG-CD1 3.98Å; F58-L61 WeakPolarHBondContact O-CB 3.5Å; F58-L61 WeakPolarHBondContact O-CG 3.21Å; F58-L61 PolarHBondContact O-N 2.87Å; L61-E63 PolarHBondContact O-N 2.9Å; L61-F64 PolarHBondContact O-N 2.9Å; L61-L71 HydrophobicContact CB-CD2 4.04Å; L61-L71 WeakPolarHBondContact O-CD2 3.37Å; L61-I73 HydrophobicContact CD1-CD1 4.33Å; L61-Y87 HydrophobicContact CD1-CD1 3.47Å; L61-Y87 VanDerWaalsContact CD1-CD1 3.47Å; L61-Y87 HydrophobicContact CD1-CE1 3.99Å; L61-Y87 HydrophobicContact CD1-CG 4.32Å; L61-P88 HydrophobicContact CB-CG 3.93Å; L61-V139 HydrophobicContact CD2-CB 4.28Å; L61-V139 HydrophobicContact CD2-CG1 3.67Å; L61-V139 HydrophobicContact CD2-CG2 3.94Å; L61-Y170 HydrophobicContact CD2-CD1 4.46Å; L61-Y170 HydrophobicContact CD2-CD2 3.89Å; L61-Y170 HydrophobicContact CD2-CE1 4.24Å; L61-Y170 HydrophobicContact CD2-CE2 3.6Å; L61-Y170 HydrophobicContact CD2-CG 4.29Å |
| 62 | S | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -64.8 | -22.9 | -177.5 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | N60 F64 T65 | N60-S62 PolarHBondContact O-N 2.8Å; S62-F64 PolarHBondContact O-N 2.88Å; S62-T65 WeakPolarHBondContact O-CB 3.44Å; S62-T65 PolarHBondContact O-N 3.4Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 PolarHBondContact O-OG1 2.98Å |
| 63 | E | 95.8 | Very high | 95.2 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 67% | 0.668 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64 | -24 | 176.9 | -60.9 | 178.8 | 175.4 | 0 | 0 | 112.1 | N60 L61 T65 | N60-E63 HydrophobicContact CB-CG 4.26Å; N60-E63 WeakPolarHBondContact O-CB 3.43Å; N60-E63 WeakPolarHBondContact O-CG 3.3Å; N60-E63 PolarHBondContact O-N 2.83Å; N60-E63 VanDerWaalsContact O-N 3.1Å; L61-E63 PolarHBondContact O-N 2.9Å; E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 2.89Å |
| 64 | F | 96.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -86.7 | 5 | 178.3 | -65.5 | -78.6 | 0 | 0 | 0 | 113.6 | L61 S62 K66 L71 V139 R164 A168 Y170 Y239 V241 | L61-F64 PolarHBondContact O-N 2.9Å; S62-F64 PolarHBondContact O-N 2.88Å; F64-K66 PolarHBondContact O-N 3.23Å; F64-L71 HydrophobicContact CB-CD1 4.25Å; F64-V139 HydrophobicContact CB-CG2 3.78Å; F64-V139 HydrophobicContact CD2-CG2 4.47Å; F64-V139 HydrophobicContact CG-CG2 4.24Å; F64-R164 PolarHBondContact O-NH2 2.74Å; F64-A168 HydrophobicContact CD1-CB 3.72Å; F64-A168 HydrophobicContact CD2-CB 4.17Å; F64-A168 HydrophobicContact CE1-CB 3.45Å; F64-A168 VanDerWaalsContact CE1-CB 3.45Å; F64-A168 HydrophobicContact CE2-CB 3.93Å; F64-A168 HydrophobicContact CG-CB 4.07Å; F64-A168 HydrophobicContact CZ-CB 3.56Å; F64-Y170 HydrophobicContact CD2-CE2 4.02Å; F64-Y170 WeakPolarHBondContact CD2-OH 3.09Å; F64-Y170 AromaticContact CE2-CE2 3.96Å; F64-Y170 HydrophobicContact CE2-CE2 3.96Å; F64-Y170 AromaticContact CE2-CZ 3.91Å; F64-Y170 WeakPolarHBondContact CE2-OH 3.44Å; F64-Y239 HydrophobicContact CE2-CE2 4.42Å; F64-Y239 HydrophobicContact CZ-CD2 4.11Å; F64-Y239 AromaticContact CZ-CE2 3.81Å; F64-Y239 HydrophobicContact CZ-CE2 3.81Å; F64-V241 HydrophobicContact CE1-CG2 4.03Å; F64-V241 HydrophobicContact CZ-CG2 4.18Å |
| 65 | T | 94.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | trans | -66.5 | 128.3 | 177 | -52.6 | 0 | 0 | 0 | 0 | 110.7 | S62 E63 G69 | S62-T65 WeakPolarHBondContact O-CB 3.44Å; S62-T65 PolarHBondContact O-N 3.4Å; S62-T65 VanDerWaalsContact O-N 3.13Å; S62-T65 PolarHBondContact O-OG1 2.98Å; E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 2.89Å; T65-G69 WeakPolarHBondContact CG2-O 3.5Å | ||
| 66 | K | 87.3 | Confident | 95.2 | Very high | 142 Ų | 142 | 50.6 Ų | 50.6 | 62% | 0.617 | 29% | 0.29 | S | S | * | . | trans | -89.9 | 114 | 176.1 | -169.8 | 176.5 | 178.3 | 178.8 | 0 | 111.7 | F64 | F64-K66 PolarHBondContact O-N 3.23Š| ||
| 67 | G | 86.8 | Confident | 95.2 | Very high | 61 Ų | 61 | 47.8 Ų | 47.8 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | -145.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | G69 | G67-G69 VanDerWaalsContact C-N 3.34Š|
| 68 | N | 83.4 | Confident | 95.2 | Very high | 184 Ų | 184 | 47.8 Ų | 47.8 | 98% | 0.984 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 13.1 | -177.8 | -62.1 | -21.6 | 0 | 0 | 0 | 113.5 | ||
| 69 | G | 89.8 | Confident | 95.1 | Very high | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -85.3 | 168.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T65 G67 | T65-G69 WeakPolarHBondContact CG2-O 3.5Å; G67-G69 VanDerWaalsContact C-N 3.34Å |
| 70 | P | 95 | Very high | 95 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 145.7 | 171.2 | 30.3 | -35.1 | 0 | 0 | 0 | 111 | R72 G90 K92 | P70-R72 PolarHBondContact O-N 2.82Å; P70-G90 VanDerWaalsContact CB-O 3.27Å; P70-G90 WeakPolarHBondContact CB-O 3.15Å; P70-K92 HydrophobicContact CB-CD 4.26Å; P70-K92 HydrophobicContact CB-CG 4.17Å; P70-K92 HydrophobicContact CG-CD 3.67Å; P70-K92 HydrophobicContact CG-CG 4.14Å |
| 71 | L | 97.8 | Very high | 95 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 122.7 | 171.6 | -175.8 | 71.8 | 0 | 0 | 0 | 110 | L61 F64 I73 C91 K92 D138 V139 | L61-L71 HydrophobicContact CB-CD2 4.04Å; L61-L71 WeakPolarHBondContact O-CD2 3.37Å; F64-L71 HydrophobicContact CB-CD1 4.25Å; L71-I73 HydrophobicContact CD2-CD1 4.06Å; L71-I73 HydrophobicContact CD2-CG1 4.11Å; L71-I73 HydrophobicContact CG-CG1 4.15Å; L71-C91 WeakPolarHBondContact O-CA 3.15Å; L71-K92 PolarHBondContact O-N 3.25Å; L71-D138 HydrophobicContact CD1-CB 3.5Å; L71-D138 HydrophobicContact CG-CB 4.49Å; L71-V139 HydrophobicContact CD1-CG2 4.16Å |
| 72 | R | 98.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 44.5 Ų | 44.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.2 | 176.5 | -68.1 | 180 | 176.2 | -93.1 | 2.9 | 110.4 | P70 K92 E119 V137 D138 V139 | P70-R72 PolarHBondContact O-N 2.82Å; R72-K92 WeakPolarHBondContact CA-O 3.36Å; R72-K92 HydrophobicContact CG-CB 4.35Å; R72-E119 IonicContact CZ-OE1 3.01Å; R72-E119 IonicContact NH1-OE1 3.47Å; R72-E119 PolarHBondContact NH1-OE1 2.84Å; R72-E119 IonicContact NH1-OE2 3.61Å; R72-E119 PolarHBondContact NH1-OE2 3.06Å; R72-E119 VanDerWaalsContact NH1-OE2 3.14Å; R72-V137 HydrophobicContact CB-CB 4.45Å; R72-D138 PolarHBondContact N-OD2 3.14Å; R72-D138 PolarHBondContact O-N 3.43Å; R72-V139 PolarHBondContact O-N 3.49Å; R72-V139 VanDerWaalsContact O-N 3.09Å |
| 73 | I | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.5 | -179.5 | -55.7 | 178.6 | 0 | 0 | 0 | 109.3 | L61 L71 Y87 C91 K92 V93 V94 V139 V141 | L61-I73 HydrophobicContact CD1-CD1 4.33Å; L71-I73 HydrophobicContact CD2-CD1 4.06Å; L71-I73 HydrophobicContact CD2-CG1 4.11Å; L71-I73 HydrophobicContact CG-CG1 4.15Å; I73-Y87 HydrophobicContact CD1-CD1 4.27Å; I73-Y87 HydrophobicContact CD1-CD2 3.91Å; I73-Y87 HydrophobicContact CD1-CE2 4.25Å; I73-Y87 HydrophobicContact CD1-CG 3.92Å; I73-Y87 HydrophobicContact CG2-CE2 4.31Å; I73-C91 HydrophobicContact CD1-CB 4.07Å; I73-K92 PolarHBondContact N-O 2.56Å; I73-V93 WeakPolarHBondContact O-CA 3.41Å; I73-V94 PolarHBondContact O-N 3.1Å; I73-V139 CarbonylContact C-O 3.52Å; I73-V139 WeakPolarHBondContact CA-O 3.5Å; I73-V139 HydrophobicContact CG1-CB 4.32Å; I73-V139 HydrophobicContact CG2-CG1 4.43Å; I73-V141 HydrophobicContact CG2-CB 4.49Å; I73-V141 HydrophobicContact CG2-CG2 3.75Å |
| 74 | L | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.8 | 161.4 | 173.2 | 66.3 | 0 | 0 | 0 | 109.2 | I76 V94 T96 M129 V132 V137 V139 V140 V141 I162 | L74-I76 HydrophobicContact CD2-CD1 4.44Å; L74-I76 HydrophobicContact CD2-CG1 4.05Å; L74-I76 HydrophobicContact CG-CG1 4.13Å; L74-V94 CarbonylContact C-O 3.41Å; L74-V94 WeakPolarHBondContact CA-O 3.46Å; L74-V94 HydrophobicContact CD1-CB 4.07Å; L74-V94 HydrophobicContact CD1-CG1 3.79Å; L74-T96 HydrophobicContact CD1-CG2 3.86Å; L74-M129 HydrophobicContact CD2-SD 4Å; L74-V132 HydrophobicContact CD1-CG2 4.4Å; L74-V132 HydrophobicContact CD2-CG1 4.31Å; L74-V132 HydrophobicContact CD2-CG2 4.46Å; L74-V137 HydrophobicContact CB-CG1 4.15Å; L74-V137 HydrophobicContact CB-CG2 4.2Å; L74-V139 PolarHBondContact N-O 2.85Å; L74-V140 HydrophobicContact CB-CG2 4.27Å; L74-V140 HydrophobicContact CD2-CG2 4.34Å; L74-V140 CarbonylContact O-C 3.46Å; L74-V140 VanDerWaalsContact O-CA 3.31Å; L74-V140 WeakPolarHBondContact O-CA 3.29Å; L74-V141 PolarHBondContact O-N 3.1Å; L74-I162 HydrophobicContact CD2-CD1 3.9Å; L74-I162 HydrophobicContact CD2-CG2 3.86Å |
| 75 | E | 98.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.9 | 171.3 | -158.1 | 151.7 | 161.9 | 0 | 0 | 110.4 | C78 N83 F84 Y87 V94 T96 V141 | E75-C78 HydrophobicContact CB-CB 4.06Å; E75-C78 HydrophobicContact CG-CB 3.96Å; E75-N83 WeakPolarHBondContact OE1-CB 3.44Å; E75-N83 PolarHBondContact OE1-ND2 3.17Å; E75-F84 WeakPolarHBondContact OE2-CE1 3.37Å; E75-Y87 PolarHBondContact OE1-OH 2.99Å; E75-Y87 WeakPolarHBondContact OE2-CE2 3.44Å; E75-Y87 VanDerWaalsContact OE2-CZ 3.26Å; E75-Y87 PolarHBondContact OE2-OH 3.3Å; E75-V94 PolarHBondContact N-O 3.26Å; E75-T96 PolarHBondContact O-N 2.73Å; E75-T96 PolarHBondContact O-OG1 2.82Å; E75-V141 HydrophobicContact CG-CB 4.31Å |
| 76 | I | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 131.7 | 175.4 | -55.2 | 172.8 | 0 | 0 | 0 | 108.1 | L74 T96 M129 V140 V141 V145 A159 | L74-I76 HydrophobicContact CD2-CD1 4.44Å; L74-I76 HydrophobicContact CD2-CG1 4.05Å; L74-I76 HydrophobicContact CG-CG1 4.13Å; I76-T96 WeakPolarHBondContact CA-OG1 3.26Å; I76-M129 HydrophobicContact CD1-CE 3.47Å; I76-M129 VanDerWaalsContact CD1-CE 3.47Å; I76-M129 HydrophobicContact CD1-SD 3.63Å; I76-M129 HydrophobicContact CG1-CE 4.24Å; I76-M129 HydrophobicContact CG1-SD 3.71Å; I76-M129 HydrophobicContact CG2-SD 4.44Å; I76-V140 HydrophobicContact CD1-CG1 3.36Å; I76-V140 HydrophobicContact CG1-CG1 3.87Å; I76-V141 PolarHBondContact N-O 3.43Å; I76-V145 HydrophobicContact CG2-CG1 4.15Å; I76-V145 WeakPolarHBondContact O-CG2 3.43Å; I76-A159 HydrophobicContact CD1-CB 4.18Å |
| 77 | G | 97.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 50.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G79 T96 | G77-G79 PolarHBondContact O-N 3.43Å; G77-G79 VanDerWaalsContact O-N 3.08Å; G77-T96 VanDerWaalsContact CA-O 3.3Å; G77-T96 WeakPolarHBondContact CA-O 3.14Å; G77-T96 PolarHBondContact N-O 2.89Å |
| 78 | C | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | trans | -62.2 | -19.9 | -172.1 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | E75 S80 G81 C95 T96 L106 | E75-C78 HydrophobicContact CB-CB 4.06Å; E75-C78 HydrophobicContact CG-CB 3.96Å; C78-S80 PolarHBondContact O-N 2.87Å; C78-S80 VanDerWaalsContact O-N 3.12Å; C78-G81 PolarHBondContact O-N 2.99Å; C78-C95 HydrophobicContact CB-CB 3.85Å; C78-T96 PolarHBondContact N-O 2.7Å; C78-T96 PolarHBondContact SG-O 3.31Å; C78-L106 HydrophobicContact CB-CD2 4.08Å; C78-L106 WeakPolarHBondContact SG-CD1 3.34Å | ||
| 79 | G | 96.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | -121.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G77 D97 F102 L106 | G77-G79 PolarHBondContact O-N 3.43Å; G77-G79 VanDerWaalsContact O-N 3.08Å; G79-D97 PolarHBondContact N-OD2 3.01Å; G79-D97 VanDerWaalsContact N-OD2 3.1Å; G79-F102 WeakPolarHBondContact O-CB 3.31Å; G79-F102 VanDerWaalsContact O-CD1 3.26Å; G79-F102 WeakPolarHBondContact O-CD1 3.41Å; G79-F102 WeakPolarHBondContact O-CG 3.33Å; G79-L106 WeakPolarHBondContact O-CD2 3.3Å; G79-L106 WeakPolarHBondContact O-CG 3.48Å |
| 80 | S | 96.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 13.4 | 179.3 | 79.5 | 0 | 0 | 0 | 0 | 115.1 | S43 C78 S109 | S43-S80 PolarHBondContact OG-OG 2.79Å; C78-S80 PolarHBondContact O-N 2.87Å; C78-S80 VanDerWaalsContact O-N 3.12Å; S80-S109 WeakPolarHBondContact O-CB 3.25Å; S80-S109 PolarHBondContact O-OG 3.08Å |
| 81 | G | 97.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C78 N83 F84 | C78-G81 PolarHBondContact O-N 2.99Å; G81-N83 PolarHBondContact O-N 3.1Å; G81-N83 VanDerWaalsContact O-N 3.17Å; G81-F84 WeakPolarHBondContact O-CG 3.39Å; G81-F84 PolarHBondContact O-N 2.86Å |
| 82 | A | 97.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 25.2 Ų | 25.2 | 20% | 0.198 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N47 K54 | N47-A82 PolarHBondContact ND2-O 2.87Å; N47-A82 PolarHBondContact OD1-O 3.19Å; K54-A82 PolarHBondContact NZ-O 2.96Å |
| 83 | N | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.5 | -178.5 | -63.4 | -43.1 | 0 | 0 | 0 | 114.2 | K54 F58 E75 G81 E85 F86 Y87 T143 | K54-N83 WeakPolarHBondContact CE-OD1 3.41Å; K54-N83 PolarHBondContact NZ-OD1 3.35Å; F58-N83 HydrophobicContact CE2-CB 4.11Å; F58-N83 HydrophobicContact CZ-CB 4.18Å; E75-N83 WeakPolarHBondContact OE1-CB 3.44Å; E75-N83 PolarHBondContact OE1-ND2 3.17Å; G81-N83 PolarHBondContact O-N 3.1Å; G81-N83 VanDerWaalsContact O-N 3.17Å; N83-E85 VanDerWaalsContact C-N 3.31Å; N83-E85 PolarHBondContact O-N 3.39Å; N83-F86 WeakPolarHBondContact O-CB 3.12Å; N83-F86 WeakPolarHBondContact O-CD2 3.49Å; N83-F86 PolarHBondContact O-N 3.07Å; N83-Y87 HydrophobicContact CB-CE1 3.79Å; N83-Y87 HydrophobicContact CB-CE2 4.24Å; N83-Y87 VanDerWaalsContact CB-CZ 3.49Å; N83-Y87 WeakPolarHBondContact CB-OH 3.36Å; N83-T143 PolarHBondContact ND2-OG1 3.31Å |
| 84 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -57.8 | -38 | -168.4 | -65.2 | -7.4 | 0 | 0 | 0 | 114.1 | E75 G81 F86 Y87 V93 L106 M110 N113 H115 L116 | E75-F84 WeakPolarHBondContact OE2-CE1 3.37Å; G81-F84 WeakPolarHBondContact O-CG 3.39Å; G81-F84 PolarHBondContact O-N 2.86Å; F84-F86 PolarHBondContact O-N 2.9Å; F84-F86 VanDerWaalsContact O-N 3.1Å; F84-Y87 HydrophobicContact CD1-CD2 4.25Å; F84-Y87 AromaticContact CD1-CE2 3.88Å; F84-Y87 HydrophobicContact CD1-CE2 3.88Å; F84-Y87 HydrophobicContact CE1-CE2 4.45Å; F84-Y87 PolarHBondContact O-N 3.28Å; F84-V93 HydrophobicContact CE1-CG1 4.04Å; F84-L106 HydrophobicContact CE2-CD2 4.08Å; F84-L106 HydrophobicContact CZ-CD2 3.78Å; F84-M110 HydrophobicContact CD2-CE 3.77Å; F84-M110 HydrophobicContact CE2-CE 3.65Å; F84-M110 HydrophobicContact CG-CE 4.42Å; F84-M110 HydrophobicContact CZ-CE 4.21Å; F84-N113 HydrophobicContact CB-CB 4.15Å; F84-H115 PolarHBondContact O-NE2 2.67Å; F84-L116 HydrophobicContact CB-CD1 3.61Å; F84-L116 HydrophobicContact CD1-CD1 4.39Å; F84-L116 HydrophobicContact CG-CD1 4Å |
| 85 | E | 97.8 | Very high | 97.6 | Very high | 97 Ų | 97 | 21.2 Ų | 21.2 | 45% | 0.453 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -63.2 | -17.9 | 179.1 | 69.7 | 176.9 | 121.5 | 0 | 0 | 113.8 | N47 N83 N113 | N47-E85 PolarHBondContact ND2-OE1 3.29Å; N83-E85 VanDerWaalsContact C-N 3.31Å; N83-E85 PolarHBondContact O-N 3.39Å; E85-N113 WeakPolarHBondContact CA-OD1 3.38Å; E85-N113 PolarHBondContact N-OD1 3.34Å |
| 86 | F | 98.2 | Very high | 97.6 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 9% | 0.088 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -99 | -6.4 | -177.1 | -53.9 | -80.3 | 0 | 0 | 0 | 113.1 | K54 K55 F58 N83 F84 | K54-F86 HydrophobicContact CB-CD1 3.75Å; K54-F86 HydrophobicContact CB-CD2 3.96Å; K54-F86 HydrophobicContact CB-CE1 3.65Å; K54-F86 HydrophobicContact CB-CE2 3.89Å; K54-F86 HydrophobicContact CB-CG 3.91Å; K54-F86 HydrophobicContact CB-CZ 3.74Å; K54-F86 HydrophobicContact CD-CD2 4.18Å; K54-F86 HydrophobicContact CD-CE2 3.6Å; K54-F86 HydrophobicContact CD-CZ 3.88Å; K54-F86 HydrophobicContact CG-CE2 4.38Å; K54-F86 HydrophobicContact CG-CZ 4.4Å; K55-F86 HydrophobicContact CG-CD1 3.76Å; K55-F86 HydrophobicContact CG-CE1 3.95Å; F58-F86 HydrophobicContact CB-CB 4.17Å; F58-F86 HydrophobicContact CD2-CB 3.5Å; F58-F86 VanDerWaalsContact CD2-CB 3.5Å; F58-F86 HydrophobicContact CD2-CG 4.15Å; F58-F86 HydrophobicContact CE2-CB 4.29Å; F58-F86 HydrophobicContact CG-CB 4.21Å; N83-F86 WeakPolarHBondContact O-CB 3.12Å; N83-F86 WeakPolarHBondContact O-CD2 3.49Å; N83-F86 PolarHBondContact O-N 3.07Å; F84-F86 PolarHBondContact O-N 2.9Å; F84-F86 VanDerWaalsContact O-N 3.1Å |
| 87 | Y | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -83.6 | 145.5 | -178.9 | -63.4 | -18 | 0 | 0 | 0 | 111.9 | F58 L61 I73 E75 N83 F84 V93 H115 L116 V141 | F58-Y87 HydrophobicContact CD1-CD1 4.38Å; F58-Y87 AromaticContact CD1-CE1 3.96Å; F58-Y87 HydrophobicContact CD1-CE1 3.96Å; F58-Y87 HydrophobicContact CD2-CE1 4.36Å; F58-Y87 AromaticContact CE1-CE1 3.83Å; F58-Y87 HydrophobicContact CE1-CE1 3.83Å; F58-Y87 HydrophobicContact CE2-CE1 4.23Å; F58-Y87 HydrophobicContact CG-CD1 4.35Å; F58-Y87 HydrophobicContact CG-CE1 4.22Å; F58-Y87 AromaticContact CZ-CE1 3.96Å; F58-Y87 HydrophobicContact CZ-CE1 3.96Å; L61-Y87 HydrophobicContact CD1-CD1 3.47Å; L61-Y87 VanDerWaalsContact CD1-CD1 3.47Å; L61-Y87 HydrophobicContact CD1-CE1 3.99Å; L61-Y87 HydrophobicContact CD1-CG 4.32Å; I73-Y87 HydrophobicContact CD1-CD1 4.27Å; I73-Y87 HydrophobicContact CD1-CD2 3.91Å; I73-Y87 HydrophobicContact CD1-CE2 4.25Å; I73-Y87 HydrophobicContact CD1-CG 3.92Å; I73-Y87 HydrophobicContact CG2-CE2 4.31Å; E75-Y87 PolarHBondContact OE1-OH 2.99Å; E75-Y87 WeakPolarHBondContact OE2-CE2 3.44Å; E75-Y87 VanDerWaalsContact OE2-CZ 3.26Å; E75-Y87 PolarHBondContact OE2-OH 3.3Å; N83-Y87 HydrophobicContact CB-CE1 3.79Å; N83-Y87 HydrophobicContact CB-CE2 4.24Å; N83-Y87 VanDerWaalsContact CB-CZ 3.49Å; N83-Y87 WeakPolarHBondContact CB-OH 3.36Å; F84-Y87 HydrophobicContact CD1-CD2 4.25Å; F84-Y87 AromaticContact CD1-CE2 3.88Å; F84-Y87 HydrophobicContact CD1-CE2 3.88Å; F84-Y87 HydrophobicContact CE1-CE2 4.45Å; F84-Y87 PolarHBondContact O-N 3.28Å; Y87-V93 HydrophobicContact CD2-CG2 4.25Å; Y87-H115 PolarHBondContact O-CD2 3.17Å; Y87-H115 PolarHBondContact O-NE2 3.14Å; Y87-H115 VanDerWaalsContact O-NE2 3.17Å; Y87-L116 HydrophobicContact CD2-CD1 4.21Å; Y87-V141 HydrophobicContact CE1-CG2 4.21Å; Y87-V141 WeakPolarHBondContact OH-CB 3.43Å; Y87-V141 WeakPolarHBondContact OH-CG1 3.22Å; Y87-V141 WeakPolarHBondContact OH-CG2 3.04Å |
| 88 | P | 96.8 | Very high | 97.5 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 153.1 | 175.6 | -22.7 | 31.7 | 0 | 0 | 0 | 112.8 | L61 C91 L116 | L61-P88 HydrophobicContact CB-CG 3.93Å; P88-C91 PolarHBondContact O-SG 2.82Å; P88-L116 WeakPolarHBondContact O-CD2 3.5Å |
| 89 | S | 96.5 | Very high | 97.5 | Very high | 100 Ų | 100 | 24.8 Ų | 24.8 | 70% | 0.699 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 144.5 | 173.5 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | C91 | S89-C91 VanDerWaalsContact C-N 3.32Š|
| 90 | G | 95.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 27.2 Ų | 27.2 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 2.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P70 H115 | P70-G90 VanDerWaalsContact CB-O 3.27Å; P70-G90 WeakPolarHBondContact CB-O 3.15Å; G90-H115 PolarHBondContact N-O 2.89Å |
| 91 | C | 97.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -66.8 | 146.3 | 176.1 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | L71 I73 P88 S89 L116 T117 | L71-C91 WeakPolarHBondContact O-CA 3.15Å; I73-C91 HydrophobicContact CD1-CB 4.07Å; P88-C91 PolarHBondContact O-SG 2.82Å; S89-C91 VanDerWaalsContact C-N 3.32Å; C91-L116 HydrophobicContact CB-CD2 3.91Å; C91-T117 PolarHBondContact O-N 2.83Å | ||
| 92 | K | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 30.6 Ų | 30.6 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.7 | 171 | -74.2 | -176.9 | 163.7 | -155 | 0 | 109.4 | P70 L71 R72 I73 T117 E119 | P70-K92 HydrophobicContact CB-CD 4.26Å; P70-K92 HydrophobicContact CB-CG 4.17Å; P70-K92 HydrophobicContact CG-CD 3.67Å; P70-K92 HydrophobicContact CG-CG 4.14Å; L71-K92 PolarHBondContact O-N 3.25Å; R72-K92 WeakPolarHBondContact CA-O 3.36Å; R72-K92 HydrophobicContact CG-CB 4.35Å; I73-K92 PolarHBondContact N-O 2.56Å; K92-T117 WeakPolarHBondContact CA-O 3.45Å; K92-T117 HydrophobicContact CG-CG2 4.32Å; K92-E119 HydrophobicContact CB-CG 4.1Å; K92-E119 HydrophobicContact CD-CG 4.44Å; K92-E119 WeakPolarHBondContact CD-OE1 3.37Å; K92-E119 HydrophobicContact CG-CG 4.43Å; K92-E119 IonicContact NZ-OE1 2.8Å |
| 93 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.8 | -172.7 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | I73 F84 Y87 L116 T117 E119 | I73-V93 WeakPolarHBondContact O-CA 3.41Å; F84-V93 HydrophobicContact CE1-CG1 4.04Å; Y87-V93 HydrophobicContact CD2-CG2 4.25Å; V93-L116 HydrophobicContact CG2-CD1 4.28Å; V93-T117 PolarHBondContact N-O 2.66Å; V93-E119 PolarHBondContact O-N 2.65Å |
| 94 | V | 98.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.5 | 164.8 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | I73 L74 E75 E119 R120 | I73-V94 PolarHBondContact O-N 3.1Å; L74-V94 CarbonylContact C-O 3.41Å; L74-V94 WeakPolarHBondContact CA-O 3.46Å; L74-V94 HydrophobicContact CD1-CB 4.07Å; L74-V94 HydrophobicContact CD1-CG1 3.79Å; E75-V94 PolarHBondContact N-O 3.26Å; V94-E119 HydrophobicContact CG2-CB 3.95Å; V94-R120 HydrophobicContact CG1-CG 3.94Å; V94-R120 HydrophobicContact CG2-CG 4.33Å |
| 95 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.6 | -178.4 | -77 | 0 | 0 | 0 | 0 | 111.1 | C78 L106 F118 R120 F121 V122 | C78-C95 HydrophobicContact CB-CB 3.85Å; C95-L106 HydrophobicContact CB-CD1 4.23Å; C95-F118 HydrophobicContact CB-CE2 3.98Å; C95-R120 PolarHBondContact N-O 3.14Å; C95-F121 HydrophobicContact CB-CD2 4.05Å; C95-F121 CarbonylContact O-C 3.57Å; C95-F121 WeakPolarHBondContact O-CA 3.27Å; C95-V122 PolarHBondContact O-N 3.3Å |
| 96 | T | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.2 | 172.1 | 58 | 0 | 0 | 0 | 0 | 110.6 | L74 E75 I76 G77 C78 V122 | L74-T96 HydrophobicContact CD1-CG2 3.86Å; E75-T96 PolarHBondContact O-N 2.73Å; E75-T96 PolarHBondContact O-OG1 2.82Å; I76-T96 WeakPolarHBondContact CA-OG1 3.26Å; G77-T96 VanDerWaalsContact CA-O 3.3Å; G77-T96 WeakPolarHBondContact CA-O 3.14Å; G77-T96 PolarHBondContact N-O 2.89Å; C78-T96 PolarHBondContact N-O 2.7Å; C78-T96 PolarHBondContact SG-O 3.31Å; T96-V122 VanDerWaalsContact CA-O 3.27Å; T96-V122 WeakPolarHBondContact CA-O 3.33Å; T96-V122 HydrophobicContact CG2-CB 4.03Å |
| 97 | D | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 139.5 | 170.6 | -162.3 | -73.8 | 0 | 0 | 0 | 109.1 | G79 N99 F102 F121 V122 V123 A124 | G79-D97 PolarHBondContact N-OD2 3.01Å; G79-D97 VanDerWaalsContact N-OD2 3.1Å; D97-N99 PolarHBondContact O-N 3.47Å; D97-N99 WeakPolarHBondContact OD1-CB 3.48Å; D97-N99 PolarHBondContact OD1-N 3.14Å; D97-F102 HydrophobicContact CB-CD2 4.37Å; D97-F102 VanDerWaalsContact OD1-CD2 3.31Å; D97-F102 WeakPolarHBondContact OD1-CD2 3.49Å; D97-F121 HydrophobicContact CB-CE2 3.75Å; D97-F121 HydrophobicContact CB-CZ 3.98Å; D97-V122 PolarHBondContact N-O 2.74Å; D97-V123 WeakPolarHBondContact O-CA 3.4Å; D97-A124 CarbonylContact C-O 3.5Å; D97-A124 PolarHBondContact O-N 3.35Å |
| 98 | P | 96 | Very high | 97 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -68.3 | -19.6 | 177.9 | 27.7 | -36.3 | 0 | 0 | 0 | 112.8 | P100 A124 | P98-P100 WeakPolarHBondContact O-CD 3.43Å; P98-A124 WeakPolarHBondContact CD-O 3.49Å; P98-A124 VanDerWaalsContact N-O 3.1Å |
| 99 | N | 95.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | trans | -94.7 | 107.9 | 180 | -175.8 | -12.9 | 0 | 0 | 0 | 111.1 | K32 P36 D97 H101 F102 | K32-N99 PolarHBondContact O-ND2 3.4Å; P36-N99 WeakPolarHBondContact CG-ND2 3.48Å; D97-N99 PolarHBondContact O-N 3.47Å; D97-N99 WeakPolarHBondContact OD1-CB 3.48Å; D97-N99 PolarHBondContact OD1-N 3.14Å; N99-H101 PolarHBondContact O-N 3.14Å; N99-H101 WeakPolarHBondContact OD1-CB 3.42Å; N99-H101 PolarHBondContact OD1-CD2 2.82Å; N99-H101 VanDerWaalsContact OD1-CD2 3.31Å; N99-H101 PolarHBondContact OD1-N 2.86Å; N99-F102 HydrophobicContact CB-CD2 3.76Å; N99-F102 HydrophobicContact CB-CE2 3.93Å; N99-F102 PolarHBondContact O-N 3.14Å | ||
| 100 | P | 96.1 | Very high | 97 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -65 | -18 | -176 | 27.9 | -36.3 | 0 | 0 | 0 | 113.3 | P98 F102 E103 V123 | P98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-F102 PolarHBondContact O-N 2.87Å; P100-E103 PolarHBondContact O-N 2.85Å; P100-V123 HydrophobicContact CB-CG1 4.29Å; P100-V123 HydrophobicContact CB-CG2 3.85Å |
| 101 | H | 96.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.338 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -76.8 | -4.4 | -176 | -58.1 | -57.4 | 0 | 0 | 0 | 113.8 | R33 P36 N99 | R33-H101 VanDerWaalsContact CG-NE2 3.33Å; R33-H101 WeakPolarHBondContact CG-NE2 3.13Å; P36-H101 HydrophobicContact CG-CB 3.98Å; N99-H101 PolarHBondContact O-N 3.14Å; N99-H101 WeakPolarHBondContact OD1-CB 3.42Å; N99-H101 PolarHBondContact OD1-CD2 2.82Å; N99-H101 VanDerWaalsContact OD1-CD2 3.31Å; N99-H101 PolarHBondContact OD1-N 2.86Å |
| 102 | F | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -74.4 | -23.8 | 172.3 | -83.6 | -65.1 | 0 | 0 | 0 | 114.1 | F35 P36 I39 G79 D97 N99 P100 K104 Y105 L106 | F35-F102 HydrophobicContact CD1-CE2 4.43Å; F35-F102 HydrophobicContact CD1-CZ 4.03Å; F35-F102 HydrophobicContact CE1-CZ 4.09Å; P36-F102 VanDerWaalsContact CA-CE1 3.42Å; P36-F102 HydrophobicContact CB-CD1 3.54Å; P36-F102 HydrophobicContact CB-CD2 4.48Å; P36-F102 HydrophobicContact CB-CE1 3.57Å; P36-F102 HydrophobicContact CB-CE2 4.49Å; P36-F102 HydrophobicContact CB-CG 4.02Å; P36-F102 HydrophobicContact CB-CZ 4.06Å; P36-F102 HydrophobicContact CG-CD1 3.97Å; P36-F102 HydrophobicContact CG-CD2 4.02Å; P36-F102 HydrophobicContact CG-CE1 3.91Å; P36-F102 HydrophobicContact CG-CE2 3.95Å; P36-F102 HydrophobicContact CG-CG 4.02Å; P36-F102 HydrophobicContact CG-CZ 3.89Å; I39-F102 HydrophobicContact CB-CE1 4.09Å; I39-F102 HydrophobicContact CB-CZ 4.3Å; I39-F102 HydrophobicContact CG1-CZ 4.43Å; I39-F102 HydrophobicContact CG2-CE1 4Å; I39-F102 HydrophobicContact CG2-CZ 4.3Å; G79-F102 WeakPolarHBondContact O-CB 3.31Å; G79-F102 VanDerWaalsContact O-CD1 3.26Å; G79-F102 WeakPolarHBondContact O-CD1 3.41Å; G79-F102 WeakPolarHBondContact O-CG 3.33Å; D97-F102 HydrophobicContact CB-CD2 4.37Å; D97-F102 VanDerWaalsContact OD1-CD2 3.31Å; D97-F102 WeakPolarHBondContact OD1-CD2 3.49Å; N99-F102 HydrophobicContact CB-CD2 3.76Å; N99-F102 HydrophobicContact CB-CE2 3.93Å; N99-F102 PolarHBondContact O-N 3.14Å; P100-F102 PolarHBondContact O-N 2.87Å; F102-K104 VanDerWaalsContact C-N 3.3Å; F102-K104 PolarHBondContact O-N 2.98Å; F102-K104 VanDerWaalsContact O-N 3.16Å; F102-Y105 WeakPolarHBondContact O-CA 3.48Å; F102-Y105 WeakPolarHBondContact O-CB 3.3Å; F102-Y105 PolarHBondContact O-N 3.46Å; F102-L106 PolarHBondContact O-N 3Å |
| 103 | E | 96.6 | Very high | 97 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.7 | -44.7 | -173.1 | -170.5 | 174.2 | -163.5 | 0 | 0 | 113.1 | P100 Y105 L106 Q107 F121 | P100-E103 PolarHBondContact O-N 2.85Å; E103-Y105 PolarHBondContact O-N 2.85Å; E103-L106 WeakPolarHBondContact O-CB 3.47Å; E103-L106 PolarHBondContact O-N 2.97Å; E103-Q107 WeakPolarHBondContact O-CG 3.44Å; E103-Q107 PolarHBondContact O-N 2.98Å; E103-F121 HydrophobicContact CB-CD1 3.69Å; E103-F121 HydrophobicContact CB-CE1 3.89Å; E103-F121 HydrophobicContact CB-CG 4.49Å; E103-F121 HydrophobicContact CG-CB 4.4Å; E103-F121 HydrophobicContact CG-CD1 3.82Å; E103-F121 HydrophobicContact CG-CG 4.38Å |
| 104 | K | 96.4 | Very high | 96.9 | Very high | 103 Ų | 103 | 51 Ų | 51 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -26.7 | 177.7 | 72.9 | -175.5 | -178.8 | -176.6 | 0 | 113.8 | F102 K108 | F102-K104 VanDerWaalsContact C-N 3.3Å; F102-K104 PolarHBondContact O-N 2.98Å; F102-K104 VanDerWaalsContact O-N 3.16Å; K104-K108 WeakPolarHBondContact O-CG 3.46Å |
| 105 | Y | 97.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.4 | -36.1 | 176.9 | -62.1 | -77 | 0 | 0 | 0 | 111.1 | P36 F37 Y40 F102 E103 Q107 K108 S109 | P36-Y105 HydrophobicContact CB-CD2 3.69Å; P36-Y105 HydrophobicContact CB-CE2 3.49Å; P36-Y105 VanDerWaalsContact CB-CE2 3.49Å; F37-Y105 WeakPolarHBondContact CA-OH 3.5Å; F37-Y105 WeakPolarHBondContact CB-OH 3.14Å; F37-Y105 HydrophobicContact CD2-CE1 4.4Å; Y40-Y105 AromaticContact CD1-CD1 3.53Å; Y40-Y105 HydrophobicContact CD1-CD1 3.53Å; Y40-Y105 AromaticContact CD1-CE1 3.8Å; Y40-Y105 HydrophobicContact CD1-CE1 3.8Å; Y40-Y105 AromaticContact CD2-CD1 3.86Å; Y40-Y105 HydrophobicContact CD2-CD1 3.86Å; Y40-Y105 HydrophobicContact CD2-CG 4.34Å; Y40-Y105 HydrophobicContact CE1-CD1 4.16Å; Y40-Y105 HydrophobicContact CE2-CD1 4.41Å; Y40-Y105 AromaticContact CG-CD1 3.34Å; Y40-Y105 HydrophobicContact CG-CD1 3.34Å; Y40-Y105 AromaticContact CG-CE1 3.96Å; Y40-Y105 HydrophobicContact CG-CE1 3.96Å; Y40-Y105 HydrophobicContact CG-CG 4.09Å; F102-Y105 WeakPolarHBondContact O-CA 3.48Å; F102-Y105 WeakPolarHBondContact O-CB 3.3Å; F102-Y105 PolarHBondContact O-N 3.46Å; E103-Y105 PolarHBondContact O-N 2.85Å; Y105-Q107 VanDerWaalsContact C-N 3.3Å; Y105-Q107 PolarHBondContact O-N 2.97Å; Y105-K108 WeakPolarHBondContact O-CB 3.19Å; Y105-K108 PolarHBondContact O-N 3.35Å; Y105-K108 VanDerWaalsContact O-N 3.16Å; Y105-S109 PolarHBondContact O-N 3.43Å; Y105-S109 PolarHBondContact O-OG 3.34Å |
| 106 | L | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 169.9 | -69.1 | 168 | 0 | 0 | 0 | 111.1 | C78 G79 F84 C95 F102 E103 K108 S109 M110 F118 F121 | C78-L106 HydrophobicContact CB-CD2 4.08Å; C78-L106 WeakPolarHBondContact SG-CD1 3.34Å; G79-L106 WeakPolarHBondContact O-CD2 3.3Å; G79-L106 WeakPolarHBondContact O-CG 3.48Å; F84-L106 HydrophobicContact CE2-CD2 4.08Å; F84-L106 HydrophobicContact CZ-CD2 3.78Å; C95-L106 HydrophobicContact CB-CD1 4.23Å; F102-L106 PolarHBondContact O-N 3Å; E103-L106 WeakPolarHBondContact O-CB 3.47Å; E103-L106 PolarHBondContact O-N 2.97Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.42Å; L106-S109 PolarHBondContact O-N 2.89Å; L106-M110 VanDerWaalsContact O-CB 3.32Å; L106-M110 WeakPolarHBondContact O-CB 3.27Å; L106-M110 PolarHBondContact O-N 3.37Å; L106-F118 HydrophobicContact CB-CZ 4.48Å; L106-F121 HydrophobicContact CD1-CD2 3.51Å; L106-F121 HydrophobicContact CD1-CE2 3.76Å; L106-F121 HydrophobicContact CD1-CG 4.08Å; L106-F121 HydrophobicContact CD1-CZ 4.49Å |
| 107 | Q | 96.1 | Very high | 96.8 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 175.2 | -71.8 | 173.2 | -7.3 | 0 | 0 | 112.3 | E103 Y105 M110 A111 | E103-Q107 WeakPolarHBondContact O-CG 3.44Å; E103-Q107 PolarHBondContact O-N 2.98Å; Y105-Q107 VanDerWaalsContact C-N 3.3Å; Y105-Q107 PolarHBondContact O-N 2.97Å; Q107-M110 PolarHBondContact O-N 3.46Å; Q107-A111 WeakPolarHBondContact O-CB 3.43Å; Q107-A111 PolarHBondContact O-N 3.43Å |
| 108 | K | 97 | Very high | 96.8 | Very high | 109 Ų | 109 | 58.7 Ų | 58.7 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 176.1 | -71.9 | 176.2 | -177.9 | -172.9 | 0 | 112.4 | K104 Y105 L106 M110 A111 | K104-K108 WeakPolarHBondContact O-CG 3.46Å; Y105-K108 WeakPolarHBondContact O-CB 3.19Å; Y105-K108 PolarHBondContact O-N 3.35Å; Y105-K108 VanDerWaalsContact O-N 3.16Å; L106-K108 VanDerWaalsContact C-N 3.31Å; L106-K108 PolarHBondContact O-N 3.42Å; K108-M110 VanDerWaalsContact C-N 3.33Å; K108-A111 PolarHBondContact O-N 3.27Å |
| 109 | S | 97 | Very high | 96.8 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 110.7 | S80 Y105 L106 A111 V112 N113 | S80-S109 WeakPolarHBondContact O-CB 3.25Å; S80-S109 PolarHBondContact O-OG 3.08Å; Y105-S109 PolarHBondContact O-N 3.43Å; Y105-S109 PolarHBondContact O-OG 3.34Å; L106-S109 PolarHBondContact O-N 2.89Å; S109-A111 VanDerWaalsContact C-N 3.34Å; S109-A111 PolarHBondContact O-N 2.81Å; S109-V112 VanDerWaalsContact O-CG2 3.23Å; S109-V112 WeakPolarHBondContact O-CG2 3.44Å; S109-V112 PolarHBondContact O-N 2.74Å; S109-N113 PolarHBondContact O-N 2.83Å; S109-N113 PolarHBondContact O-ND2 2.7Å |
| 110 | M | 96.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.1 | -170.9 | 56.8 | 53.3 | 0 | 0 | 112.5 | F84 L106 Q107 K108 V112 N113 L116 F118 | F84-M110 HydrophobicContact CD2-CE 3.77Å; F84-M110 HydrophobicContact CE2-CE 3.65Å; F84-M110 HydrophobicContact CG-CE 4.42Å; F84-M110 HydrophobicContact CZ-CE 4.21Å; L106-M110 VanDerWaalsContact O-CB 3.32Å; L106-M110 WeakPolarHBondContact O-CB 3.27Å; L106-M110 PolarHBondContact O-N 3.37Å; Q107-M110 PolarHBondContact O-N 3.46Å; K108-M110 VanDerWaalsContact C-N 3.33Å; M110-V112 PolarHBondContact O-N 3.05Å; M110-V112 VanDerWaalsContact O-N 3.12Å; M110-N113 CarbonylContact O-C 3.59Å; M110-N113 PolarHBondContact O-N 2.87Å; M110-L116 HydrophobicContact CE-CB 4.18Å; M110-L116 HydrophobicContact CE-CD1 4.28Å; M110-L116 HydrophobicContact SD-CB 3.85Å; M110-F118 HydrophobicContact CE-CB 3.79Å; M110-F118 HydrophobicContact CE-CD2 3.89Å; M110-F118 HydrophobicContact CE-CG 4.15Å; M110-F118 HydrophobicContact CG-CB 3.77Å; M110-F118 HydrophobicContact CG-CG 4.37Å; M110-F118 HydrophobicContact SD-CB 3.9Å |
| 111 | A | 96.7 | Very high | 96.9 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.8 | -20.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q107 K108 S109 | Q107-A111 WeakPolarHBondContact O-CB 3.43Å; Q107-A111 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.27Å; S109-A111 VanDerWaalsContact C-N 3.34Å; S109-A111 PolarHBondContact O-N 2.81Å |
| 112 | V | 96.9 | Very high | 97 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 4.4 | 175.3 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | S109 M110 | S109-V112 VanDerWaalsContact O-CG2 3.23Å; S109-V112 WeakPolarHBondContact O-CG2 3.44Å; S109-V112 PolarHBondContact O-N 2.74Å; M110-V112 PolarHBondContact O-N 3.05Å; M110-V112 VanDerWaalsContact O-N 3.12Å |
| 113 | N | 97.5 | Very high | 97 | Very high | 16 Ų | 16 | 63 Ų | 63 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | trans | -127.8 | 57.1 | 177.5 | -68.4 | -79.7 | 0 | 0 | 0 | 109 | F84 E85 S109 M110 H115 L116 | F84-N113 HydrophobicContact CB-CB 4.15Å; E85-N113 WeakPolarHBondContact CA-OD1 3.38Å; E85-N113 PolarHBondContact N-OD1 3.34Å; S109-N113 PolarHBondContact O-N 2.83Å; S109-N113 PolarHBondContact O-ND2 2.7Å; M110-N113 CarbonylContact O-C 3.59Å; M110-N113 PolarHBondContact O-N 2.87Å; N113-H115 PolarHBondContact O-N 2.74Å; N113-H115 VanDerWaalsContact O-N 3.15Å; N113-H115 PolarHBondContact OD1-CE1 3.05Å; N113-L116 HydrophobicContact CB-CD1 4.18Å; N113-L116 HydrophobicContact CB-CG 4.46Å; N113-L116 PolarHBondContact O-N 2.89Å; N113-L116 VanDerWaalsContact O-N 3.07Å | ||
| 114 | D | 96.3 | Very high | 97 | Very high | 149 Ų | 149 | 59.8 Ų | 59.8 | 80% | 0.797 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.2 | -175.9 | 65.1 | -8.5 | 0 | 0 | 0 | 114 | L116 | D114-L116 PolarHBondContact O-N 3.43Š|
| 115 | H | 97.4 | Very high | 97 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.1 | 169.7 | 66.6 | -77.4 | 0 | 0 | 0 | 113.4 | F84 Y87 G90 N113 | F84-H115 PolarHBondContact O-NE2 2.67Å; Y87-H115 PolarHBondContact O-CD2 3.17Å; Y87-H115 PolarHBondContact O-NE2 3.14Å; Y87-H115 VanDerWaalsContact O-NE2 3.17Å; G90-H115 PolarHBondContact N-O 2.89Å; N113-H115 PolarHBondContact O-N 2.74Å; N113-H115 VanDerWaalsContact O-N 3.15Å; N113-H115 PolarHBondContact OD1-CE1 3.05Å |
| 116 | L | 98.1 | Very high | 97 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.063 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -106.8 | 152.3 | 178.8 | -54.3 | -179.7 | 0 | 0 | 0 | 111.8 | F84 Y87 P88 C91 V93 M110 N113 D114 | F84-L116 HydrophobicContact CB-CD1 3.61Å; F84-L116 HydrophobicContact CD1-CD1 4.39Å; F84-L116 HydrophobicContact CG-CD1 4Å; Y87-L116 HydrophobicContact CD2-CD1 4.21Å; P88-L116 WeakPolarHBondContact O-CD2 3.5Å; C91-L116 HydrophobicContact CB-CD2 3.91Å; V93-L116 HydrophobicContact CG2-CD1 4.28Å; M110-L116 HydrophobicContact CE-CB 4.18Å; M110-L116 HydrophobicContact CE-CD1 4.28Å; M110-L116 HydrophobicContact SD-CB 3.85Å; N113-L116 HydrophobicContact CB-CD1 4.18Å; N113-L116 HydrophobicContact CB-CG 4.46Å; N113-L116 PolarHBondContact O-N 2.89Å; N113-L116 VanDerWaalsContact O-N 3.07Å; D114-L116 PolarHBondContact O-N 3.43Å |
| 117 | T | 97.8 | Very high | 97 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.7 | 168.6 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | C91 K92 V93 E119 | C91-T117 PolarHBondContact O-N 2.83Å; K92-T117 WeakPolarHBondContact CA-O 3.45Å; K92-T117 HydrophobicContact CG-CG2 4.32Å; V93-T117 PolarHBondContact N-O 2.66Å; T117-E119 PolarHBondContact O-N 3.08Å |
| 118 | F | 97.1 | Very high | 97 | Very high | 57 Ų | 57 | 57.7 Ų | 57.7 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 113.6 | 172.7 | -168.6 | -128.2 | 0 | 0 | 0 | 110.6 | C95 L106 M110 F121 | C95-F118 HydrophobicContact CB-CE2 3.98Å; L106-F118 HydrophobicContact CB-CZ 4.48Å; M110-F118 HydrophobicContact CE-CB 3.79Å; M110-F118 HydrophobicContact CE-CD2 3.89Å; M110-F118 HydrophobicContact CE-CG 4.15Å; M110-F118 HydrophobicContact CG-CB 3.77Å; M110-F118 HydrophobicContact CG-CG 4.37Å; M110-F118 HydrophobicContact SD-CB 3.9Å; F118-F121 HydrophobicContact CZ-CB 3.95Å |
| 119 | E | 96.3 | Very high | 97 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -50.1 | -179.5 | -74.3 | -163.1 | 133.8 | 0 | 0 | 111.7 | R72 K92 V93 V94 T117 | R72-E119 IonicContact CZ-OE1 3.01Å; R72-E119 IonicContact NH1-OE1 3.47Å; R72-E119 PolarHBondContact NH1-OE1 2.84Å; R72-E119 IonicContact NH1-OE2 3.61Å; R72-E119 PolarHBondContact NH1-OE2 3.06Å; R72-E119 VanDerWaalsContact NH1-OE2 3.14Å; K92-E119 HydrophobicContact CB-CG 4.1Å; K92-E119 HydrophobicContact CD-CG 4.44Å; K92-E119 WeakPolarHBondContact CD-OE1 3.37Å; K92-E119 HydrophobicContact CG-CG 4.43Å; K92-E119 IonicContact NZ-OE1 2.8Å; V93-E119 PolarHBondContact O-N 2.65Å; V94-E119 HydrophobicContact CG2-CB 3.95Å; T117-E119 PolarHBondContact O-N 3.08Å |
| 120 | R | 96.8 | Very high | 96.9 | Very high | 111 Ų | 111 | 54.9 Ų | 54.9 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 160.1 | 178.5 | 60.5 | -175.9 | -176.8 | 156.6 | 6 | 112.6 | V94 C95 V122 A131 | V94-R120 HydrophobicContact CG1-CG 3.94Å; V94-R120 HydrophobicContact CG2-CG 4.33Å; C95-R120 PolarHBondContact N-O 3.14Å; R120-V122 HydrophobicContact CG-CG2 4.16Å; R120-A131 PolarHBondContact NH2-O 2.8Å |
| 121 | F | 97.9 | Very high | 96.8 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.2 | 162.3 | -179.6 | -126.6 | 0 | 0 | 0 | 110.1 | C95 D97 E103 L106 F118 V123 | C95-F121 HydrophobicContact CB-CD2 4.05Å; C95-F121 CarbonylContact O-C 3.57Å; C95-F121 WeakPolarHBondContact O-CA 3.27Å; D97-F121 HydrophobicContact CB-CE2 3.75Å; D97-F121 HydrophobicContact CB-CZ 3.98Å; E103-F121 HydrophobicContact CB-CD1 3.69Å; E103-F121 HydrophobicContact CB-CE1 3.89Å; E103-F121 HydrophobicContact CB-CG 4.49Å; E103-F121 HydrophobicContact CG-CB 4.4Å; E103-F121 HydrophobicContact CG-CD1 3.82Å; E103-F121 HydrophobicContact CG-CG 4.38Å; L106-F121 HydrophobicContact CD1-CD2 3.51Å; L106-F121 HydrophobicContact CD1-CE2 3.76Å; L106-F121 HydrophobicContact CD1-CG 4.08Å; L106-F121 HydrophobicContact CD1-CZ 4.49Å; F118-F121 HydrophobicContact CZ-CB 3.95Å; F121-V123 HydrophobicContact CD1-CG2 4.37Å; F121-V123 HydrophobicContact CE1-CG2 3.76Å; F121-V123 HydrophobicContact CZ-CG2 4.29Å |
| 122 | V | 97.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.127 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.7 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | C95 T96 D97 R120 A124 A131 | C95-V122 PolarHBondContact O-N 3.3Å; T96-V122 VanDerWaalsContact CA-O 3.27Å; T96-V122 WeakPolarHBondContact CA-O 3.33Å; T96-V122 HydrophobicContact CG2-CB 4.03Å; D97-V122 PolarHBondContact N-O 2.74Å; R120-V122 HydrophobicContact CG-CG2 4.16Å; V122-A124 HydrophobicContact CG1-CB 4Å; V122-A124 PolarHBondContact O-N 2.74Å; V122-A124 VanDerWaalsContact O-N 3.1Å; V122-A131 HydrophobicContact CG1-CB 3.86Å |
| 123 | V | 97.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 98.6 | 175 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | D97 P100 F121 | D97-V123 WeakPolarHBondContact O-CA 3.4Å; P100-V123 HydrophobicContact CB-CG1 4.29Å; P100-V123 HydrophobicContact CB-CG2 3.85Å; F121-V123 HydrophobicContact CD1-CG2 4.37Å; F121-V123 HydrophobicContact CE1-CG2 3.76Å; F121-V123 HydrophobicContact CZ-CG2 4.29Å |
| 124 | A | 96.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | trans | -155.3 | 149.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D97 P98 V122 | D97-A124 CarbonylContact C-O 3.5Å; D97-A124 PolarHBondContact O-N 3.35Å; P98-A124 WeakPolarHBondContact CD-O 3.49Å; P98-A124 VanDerWaalsContact N-O 3.1Å; V122-A124 HydrophobicContact CG1-CB 4Å; V122-A124 PolarHBondContact O-N 2.74Å; V122-A124 VanDerWaalsContact O-N 3.1Å | ||
| 125 | S | 96.8 | Very high | 97 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | trans | -87.3 | 162.3 | 171.9 | 87.1 | 0 | 0 | 0 | 0 | 110.5 | E127 D128 M129 | S125-E127 WeakPolarHBondContact CB-OE2 3.48Å; S125-E127 PolarHBondContact O-N 2.85Å; S125-E127 PolarHBondContact OG-N 3.17Å; S125-E127 PolarHBondContact OG-OE2 3.22Å; S125-D128 CarbonylContact O-C 3.52Å; S125-D128 PolarHBondContact O-N 3.37Å; S125-M129 WeakPolarHBondContact O-CG 3.27Å | ||
| 126 | G | 96.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M129 T155 | G126-M129 WeakPolarHBondContact O-CE 3.32Å; G126-T155 VanDerWaalsContact O-CA 3.3Å; G126-T155 WeakPolarHBondContact O-CA 3.35Å |
| 127 | E | 97.4 | Very high | 96.9 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -19.8 | 179.3 | -53.7 | 89.8 | 153.8 | 0 | 0 | 114 | S125 V149 N150 N151 R154 | S125-E127 WeakPolarHBondContact CB-OE2 3.48Å; S125-E127 PolarHBondContact O-N 2.85Å; S125-E127 PolarHBondContact OG-N 3.17Å; S125-E127 PolarHBondContact OG-OE2 3.22Å; E127-V149 WeakPolarHBondContact OE1-CA 3.48Å; E127-V149 VanDerWaalsContact OE1-CB 3.3Å; E127-V149 WeakPolarHBondContact OE1-CB 3.15Å; E127-N150 WeakPolarHBondContact OE1-CA 3.39Å; E127-N150 WeakPolarHBondContact OE1-CB 2.96Å; E127-N150 PolarHBondContact OE1-N 3.12Å; E127-N151 HydrophobicContact CG-CB 4.02Å; E127-N151 PolarHBondContact OE1-N 2.94Å; E127-R154 HydrophobicContact CB-CB 4.32Å; E127-R154 HydrophobicContact CB-CG 3.83Å; E127-R154 HydrophobicContact CG-CB 4.4Å; E127-R154 HydrophobicContact CG-CG 4.44Å; E127-R154 WeakPolarHBondContact O-CG 3.36Å; E127-R154 PolarHBondContact O-NE 3.02Å |
| 128 | D | 96.6 | Very high | 97 | Very high | 110 Ų | 110 | 53 Ų | 53 | 59% | 0.588 | 30% | 0.297 | S | S | * | . | trans | -132.4 | 89.1 | -178.1 | -175.5 | 5.2 | 0 | 0 | 0 | 110.3 | S125 G130 | S125-D128 CarbonylContact O-C 3.52Å; S125-D128 PolarHBondContact O-N 3.37Å; D128-G130 PolarHBondContact OD1-N 2.73Å | ||
| 129 | M | 96 | Very high | 97 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | trans | -114 | 37.1 | 178.8 | -68.8 | -174.7 | -80.3 | 0 | 0 | 111.6 | L74 I76 S125 G126 A131 V132 E158 R161 I162 | L74-M129 HydrophobicContact CD2-SD 4Å; I76-M129 HydrophobicContact CD1-CE 3.47Å; I76-M129 VanDerWaalsContact CD1-CE 3.47Å; I76-M129 HydrophobicContact CD1-SD 3.63Å; I76-M129 HydrophobicContact CG1-CE 4.24Å; I76-M129 HydrophobicContact CG1-SD 3.71Å; I76-M129 HydrophobicContact CG2-SD 4.44Å; S125-M129 WeakPolarHBondContact O-CG 3.27Å; G126-M129 WeakPolarHBondContact O-CE 3.32Å; M129-A131 PolarHBondContact O-N 3.36Å; M129-A131 VanDerWaalsContact O-N 3.07Å; M129-V132 PolarHBondContact O-N 2.79Å; M129-E158 WeakPolarHBondContact CA-OE2 3.14Å; M129-E158 HydrophobicContact CB-CB 4.47Å; M129-E158 WeakPolarHBondContact CB-OE2 3.44Å; M129-E158 HydrophobicContact CE-CB 3.18Å; M129-E158 HydrophobicContact CE-CG 4.22Å; M129-E158 PolarHBondContact N-OE2 3.39Å; M129-E158 VanDerWaalsContact N-OE2 3.07Å; M129-R161 PolarHBondContact O-NH2 3.38Å; M129-I162 HydrophobicContact CB-CD1 3.63Å; M129-I162 HydrophobicContact CE-CD1 3.86Å; M129-I162 HydrophobicContact CG-CD1 4.33Å; M129-I162 HydrophobicContact SD-CD1 3.75Å | ||
| 130 | G | 94.7 | Very high | 97.2 | Very high | 62 Ų | 62 | 46.7 Ų | 46.7 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D128 V132 | D128-G130 PolarHBondContact OD1-N 2.73Å; G130-V132 PolarHBondContact O-N 3.15Å |
| 131 | A | 94.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | R120 V122 M129 | R120-A131 PolarHBondContact NH2-O 2.8Å; V122-A131 HydrophobicContact CG1-CB 3.86Å; M129-A131 PolarHBondContact O-N 3.36Å; M129-A131 VanDerWaalsContact O-N 3.07Å |
| 132 | V | 96.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -112 | 128.4 | 177.2 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | L74 M129 G130 R161 I162 | L74-V132 HydrophobicContact CD1-CG2 4.4Å; L74-V132 HydrophobicContact CD2-CG1 4.31Å; L74-V132 HydrophobicContact CD2-CG2 4.46Å; M129-V132 PolarHBondContact O-N 2.79Å; G130-V132 PolarHBondContact O-N 3.15Å; V132-R161 PolarHBondContact O-NH1 3.37Å; V132-R161 PolarHBondContact O-NH2 2.99Å; V132-I162 HydrophobicContact CB-CD1 3.88Å; V132-I162 HydrophobicContact CB-CG1 4.17Å; V132-I162 HydrophobicContact CG1-CB 4.46Å; V132-I162 HydrophobicContact CG1-CD1 4.05Å; V132-I162 HydrophobicContact CG1-CG1 4.02Å; V132-I162 HydrophobicContact CG1-CG2 3.59Å |
| 133 | K | 97.6 | Very high | 97.3 | Very high | 169 Ų | 169 | 40.3 Ų | 40.3 | 74% | 0.735 | 24% | 0.244 | S | C | * | . | trans | -72.4 | 151.5 | -175.4 | -63.2 | -179.7 | -178.2 | -178.6 | 0 | 111.3 | S136 | K133-S136 VanDerWaalsContact O-CB 3.29Å; K133-S136 WeakPolarHBondContact O-CB 3.3Å; K133-S136 PolarHBondContact O-OG 3.39Å | ||
| 134 | D | 98.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 148.3 | 169.1 | -59.5 | 34.1 | 0 | 0 | 0 | 110.3 | S136 R161 | D134-S136 PolarHBondContact O-N 2.82Å; D134-R161 WeakPolarHBondContact CA-O 3.36Å; D134-R161 HydrophobicContact CB-CG 4.2Å; D134-R161 VanDerWaalsContact CG-CG 3.46Å; D134-R161 WeakPolarHBondContact OD1-CD 2.89Å; D134-R161 IonicContact OD1-CZ 3.47Å; D134-R161 IonicContact OD1-NE 3.74Å; D134-R161 IonicContact OD1-NH1 3.8Å; D134-R161 PolarHBondContact OD1-NH1 3.3Å; D134-R161 WeakPolarHBondContact OD2-CG 3.4Å |
| 135 | D | 97.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 33.9 | 174.7 | -60.3 | -39.9 | 0 | 0 | 0 | 115 | R161 I162 R164 P165 K242 | D135-R161 PolarHBondContact N-O 3.26Å; D135-I162 CarbonylContact C-O 3.45Å; D135-I162 WeakPolarHBondContact CA-O 3.38Å; D135-I162 PolarHBondContact N-O 2.85Å; D135-R164 HydrophobicContact CB-CB 4.41Å; D135-P165 WeakPolarHBondContact OD1-CD 3.37Å; D135-K242 IonicContact OD1-NZ 3.28Å; D135-K242 PolarHBondContact OD1-NZ 3.33Å |
| 136 | S | 97.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 30% | 0.301 | 22% | 0.218 | S | C | . | . | trans | -106 | -12.7 | -165.9 | 70.5 | 0 | 0 | 0 | 0 | 115.2 | K133 D134 I162 | K133-S136 VanDerWaalsContact O-CB 3.29Å; K133-S136 WeakPolarHBondContact O-CB 3.3Å; K133-S136 PolarHBondContact O-OG 3.39Å; D134-S136 PolarHBondContact O-N 2.82Å; S136-I162 PolarHBondContact N-O 3.29Å | ||
| 137 | V | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.4 | 180 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | R72 L74 V140 I162 L163 R164 | R72-V137 HydrophobicContact CB-CB 4.45Å; L74-V137 HydrophobicContact CB-CG1 4.15Å; L74-V137 HydrophobicContact CB-CG2 4.2Å; V137-V140 HydrophobicContact CG2-CG2 3.8Å; V137-I162 HydrophobicContact CB-CG2 4.49Å; V137-I162 HydrophobicContact CG1-CG2 4.18Å; V137-I162 HydrophobicContact CG2-CG2 3.6Å; V137-I162 PolarHBondContact N-O 3.39Å; V137-L163 HydrophobicContact CG2-CD2 4.22Å; V137-R164 WeakPolarHBondContact O-CG 3.46Å; V137-R164 PolarHBondContact O-N 3.34Å |
| 138 | D | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -39.5 | 177.6 | -59.2 | -63.6 | 0 | 0 | 0 | 111.1 | L71 R72 R164 G167 A168 | L71-D138 HydrophobicContact CD1-CB 3.5Å; L71-D138 HydrophobicContact CG-CB 4.49Å; R72-D138 PolarHBondContact N-OD2 3.14Å; R72-D138 PolarHBondContact O-N 3.43Å; D138-R164 WeakPolarHBondContact OD1-CD 3.39Å; D138-R164 IonicContact OD1-CZ 2.68Å; D138-R164 IonicContact OD1-NE 3.66Å; D138-R164 PolarHBondContact OD1-NE 3.15Å; D138-R164 IonicContact OD1-NH2 3.61Å; D138-G167 CarbonylContact O-C 3.57Å; D138-G167 WeakPolarHBondContact O-CA 3.5Å; D138-A168 PolarHBondContact O-N 2.78Å |
| 139 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.6 | -176.9 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L61 F64 L71 R72 I73 L74 V141 A168 Y170 | L61-V139 HydrophobicContact CD2-CB 4.28Å; L61-V139 HydrophobicContact CD2-CG1 3.67Å; L61-V139 HydrophobicContact CD2-CG2 3.94Å; F64-V139 HydrophobicContact CB-CG2 3.78Å; F64-V139 HydrophobicContact CD2-CG2 4.47Å; F64-V139 HydrophobicContact CG-CG2 4.24Å; L71-V139 HydrophobicContact CD1-CG2 4.16Å; R72-V139 PolarHBondContact O-N 3.49Å; R72-V139 VanDerWaalsContact O-N 3.09Å; I73-V139 CarbonylContact C-O 3.52Å; I73-V139 WeakPolarHBondContact CA-O 3.5Å; I73-V139 HydrophobicContact CG1-CB 4.32Å; I73-V139 HydrophobicContact CG2-CG1 4.43Å; L74-V139 PolarHBondContact N-O 2.85Å; V139-V141 HydrophobicContact CG1-CG2 3.84Å; V139-A168 CarbonylContact C-O 3.46Å; V139-A168 VanDerWaalsContact CA-O 3.28Å; V139-A168 WeakPolarHBondContact CA-O 3.41Å; V139-Y170 HydrophobicContact CG1-CD2 3.67Å; V139-Y170 HydrophobicContact CG1-CE2 4.14Å; V139-Y170 HydrophobicContact CG2-CE2 4.27Å |
| 140 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.8 | 164.4 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | L74 I76 V137 A159 I162 L163 A168 L169 Y170 | L74-V140 HydrophobicContact CB-CG2 4.27Å; L74-V140 HydrophobicContact CD2-CG2 4.34Å; L74-V140 CarbonylContact O-C 3.46Å; L74-V140 VanDerWaalsContact O-CA 3.31Å; L74-V140 WeakPolarHBondContact O-CA 3.29Å; I76-V140 HydrophobicContact CD1-CG1 3.36Å; I76-V140 HydrophobicContact CG1-CG1 3.87Å; V137-V140 HydrophobicContact CG2-CG2 3.8Å; V140-A159 HydrophobicContact CG1-CB 4.03Å; V140-I162 HydrophobicContact CG2-CG2 4.4Å; V140-L163 HydrophobicContact CB-CD2 4.17Å; V140-L163 HydrophobicContact CB-CG 4.28Å; V140-L163 HydrophobicContact CG2-CD1 4.36Å; V140-L163 HydrophobicContact CG2-CD2 3.7Å; V140-L163 HydrophobicContact CG2-CG 3.66Å; V140-A168 PolarHBondContact N-O 3.31Å; V140-L169 HydrophobicContact CB-CD1 3.98Å; V140-L169 HydrophobicContact CG1-CD1 3.63Å; V140-L169 CarbonylContact O-C 3.54Å; V140-L169 VanDerWaalsContact O-CA 3.31Å; V140-L169 WeakPolarHBondContact O-CA 3.33Å; V140-Y170 PolarHBondContact O-N 3.3Å |
| 141 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | F58 I73 L74 E75 I76 Y87 V139 T143 | F58-V141 HydrophobicContact CE1-CG1 3.92Å; F58-V141 HydrophobicContact CE1-CG2 4.1Å; F58-V141 HydrophobicContact CZ-CG1 3.9Å; I73-V141 HydrophobicContact CG2-CB 4.49Å; I73-V141 HydrophobicContact CG2-CG2 3.75Å; L74-V141 PolarHBondContact O-N 3.1Å; E75-V141 HydrophobicContact CG-CB 4.31Å; I76-V141 PolarHBondContact N-O 3.43Å; Y87-V141 HydrophobicContact CE1-CG2 4.21Å; Y87-V141 WeakPolarHBondContact OH-CB 3.43Å; Y87-V141 WeakPolarHBondContact OH-CG1 3.22Å; Y87-V141 WeakPolarHBondContact OH-CG2 3.04Å; V139-V141 HydrophobicContact CG1-CG2 3.84Å; V141-T143 HydrophobicContact CG1-CG2 3.74Å |
| 142 | C | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 93 | -178.3 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | L169 Y170 F171 L172 | C142-L169 HydrophobicContact CB-CD1 3.86Å; C142-Y170 PolarHBondContact N-O 3.37Å; C142-F171 VanDerWaalsContact O-CA 3.25Å; C142-F171 WeakPolarHBondContact O-CA 3.49Å; C142-L172 PolarHBondContact O-N 2.88Å |
| 143 | T | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.5 | -174.8 | 63 | 0 | 0 | 0 | 0 | 111.9 | F58 N83 V141 V145 L172 | F58-T143 HydrophobicContact CZ-CG2 4.25Å; N83-T143 PolarHBondContact ND2-OG1 3.31Å; V141-T143 HydrophobicContact CG1-CG2 3.74Å; T143-V145 VanDerWaalsContact C-N 3.34Å; T143-L172 CarbonylContact C-O 3.45Å; T143-L172 VanDerWaalsContact CA-O 3.3Å; T143-L172 WeakPolarHBondContact CA-O 3.32Å; T143-L172 HydrophobicContact CG2-CB 3.79Å |
| 144 | L | 97.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 60.4 | 41.9 | -174.1 | -49.8 | 177.6 | 0 | 0 | 0 | 112.5 | Y46 L172 E173 | Y46-L144 HydrophobicContact CE1-CD1 4.19Å; Y46-L144 HydrophobicContact CE2-CD1 3.81Å; L144-L172 HydrophobicContact CD2-CD2 4.02Å; L144-L172 HydrophobicContact CG-CD2 4.48Å; L144-L172 PolarHBondContact N-O 3.39Å; L144-E173 WeakPolarHBondContact CA-OE1 3.45Å; L144-E173 PolarHBondContact N-OE1 2.91Å |
| 145 | V | 97.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 9% | 0.085 | 18% | 0.179 | C | C | . | . | trans | -125.2 | -43.7 | -173.2 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | I76 T143 C147 S148 V149 E173 | I76-V145 HydrophobicContact CG2-CG1 4.15Å; I76-V145 WeakPolarHBondContact O-CG2 3.43Å; T143-V145 VanDerWaalsContact C-N 3.34Å; V145-C147 PolarHBondContact O-N 2.79Å; V145-C147 VanDerWaalsContact O-N 3.14Å; V145-S148 PolarHBondContact O-N 3.19Å; V145-V149 HydrophobicContact CG1-CG1 3.95Å; V145-V149 PolarHBondContact O-N 2.85Å; V145-V149 VanDerWaalsContact O-N 3.14Å; V145-E173 PolarHBondContact N-OE1 3.29Å; V145-E173 PolarHBondContact N-OE2 3.29Å | ||
| 146 | L | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.8 | -179.6 | -58.3 | -179.1 | 0 | 0 | 0 | 111.6 | S148 I152 T155 L156 E173 R205 T207 L211 | L146-S148 VanDerWaalsContact C-N 3.25Å; L146-S148 PolarHBondContact O-N 3.32Å; L146-I152 HydrophobicContact CB-CG1 4.46Å; L146-I152 HydrophobicContact CD2-CG2 4.33Å; L146-I152 WeakPolarHBondContact O-CD1 3.28Å; L146-I152 VanDerWaalsContact O-CG1 3.26Å; L146-I152 WeakPolarHBondContact O-CG1 3.22Å; L146-T155 HydrophobicContact CD2-CG2 3.91Å; L146-L156 HydrophobicContact CD1-CD2 4Å; L146-L156 HydrophobicContact CD2-CD2 4.09Å; L146-L156 HydrophobicContact CD2-CG 4.46Å; L146-E173 WeakPolarHBondContact CA-OE2 3.4Å; L146-E173 HydrophobicContact CB-CG 4.21Å; L146-E173 WeakPolarHBondContact CB-OE2 3.13Å; L146-E173 HydrophobicContact CD1-CG 4.29Å; L146-E173 HydrophobicContact CG-CG 4.39Å; L146-E173 PolarHBondContact N-OE1 2.95Å; L146-E173 PolarHBondContact N-OE2 2.92Å; L146-R205 PolarHBondContact O-NH1 3.06Å; L146-T207 HydrophobicContact CB-CG2 3.9Å; L146-L211 HydrophobicContact CD1-CD2 4.29Å; L146-L211 HydrophobicContact CD1-CG 4.43Å |
| 147 | C | 95.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.3 | 171.4 | 65 | 0 | 0 | 0 | 0 | 114.6 | V145 E173 H174 C201 E202 R205 | V145-C147 PolarHBondContact O-N 2.79Å; V145-C147 VanDerWaalsContact O-N 3.14Å; C147-E173 PolarHBondContact N-OE2 3.36Å; C147-H174 WeakPolarHBondContact CB-CE1 3.09Å; C147-H174 PolarHBondContact SG-NE2 3.08Å; C147-C201 VanDerWaalsContact SG-SG 3.64Å; C147-E202 PolarHBondContact O-N 2.99Å; C147-R205 WeakPolarHBondContact O-CD 3.12Å; C147-R205 PolarHBondContact O-NH1 3.27Å |
| 148 | S | 95.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -19.2 | -171.8 | -55.4 | 0 | 0 | 0 | 0 | 114.4 | V145 L146 C201 | V145-S148 PolarHBondContact O-N 3.19Å; L146-S148 VanDerWaalsContact C-N 3.25Å; L146-S148 PolarHBondContact O-N 3.32Å; S148-C201 WeakPolarHBondContact OG-CA 3.36Å; S148-C201 WeakPolarHBondContact OG-CB 3.33Å |
| 149 | V | 96.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | trans | -63.4 | 149.7 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | E127 V145 I152 T155 R205 | E127-V149 WeakPolarHBondContact OE1-CA 3.48Å; E127-V149 VanDerWaalsContact OE1-CB 3.3Å; E127-V149 WeakPolarHBondContact OE1-CB 3.15Å; V145-V149 HydrophobicContact CG1-CG1 3.95Å; V145-V149 PolarHBondContact O-N 2.85Å; V145-V149 VanDerWaalsContact O-N 3.14Å; V149-I152 HydrophobicContact CG2-CB 4.32Å; V149-I152 HydrophobicContact CG2-CG1 3.59Å; V149-T155 HydrophobicContact CG1-CG2 4.35Å; V149-R205 VanDerWaalsContact O-CZ 3.26Å; V149-R205 PolarHBondContact O-NH1 2.96Å; V149-R205 PolarHBondContact O-NH2 3.08Å | ||
| 150 | N | 95.3 | Very high | 97.7 | Very high | 141 Ų | 141 | 34.2 Ų | 34.2 | 75% | 0.754 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -72.6 | -31.5 | 175 | -66.4 | -46.9 | 0 | 0 | 0 | 112.1 | E127 | E127-N150 WeakPolarHBondContact OE1-CA 3.39Å; E127-N150 WeakPolarHBondContact OE1-CB 2.96Å; E127-N150 PolarHBondContact OE1-N 3.12Å |
| 151 | N | 97.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 36.7 Ų | 36.7 | 41% | 0.406 | 19% | 0.187 | S | C | . | . | trans | -139 | 93 | -178 | -171.1 | -31.4 | 0 | 0 | 0 | 111.9 | E127 P153 R154 T155 | E127-N151 HydrophobicContact CG-CB 4.02Å; E127-N151 PolarHBondContact OE1-N 2.94Å; N151-P153 WeakPolarHBondContact OD1-CD 3.2Å; N151-R154 HydrophobicContact CB-CB 3.92Å; N151-R154 VanDerWaalsContact CG-CB 3.49Å; N151-R154 PolarHBondContact O-N 3.28Å; N151-R154 WeakPolarHBondContact OD1-CB 3.32Å; N151-R154 PolarHBondContact OD1-N 3.4Å; N151-T155 PolarHBondContact O-N 3.46Å; N151-T155 PolarHBondContact O-OG1 3.21Å | ||
| 152 | I | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 178.8 | -61.5 | 165.4 | 0 | 0 | 0 | 112.1 | L146 V149 R154 T155 L156 T207 H210 | L146-I152 HydrophobicContact CB-CG1 4.46Å; L146-I152 HydrophobicContact CD2-CG2 4.33Å; L146-I152 WeakPolarHBondContact O-CD1 3.28Å; L146-I152 VanDerWaalsContact O-CG1 3.26Å; L146-I152 WeakPolarHBondContact O-CG1 3.22Å; V149-I152 HydrophobicContact CG2-CB 4.32Å; V149-I152 HydrophobicContact CG2-CG1 3.59Å; I152-R154 PolarHBondContact O-N 3.48Å; I152-T155 PolarHBondContact O-N 3.42Å; I152-T155 VanDerWaalsContact O-N 3.13Å; I152-L156 HydrophobicContact CG2-CD1 3.77Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 3.49Å; I152-T207 HydrophobicContact CD1-CG2 4.1Å; I152-H210 HydrophobicContact CG2-CB 3.51Å |
| 153 | P | 98.1 | Very high | 97.7 | Very high | 57 Ų | 57 | 36.5 Ų | 36.5 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -52.7 | -43 | 176.7 | -28.4 | 33.8 | 0 | 0 | 0 | 113.2 | N151 L156 Q157 | N151-P153 WeakPolarHBondContact OD1-CD 3.2Å; P153-L156 PolarHBondContact O-N 2.97Å; P153-Q157 WeakPolarHBondContact O-CB 3.42Å; P153-Q157 VanDerWaalsContact O-CG 3.24Å; P153-Q157 WeakPolarHBondContact O-CG 3.31Å; P153-Q157 PolarHBondContact O-N 3.18Å |
| 154 | R | 98.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 37.2 Ų | 37.2 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.8 | -176.5 | 60.6 | -177.9 | 177.7 | 4.2 | 112 | E127 N151 I152 L156 Q157 E158 | E127-R154 HydrophobicContact CB-CB 4.32Å; E127-R154 HydrophobicContact CB-CG 3.83Å; E127-R154 HydrophobicContact CG-CB 4.4Å; E127-R154 HydrophobicContact CG-CG 4.44Å; E127-R154 WeakPolarHBondContact O-CG 3.36Å; E127-R154 PolarHBondContact O-NE 3.02Å; N151-R154 HydrophobicContact CB-CB 3.92Å; N151-R154 VanDerWaalsContact CG-CB 3.49Å; N151-R154 PolarHBondContact O-N 3.28Å; N151-R154 WeakPolarHBondContact OD1-CB 3.32Å; N151-R154 PolarHBondContact OD1-N 3.4Å; I152-R154 PolarHBondContact O-N 3.48Å; R154-L156 VanDerWaalsContact C-N 3.34Å; R154-L156 PolarHBondContact O-N 3.26Å; R154-Q157 WeakPolarHBondContact O-CB 3.37Å; R154-Q157 PolarHBondContact O-N 2.84Å; R154-E158 IonicContact NH2-OE1 2.71Å; R154-E158 PolarHBondContact O-N 3.49Å |
| 155 | T | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 175 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | G126 L146 V149 N151 I152 E158 A159 | G126-T155 VanDerWaalsContact O-CA 3.3Å; G126-T155 WeakPolarHBondContact O-CA 3.35Å; L146-T155 HydrophobicContact CD2-CG2 3.91Å; V149-T155 HydrophobicContact CG1-CG2 4.35Å; N151-T155 PolarHBondContact O-N 3.46Å; N151-T155 PolarHBondContact O-OG1 3.21Å; I152-T155 PolarHBondContact O-N 3.42Å; I152-T155 VanDerWaalsContact O-N 3.13Å; T155-E158 PolarHBondContact O-N 2.63Å; T155-A159 PolarHBondContact O-N 3.21Å |
| 156 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.9 | -36.3 | 177.7 | -65.5 | 176.7 | 0 | 0 | 0 | 112 | L146 I152 P153 R154 A159 H160 L169 H210 L211 A214 | L146-L156 HydrophobicContact CD1-CD2 4Å; L146-L156 HydrophobicContact CD2-CD2 4.09Å; L146-L156 HydrophobicContact CD2-CG 4.46Å; I152-L156 HydrophobicContact CG2-CD1 3.77Å; I152-L156 HydrophobicContact CG2-CG 4.14Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 3.49Å; P153-L156 PolarHBondContact O-N 2.97Å; R154-L156 VanDerWaalsContact C-N 3.34Å; R154-L156 PolarHBondContact O-N 3.26Å; L156-A159 PolarHBondContact O-N 3.39Å; L156-H160 VanDerWaalsContact O-CB 3.31Å; L156-H160 WeakPolarHBondContact O-CB 3.5Å; L156-H160 PolarHBondContact O-N 3.36Å; L156-L169 HydrophobicContact CD2-CD2 3.61Å; L156-H210 HydrophobicContact CD1-CB 3.84Å; L156-L211 HydrophobicContact CD1-CD2 4.22Å; L156-L211 HydrophobicContact CD2-CD2 3.76Å; L156-A214 HydrophobicContact CB-CB 4.04Å; L156-A214 HydrophobicContact CD1-CB 3.85Å; L156-A214 HydrophobicContact CG-CB 4.47Å |
| 157 | Q | 98.5 | Very high | 97.8 | Very high | 108 Ų | 108 | 39.4 Ų | 39.4 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.6 | -76.3 | 169.7 | 4.4 | 0 | 0 | 112.2 | P153 R154 H160 R161 | P153-Q157 WeakPolarHBondContact O-CB 3.42Å; P153-Q157 VanDerWaalsContact O-CG 3.24Å; P153-Q157 WeakPolarHBondContact O-CG 3.31Å; P153-Q157 PolarHBondContact O-N 3.18Å; R154-Q157 WeakPolarHBondContact O-CB 3.37Å; R154-Q157 PolarHBondContact O-N 2.84Å; Q157-H160 PolarHBondContact O-N 2.87Å; Q157-R161 WeakPolarHBondContact O-CB 3.08Å; Q157-R161 PolarHBondContact O-N 2.8Å |
| 158 | E | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 177.6 | -73.4 | -73.3 | 95.3 | 0 | 0 | 111.5 | M129 R154 T155 H160 R161 I162 | M129-E158 WeakPolarHBondContact CA-OE2 3.14Å; M129-E158 HydrophobicContact CB-CB 4.47Å; M129-E158 WeakPolarHBondContact CB-OE2 3.44Å; M129-E158 HydrophobicContact CE-CB 3.18Å; M129-E158 HydrophobicContact CE-CG 4.22Å; M129-E158 PolarHBondContact N-OE2 3.39Å; M129-E158 VanDerWaalsContact N-OE2 3.07Å; R154-E158 IonicContact NH2-OE1 2.71Å; R154-E158 PolarHBondContact O-N 3.49Å; T155-E158 PolarHBondContact O-N 2.63Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.28Å; E158-R161 PolarHBondContact O-N 3.48Å; E158-R161 IonicContact OE1-CZ 3.77Å; E158-R161 IonicContact OE1-NE 3.64Å; E158-R161 PolarHBondContact OE1-NE 2.92Å; E158-R161 IonicContact OE1-NH2 2.73Å; E158-R161 IonicContact OE2-CZ 2.65Å; E158-R161 IonicContact OE2-NE 3.94Å; E158-R161 IonicContact OE2-NH2 3.75Å; E158-R161 PolarHBondContact OE2-NH2 3.44Å; E158-I162 WeakPolarHBondContact O-CB 3.35Å; E158-I162 WeakPolarHBondContact O-CD1 3.4Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.12Å |
| 159 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I76 V140 T155 L156 I162 L163 L169 | I76-A159 HydrophobicContact CD1-CB 4.18Å; V140-A159 HydrophobicContact CG1-CB 4.03Å; T155-A159 PolarHBondContact O-N 3.21Å; L156-A159 PolarHBondContact O-N 3.39Å; A159-I162 PolarHBondContact O-N 2.98Å; A159-L163 VanDerWaalsContact O-CG 3.26Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 3.29Å; A159-L169 HydrophobicContact CB-CD1 4.3Å |
| 160 | H | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.1 | -171.1 | -78.9 | 0 | 0 | 0 | 112.5 | L156 Q157 E158 I162 F216 K242 | L156-H160 VanDerWaalsContact O-CB 3.31Å; L156-H160 WeakPolarHBondContact O-CB 3.5Å; L156-H160 PolarHBondContact O-N 3.36Å; Q157-H160 PolarHBondContact O-N 2.87Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.28Å; H160-I162 PolarHBondContact O-N 3.41Å; H160-F216 HydrophobicContact CB-CE1 4.3Å; H160-F216 HydrophobicContact CB-CZ 4.25Å; H160-F216 AromaticContact CD2-CD1 3.78Å; H160-F216 AromaticContact CD2-CE1 3.73Å; H160-K242 VanDerWaalsContact O-CD 3.23Å; H160-K242 WeakPolarHBondContact O-CD 3.24Å; H160-K242 VanDerWaalsContact O-CE 3.23Å; H160-K242 WeakPolarHBondContact O-CE 3.36Å; H160-K242 PolarHBondContact O-NZ 3.23Å |
| 161 | R | 98.3 | Very high | 98.4 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 19% | 0.192 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.7 | 179.8 | -175.9 | 62.1 | 75.5 | 0 | 111.7 | M129 V132 D134 D135 Q157 E158 | M129-R161 PolarHBondContact O-NH2 3.38Å; V132-R161 PolarHBondContact O-NH1 3.37Å; V132-R161 PolarHBondContact O-NH2 2.99Å; D134-R161 WeakPolarHBondContact CA-O 3.36Å; D134-R161 HydrophobicContact CB-CG 4.2Å; D134-R161 VanDerWaalsContact CG-CG 3.46Å; D134-R161 WeakPolarHBondContact OD1-CD 2.89Å; D134-R161 IonicContact OD1-CZ 3.47Å; D134-R161 IonicContact OD1-NE 3.74Å; D134-R161 IonicContact OD1-NH1 3.8Å; D134-R161 PolarHBondContact OD1-NH1 3.3Å; D134-R161 WeakPolarHBondContact OD2-CG 3.4Å; D135-R161 PolarHBondContact N-O 3.26Å; Q157-R161 WeakPolarHBondContact O-CB 3.08Å; Q157-R161 PolarHBondContact O-N 2.8Å; E158-R161 PolarHBondContact O-N 3.48Å; E158-R161 IonicContact OE1-CZ 3.77Å; E158-R161 IonicContact OE1-NE 3.64Å; E158-R161 PolarHBondContact OE1-NE 2.92Å; E158-R161 IonicContact OE1-NH2 2.73Å; E158-R161 IonicContact OE2-CZ 2.65Å; E158-R161 IonicContact OE2-NE 3.94Å; E158-R161 IonicContact OE2-NH2 3.75Å; E158-R161 PolarHBondContact OE2-NH2 3.44Å |
| 162 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.2 | -35.3 | -173.3 | -70.3 | 163.3 | 0 | 0 | 0 | 112.4 | L74 M129 V132 D135 S136 V137 V140 E158 A159 H160 R164 | L74-I162 HydrophobicContact CD2-CD1 3.9Å; L74-I162 HydrophobicContact CD2-CG2 3.86Å; M129-I162 HydrophobicContact CB-CD1 3.63Å; M129-I162 HydrophobicContact CE-CD1 3.86Å; M129-I162 HydrophobicContact CG-CD1 4.33Å; M129-I162 HydrophobicContact SD-CD1 3.75Å; V132-I162 HydrophobicContact CB-CD1 3.88Å; V132-I162 HydrophobicContact CB-CG1 4.17Å; V132-I162 HydrophobicContact CG1-CB 4.46Å; V132-I162 HydrophobicContact CG1-CD1 4.05Å; V132-I162 HydrophobicContact CG1-CG1 4.02Å; V132-I162 HydrophobicContact CG1-CG2 3.59Å; D135-I162 CarbonylContact C-O 3.45Å; D135-I162 WeakPolarHBondContact CA-O 3.38Å; D135-I162 PolarHBondContact N-O 2.85Å; S136-I162 PolarHBondContact N-O 3.29Å; V137-I162 HydrophobicContact CB-CG2 4.49Å; V137-I162 HydrophobicContact CG1-CG2 4.18Å; V137-I162 HydrophobicContact CG2-CG2 3.6Å; V137-I162 PolarHBondContact N-O 3.39Å; V140-I162 HydrophobicContact CG2-CG2 4.4Å; E158-I162 WeakPolarHBondContact O-CB 3.35Å; E158-I162 WeakPolarHBondContact O-CD1 3.4Å; E158-I162 WeakPolarHBondContact O-CG1 3.43Å; E158-I162 PolarHBondContact O-N 3.12Å; A159-I162 PolarHBondContact O-N 2.98Å; H160-I162 PolarHBondContact O-N 3.41Å; I162-R164 PolarHBondContact O-N 3.13Å |
| 163 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 134 | 174.9 | -78.6 | 169.3 | 0 | 0 | 0 | 110.5 | V137 V140 A159 A168 L169 F216 K242 | V137-L163 HydrophobicContact CG2-CD2 4.22Å; V140-L163 HydrophobicContact CB-CD2 4.17Å; V140-L163 HydrophobicContact CB-CG 4.28Å; V140-L163 HydrophobicContact CG2-CD1 4.36Å; V140-L163 HydrophobicContact CG2-CD2 3.7Å; V140-L163 HydrophobicContact CG2-CG 3.66Å; A159-L163 VanDerWaalsContact O-CG 3.26Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 3.29Å; L163-A168 WeakPolarHBondContact CD2-O 3.26Å; L163-L169 HydrophobicContact CD1-CB 4.08Å; L163-F216 HydrophobicContact CD1-CE1 3.91Å; L163-K242 HydrophobicContact CB-CB 4.27Å; L163-K242 HydrophobicContact CB-CD 3.87Å; L163-K242 WeakPolarHBondContact O-CD 3.32Å; L163-K242 WeakPolarHBondContact O-CE 3.43Å; L163-K242 PolarHBondContact O-NZ 3.08Å |
| 164 | R | 97.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 24 Ų | 24 | 14% | 0.136 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 159.7 | 165.4 | 68.6 | 172.8 | -178.3 | 78.2 | -2 | 110.9 | F64 D135 V137 D138 I162 G166 G167 | F64-R164 PolarHBondContact O-NH2 2.74Å; D135-R164 HydrophobicContact CB-CB 4.41Å; V137-R164 WeakPolarHBondContact O-CG 3.46Å; V137-R164 PolarHBondContact O-N 3.34Å; D138-R164 WeakPolarHBondContact OD1-CD 3.39Å; D138-R164 IonicContact OD1-CZ 2.68Å; D138-R164 IonicContact OD1-NE 3.66Å; D138-R164 PolarHBondContact OD1-NE 3.15Å; D138-R164 IonicContact OD1-NH2 3.61Å; I162-R164 PolarHBondContact O-N 3.13Å; R164-G166 PolarHBondContact O-N 3.18Å; R164-G167 PolarHBondContact O-N 3.13Å |
| 165 | P | 97.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 18.9 Ų | 18.9 | 55% | 0.552 | 10% | 0.102 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132.3 | 167.5 | -24.7 | 35.3 | 0 | 0 | 0 | 111.2 | D135 G167 | D135-P165 WeakPolarHBondContact OD1-CD 3.37Å; P165-G167 VanDerWaalsContact C-N 3.26Å; P165-G167 PolarHBondContact O-N 3.46Å |
| 166 | G | 97.6 | Very high | 98.2 | Very high | 35 Ų | 35 | 19.8 Ų | 19.8 | 36% | 0.361 | 11% | 0.107 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | 10.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | R164 K242 | R164-G166 PolarHBondContact O-N 3.18Å; G166-K242 WeakPolarHBondContact CA-O 3.3Å; G166-K242 PolarHBondContact N-O 3.36Å |
| 167 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 168.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D138 R164 P165 V241 K242 | D138-G167 CarbonylContact O-C 3.57Å; D138-G167 WeakPolarHBondContact O-CA 3.5Å; R164-G167 PolarHBondContact O-N 3.13Å; P165-G167 VanDerWaalsContact C-N 3.26Å; P165-G167 PolarHBondContact O-N 3.46Å; G167-V241 WeakPolarHBondContact O-CA 3.2Å; G167-K242 PolarHBondContact O-N 2.91Å |
| 168 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F64 D138 V139 V140 L163 Y170 Y239 A240 V241 | F64-A168 HydrophobicContact CD1-CB 3.72Å; F64-A168 HydrophobicContact CD2-CB 4.17Å; F64-A168 HydrophobicContact CE1-CB 3.45Å; F64-A168 VanDerWaalsContact CE1-CB 3.45Å; F64-A168 HydrophobicContact CE2-CB 3.93Å; F64-A168 HydrophobicContact CG-CB 4.07Å; F64-A168 HydrophobicContact CZ-CB 3.56Å; D138-A168 PolarHBondContact O-N 2.78Å; V139-A168 CarbonylContact C-O 3.46Å; V139-A168 VanDerWaalsContact CA-O 3.28Å; V139-A168 WeakPolarHBondContact CA-O 3.41Å; V140-A168 PolarHBondContact N-O 3.31Å; L163-A168 WeakPolarHBondContact CD2-O 3.26Å; A168-Y170 HydrophobicContact CB-CD2 4.2Å; A168-Y170 HydrophobicContact CB-CE2 3.82Å; A168-Y239 HydrophobicContact CB-CD2 4.33Å; A168-A240 CarbonylContact C-O 3.59Å; A168-A240 WeakPolarHBondContact CA-O 3.45Å; A168-V241 HydrophobicContact CB-CG2 4.47Å |
| 169 | L | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.5 | 166.5 | 171.7 | 63.7 | 0 | 0 | 0 | 109.3 | V140 C142 L156 A159 L163 L211 F216 Y239 A240 | V140-L169 HydrophobicContact CB-CD1 3.98Å; V140-L169 HydrophobicContact CG1-CD1 3.63Å; V140-L169 CarbonylContact O-C 3.54Å; V140-L169 VanDerWaalsContact O-CA 3.31Å; V140-L169 WeakPolarHBondContact O-CA 3.33Å; C142-L169 HydrophobicContact CB-CD1 3.86Å; L156-L169 HydrophobicContact CD2-CD2 3.61Å; A159-L169 HydrophobicContact CB-CD1 4.3Å; L163-L169 HydrophobicContact CD1-CB 4.08Å; L169-L211 HydrophobicContact CD2-CD2 4.02Å; L169-F216 HydrophobicContact CB-CE1 4.03Å; L169-F216 HydrophobicContact CB-CZ 3.82Å; L169-F216 HydrophobicContact CD2-CE2 3.72Å; L169-F216 HydrophobicContact CD2-CZ 3.56Å; L169-F216 HydrophobicContact CG-CZ 4.34Å; L169-Y239 CarbonylContact O-C 3.52Å; L169-Y239 WeakPolarHBondContact O-CA 3.27Å; L169-Y239 WeakPolarHBondContact O-CB 3.22Å; L169-A240 PolarHBondContact N-O 3.36Å; L169-A240 PolarHBondContact O-N 3.41Å |
| 170 | Y | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.4 | 171 | -78.1 | -106.6 | 0 | 0 | 0 | 110.6 | L57 F58 N60 L61 F64 V139 V140 C142 A168 Y239 | L57-Y170 HydrophobicContact CD1-CD1 3.7Å; L57-Y170 HydrophobicContact CD1-CE1 4.39Å; L57-Y170 HydrophobicContact CG-CD1 4.11Å; L57-Y170 WeakPolarHBondContact O-CE1 3.43Å; F58-Y170 HydrophobicContact CD1-CD1 4.1Å; F58-Y170 HydrophobicContact CE1-CD1 4.31Å; F58-Y170 HydrophobicContact CE1-CG 4.47Å; N60-Y170 PolarHBondContact ND2-OH 3.28Å; N60-Y170 WeakPolarHBondContact OD1-CE1 3.34Å; N60-Y170 PolarHBondContact OD1-OH 3.1Å; L61-Y170 HydrophobicContact CD2-CD1 4.46Å; L61-Y170 HydrophobicContact CD2-CD2 3.89Å; L61-Y170 HydrophobicContact CD2-CE1 4.24Å; L61-Y170 HydrophobicContact CD2-CE2 3.6Å; L61-Y170 HydrophobicContact CD2-CG 4.29Å; F64-Y170 HydrophobicContact CD2-CE2 4.02Å; F64-Y170 WeakPolarHBondContact CD2-OH 3.09Å; F64-Y170 AromaticContact CE2-CE2 3.96Å; F64-Y170 HydrophobicContact CE2-CE2 3.96Å; F64-Y170 AromaticContact CE2-CZ 3.91Å; F64-Y170 WeakPolarHBondContact CE2-OH 3.44Å; V139-Y170 HydrophobicContact CG1-CD2 3.67Å; V139-Y170 HydrophobicContact CG1-CE2 4.14Å; V139-Y170 HydrophobicContact CG2-CE2 4.27Å; V140-Y170 PolarHBondContact O-N 3.3Å; C142-Y170 PolarHBondContact N-O 3.37Å; A168-Y170 HydrophobicContact CB-CD2 4.2Å; A168-Y170 HydrophobicContact CB-CE2 3.82Å; Y170-Y239 HydrophobicContact CE1-CD1 4.07Å; Y170-Y239 HydrophobicContact CE1-CG 4.2Å; Y170-Y239 HydrophobicContact CE2-CG 4.46Å |
| 171 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.9 | -178.5 | 59 | -94.9 | 0 | 0 | 0 | 113.4 | C142 L211 L219 L221 I236 I237 G238 | C142-F171 VanDerWaalsContact O-CA 3.25Å; C142-F171 WeakPolarHBondContact O-CA 3.49Å; F171-L211 HydrophobicContact CD1-CD1 3.94Å; F171-L211 HydrophobicContact CD1-CD2 3.97Å; F171-L211 HydrophobicContact CD2-CD1 3.71Å; F171-L211 HydrophobicContact CE1-CD1 3.96Å; F171-L211 HydrophobicContact CE1-CD2 4.21Å; F171-L211 HydrophobicContact CE2-CD1 3.74Å; F171-L211 HydrophobicContact CG-CD1 3.83Å; F171-L211 HydrophobicContact CG-CD2 4.43Å; F171-L211 HydrophobicContact CZ-CD1 3.88Å; F171-L219 HydrophobicContact CE1-CD1 3.79Å; F171-L219 HydrophobicContact CZ-CD1 3.85Å; F171-L221 HydrophobicContact CE2-CB 4.47Å; F171-L221 HydrophobicContact CE2-CD1 3.94Å; F171-L221 HydrophobicContact CE2-CG 4.04Å; F171-L221 HydrophobicContact CZ-CB 4.05Å; F171-L221 HydrophobicContact CZ-CD1 3.94Å; F171-L221 HydrophobicContact CZ-CG 4.07Å; F171-I236 HydrophobicContact CD2-CD1 4.2Å; F171-I236 HydrophobicContact CD2-CG1 4.2Å; F171-I236 HydrophobicContact CE2-CB 4.49Å; F171-I236 HydrophobicContact CE2-CD1 4.21Å; F171-I236 HydrophobicContact CE2-CG1 4.29Å; F171-I237 WeakPolarHBondContact O-CA 3.34Å; F171-G238 PolarHBondContact N-O 3.15Å; F171-G238 PolarHBondContact O-N 3.12Å |
| 172 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 109.4 | 170.1 | -172.3 | 163.5 | 0 | 0 | 0 | 107 | Y46 M50 K54 L57 C142 T143 L144 I236 I237 | Y46-L172 WeakPolarHBondContact OH-CD2 3.46Å; M50-L172 HydrophobicContact CE-CD1 4.08Å; M50-L172 HydrophobicContact CE-CD2 4.38Å; K54-L172 HydrophobicContact CG-CD1 4.12Å; L57-L172 HydrophobicContact CD2-CB 4.01Å; L57-L172 HydrophobicContact CD2-CD1 4.18Å; C142-L172 PolarHBondContact O-N 2.88Å; T143-L172 CarbonylContact C-O 3.45Å; T143-L172 VanDerWaalsContact CA-O 3.3Å; T143-L172 WeakPolarHBondContact CA-O 3.32Å; T143-L172 HydrophobicContact CG2-CB 3.79Å; L144-L172 HydrophobicContact CD2-CD2 4.02Å; L144-L172 HydrophobicContact CG-CD2 4.48Å; L144-L172 PolarHBondContact N-O 3.39Å; L172-I236 WeakPolarHBondContact CA-O 3.33Å; L172-I237 HydrophobicContact CB-CG1 4.43Å; L172-I237 HydrophobicContact CD1-CD1 3.73Å; L172-I237 HydrophobicContact CD1-CG1 4.25Å; L172-I237 HydrophobicContact CG-CD1 4.21Å; L172-I237 HydrophobicContact CG-CG1 4.25Å |
| 173 | E | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.6 | -173.8 | -64 | -68.2 | 124.7 | 0 | 0 | 109.6 | L144 V145 L146 C147 V175 H235 I236 | L144-E173 WeakPolarHBondContact CA-OE1 3.45Å; L144-E173 PolarHBondContact N-OE1 2.91Å; V145-E173 PolarHBondContact N-OE1 3.29Å; V145-E173 PolarHBondContact N-OE2 3.29Å; L146-E173 WeakPolarHBondContact CA-OE2 3.4Å; L146-E173 HydrophobicContact CB-CG 4.21Å; L146-E173 WeakPolarHBondContact CB-OE2 3.13Å; L146-E173 HydrophobicContact CD1-CG 4.29Å; L146-E173 HydrophobicContact CG-CG 4.39Å; L146-E173 PolarHBondContact N-OE1 2.95Å; L146-E173 PolarHBondContact N-OE2 2.92Å; C147-E173 PolarHBondContact N-OE2 3.36Å; E173-V175 HydrophobicContact CB-CG1 4.32Å; E173-H235 VanDerWaalsContact C-CD2 3.4Å; E173-H235 CarbonylContact O-C 3.5Å; E173-H235 WeakPolarHBondContact O-CA 3.14Å; E173-H235 WeakPolarHBondContact O-CB 3.02Å; E173-H235 PolarHBondContact O-CD2 3.45Å; E173-H235 VanDerWaalsContact O-CD2 3.23Å; E173-I236 HydrophobicContact CB-CD1 4.28Å; E173-I236 HydrophobicContact CB-CG1 3.87Å; E173-I236 PolarHBondContact N-O 2.94Å; E173-I236 PolarHBondContact O-N 3Å |
| 174 | H | 96.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 150.9 | 159.8 | 65.7 | 68.5 | 0 | 0 | 0 | 108.8 | C147 C201 I232 P234 H235 | C147-H174 WeakPolarHBondContact CB-CE1 3.09Å; C147-H174 PolarHBondContact SG-NE2 3.08Å; H174-C201 PolarHBondContact CE1-SG 3.26Å; H174-C201 PolarHBondContact NE2-SG 2.98Å; H174-I232 HydrophobicContact CB-CB 3.98Å; H174-I232 HydrophobicContact CB-CG2 4.17Å; H174-P234 CarbonylContact C-O 3.34Å; H174-P234 VanDerWaalsContact CA-O 3.27Å; H174-P234 WeakPolarHBondContact CA-O 3.31Å; H174-H235 PolarHBondContact N-CD2 3.12Å |
| 175 | V | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -141.6 | 167.8 | -174.2 | -56 | 0 | 0 | 0 | 0 | 112 | E173 A177 Q187 V203 R205 T207 W208 P234 I236 | E173-V175 HydrophobicContact CB-CG1 4.32Å; V175-A177 PolarHBondContact O-N 3.36Å; V175-Q187 PolarHBondContact O-NE2 2.81Å; V175-V203 CarbonylContact C-O 3.57Å; V175-R205 WeakPolarHBondContact CA-O 3.48Å; V175-T207 VanDerWaalsContact CG1-OG1 3.31Å; V175-T207 WeakPolarHBondContact CG1-OG1 3.1Å; V175-W208 HydrophobicContact CB-CE3 3.76Å; V175-W208 HydrophobicContact CB-CZ3 3.57Å; V175-W208 HydrophobicContact CG1-CE3 3.96Å; V175-W208 HydrophobicContact CG1-CZ3 4.29Å; V175-W208 HydrophobicContact CG2-CE3 3.86Å; V175-W208 HydrophobicContact CG2-CZ3 3.56Å; V175-P234 HydrophobicContact CG2-CB 4.16Å; V175-P234 PolarHBondContact N-O 3.23Å; V175-I236 HydrophobicContact CG1-CB 4.37Å; V175-I236 HydrophobicContact CG1-CD1 4.03Å; V175-I236 HydrophobicContact CG1-CG1 3.77Å; V175-I236 HydrophobicContact CG1-CG2 3.97Å; V175-I236 HydrophobicContact CG2-CG2 4.18Å | ||
| 176 | V | 97.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 135.9 | 174.9 | 68.6 | 0 | 0 | 0 | 0 | 111 | Y184 V203 V204 R205 A206 W208 | V176-Y184 HydrophobicContact CG2-CD2 3.61Å; V176-Y184 HydrophobicContact CG2-CE2 3.68Å; V176-V203 WeakPolarHBondContact CA-O 3.31Å; V176-V203 PolarHBondContact N-O 3.09Å; V176-V204 WeakPolarHBondContact CB-O 3.22Å; V176-R205 PolarHBondContact N-O 3.28Å; V176-A206 HydrophobicContact CG1-CB 3.86Å; V176-W208 HydrophobicContact CG1-CH2 3.47Å; V176-W208 VanDerWaalsContact CG1-CH2 3.47Å; V176-W208 HydrophobicContact CG1-CZ3 3.77Å |
| 177 | A | 97.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -73 | 173 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V175 S181 T183 Y184 P234 | V175-A177 PolarHBondContact O-N 3.36Å; A177-S181 WeakPolarHBondContact CB-OG 3.46Å; A177-T183 HydrophobicContact CB-CG2 3.61Å; A177-Y184 WeakPolarHBondContact O-CD2 3.36Å; A177-P234 HydrophobicContact CB-CG 3.61Å |
| 178 | D | 93.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 54% | 0.535 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 130.2 | 172 | -169.8 | -65.6 | 0 | 0 | 0 | 110.9 | S180 S181 Y184 | D178-S180 PolarHBondContact O-N 2.61Å; D178-S180 WeakPolarHBondContact OD1-CB 3.32Å; D178-S180 PolarHBondContact OD1-N 3.37Å; D178-S180 PolarHBondContact OD1-OG 2.78Å; D178-S181 VanDerWaalsContact O-CB 3.29Å; D178-S181 WeakPolarHBondContact O-CB 3.23Å; D178-S181 PolarHBondContact O-N 3.42Å; D178-S181 PolarHBondContact O-OG 3.31Å; D178-Y184 WeakPolarHBondContact O-CB 3.34Å |
| 179 | P | 94.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 57% | 0.571 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -24.2 | 178.8 | -27.6 | 35.6 | 0 | 0 | 0 | 115.7 | S181 Y184 | P179-S181 VanDerWaalsContact C-N 3.29Å; P179-Y184 HydrophobicContact CB-CD2 4.39Å; P179-Y184 HydrophobicContact CB-CE2 4.26Å; P179-Y184 HydrophobicContact CG-CD2 4.36Å; P179-Y184 HydrophobicContact CG-CE2 4.1Å |
| 180 | S | 93.3 | Very high | 96.1 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 75% | 0.748 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2 | 176.8 | 81.4 | 0 | 0 | 0 | 0 | 113.6 | D178 | D178-S180 PolarHBondContact O-N 2.61Å; D178-S180 WeakPolarHBondContact OD1-CB 3.32Å; D178-S180 PolarHBondContact OD1-N 3.37Å; D178-S180 PolarHBondContact OD1-OG 2.78Å |
| 181 | S | 94.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -95.8 | 152.4 | -176.3 | 74.8 | 0 | 0 | 0 | 0 | 113.4 | A177 D178 P179 T183 Y184 F185 | A177-S181 WeakPolarHBondContact CB-OG 3.46Å; D178-S181 VanDerWaalsContact O-CB 3.29Å; D178-S181 WeakPolarHBondContact O-CB 3.23Å; D178-S181 PolarHBondContact O-N 3.42Å; D178-S181 PolarHBondContact O-OG 3.31Å; P179-S181 VanDerWaalsContact C-N 3.29Å; S181-T183 PolarHBondContact O-N 2.8Å; S181-Y184 WeakPolarHBondContact O-CB 3.41Å; S181-Y184 PolarHBondContact O-N 3.26Å; S181-Y184 PolarHBondContact OG-N 3.05Å; S181-Y184 VanDerWaalsContact OG-N 3.14Å; S181-F185 PolarHBondContact O-N 3.23Å |
| 182 | W | 94.1 | Very high | 95.7 | Very high | 174 Ų | 174 | 41 Ų | 41 | 66% | 0.659 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.6 | -30.5 | 168.8 | -77.1 | 110.2 | 0 | 0 | 0 | 112.7 | Y184 F185 F186 | W182-Y184 VanDerWaalsContact C-N 3.3Å; W182-Y184 PolarHBondContact O-N 3.31Å; W182-F185 HydrophobicContact CE3-CB 4.3Å; W182-F185 HydrophobicContact CE3-CD1 4.14Å; W182-F185 HydrophobicContact CE3-CG 4.31Å; W182-F185 HydrophobicContact CZ3-CD1 4.23Å; W182-F185 HydrophobicContact CZ3-CG 4.4Å; W182-F185 WeakPolarHBondContact O-CB 3.48Å; W182-F185 PolarHBondContact O-N 3.03Å; W182-F186 HydrophobicContact CB-CD2 4.46Å; W182-F186 HydrophobicContact CB-CE2 4.31Å; W182-F186 HydrophobicContact CE3-CE2 4.45Å; W182-F186 WeakPolarHBondContact O-CD2 3.42Å; W182-F186 PolarHBondContact O-N 3.33Å |
| 183 | T | 95.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 175.1 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | A177 S181 F185 F186 Q187 F230 P234 | A177-T183 HydrophobicContact CB-CG2 3.61Å; S181-T183 PolarHBondContact O-N 2.8Å; T183-F185 VanDerWaalsContact C-N 3.32Å; T183-F185 PolarHBondContact O-N 2.83Å; T183-F186 PolarHBondContact O-N 3.22Å; T183-Q187 HydrophobicContact CG2-CG 4.23Å; T183-Q187 WeakPolarHBondContact O-CB 3.45Å; T183-Q187 WeakPolarHBondContact O-CG 3.18Å; T183-Q187 PolarHBondContact O-N 3.43Å; T183-F230 WeakPolarHBondContact CG2-O 3.42Å; T183-P234 HydrophobicContact CG2-CG 4.28Å |
| 184 | Y | 96 | Very high | 95.2 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 177 | 177.7 | -88.9 | 0 | 0 | 0 | 111.7 | M5 V176 A177 D178 P179 S181 W182 F186 Q187 H188 | M5-Y184 HydrophobicContact CE-CE1 4.1Å; M5-Y184 HydrophobicContact SD-CD1 4.26Å; M5-Y184 HydrophobicContact SD-CE1 4Å; V176-Y184 HydrophobicContact CG2-CD2 3.61Å; V176-Y184 HydrophobicContact CG2-CE2 3.68Å; A177-Y184 WeakPolarHBondContact O-CD2 3.36Å; D178-Y184 WeakPolarHBondContact O-CB 3.34Å; P179-Y184 HydrophobicContact CB-CD2 4.39Å; P179-Y184 HydrophobicContact CB-CE2 4.26Å; P179-Y184 HydrophobicContact CG-CD2 4.36Å; P179-Y184 HydrophobicContact CG-CE2 4.1Å; S181-Y184 WeakPolarHBondContact O-CB 3.41Å; S181-Y184 PolarHBondContact O-N 3.26Å; S181-Y184 PolarHBondContact OG-N 3.05Å; S181-Y184 VanDerWaalsContact OG-N 3.14Å; W182-Y184 VanDerWaalsContact C-N 3.3Å; W182-Y184 PolarHBondContact O-N 3.31Å; Y184-F186 PolarHBondContact O-N 3.44Å; Y184-Q187 PolarHBondContact O-N 3.06Å; Y184-H188 AromaticContact CD1-ND1 3.85Å; Y184-H188 AromaticContact CD2-CE1 3.61Å; Y184-H188 AromaticContact CE1-CE1 3.62Å; Y184-H188 AromaticContact CE1-ND1 3.73Å; Y184-H188 AromaticContact CE2-CE1 3.19Å; Y184-H188 WeakPolarHBondContact CE2-CE1 3.42Å; Y184-H188 AromaticContact CE2-ND1 3.96Å; Y184-H188 AromaticContact CE2-NE2 3.96Å; Y184-H188 AromaticContact CG-ND1 3.98Å; Y184-H188 AromaticContact CZ-CE1 3.17Å; Y184-H188 AromaticContact CZ-ND1 3.79Å; Y184-H188 AromaticContact CZ-NE2 3.66Å; Y184-H188 PolarHBondContact O-N 3.11Å; Y184-H188 PolarHBondContact O-ND1 3.3Å |
| 185 | F | 95.2 | Very high | 95 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.8 | -51.8 | 176.3 | 174.2 | -94.9 | 0 | 0 | 0 | 111.6 | F4 M5 S181 W182 T183 Q187 H188 V189 | F4-F185 AromaticContact CD1-CE2 3.72Å; F4-F185 HydrophobicContact CD1-CE2 3.72Å; F4-F185 AromaticContact CD1-CZ 3.84Å; F4-F185 HydrophobicContact CD1-CZ 3.84Å; F4-F185 HydrophobicContact CE1-CE2 4.17Å; F4-F185 AromaticContact CE1-CZ 3.82Å; F4-F185 HydrophobicContact CE1-CZ 3.82Å; M5-F185 HydrophobicContact CB-CD2 3.85Å; M5-F185 HydrophobicContact CB-CE2 3.79Å; M5-F185 HydrophobicContact CG-CD2 3.84Å; M5-F185 HydrophobicContact CG-CE2 4.06Å; M5-F185 HydrophobicContact SD-CD2 4.29Å; S181-F185 PolarHBondContact O-N 3.23Å; W182-F185 HydrophobicContact CE3-CB 4.3Å; W182-F185 HydrophobicContact CE3-CD1 4.14Å; W182-F185 HydrophobicContact CE3-CG 4.31Å; W182-F185 HydrophobicContact CZ3-CD1 4.23Å; W182-F185 HydrophobicContact CZ3-CG 4.4Å; W182-F185 WeakPolarHBondContact O-CB 3.48Å; W182-F185 PolarHBondContact O-N 3.03Å; T183-F185 VanDerWaalsContact C-N 3.32Å; T183-F185 PolarHBondContact O-N 2.83Å; F185-Q187 PolarHBondContact O-N 3.22Å; F185-H188 PolarHBondContact O-N 3.03Å; F185-V189 HydrophobicContact CD1-CG2 4.31Å; F185-V189 HydrophobicContact CD2-CG2 4.36Å; F185-V189 HydrophobicContact CE1-CG2 3.89Å; F185-V189 HydrophobicContact CE2-CG2 3.94Å; F185-V189 HydrophobicContact CZ-CG2 3.69Å; F185-V189 WeakPolarHBondContact O-CG2 3.44Å; F185-V189 PolarHBondContact O-N 2.93Å |
| 186 | F | 95.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.5 | -33.8 | -178.3 | -71.1 | -66.2 | 0 | 0 | 0 | 113.3 | W182 T183 Y184 H188 V189 L190 F230 M231 | W182-F186 HydrophobicContact CB-CD2 4.46Å; W182-F186 HydrophobicContact CB-CE2 4.31Å; W182-F186 HydrophobicContact CE3-CE2 4.45Å; W182-F186 WeakPolarHBondContact O-CD2 3.42Å; W182-F186 PolarHBondContact O-N 3.33Å; T183-F186 PolarHBondContact O-N 3.22Å; Y184-F186 PolarHBondContact O-N 3.44Å; F186-H188 VanDerWaalsContact C-N 3.29Å; F186-H188 PolarHBondContact O-N 3.34Å; F186-V189 PolarHBondContact O-N 3.11Å; F186-L190 HydrophobicContact CB-CD1 4.46Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.12Å; F186-F230 HydrophobicContact CB-CD2 4.28Å; F186-F230 HydrophobicContact CB-CE2 3.42Å; F186-F230 VanDerWaalsContact CB-CE2 3.42Å; F186-F230 HydrophobicContact CB-CZ 4.21Å; F186-F230 HydrophobicContact CD2-CD2 4.47Å; F186-F230 AromaticContact CD2-CE2 3.99Å; F186-F230 HydrophobicContact CD2-CE2 3.99Å; F186-F230 AromaticContact CG-CE2 3.84Å; F186-F230 HydrophobicContact CG-CE2 3.84Å; F186-F230 HydrophobicContact CG-CZ 4.34Å; F186-M231 VanDerWaalsContact C-SD 3.59Å; F186-M231 HydrophobicContact CB-SD 4.05Å |
| 187 | Q | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54 | -48.9 | 171.9 | -79.6 | 179.6 | -31.1 | 0 | 0 | 110.1 | V175 T183 Y184 F185 Q191 V203 V204 M231 | V175-Q187 PolarHBondContact O-NE2 2.81Å; T183-Q187 HydrophobicContact CG2-CG 4.23Å; T183-Q187 WeakPolarHBondContact O-CB 3.45Å; T183-Q187 WeakPolarHBondContact O-CG 3.18Å; T183-Q187 PolarHBondContact O-N 3.43Å; Y184-Q187 PolarHBondContact O-N 3.06Å; F185-Q187 PolarHBondContact O-N 3.22Å; Q187-Q191 WeakPolarHBondContact O-CA 3.2Å; Q187-Q191 WeakPolarHBondContact O-CB 3.35Å; Q187-Q191 PolarHBondContact O-N 3.08Å; Q187-V203 HydrophobicContact CB-CG2 3.94Å; Q187-V203 HydrophobicContact CG-CB 4.29Å; Q187-V203 HydrophobicContact CG-CG2 3.89Å; Q187-V203 PolarHBondContact NE2-O 3.39Å; Q187-V204 HydrophobicContact CB-CG1 4.04Å; Q187-M231 HydrophobicContact CG-SD 4.27Å; Q187-M231 PolarHBondContact NE2-O 2.96Å |
| 188 | H | 95.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.5 | -37.1 | -179.7 | -71.2 | 73.9 | 0 | 0 | 0 | 114 | M5 T9 Y184 F185 F186 | M5-H188 HydrophobicContact CE-CB 4.13Å; M5-H188 HydrophobicContact CG-CB 3.9Å; M5-H188 HydrophobicContact SD-CB 3.55Å; M5-H188 VanDerWaalsContact SD-CB 3.55Å; T9-H188 WeakPolarHBondContact CG2-O 3.45Å; T9-H188 PolarHBondContact OG1-O 2.89Å; Y184-H188 AromaticContact CD1-ND1 3.85Å; Y184-H188 AromaticContact CD2-CE1 3.61Å; Y184-H188 AromaticContact CE1-CE1 3.62Å; Y184-H188 AromaticContact CE1-ND1 3.73Å; Y184-H188 AromaticContact CE2-CE1 3.19Å; Y184-H188 WeakPolarHBondContact CE2-CE1 3.42Å; Y184-H188 AromaticContact CE2-ND1 3.96Å; Y184-H188 AromaticContact CE2-NE2 3.96Å; Y184-H188 AromaticContact CG-ND1 3.98Å; Y184-H188 AromaticContact CZ-CE1 3.17Å; Y184-H188 AromaticContact CZ-ND1 3.79Å; Y184-H188 AromaticContact CZ-NE2 3.66Å; Y184-H188 PolarHBondContact O-N 3.11Å; Y184-H188 PolarHBondContact O-ND1 3.3Å; F185-H188 PolarHBondContact O-N 3.03Å; F186-H188 VanDerWaalsContact C-N 3.29Å; F186-H188 PolarHBondContact O-N 3.34Å |
| 189 | V | 95.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72 | -42.9 | -178.5 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | M5 F8 F12 F185 F186 P192 | M5-V189 HydrophobicContact CG-CG2 4.08Å; F8-V189 HydrophobicContact CB-CB 4.45Å; F8-V189 HydrophobicContact CB-CG1 3.8Å; F8-V189 HydrophobicContact CB-CG2 3.78Å; F12-V189 WeakPolarHBondContact CB-O 3.47Å; F12-V189 HydrophobicContact CD2-CG1 3.47Å; F12-V189 VanDerWaalsContact CD2-CG1 3.47Å; F12-V189 HydrophobicContact CE2-CG1 3.48Å; F12-V189 VanDerWaalsContact CE2-CG1 3.48Å; F12-V189 HydrophobicContact CG-CG1 4.48Å; F12-V189 WeakPolarHBondContact CG-O 3.44Å; F185-V189 HydrophobicContact CD1-CG2 4.31Å; F185-V189 HydrophobicContact CD2-CG2 4.36Å; F185-V189 HydrophobicContact CE1-CG2 3.89Å; F185-V189 HydrophobicContact CE2-CG2 3.94Å; F185-V189 HydrophobicContact CZ-CG2 3.69Å; F185-V189 WeakPolarHBondContact O-CG2 3.44Å; F185-V189 PolarHBondContact O-N 2.93Å; F186-V189 PolarHBondContact O-N 3.11Å; V189-P192 WeakPolarHBondContact O-CD 3.3Å |
| 190 | L | 95.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 48 Ų | 48 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -92.3 | -10 | -175.6 | -59.2 | 177.4 | 0 | 0 | 0 | 113.2 | F12 F186 P192 I193 W194 F230 M231 | F12-L190 HydrophobicContact CD1-CD2 4.38Å; F12-L190 HydrophobicContact CE1-CD2 3.82Å; F12-L190 HydrophobicContact CE2-CD2 4.18Å; F12-L190 HydrophobicContact CZ-CD2 3.71Å; F186-L190 HydrophobicContact CB-CD1 4.46Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.12Å; L190-P192 VanDerWaalsContact C-N 3.34Å; L190-I193 PolarHBondContact O-N 2.94Å; L190-I193 VanDerWaalsContact O-N 3.12Å; L190-W194 PolarHBondContact O-N 2.89Å; L190-F230 HydrophobicContact CD1-CZ 4.35Å; L190-M231 HydrophobicContact CB-CE 3.6Å; L190-M231 HydrophobicContact CB-SD 4.21Å; L190-M231 HydrophobicContact CD1-CE 4.35Å; L190-M231 HydrophobicContact CD1-SD 3.96Å |
| 191 | Q | 95.3 | Very high | 93.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -47.2 | -45.8 | 177.4 | 177.3 | 57.8 | 57.5 | 0 | 0 | 113.9 | Q187 I193 W194 Y195 C201 V204 | Q187-Q191 WeakPolarHBondContact O-CA 3.2Å; Q187-Q191 WeakPolarHBondContact O-CB 3.35Å; Q187-Q191 PolarHBondContact O-N 3.08Å; Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 3.26Å; Q191-W194 PolarHBondContact O-N 3.16Å; Q191-W194 VanDerWaalsContact O-N 3.11Å; Q191-Y195 PolarHBondContact O-N 2.73Å; Q191-C201 PolarHBondContact NE2-O 3.49Å; Q191-V204 HydrophobicContact CB-CG1 4.16Å; Q191-V204 HydrophobicContact CG-CG1 4.33Å; Q191-V204 HydrophobicContact CG-CG2 4.09Å |
| 192 | P | 94.1 | Very high | 93.4 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -42.1 | -178.4 | -24.8 | 35.2 | 0 | 0 | 0 | 112.5 | T9 F12 K13 T16 V189 L190 Y196 | T9-P192 HydrophobicContact CG2-CG 4.25Å; F12-P192 HydrophobicContact CB-CB 4.46Å; F12-P192 HydrophobicContact CB-CG 4.21Å; K13-P192 HydrophobicContact CG-CB 3.97Å; K13-P192 HydrophobicContact CG-CG 3.65Å; T16-P192 HydrophobicContact CG2-CB 4.14Å; V189-P192 WeakPolarHBondContact O-CD 3.3Å; L190-P192 VanDerWaalsContact C-N 3.34Å; P192-Y196 VanDerWaalsContact O-CD2 3.27Å; P192-Y196 WeakPolarHBondContact O-CD2 3.42Å |
| 193 | I | 92.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.5 | -46.4 | 175.3 | -71.9 | -174.1 | 0 | 0 | 0 | 109.9 | F12 T16 L190 Q191 Y195 Y196 F197 | F12-I193 HydrophobicContact CD1-CD1 3.32Å; F12-I193 HydrophobicContact CD1-CG1 3.88Å; F12-I193 HydrophobicContact CE1-CD1 3.52Å; T16-I193 HydrophobicContact CG2-CB 4.38Å; T16-I193 HydrophobicContact CG2-CG1 3.62Å; L190-I193 PolarHBondContact O-N 2.94Å; L190-I193 VanDerWaalsContact O-N 3.12Å; Q191-I193 VanDerWaalsContact C-N 3.29Å; Q191-I193 PolarHBondContact O-N 3.26Å; I193-Y195 VanDerWaalsContact C-N 3.25Å; I193-Y195 PolarHBondContact O-N 3.27Å; I193-Y196 PolarHBondContact O-N 3.13Å; I193-Y196 VanDerWaalsContact O-N 3.12Å; I193-F197 HydrophobicContact CG2-CD2 3.58Å; I193-F197 HydrophobicContact CG2-CE2 3.74Å; I193-F197 WeakPolarHBondContact O-CD2 3.46Å; I193-F197 PolarHBondContact O-N 2.84Å |
| 194 | W | 93.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.25 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56 | -40.3 | -177.3 | -171.3 | -79.2 | 0 | 0 | 0 | 112.3 | L190 Q191 Y196 F197 G198 C201 V203 M231 I232 | L190-W194 PolarHBondContact O-N 2.89Å; Q191-W194 PolarHBondContact O-N 3.16Å; Q191-W194 VanDerWaalsContact O-N 3.11Å; W194-Y196 VanDerWaalsContact C-N 3.26Å; W194-Y196 PolarHBondContact O-N 2.93Å; W194-F197 PolarHBondContact O-N 3.16Å; W194-F197 VanDerWaalsContact O-N 3.16Å; W194-G198 WeakPolarHBondContact O-CA 3.35Å; W194-G198 PolarHBondContact O-N 3.23Å; W194-C201 PolarHBondContact NE1-SG 3.41Å; W194-V203 HydrophobicContact CD2-CG1 3.93Å; W194-V203 HydrophobicContact CG-CG1 4.09Å; W194-V203 HydrophobicContact CZ2-CG1 4Å; W194-M231 HydrophobicContact CE3-CB 4.32Å; W194-M231 HydrophobicContact CE3-CE 4.02Å; W194-M231 HydrophobicContact CE3-CG 4.46Å; W194-M231 HydrophobicContact CH2-CB 4.32Å; W194-M231 HydrophobicContact CZ3-CB 3.86Å; W194-M231 HydrophobicContact CZ3-CG 4.24Å; W194-I232 HydrophobicContact CH2-CD1 4.44Å; W194-I232 HydrophobicContact CH2-CG1 4.45Å; W194-I232 HydrophobicContact CH2-CG2 3.63Å; W194-I232 HydrophobicContact CZ2-CG2 3.43Å; W194-I232 VanDerWaalsContact CZ2-CG2 3.43Å |
| 195 | Y | 92.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 35.4 Ų | 35.4 | 26% | 0.259 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -50.9 | -45.5 | 177.5 | -179.1 | -91.5 | 0 | 0 | 0 | 112.2 | Q191 I193 D199 G200 E202 | Q191-Y195 PolarHBondContact O-N 2.73Å; I193-Y195 VanDerWaalsContact C-N 3.25Å; I193-Y195 PolarHBondContact O-N 3.27Å; Y195-D199 PolarHBondContact O-N 3.12Å; Y195-G200 WeakPolarHBondContact CD2-O 3.41Å; Y195-G200 PolarHBondContact O-N 3.23Å; Y195-E202 HydrophobicContact CD2-CG 4.3Å |
| 196 | Y | 89.7 | Confident | 93.6 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.2 | -28.9 | -177.9 | -69.7 | -73.9 | 0 | 0 | 0 | 114.2 | T16 L19 Q20 E23 Y28 P192 I193 W194 | T16-Y196 HydrophobicContact CG2-CD2 4.21Å; T16-Y196 HydrophobicContact CG2-CE2 4.46Å; L19-Y196 HydrophobicContact CB-CD1 3.88Å; L19-Y196 HydrophobicContact CB-CD2 3.93Å; L19-Y196 HydrophobicContact CB-CE1 4.16Å; L19-Y196 HydrophobicContact CB-CE2 4.23Å; L19-Y196 HydrophobicContact CB-CG 3.79Å; L19-Y196 HydrophobicContact CD1-CD2 3.99Å; L19-Y196 HydrophobicContact CD1-CG 3.94Å; L19-Y196 HydrophobicContact CG-CG 4.49Å; Q20-Y196 WeakPolarHBondContact CB-OH 3.5Å; Q20-Y196 HydrophobicContact CG-CE2 4.13Å; Q20-Y196 WeakPolarHBondContact CG-OH 3.19Å; Q20-Y196 PolarHBondContact NE2-OH 2.76Å; E23-Y196 HydrophobicContact CB-CE1 4.31Å; E23-Y196 VanDerWaalsContact OE2-CE1 3.22Å; E23-Y196 WeakPolarHBondContact OE2-CE1 3.42Å; E23-Y196 PolarHBondContact OE2-OH 3.49Å; Y28-Y196 HydrophobicContact CE2-CD1 4.14Å; Y28-Y196 PolarHBondContact OH-O 3.46Å; P192-Y196 VanDerWaalsContact O-CD2 3.27Å; P192-Y196 WeakPolarHBondContact O-CD2 3.42Å; I193-Y196 PolarHBondContact O-N 3.13Å; I193-Y196 VanDerWaalsContact O-N 3.12Å; W194-Y196 VanDerWaalsContact C-N 3.26Å; W194-Y196 PolarHBondContact O-N 2.93Å |
| 197 | F | 87.7 | Confident | 93.7 | Very high | 126 Ų | 126 | 31.9 Ų | 31.9 | 55% | 0.553 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -95.7 | -15.9 | 179.9 | -69.2 | -76.2 | 0 | 0 | 0 | 113.8 | L19 Y31 I193 W194 | L19-F197 HydrophobicContact CD1-CE2 4.19Å; Y31-F197 VanDerWaalsContact OH-C 3.26Å; Y31-F197 WeakPolarHBondContact OH-CA 3.19Å; Y31-F197 PolarHBondContact OH-O 3.39Å; I193-F197 HydrophobicContact CG2-CD2 3.58Å; I193-F197 HydrophobicContact CG2-CE2 3.74Å; I193-F197 WeakPolarHBondContact O-CD2 3.46Å; I193-F197 PolarHBondContact O-N 2.84Å; W194-F197 PolarHBondContact O-N 3.16Å; W194-F197 VanDerWaalsContact O-N 3.16Å |
| 198 | G | 87.6 | Confident | 93.8 | Very high | 18 Ų | 18 | 34 Ų | 34 | 19% | 0.186 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 16.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W194 G200 C201 | W194-G198 WeakPolarHBondContact O-CA 3.35Å; W194-G198 PolarHBondContact O-N 3.23Å; G198-G200 PolarHBondContact O-N 2.93Å; G198-C201 WeakPolarHBondContact O-CB 3.34Å; G198-C201 PolarHBondContact O-N 2.93Å; G198-C201 VanDerWaalsContact O-N 3.14Å |
| 199 | D | 89.4 | Confident | 93.9 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 43.2 | 175 | -154.8 | 43.4 | 0 | 0 | 0 | 115.4 | Y28 Y31 K32 F35 Y195 | Y28-D199 PolarHBondContact OH-OD1 2.83Å; Y31-D199 HydrophobicContact CE1-CB 4.47Å; K32-D199 WeakPolarHBondContact CD-OD1 3.44Å; K32-D199 WeakPolarHBondContact CE-OD1 3.11Å; K32-D199 IonicContact NZ-OD1 2.61Å; K32-D199 PolarHBondContact NZ-OD1 3.23Å; K32-D199 IonicContact NZ-OD2 2.78Å; K32-D199 PolarHBondContact NZ-OD2 3.16Å; F35-D199 HydrophobicContact CD1-CB 3.93Å; F35-D199 HydrophobicContact CD2-CB 4.12Å; F35-D199 HydrophobicContact CE1-CB 3.44Å; F35-D199 VanDerWaalsContact CE1-CB 3.44Å; F35-D199 HydrophobicContact CE2-CB 3.65Å; F35-D199 HydrophobicContact CG-CB 4.23Å; F35-D199 HydrophobicContact CZ-CB 3.27Å; Y195-D199 PolarHBondContact O-N 3.12Å |
| 200 | G | 90.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -3.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y195 G198 E202 | Y195-G200 WeakPolarHBondContact CD2-O 3.41Å; Y195-G200 PolarHBondContact O-N 3.23Å; G198-G200 PolarHBondContact O-N 2.93Å; G200-E202 PolarHBondContact O-N 3.01Å |
| 201 | C | 94 | Very high | 94.2 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | trans | -60.9 | 134.2 | -178.9 | 178.1 | 0 | 0 | 0 | 0 | 113.6 | C147 S148 H174 Q191 W194 G198 | C147-C201 VanDerWaalsContact SG-SG 3.64Å; S148-C201 WeakPolarHBondContact OG-CA 3.36Å; S148-C201 WeakPolarHBondContact OG-CB 3.33Å; H174-C201 PolarHBondContact CE1-SG 3.26Å; H174-C201 PolarHBondContact NE2-SG 2.98Å; Q191-C201 PolarHBondContact NE2-O 3.49Å; W194-C201 PolarHBondContact NE1-SG 3.41Å; G198-C201 WeakPolarHBondContact O-CB 3.34Å; G198-C201 PolarHBondContact O-N 2.93Å; G198-C201 VanDerWaalsContact O-N 3.14Å | ||
| 202 | E | 96.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 28% | 0.276 | 21% | 0.207 | S | C | . | . | trans | -117.2 | 108.7 | 171.4 | -64.9 | 174.4 | -136.6 | 0 | 0 | 112.3 | C147 Y195 G200 V204 R205 | C147-E202 PolarHBondContact O-N 2.99Å; Y195-E202 HydrophobicContact CD2-CG 4.3Å; G200-E202 PolarHBondContact O-N 3.01Å; E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.21Å; E202-R205 HydrophobicContact CB-CG 3.74Å; E202-R205 VanDerWaalsContact CD-NH2 3.32Å; E202-R205 IonicContact OE1-CZ 2.74Å; E202-R205 IonicContact OE1-NE 3.14Å; E202-R205 PolarHBondContact OE1-NE 3.37Å; E202-R205 IonicContact OE1-NH2 3.01Å; E202-R205 PolarHBondContact OE1-NH2 3.03Å; E202-R205 IonicContact OE2-CZ 3.53Å; E202-R205 IonicContact OE2-NE 3.54Å; E202-R205 PolarHBondContact OE2-NE 3.28Å; E202-R205 IonicContact OE2-NH2 3.88Å | ||
| 203 | V | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.5 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | V175 V176 Q187 W194 R205 M231 I232 | V175-V203 CarbonylContact C-O 3.57Å; V176-V203 WeakPolarHBondContact CA-O 3.31Å; V176-V203 PolarHBondContact N-O 3.09Å; Q187-V203 HydrophobicContact CB-CG2 3.94Å; Q187-V203 HydrophobicContact CG-CB 4.29Å; Q187-V203 HydrophobicContact CG-CG2 3.89Å; Q187-V203 PolarHBondContact NE2-O 3.39Å; W194-V203 HydrophobicContact CD2-CG1 3.93Å; W194-V203 HydrophobicContact CG-CG1 4.09Å; W194-V203 HydrophobicContact CZ2-CG1 4Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-M231 HydrophobicContact CG2-CE 3.81Å; V203-I232 HydrophobicContact CG1-CG2 3.79Å |
| 204 | V | 96.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 22% | 0.224 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4.7 | 178.3 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | V176 Q187 Q191 E202 | V176-V204 WeakPolarHBondContact CB-O 3.22Å; Q187-V204 HydrophobicContact CB-CG1 4.04Å; Q191-V204 HydrophobicContact CB-CG1 4.16Å; Q191-V204 HydrophobicContact CG-CG1 4.33Å; Q191-V204 HydrophobicContact CG-CG2 4.09Å; E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.21Å |
| 205 | R | 96.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | trans | -80.7 | 136.8 | -179 | -72.1 | 176.3 | 172.8 | -167.6 | 10.7 | 112.1 | L146 C147 V149 V175 V176 E202 V203 T207 | L146-R205 PolarHBondContact O-NH1 3.06Å; C147-R205 WeakPolarHBondContact O-CD 3.12Å; C147-R205 PolarHBondContact O-NH1 3.27Å; V149-R205 VanDerWaalsContact O-CZ 3.26Å; V149-R205 PolarHBondContact O-NH1 2.96Å; V149-R205 PolarHBondContact O-NH2 3.08Å; V175-R205 WeakPolarHBondContact CA-O 3.48Å; V176-R205 PolarHBondContact N-O 3.28Å; E202-R205 HydrophobicContact CB-CG 3.74Å; E202-R205 VanDerWaalsContact CD-NH2 3.32Å; E202-R205 IonicContact OE1-CZ 2.74Å; E202-R205 IonicContact OE1-NE 3.14Å; E202-R205 PolarHBondContact OE1-NE 3.37Å; E202-R205 IonicContact OE1-NH2 3.01Å; E202-R205 PolarHBondContact OE1-NH2 3.03Å; E202-R205 IonicContact OE2-CZ 3.53Å; E202-R205 IonicContact OE2-NE 3.54Å; E202-R205 PolarHBondContact OE2-NE 3.28Å; E202-R205 IonicContact OE2-NH2 3.88Å; V203-R205 VanDerWaalsContact C-N 3.28Å; R205-T207 HydrophobicContact CB-CG2 4Å; R205-T207 PolarHBondContact O-N 3.06Å | ||
| 206 | A | 97.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | trans | -96.9 | 64.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V176 W208 K209 | V176-A206 HydrophobicContact CG1-CB 3.86Å; A206-W208 VanDerWaalsContact CA-CZ3 3.5Å; A206-W208 HydrophobicContact CB-CD2 4.12Å; A206-W208 HydrophobicContact CB-CE3 3.96Å; A206-W208 HydrophobicContact CB-CH2 3.54Å; A206-W208 HydrophobicContact CB-CZ2 3.67Å; A206-W208 HydrophobicContact CB-CZ3 3.69Å; A206-W208 PolarHBondContact O-N 3.24Å; A206-W208 VanDerWaalsContact O-N 3.08Å; A206-K209 HydrophobicContact CB-CD 4.06Å; A206-K209 HydrophobicContact CB-CG 4.19Å; A206-K209 PolarHBondContact O-N 3.4Å | ||
| 207 | T | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -25.8 | -170.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | L146 I152 V175 R205 K209 H210 L211 I236 | L146-T207 HydrophobicContact CB-CG2 3.9Å; I152-T207 HydrophobicContact CD1-CG2 4.1Å; V175-T207 VanDerWaalsContact CG1-OG1 3.31Å; V175-T207 WeakPolarHBondContact CG1-OG1 3.1Å; R205-T207 HydrophobicContact CB-CG2 4Å; R205-T207 PolarHBondContact O-N 3.06Å; T207-K209 VanDerWaalsContact C-N 3.27Å; T207-K209 PolarHBondContact O-N 3.47Å; T207-H210 WeakPolarHBondContact O-CB 3.22Å; T207-H210 PolarHBondContact O-N 3.04Å; T207-H210 VanDerWaalsContact O-N 3.1Å; T207-L211 PolarHBondContact O-N 3.13Å; T207-I236 WeakPolarHBondContact OG1-CD1 3.36Å |
| 208 | W | 98.1 | Very high | 96 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -37 | 175.1 | 69.4 | 91.3 | 0 | 0 | 0 | 113.2 | V175 V176 A206 H210 L211 E212 L221 H223 I236 | V175-W208 HydrophobicContact CB-CE3 3.76Å; V175-W208 HydrophobicContact CB-CZ3 3.57Å; V175-W208 HydrophobicContact CG1-CE3 3.96Å; V175-W208 HydrophobicContact CG1-CZ3 4.29Å; V175-W208 HydrophobicContact CG2-CE3 3.86Å; V175-W208 HydrophobicContact CG2-CZ3 3.56Å; V176-W208 HydrophobicContact CG1-CH2 3.47Å; V176-W208 VanDerWaalsContact CG1-CH2 3.47Å; V176-W208 HydrophobicContact CG1-CZ3 3.77Å; A206-W208 VanDerWaalsContact CA-CZ3 3.5Å; A206-W208 HydrophobicContact CB-CD2 4.12Å; A206-W208 HydrophobicContact CB-CE3 3.96Å; A206-W208 HydrophobicContact CB-CH2 3.54Å; A206-W208 HydrophobicContact CB-CZ2 3.67Å; A206-W208 HydrophobicContact CB-CZ3 3.69Å; A206-W208 PolarHBondContact O-N 3.24Å; A206-W208 VanDerWaalsContact O-N 3.08Å; W208-H210 PolarHBondContact O-N 3.08Å; W208-L211 WeakPolarHBondContact O-CB 3.46Å; W208-L211 PolarHBondContact O-N 2.98Å; W208-L211 VanDerWaalsContact O-N 3.1Å; W208-E212 WeakPolarHBondContact O-CG 3.18Å; W208-E212 PolarHBondContact O-N 3.41Å; W208-L221 HydrophobicContact CB-CD1 3.64Å; W208-L221 HydrophobicContact CB-CD2 4.39Å; W208-H223 AromaticContact CD2-CE1 3.78Å; W208-H223 AromaticContact CE3-CE1 3.72Å; W208-H223 AromaticContact CG-NE2 3.98Å; W208-I236 HydrophobicContact CB-CD1 3.88Å; W208-I236 HydrophobicContact CB-CG2 4.19Å; W208-I236 HydrophobicContact CE3-CG2 4.43Å |
| 209 | K | 98.1 | Very high | 96.5 | Very high | 120 Ų | 120 | 48 Ų | 48 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 178.7 | -62.4 | -173.8 | 177.9 | -177.5 | 0 | 112.3 | A206 T207 T213 | A206-K209 HydrophobicContact CB-CD 4.06Å; A206-K209 HydrophobicContact CB-CG 4.19Å; A206-K209 PolarHBondContact O-N 3.4Å; T207-K209 VanDerWaalsContact C-N 3.27Å; T207-K209 PolarHBondContact O-N 3.47Å; K209-T213 PolarHBondContact O-OG1 2.77Å |
| 210 | H | 98.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.4 | -38.2 | 175.5 | -66.8 | -73 | 0 | 0 | 0 | 111.3 | I152 L156 T207 W208 T213 A214 | I152-H210 HydrophobicContact CG2-CB 3.51Å; L156-H210 HydrophobicContact CD1-CB 3.84Å; T207-H210 WeakPolarHBondContact O-CB 3.22Å; T207-H210 PolarHBondContact O-N 3.04Å; T207-H210 VanDerWaalsContact O-N 3.1Å; W208-H210 PolarHBondContact O-N 3.08Å; H210-T213 CarbonylContact O-C 3.13Å; H210-T213 PolarHBondContact O-N 3.19Å; H210-T213 PolarHBondContact O-OG1 3.18Å; H210-A214 WeakPolarHBondContact O-CB 3.48Å; H210-A214 PolarHBondContact O-N 3.19Å |
| 211 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 175 | -70.1 | 163.5 | 0 | 0 | 0 | 111.8 | L146 L156 L169 F171 T207 W208 T213 A214 L219 L221 I236 | L146-L211 HydrophobicContact CD1-CD2 4.29Å; L146-L211 HydrophobicContact CD1-CG 4.43Å; L156-L211 HydrophobicContact CD1-CD2 4.22Å; L156-L211 HydrophobicContact CD2-CD2 3.76Å; L169-L211 HydrophobicContact CD2-CD2 4.02Å; F171-L211 HydrophobicContact CD1-CD1 3.94Å; F171-L211 HydrophobicContact CD1-CD2 3.97Å; F171-L211 HydrophobicContact CD2-CD1 3.71Å; F171-L211 HydrophobicContact CE1-CD1 3.96Å; F171-L211 HydrophobicContact CE1-CD2 4.21Å; F171-L211 HydrophobicContact CE2-CD1 3.74Å; F171-L211 HydrophobicContact CG-CD1 3.83Å; F171-L211 HydrophobicContact CG-CD2 4.43Å; F171-L211 HydrophobicContact CZ-CD1 3.88Å; T207-L211 PolarHBondContact O-N 3.13Å; W208-L211 WeakPolarHBondContact O-CB 3.46Å; W208-L211 PolarHBondContact O-N 2.98Å; W208-L211 VanDerWaalsContact O-N 3.1Å; L211-T213 PolarHBondContact O-N 2.91Å; L211-A214 PolarHBondContact O-N 2.99Å; L211-L219 HydrophobicContact CB-CD1 4.29Å; L211-L219 HydrophobicContact CB-CD2 4.38Å; L211-L221 HydrophobicContact CD1-CD1 4.16Å; L211-I236 HydrophobicContact CD1-CD1 3.64Å |
| 212 | E | 98.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 58.9 Ų | 58.9 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.5 | -26.9 | 175.9 | -73.4 | 167.6 | 175.5 | 0 | 0 | 113.3 | W208 L219 | W208-E212 WeakPolarHBondContact O-CG 3.18Å; W208-E212 PolarHBondContact O-N 3.41Å; E212-L219 HydrophobicContact CB-CD2 4.4Å; E212-L219 HydrophobicContact CG-CD2 3.9Å |
| 213 | T | 97.3 | Very high | 97.6 | Very high | 114 Ų | 114 | 61.1 Ų | 61.1 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | 6.8 | -175.8 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | K209 H210 L211 G215 | K209-T213 PolarHBondContact O-OG1 2.77Å; H210-T213 CarbonylContact O-C 3.13Å; H210-T213 PolarHBondContact O-N 3.19Å; H210-T213 PolarHBondContact O-OG1 3.18Å; L211-T213 PolarHBondContact O-N 2.91Å; T213-G215 VanDerWaalsContact C-N 3.27Å; T213-G215 PolarHBondContact O-N 3.39Å |
| 214 | A | 96.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -78.7 | -3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | L156 H210 L211 F216 | L156-A214 HydrophobicContact CB-CB 4.04Å; L156-A214 HydrophobicContact CD1-CB 3.85Å; L156-A214 HydrophobicContact CG-CB 4.47Å; H210-A214 WeakPolarHBondContact O-CB 3.48Å; H210-A214 PolarHBondContact O-N 3.19Å; L211-A214 PolarHBondContact O-N 2.99Å; A214-F216 HydrophobicContact CB-CD2 3.69Å; A214-F216 HydrophobicContact CB-CE2 3.67Å |
| 215 | G | 96.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 66.5 Ų | 66.5 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | trans | 82.6 | 14.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | T213 | T213-G215 VanDerWaalsContact C-N 3.27Å; T213-G215 PolarHBondContact O-N 3.39Å | ||
| 216 | F | 98.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | trans | -68.7 | 145.9 | 169.4 | -68.1 | -74.1 | 0 | 0 | 0 | 111.2 | H160 L163 L169 A214 A240 V241 | H160-F216 HydrophobicContact CB-CE1 4.3Å; H160-F216 HydrophobicContact CB-CZ 4.25Å; H160-F216 AromaticContact CD2-CD1 3.78Å; H160-F216 AromaticContact CD2-CE1 3.73Å; L163-F216 HydrophobicContact CD1-CE1 3.91Å; L169-F216 HydrophobicContact CB-CE1 4.03Å; L169-F216 HydrophobicContact CB-CZ 3.82Å; L169-F216 HydrophobicContact CD2-CE2 3.72Å; L169-F216 HydrophobicContact CD2-CZ 3.56Å; L169-F216 HydrophobicContact CG-CZ 4.34Å; A214-F216 HydrophobicContact CB-CD2 3.69Å; A214-F216 HydrophobicContact CB-CE2 3.67Å; F216-A240 HydrophobicContact CB-CB 3.78Å; F216-A240 HydrophobicContact CD1-CB 3.93Å; F216-A240 HydrophobicContact CD2-CB 3.62Å; F216-A240 HydrophobicContact CE1-CB 4.45Å; F216-A240 HydrophobicContact CE2-CB 4.19Å; F216-A240 HydrophobicContact CG-CB 3.49Å; F216-A240 VanDerWaalsContact CG-CB 3.49Å; F216-V241 CarbonylContact C-O 3.57Å; F216-V241 WeakPolarHBondContact CA-O 3.22Å; F216-V241 VanDerWaalsContact CB-O 3.28Å; F216-V241 WeakPolarHBondContact CB-O 3.47Å; F216-V241 WeakPolarHBondContact CD1-O 3.45Å | ||
| 217 | S | 97.8 | Very high | 97.4 | Very high | 86 Ų | 86 | 66.8 Ų | 66.8 | 60% | 0.601 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -74.4 | -27.7 | -179.9 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | V241 K242 | S217-V241 PolarHBondContact N-O 3.14Å; S217-V241 PolarHBondContact OG-O 2.86Å; S217-V241 VanDerWaalsContact OG-O 3.04Å; S217-K242 WeakPolarHBondContact CB-OXT 3.27Å; S217-K242 PolarHBondContact OG-OXT 3.29Å |
| 218 | E | 98.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 68.1 Ų | 68.1 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.5 | 174 | -173.9 | -179 | 178 | 0 | 0 | 110 | K220 A240 V241 | E218-K220 WeakPolarHBondContact OE1-CE 3.49Å; E218-K220 IonicContact OE1-NZ 2.7Å; E218-A240 CarbonylContact O-C 3.5Å; E218-A240 WeakPolarHBondContact O-CA 3.49Å; E218-A240 WeakPolarHBondContact O-CB 3.35Å; E218-V241 HydrophobicContact CB-CB 4.05Å; E218-V241 HydrophobicContact CB-CG2 4.15Å; E218-V241 PolarHBondContact O-N 3.31Å |
| 219 | L | 98.6 | Very high | 96.8 | Very high | 58 Ų | 58 | 69.6 Ų | 69.6 | 30% | 0.304 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 110.2 | 173.2 | 177.3 | 62.7 | 0 | 0 | 0 | 110.1 | F171 L211 E212 L221 A240 | F171-L219 HydrophobicContact CE1-CD1 3.79Å; F171-L219 HydrophobicContact CZ-CD1 3.85Å; L211-L219 HydrophobicContact CB-CD1 4.29Å; L211-L219 HydrophobicContact CB-CD2 4.38Å; E212-L219 HydrophobicContact CB-CD2 4.4Å; E212-L219 HydrophobicContact CG-CD2 3.9Å; L219-L221 HydrophobicContact CD1-CB 4.2Å; L219-L221 HydrophobicContact CD2-CB 4.49Å; L219-L221 HydrophobicContact CG-CB 4.09Å; L219-A240 HydrophobicContact CD1-CB 3.84Å |
| 220 | K | 98.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 68.4 Ų | 68.4 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 100.6 | 168.2 | -64.2 | -161 | -167.5 | 171.7 | 0 | 108.8 | E218 G238 Y239 | E218-K220 WeakPolarHBondContact OE1-CE 3.49Å; E218-K220 IonicContact OE1-NZ 2.7Å; K220-G238 CarbonylContact O-C 3.48Å; K220-G238 WeakPolarHBondContact O-CA 3.33Å; K220-Y239 HydrophobicContact CB-CD1 4.37Å; K220-Y239 HydrophobicContact CB-CE1 4.19Å; K220-Y239 HydrophobicContact CD-CE1 3.75Å; K220-Y239 HydrophobicContact CD-CE2 4.36Å; K220-Y239 WeakPolarHBondContact CD-OH 3.33Å; K220-Y239 WeakPolarHBondContact CE-OH 3.38Å; K220-Y239 HydrophobicContact CG-CE1 4.3Å; K220-Y239 HydrophobicContact CG-CE2 4.43Å; K220-Y239 PolarHBondContact N-O 2.61Å; K220-Y239 PolarHBondContact NZ-OH 2.98Å; K220-Y239 PolarHBondContact O-N 3.47Å |
| 221 | L | 98.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.4 | -178.4 | -175.1 | 149.1 | 0 | 0 | 0 | 110.5 | F171 W208 L211 L219 I236 | F171-L221 HydrophobicContact CE2-CB 4.47Å; F171-L221 HydrophobicContact CE2-CD1 3.94Å; F171-L221 HydrophobicContact CE2-CG 4.04Å; F171-L221 HydrophobicContact CZ-CB 4.05Å; F171-L221 HydrophobicContact CZ-CD1 3.94Å; F171-L221 HydrophobicContact CZ-CG 4.07Å; W208-L221 HydrophobicContact CB-CD1 3.64Å; W208-L221 HydrophobicContact CB-CD2 4.39Å; L211-L221 HydrophobicContact CD1-CD1 4.16Å; L219-L221 HydrophobicContact CD1-CB 4.2Å; L219-L221 HydrophobicContact CD2-CB 4.49Å; L219-L221 HydrophobicContact CG-CB 4.09Å; L221-I236 HydrophobicContact CD1-CB 4.5Å; L221-I236 HydrophobicContact CD1-CD1 4.12Å; L221-I236 HydrophobicContact CD2-CB 4.46Å; L221-I236 HydrophobicContact CD2-CG2 4.15Å; L221-I236 HydrophobicContact CG-CB 4.38Å |
| 222 | R | 98 | Very high | 95.9 | Very high | 126 Ų | 126 | 66.4 Ų | 66.4 | 48% | 0.475 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.5 | 172.2 | -65.8 | 178.2 | -67.2 | 164.1 | 0.3 | 110.3 | D56 I236 I237 | D56-R222 IonicContact OD2-CZ 3.59Å; D56-R222 IonicContact OD2-NH1 2.83Å; D56-R222 PolarHBondContact OD2-NH1 2.99Å; D56-R222 IonicContact OD2-NH2 3.61Å; D56-R222 PolarHBondContact OD2-NH2 3.13Å; R222-I236 CarbonylContact O-C 3.56Å; R222-I236 VanDerWaalsContact O-CA 3.28Å; R222-I236 WeakPolarHBondContact O-CA 3.45Å; R222-I237 HydrophobicContact CB-CG2 4.21Å; R222-I237 PolarHBondContact N-O 3.28Å; R222-I237 PolarHBondContact O-N 2.77Å |
| 223 | H | 97.9 | Very high | 95.7 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135.9 | 165.3 | -76.3 | -106.2 | 0 | 0 | 0 | 109.6 | W208 H235 | W208-H223 AromaticContact CD2-CE1 3.78Å; W208-H223 AromaticContact CE3-CE1 3.72Å; W208-H223 AromaticContact CG-NE2 3.98Å; H223-H235 CarbonylContact C-O 3.59Å; H223-H235 WeakPolarHBondContact CA-O 3.45Å |
| 224 | I | 97.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156 | 176.7 | 68.5 | 172.4 | 0 | 0 | 0 | 110.5 | M50 K53 H235 I237 | M50-I224 HydrophobicContact CE-CD1 4.11Å; K53-I224 HydrophobicContact CG-CD1 4.09Å; I224-H235 HydrophobicContact CD1-CB 4.21Å; I224-H235 HydrophobicContact CG1-CB 3.58Å; I224-H235 PolarHBondContact N-O 2.88Å; I224-H235 PolarHBondContact O-N 3.3Å; I224-I237 HydrophobicContact CD1-CB 4.2Å; I224-I237 HydrophobicContact CD1-CD1 4.26Å; I224-I237 HydrophobicContact CD1-CG2 4Å; I224-I237 HydrophobicContact CG1-CG2 4.33Å; I224-I237 HydrophobicContact CG2-CG2 3.75Å |
| 225 | E | 96.3 | Very high | 95.8 | Very high | 112 Ų | 112 | 58.5 Ų | 58.5 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 104.8 | 168.7 | -71.1 | -74.2 | 128.2 | 0 | 0 | 108.5 | K233 | E225-K233 WeakPolarHBondContact OE2-CD 3.46Å; E225-K233 WeakPolarHBondContact OE2-CE 3.38Å; E225-K233 WeakPolarHBondContact OE2-CG 3.39Å; E225-K233 IonicContact OE2-NZ 3.47Å; E225-K233 PolarHBondContact OE2-NZ 2.93Å |
| 226 | A | 94.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | trans | -70.5 | 143.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M50 L228 K233 H235 | M50-A226 HydrophobicContact CE-CB 4.07Å; M50-A226 HydrophobicContact SD-CB 3.71Å; A226-L228 HydrophobicContact CB-CB 4.43Å; A226-L228 HydrophobicContact CB-CD1 3.97Å; A226-L228 HydrophobicContact CB-CG 3.97Å; A226-L228 PolarHBondContact O-N 3.12Å; A226-K233 PolarHBondContact N-O 2.91Å; A226-K233 VanDerWaalsContact O-CG 3.22Å; A226-K233 WeakPolarHBondContact O-CG 3.38Å; A226-H235 VanDerWaalsContact CB-CE1 3.43Å; A226-H235 WeakPolarHBondContact CB-CE1 3.32Å; A226-H235 WeakPolarHBondContact CB-ND1 3.41Å | ||
| 227 | P | 93.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 41% | 0.409 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -75.1 | 47.7 | 176.1 | 31.9 | -36.1 | 0 | 0 | 0 | 112.7 | K49 M50 | K49-P227 HydrophobicContact CB-CG 4.22Å; K49-P227 WeakPolarHBondContact CD-O 3.27Å; K49-P227 VanDerWaalsContact O-CG 3.28Å; K49-P227 WeakPolarHBondContact O-CG 3.18Å; M50-P227 HydrophobicContact SD-CG 4.44Å |
| 228 | L | 92.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -113.1 | -175.5 | -176.9 | -59.7 | 177.8 | 0 | 0 | 0 | 110.9 | Y46 K49 A226 I232 | Y46-L228 HydrophobicContact CD2-CD1 3.79Å; Y46-L228 HydrophobicContact CD2-CD2 4.11Å; Y46-L228 HydrophobicContact CE2-CD1 3.34Å; Y46-L228 HydrophobicContact CE2-CD2 4.44Å; K49-L228 HydrophobicContact CB-CD2 4.22Å; K49-L228 HydrophobicContact CD-CD2 3.77Å; A226-L228 HydrophobicContact CB-CB 4.43Å; A226-L228 HydrophobicContact CB-CD1 3.97Å; A226-L228 HydrophobicContact CB-CG 3.97Å; A226-L228 PolarHBondContact O-N 3.12Å; L228-I232 HydrophobicContact CB-CD1 4.19Å; L228-I232 HydrophobicContact CB-CG1 4.05Å; L228-I232 HydrophobicContact CD1-CD1 3.89Å; L228-I232 HydrophobicContact CD1-CG1 4.31Å |
| 229 | N | 90.9 | Very high | 96 | Very high | 77 Ų | 77 | 47.8 Ų | 47.8 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | trans | -64.4 | 156.3 | 175.6 | 72.9 | 76.4 | 0 | 0 | 0 | 110.4 | M231 I232 K233 | N229-M231 PolarHBondContact O-N 2.79Å; N229-M231 VanDerWaalsContact O-N 3.13Å; N229-M231 WeakPolarHBondContact OD1-CB 3.43Å; N229-M231 PolarHBondContact OD1-N 3.23Å; N229-M231 VanDerWaalsContact OD1-N 3.15Å; N229-I232 WeakPolarHBondContact ND2-CD1 3.47Å; N229-I232 VanDerWaalsContact ND2-CG1 3.31Å; N229-I232 WeakPolarHBondContact ND2-CG1 3.03Å; N229-I232 CarbonylContact O-C 3.6Å; N229-I232 PolarHBondContact O-N 2.95Å; N229-K233 PolarHBondContact O-N 3.06Å; N229-K233 VanDerWaalsContact O-N 3.13Å | ||
| 230 | F | 90.6 | Very high | 96 | Very high | 95 Ų | 95 | 45 Ų | 45 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -57.7 | -33.8 | -170 | 72.3 | -91.1 | 0 | 0 | 0 | 113.4 | T183 F186 L190 I232 K233 | T183-F230 WeakPolarHBondContact CG2-O 3.42Å; F186-F230 HydrophobicContact CB-CD2 4.28Å; F186-F230 HydrophobicContact CB-CE2 3.42Å; F186-F230 VanDerWaalsContact CB-CE2 3.42Å; F186-F230 HydrophobicContact CB-CZ 4.21Å; F186-F230 HydrophobicContact CD2-CD2 4.47Å; F186-F230 AromaticContact CD2-CE2 3.99Å; F186-F230 HydrophobicContact CD2-CE2 3.99Å; F186-F230 AromaticContact CG-CE2 3.84Å; F186-F230 HydrophobicContact CG-CE2 3.84Å; F186-F230 HydrophobicContact CG-CZ 4.34Å; L190-F230 HydrophobicContact CD1-CZ 4.35Å; F230-I232 VanDerWaalsContact C-N 3.3Å; F230-I232 PolarHBondContact O-N 2.94Å; F230-K233 WeakPolarHBondContact O-CB 3.33Å; F230-K233 PolarHBondContact O-N 3.34Å |
| 231 | M | 92.1 | Very high | 96 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.034 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -62.9 | -34.9 | -177.9 | -71.2 | -72.9 | -73.8 | 0 | 0 | 113.5 | F186 Q187 L190 W194 V203 N229 | F186-M231 VanDerWaalsContact C-SD 3.59Å; F186-M231 HydrophobicContact CB-SD 4.05Å; Q187-M231 HydrophobicContact CG-SD 4.27Å; Q187-M231 PolarHBondContact NE2-O 2.96Å; L190-M231 HydrophobicContact CB-CE 3.6Å; L190-M231 HydrophobicContact CB-SD 4.21Å; L190-M231 HydrophobicContact CD1-CE 4.35Å; L190-M231 HydrophobicContact CD1-SD 3.96Å; W194-M231 HydrophobicContact CE3-CB 4.32Å; W194-M231 HydrophobicContact CE3-CE 4.02Å; W194-M231 HydrophobicContact CE3-CG 4.46Å; W194-M231 HydrophobicContact CH2-CB 4.32Å; W194-M231 HydrophobicContact CZ3-CB 3.86Å; W194-M231 HydrophobicContact CZ3-CG 4.24Å; V203-M231 HydrophobicContact CG2-CE 3.81Å; N229-M231 PolarHBondContact O-N 2.79Å; N229-M231 VanDerWaalsContact O-N 3.13Å; N229-M231 WeakPolarHBondContact OD1-CB 3.43Å; N229-M231 PolarHBondContact OD1-N 3.23Å; N229-M231 VanDerWaalsContact OD1-N 3.15Å |
| 232 | I | 92.8 | Very high | 96 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 11% | 0.113 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -117.5 | 31.3 | -179.6 | 56.6 | 169.1 | 0 | 0 | 0 | 110.1 | H174 W194 V203 L228 N229 F230 H235 | H174-I232 HydrophobicContact CB-CB 3.98Å; H174-I232 HydrophobicContact CB-CG2 4.17Å; W194-I232 HydrophobicContact CH2-CD1 4.44Å; W194-I232 HydrophobicContact CH2-CG1 4.45Å; W194-I232 HydrophobicContact CH2-CG2 3.63Å; W194-I232 HydrophobicContact CZ2-CG2 3.43Å; W194-I232 VanDerWaalsContact CZ2-CG2 3.43Å; V203-I232 HydrophobicContact CG1-CG2 3.79Å; L228-I232 HydrophobicContact CB-CD1 4.19Å; L228-I232 HydrophobicContact CB-CG1 4.05Å; L228-I232 HydrophobicContact CD1-CD1 3.89Å; L228-I232 HydrophobicContact CD1-CG1 4.31Å; N229-I232 WeakPolarHBondContact ND2-CD1 3.47Å; N229-I232 VanDerWaalsContact ND2-CG1 3.31Å; N229-I232 WeakPolarHBondContact ND2-CG1 3.03Å; N229-I232 CarbonylContact O-C 3.6Å; N229-I232 PolarHBondContact O-N 2.95Å; F230-I232 VanDerWaalsContact C-N 3.3Å; F230-I232 PolarHBondContact O-N 2.94Å; I232-H235 PolarHBondContact O-CE1 3.32Å; I232-H235 PolarHBondContact O-ND1 3.37Å; I232-H235 VanDerWaalsContact O-ND1 3.14Å |
| 233 | K | 94.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 36% | 0.357 | 18% | 0.184 | S | C | . | . | trans | -75.5 | -49.7 | 177.5 | -160.6 | -172.2 | 172.7 | -144.6 | 0 | 111.8 | E225 A226 N229 F230 H235 | E225-K233 WeakPolarHBondContact OE2-CD 3.46Å; E225-K233 WeakPolarHBondContact OE2-CE 3.38Å; E225-K233 WeakPolarHBondContact OE2-CG 3.39Å; E225-K233 IonicContact OE2-NZ 3.47Å; E225-K233 PolarHBondContact OE2-NZ 2.93Å; A226-K233 PolarHBondContact N-O 2.91Å; A226-K233 VanDerWaalsContact O-CG 3.22Å; A226-K233 WeakPolarHBondContact O-CG 3.38Å; N229-K233 PolarHBondContact O-N 3.06Å; N229-K233 VanDerWaalsContact O-N 3.13Å; F230-K233 WeakPolarHBondContact O-CB 3.33Å; F230-K233 PolarHBondContact O-N 3.34Å; K233-H235 PolarHBondContact O-N 3.3Å; K233-H235 PolarHBondContact O-ND1 3.34Å; K233-H235 VanDerWaalsContact O-ND1 3.08Å | ||
| 234 | P | 97.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.4 | 179.4 | -7.7 | 23.2 | 0 | 0 | 0 | 109.9 | H174 V175 A177 T183 | H174-P234 CarbonylContact C-O 3.34Å; H174-P234 VanDerWaalsContact CA-O 3.27Å; H174-P234 WeakPolarHBondContact CA-O 3.31Å; V175-P234 HydrophobicContact CG2-CB 4.16Å; V175-P234 PolarHBondContact N-O 3.23Å; A177-P234 HydrophobicContact CB-CG 3.61Å; T183-P234 HydrophobicContact CG2-CG 4.28Å |
| 235 | H | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.6 | -179.1 | -84.3 | 76.2 | 0 | 0 | 0 | 111.5 | E173 H174 H223 I224 A226 I232 K233 | E173-H235 VanDerWaalsContact C-CD2 3.4Å; E173-H235 CarbonylContact O-C 3.5Å; E173-H235 WeakPolarHBondContact O-CA 3.14Å; E173-H235 WeakPolarHBondContact O-CB 3.02Å; E173-H235 PolarHBondContact O-CD2 3.45Å; E173-H235 VanDerWaalsContact O-CD2 3.23Å; H174-H235 PolarHBondContact N-CD2 3.12Å; H223-H235 CarbonylContact C-O 3.59Å; H223-H235 WeakPolarHBondContact CA-O 3.45Å; I224-H235 HydrophobicContact CD1-CB 4.21Å; I224-H235 HydrophobicContact CG1-CB 3.58Å; I224-H235 PolarHBondContact N-O 2.88Å; I224-H235 PolarHBondContact O-N 3.3Å; A226-H235 VanDerWaalsContact CB-CE1 3.43Å; A226-H235 WeakPolarHBondContact CB-CE1 3.32Å; A226-H235 WeakPolarHBondContact CB-ND1 3.41Å; I232-H235 PolarHBondContact O-CE1 3.32Å; I232-H235 PolarHBondContact O-ND1 3.37Å; I232-H235 VanDerWaalsContact O-ND1 3.14Å; K233-H235 PolarHBondContact O-N 3.3Å; K233-H235 PolarHBondContact O-ND1 3.34Å; K233-H235 VanDerWaalsContact O-ND1 3.08Å |
| 236 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 147.7 | 160 | 62.4 | 176.5 | 0 | 0 | 0 | 109.8 | F171 L172 E173 V175 T207 W208 L211 L221 R222 | F171-I236 HydrophobicContact CD2-CD1 4.2Å; F171-I236 HydrophobicContact CD2-CG1 4.2Å; F171-I236 HydrophobicContact CE2-CB 4.49Å; F171-I236 HydrophobicContact CE2-CD1 4.21Å; F171-I236 HydrophobicContact CE2-CG1 4.29Å; L172-I236 WeakPolarHBondContact CA-O 3.33Å; E173-I236 HydrophobicContact CB-CD1 4.28Å; E173-I236 HydrophobicContact CB-CG1 3.87Å; E173-I236 PolarHBondContact N-O 2.94Å; E173-I236 PolarHBondContact O-N 3Å; V175-I236 HydrophobicContact CG1-CB 4.37Å; V175-I236 HydrophobicContact CG1-CD1 4.03Å; V175-I236 HydrophobicContact CG1-CG1 3.77Å; V175-I236 HydrophobicContact CG1-CG2 3.97Å; V175-I236 HydrophobicContact CG2-CG2 4.18Å; T207-I236 WeakPolarHBondContact OG1-CD1 3.36Å; W208-I236 HydrophobicContact CB-CD1 3.88Å; W208-I236 HydrophobicContact CB-CG2 4.19Å; W208-I236 HydrophobicContact CE3-CG2 4.43Å; L211-I236 HydrophobicContact CD1-CD1 3.64Å; L221-I236 HydrophobicContact CD1-CB 4.5Å; L221-I236 HydrophobicContact CD1-CD1 4.12Å; L221-I236 HydrophobicContact CD2-CB 4.46Å; L221-I236 HydrophobicContact CD2-CG2 4.15Å; L221-I236 HydrophobicContact CG-CB 4.38Å; R222-I236 CarbonylContact O-C 3.56Å; R222-I236 VanDerWaalsContact O-CA 3.28Å; R222-I236 WeakPolarHBondContact O-CA 3.45Å |
| 237 | I | 98.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 141.4 | 179.3 | -166.3 | 166 | 0 | 0 | 0 | 109.5 | K53 L57 F171 L172 R222 I224 | K53-I237 HydrophobicContact CB-CD1 4.09Å; K53-I237 WeakPolarHBondContact O-CD1 3.48Å; L57-I237 HydrophobicContact CB-CD1 3.82Å; L57-I237 HydrophobicContact CB-CG1 4.03Å; L57-I237 HydrophobicContact CD1-CG1 3.8Å; L57-I237 HydrophobicContact CD2-CD1 4.13Å; L57-I237 HydrophobicContact CD2-CG1 3.9Å; L57-I237 HydrophobicContact CG-CD1 4.38Å; L57-I237 HydrophobicContact CG-CG1 4.12Å; F171-I237 WeakPolarHBondContact O-CA 3.34Å; L172-I237 HydrophobicContact CB-CG1 4.43Å; L172-I237 HydrophobicContact CD1-CD1 3.73Å; L172-I237 HydrophobicContact CD1-CG1 4.25Å; L172-I237 HydrophobicContact CG-CD1 4.21Å; L172-I237 HydrophobicContact CG-CG1 4.25Å; R222-I237 HydrophobicContact CB-CG2 4.21Å; R222-I237 PolarHBondContact N-O 3.28Å; R222-I237 PolarHBondContact O-N 2.77Å; I224-I237 HydrophobicContact CD1-CB 4.2Å; I224-I237 HydrophobicContact CD1-CD1 4.26Å; I224-I237 HydrophobicContact CD1-CG2 4Å; I224-I237 HydrophobicContact CG1-CG2 4.33Å; I224-I237 HydrophobicContact CG2-CG2 3.75Å |
| 238 | G | 98.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | -159.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L57 F171 K220 | L57-G238 WeakPolarHBondContact CD1-O 3.45Å; F171-G238 PolarHBondContact N-O 3.15Å; F171-G238 PolarHBondContact O-N 3.12Å; K220-G238 CarbonylContact O-C 3.48Å; K220-G238 WeakPolarHBondContact O-CA 3.33Å |
| 239 | Y | 98.8 | Very high | 96.1 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 161 | 178.2 | 70.1 | -92.7 | 0 | 0 | 0 | 112.1 | F64 A168 L169 Y170 K220 V241 | F64-Y239 HydrophobicContact CE2-CE2 4.42Å; F64-Y239 HydrophobicContact CZ-CD2 4.11Å; F64-Y239 AromaticContact CZ-CE2 3.81Å; F64-Y239 HydrophobicContact CZ-CE2 3.81Å; A168-Y239 HydrophobicContact CB-CD2 4.33Å; L169-Y239 CarbonylContact O-C 3.52Å; L169-Y239 WeakPolarHBondContact O-CA 3.27Å; L169-Y239 WeakPolarHBondContact O-CB 3.22Å; Y170-Y239 HydrophobicContact CE1-CD1 4.07Å; Y170-Y239 HydrophobicContact CE1-CG 4.2Å; Y170-Y239 HydrophobicContact CE2-CG 4.46Å; K220-Y239 HydrophobicContact CB-CD1 4.37Å; K220-Y239 HydrophobicContact CB-CE1 4.19Å; K220-Y239 HydrophobicContact CD-CE1 3.75Å; K220-Y239 HydrophobicContact CD-CE2 4.36Å; K220-Y239 WeakPolarHBondContact CD-OH 3.33Å; K220-Y239 WeakPolarHBondContact CE-OH 3.38Å; K220-Y239 HydrophobicContact CG-CE1 4.3Å; K220-Y239 HydrophobicContact CG-CE2 4.43Å; K220-Y239 PolarHBondContact N-O 2.61Å; K220-Y239 PolarHBondContact NZ-OH 2.98Å; K220-Y239 PolarHBondContact O-N 3.47Å; Y239-V241 HydrophobicContact CD2-CG2 4.03Å; Y239-V241 HydrophobicContact CE2-CG2 3.81Å |
| 240 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 141.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A168 L169 F216 E218 L219 | A168-A240 CarbonylContact C-O 3.59Å; A168-A240 WeakPolarHBondContact CA-O 3.45Å; L169-A240 PolarHBondContact N-O 3.36Å; L169-A240 PolarHBondContact O-N 3.41Å; F216-A240 HydrophobicContact CB-CB 3.78Å; F216-A240 HydrophobicContact CD1-CB 3.93Å; F216-A240 HydrophobicContact CD2-CB 3.62Å; F216-A240 HydrophobicContact CE1-CB 4.45Å; F216-A240 HydrophobicContact CE2-CB 4.19Å; F216-A240 HydrophobicContact CG-CB 3.49Å; F216-A240 VanDerWaalsContact CG-CB 3.49Å; E218-A240 CarbonylContact O-C 3.5Å; E218-A240 WeakPolarHBondContact O-CA 3.49Å; E218-A240 WeakPolarHBondContact O-CB 3.35Å; L219-A240 HydrophobicContact CD1-CB 3.84Å |
| 241 | V | 98.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 11% | 0.109 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.6 | -176.2 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | F64 G167 A168 F216 S217 E218 Y239 | F64-V241 HydrophobicContact CE1-CG2 4.03Å; F64-V241 HydrophobicContact CZ-CG2 4.18Å; G167-V241 WeakPolarHBondContact O-CA 3.2Å; A168-V241 HydrophobicContact CB-CG2 4.47Å; F216-V241 CarbonylContact C-O 3.57Å; F216-V241 WeakPolarHBondContact CA-O 3.22Å; F216-V241 VanDerWaalsContact CB-O 3.28Å; F216-V241 WeakPolarHBondContact CB-O 3.47Å; F216-V241 WeakPolarHBondContact CD1-O 3.45Å; S217-V241 PolarHBondContact N-O 3.14Å; S217-V241 PolarHBondContact OG-O 2.86Å; S217-V241 VanDerWaalsContact OG-O 3.04Å; E218-V241 HydrophobicContact CB-CB 4.05Å; E218-V241 HydrophobicContact CB-CG2 4.15Å; E218-V241 PolarHBondContact O-N 3.31Å; Y239-V241 HydrophobicContact CD2-CG2 4.03Å; Y239-V241 HydrophobicContact CE2-CG2 3.81Å |
| 242 | K | 97.9 | Very high | 97.4 | Very high | 54 Ų | 54 | 19.9 Ų | 19.9 | 24% | 0.235 | 10% | 0.095 | C | C | . | . | trans | -77.3 | 0 | 170.5 | 178.4 | 176.6 | -176.6 | 177.6 | 0 | 110.1 | D135 H160 L163 G166 G167 S217 | D135-K242 IonicContact OD1-NZ 3.28Å; D135-K242 PolarHBondContact OD1-NZ 3.33Å; H160-K242 VanDerWaalsContact O-CD 3.23Å; H160-K242 WeakPolarHBondContact O-CD 3.24Å; H160-K242 VanDerWaalsContact O-CE 3.23Å; H160-K242 WeakPolarHBondContact O-CE 3.36Å; H160-K242 PolarHBondContact O-NZ 3.23Å; L163-K242 HydrophobicContact CB-CB 4.27Å; L163-K242 HydrophobicContact CB-CD 3.87Å; L163-K242 WeakPolarHBondContact O-CD 3.32Å; L163-K242 WeakPolarHBondContact O-CE 3.43Å; L163-K242 PolarHBondContact O-NZ 3.08Å; G166-K242 WeakPolarHBondContact CA-O 3.3Å; G166-K242 PolarHBondContact N-O 3.36Å; G167-K242 PolarHBondContact O-N 2.91Å; S217-K242 WeakPolarHBondContact CB-OXT 3.27Å; S217-K242 PolarHBondContact OG-OXT 3.29Å |
Retrieved 242 of 242 residues in 1475.9 ms
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