| 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 | 46.3 | Very low | 83.3 | Confident | 238 Ų | 238 | 95.1 Ų | 95.1 | 100% | 1.172 | 52% | 0.519 | S | S | * | . | 0 | 121.8 | 0 | -76.4 | -177.9 | -95.6 | 0 | 0 | 106.3 | T3 | M1-T3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 64.1 | Low | 84.3 | Confident | 97 Ų | 97 | 92 Ų | 92 | 80% | 0.802 | 50% | 0.501 | S | S | * | . | trans | -69.3 | 126.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | T4 | A2-T4 PolarHBondContact O-N 3.25Š| ||
| 3 | T | 71.5 | Confident | 85 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | trans | -66.9 | 117.2 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 108 | M1 Y5 | M1-T3 PolarHBondContact O-N 3.44Å; T3-Y5 HydrophobicContact CG2-CD1 4.38Å; T3-Y5 HydrophobicContact CG2-CD2 4.38Å; T3-Y5 HydrophobicContact CG2-CE1 3.84Å; T3-Y5 HydrophobicContact CG2-CE2 3.85Å | ||
| 4 | T | 77.9 | Confident | 85.4 | Confident | 106 Ų | 106 | 82.9 Ų | 82.9 | 65% | 0.65 | 46% | 0.455 | S | S | * | . | trans | -86.8 | 111.9 | 176.1 | -29.5 | 0 | 0 | 0 | 0 | 108.6 | A2 N33 | A2-T4 PolarHBondContact O-N 3.25Å; T4-N33 WeakPolarHBondContact CG2-ND2 3.3Å | ||
| 5 | Y | 86.5 | Confident | 85.6 | Confident | 146 Ų | 146 | 80.1 Ų | 80.1 | 57% | 0.573 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 147.1 | 173 | -62.6 | -79.3 | 0 | 0 | 0 | 110.4 | T3 I92 | T3-Y5 HydrophobicContact CG2-CD1 4.38Å; T3-Y5 HydrophobicContact CG2-CD2 4.38Å; T3-Y5 HydrophobicContact CG2-CE1 3.84Å; T3-Y5 HydrophobicContact CG2-CE2 3.85Å; Y5-I92 HydrophobicContact CD2-CD1 4.04Å; Y5-I92 HydrophobicContact CD2-CG1 4.45Å; Y5-I92 HydrophobicContact CE2-CD1 4.23Å; Y5-I92 HydrophobicContact CE2-CG1 4.47Å; Y5-I92 HydrophobicContact CG-CD1 4.42Å |
| 6 | I | 92.7 | Very high | 85.4 | Confident | 96 Ų | 96 | 79.6 Ų | 79.6 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -88 | 122.1 | 168 | -61 | 175.1 | 0 | 0 | 0 | 107 | V8 N33 E35 | I6-V8 HydrophobicContact CG2-CG2 4.32Å; I6-N33 WeakPolarHBondContact CA-O 3.29Å; I6-E35 HydrophobicContact CG2-CB 4.43Å; I6-E35 HydrophobicContact CG2-CG 3.92Å |
| 7 | T | 93.2 | Very high | 85.3 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.6 | 173 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | I9 N33 M34 E35 | T7-I9 HydrophobicContact CG2-CG1 4.31Å; T7-N33 PolarHBondContact N-O 3.34Å; T7-M34 VanDerWaalsContact O-CA 3.27Å; T7-M34 WeakPolarHBondContact O-CA 3.44Å; T7-M34 WeakPolarHBondContact O-CG 3.5Å; T7-E35 PolarHBondContact O-N 3.43Å |
| 8 | V | 96.1 | Very high | 85.3 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.4 | 178.7 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | I6 H10 E35 Y37 | I6-V8 HydrophobicContact CG2-CG2 4.32Å; V8-H10 WeakPolarHBondContact CG1-NE2 3.24Å; V8-E35 CarbonylContact C-O 3.5Å; V8-E35 WeakPolarHBondContact CA-O 3.35Å; V8-E35 HydrophobicContact CG1-CB 4.33Å; V8-E35 HydrophobicContact CG2-CB 4.33Å; V8-Y37 HydrophobicContact CG1-CD2 3.71Å; V8-Y37 HydrophobicContact CG1-CE2 3.6Å |
| 9 | I | 95.3 | Very high | 85.4 | Confident | 53 Ų | 53 | 77.6 Ų | 77.6 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.6 | -179.1 | -55.3 | -176.5 | 0 | 0 | 0 | 110.7 | T7 F11 M34 E35 Y36 Y37 | T7-I9 HydrophobicContact CG2-CG1 4.31Å; I9-F11 HydrophobicContact CB-CE2 4.07Å; I9-F11 HydrophobicContact CB-CZ 4.37Å; I9-F11 HydrophobicContact CG2-CD1 4.29Å; I9-F11 HydrophobicContact CG2-CD2 3.94Å; I9-F11 HydrophobicContact CG2-CE1 3.88Å; I9-F11 HydrophobicContact CG2-CE2 3.49Å; I9-F11 VanDerWaalsContact CG2-CE2 3.49Å; I9-F11 HydrophobicContact CG2-CG 4.33Å; I9-F11 HydrophobicContact CG2-CZ 3.47Å; I9-F11 VanDerWaalsContact CG2-CZ 3.47Å; I9-M34 HydrophobicContact CD1-CE 3.85Å; I9-M34 HydrophobicContact CD1-CG 4.3Å; I9-M34 HydrophobicContact CD1-SD 3.46Å; I9-M34 WeakPolarHBondContact CD1-SD 3.37Å; I9-M34 HydrophobicContact CG1-CG 4.43Å; I9-M34 HydrophobicContact CG1-SD 4.2Å; I9-E35 PolarHBondContact N-O 2.97Å; I9-Y36 CarbonylContact O-C 3.52Å; I9-Y36 WeakPolarHBondContact O-CA 3.49Å; I9-Y37 PolarHBondContact O-N 3.49Å |
| 10 | H | 96.9 | Very high | 85.7 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 22% | 0.218 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 105.9 | 176.5 | -62.6 | -84.8 | 0 | 0 | 0 | 110.2 | V8 Y37 Y39 L71 I75 | V8-H10 WeakPolarHBondContact CG1-NE2 3.24Å; H10-Y37 AromaticContact CE1-CD2 3.76Å; H10-Y39 HydrophobicContact CB-CD2 4.34Å; H10-Y39 HydrophobicContact CB-CE2 3.73Å; H10-Y39 PolarHBondContact CE1-OH 2.94Å; H10-Y39 AromaticContact CG-CE2 3.91Å; H10-Y39 AromaticContact ND1-CE2 3.32Å; H10-Y39 VanDerWaalsContact ND1-CE2 3.32Å; H10-Y39 WeakPolarHBondContact ND1-CE2 3.42Å; H10-Y39 AromaticContact ND1-CZ 3.53Å; H10-Y39 PolarHBondContact ND1-OH 3.44Å; H10-L71 HydrophobicContact CB-CD2 4.03Å; H10-I75 WeakPolarHBondContact CE1-CD1 3.43Å |
| 11 | F | 95.4 | Very high | 85.9 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 18% | 0.184 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 116.3 | 178.2 | -67.3 | -76.8 | 0 | 0 | 0 | 111.2 | I9 V13 L22 M26 Y36 Y37 F38 Y39 | I9-F11 HydrophobicContact CB-CE2 4.07Å; I9-F11 HydrophobicContact CB-CZ 4.37Å; I9-F11 HydrophobicContact CG2-CD1 4.29Å; I9-F11 HydrophobicContact CG2-CD2 3.94Å; I9-F11 HydrophobicContact CG2-CE1 3.88Å; I9-F11 HydrophobicContact CG2-CE2 3.49Å; I9-F11 VanDerWaalsContact CG2-CE2 3.49Å; I9-F11 HydrophobicContact CG2-CG 4.33Å; I9-F11 HydrophobicContact CG2-CZ 3.47Å; I9-F11 VanDerWaalsContact CG2-CZ 3.47Å; F11-V13 HydrophobicContact CB-CG1 4.28Å; F11-L22 HydrophobicContact CD1-CD2 3.92Å; F11-L22 HydrophobicContact CE1-CD2 4.11Å; F11-L22 HydrophobicContact CG-CD2 4.44Å; F11-M26 HydrophobicContact CE2-CE 4Å; F11-M26 HydrophobicContact CE2-CG 4Å; F11-M26 HydrophobicContact CE2-SD 4.2Å; F11-M26 HydrophobicContact CZ-CE 4.06Å; F11-M26 HydrophobicContact CZ-CG 4.18Å; F11-M26 HydrophobicContact CZ-SD 3.93Å; F11-Y36 HydrophobicContact CE2-CG 4.49Å; F11-Y37 PolarHBondContact N-O 3.25Å; F11-F38 HydrophobicContact CB-CD1 3.6Å; F11-F38 HydrophobicContact CB-CE1 3.73Å; F11-F38 HydrophobicContact CB-CG 4.29Å; F11-F38 HydrophobicContact CD2-CD1 4.28Å; F11-F38 AromaticContact CD2-CE1 3.8Å; F11-F38 HydrophobicContact CD2-CE1 3.8Å; F11-F38 HydrophobicContact CD2-CE2 4.2Å; F11-F38 AromaticContact CD2-CZ 3.74Å; F11-F38 HydrophobicContact CD2-CZ 3.74Å; F11-F38 HydrophobicContact CE2-CZ 4.2Å; F11-F38 HydrophobicContact CG-CD1 4.18Å; F11-F38 AromaticContact CG-CE1 3.81Å; F11-F38 HydrophobicContact CG-CE1 3.81Å; F11-F38 HydrophobicContact CG-CZ 4.23Å; F11-F38 WeakPolarHBondContact O-CA 3.36Å; F11-Y39 PolarHBondContact O-N 3.39Å |
| 12 | L | 95.4 | Very high | 88 | Confident | 58 Ų | 58 | 79.1 Ų | 79.1 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.7 | 168 | -55.6 | -165.3 | 0 | 0 | 0 | 109.3 | Y39 L63 L67 I70 | L12-Y39 HydrophobicContact CD2-CD2 4Å; L12-Y39 HydrophobicContact CD2-CG 4.13Å; L12-L63 HydrophobicContact CB-CD1 4.46Å; L12-L63 HydrophobicContact CD1-CB 3.92Å; L12-L67 HydrophobicContact CD1-CD2 3.82Å; L12-I70 HydrophobicContact CD1-CD1 4.16Å; L12-I70 HydrophobicContact CD2-CG2 3.6Å |
| 13 | V | 93.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.4 | -174.1 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | F11 N19 F38 Y39 C41 | F11-V13 HydrophobicContact CB-CG1 4.28Å; V13-N19 HydrophobicContact CB-CB 4.13Å; V13-N19 HydrophobicContact CG1-CB 3.88Å; V13-F38 HydrophobicContact CG1-CD1 3.79Å; V13-F38 HydrophobicContact CG1-CE1 4.26Å; V13-F38 HydrophobicContact CG2-CB 4.39Å; V13-F38 HydrophobicContact CG2-CD1 4.29Å; V13-Y39 VanDerWaalsContact CG2-O 3.29Å; V13-Y39 WeakPolarHBondContact CG2-O 3.38Å; V13-Y39 PolarHBondContact N-O 3.21Å; V13-C41 WeakPolarHBondContact O-CB 3.47Å; V13-C41 PolarHBondContact O-N 2.97Å |
| 14 | T | 90.9 | Very high | 90.1 | Very high | 50 Ų | 50 | 76.7 Ų | 76.7 | 31% | 0.307 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -57.4 | -53.8 | 177.9 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | S18 N40 N42 L45 | T14-S18 PolarHBondContact OG1-OG 3.45Å; T14-N40 PolarHBondContact O-OD1 3.46Å; T14-N42 WeakPolarHBondContact O-CA 3.48Å; T14-N42 WeakPolarHBondContact O-CB 3.33Å; T14-N42 PolarHBondContact O-N 3.3Å; T14-N42 VanDerWaalsContact O-N 3.12Å; T14-L45 HydrophobicContact CG2-CD1 3.84Å |
| 15 | T | 88.1 | Confident | 90.8 | Very high | 40 Ų | 40 | 75.3 Ų | 75.3 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | trans | -141.9 | 153.9 | 166 | 76.1 | 0 | 0 | 0 | 0 | 109.5 | T17 S18 N19 N42 | T15-T17 VanDerWaalsContact C-N 3.27Å; T15-T17 PolarHBondContact O-N 3.03Å; T15-S18 PolarHBondContact N-OG 2.83Å; T15-S18 PolarHBondContact O-N 2.94Å; T15-S18 PolarHBondContact O-OG 2.76Å; T15-S18 VanDerWaalsContact OG1-CB 3.3Å; T15-S18 WeakPolarHBondContact OG1-CB 3.29Å; T15-S18 PolarHBondContact OG1-N 3.24Å; T15-S18 PolarHBondContact OG1-OG 2.95Å; T15-N19 PolarHBondContact O-N 3.02Å; T15-N19 PolarHBondContact O-ND2 3.16Å; T15-N42 HydrophobicContact CG2-CB 4.31Å | ||
| 16 | I | 82.7 | Confident | 91 | Very high | 73 Ų | 73 | 69 Ų | 69 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -42 | 173.6 | -65.7 | 175.1 | 0 | 0 | 0 | 110.1 | S18 N19 R20 M23 N40 | I16-S18 PolarHBondContact O-N 3.08Å; I16-N19 CarbonylContact O-C 3.58Å; I16-N19 PolarHBondContact O-N 2.72Å; I16-N19 VanDerWaalsContact O-N 3.14Å; I16-R20 PolarHBondContact O-N 3.11Å; I16-M23 HydrophobicContact CG2-CE 4.06Å; I16-M23 HydrophobicContact CG2-SD 3.52Å; I16-M23 VanDerWaalsContact CG2-SD 3.52Å; I16-N40 HydrophobicContact CD1-CB 4.45Å; I16-N40 HydrophobicContact CG1-CB 4.26Å |
| 17 | T | 83.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -64.3 | -42.3 | -178.1 | -58 | 0 | 0 | 0 | 0 | 112.7 | T15 N19 R20 | T15-T17 VanDerWaalsContact C-N 3.27Å; T15-T17 PolarHBondContact O-N 3.03Å; T17-N19 PolarHBondContact O-N 3.43Å; T17-R20 WeakPolarHBondContact O-CG 3.33Å |
| 18 | S | 84.9 | Confident | 90.7 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -68.4 | -19.1 | 177 | 56.1 | 0 | 0 | 0 | 0 | 113 | T14 T15 I16 | T14-S18 PolarHBondContact OG1-OG 3.45Å; T15-S18 PolarHBondContact N-OG 2.83Å; T15-S18 PolarHBondContact O-N 2.94Å; T15-S18 PolarHBondContact O-OG 2.76Å; T15-S18 VanDerWaalsContact OG1-CB 3.3Å; T15-S18 WeakPolarHBondContact OG1-CB 3.29Å; T15-S18 PolarHBondContact OG1-N 3.24Å; T15-S18 PolarHBondContact OG1-OG 2.95Å; I16-S18 PolarHBondContact O-N 3.08Å |
| 19 | N | 87.9 | Confident | 90.4 | Very high | 41 Ų | 41 | 75 Ų | 75 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -110.2 | 17.2 | -176.5 | -69.6 | -83.3 | 0 | 0 | 0 | 113.7 | V13 T15 I16 T17 R21 L22 M23 | V13-N19 HydrophobicContact CB-CB 4.13Å; V13-N19 HydrophobicContact CG1-CB 3.88Å; T15-N19 PolarHBondContact O-N 3.02Å; T15-N19 PolarHBondContact O-ND2 3.16Å; I16-N19 CarbonylContact O-C 3.58Å; I16-N19 PolarHBondContact O-N 2.72Å; I16-N19 VanDerWaalsContact O-N 3.14Å; T17-N19 PolarHBondContact O-N 3.43Å; N19-R21 PolarHBondContact O-N 3.01Å; N19-R21 VanDerWaalsContact O-N 3.11Å; N19-L22 PolarHBondContact O-N 3.18Å; N19-L22 VanDerWaalsContact O-N 3.07Å; N19-M23 PolarHBondContact O-N 2.99Å; N19-M23 VanDerWaalsContact O-N 3.09Å |
| 20 | R | 89.8 | Confident | 89.9 | Confident | 153 Ų | 153 | 81 Ų | 81 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -52.8 | -34.1 | 177.2 | -77 | 176.3 | -179.1 | -173.9 | 3.7 | 113.6 | I16 T17 M23 N24 | I16-R20 PolarHBondContact O-N 3.11Å; T17-R20 WeakPolarHBondContact O-CG 3.33Å; R20-M23 PolarHBondContact O-N 2.87Å; R20-N24 WeakPolarHBondContact O-CB 3.41Å; R20-N24 PolarHBondContact O-N 3.29Å; R20-N24 PolarHBondContact O-ND2 3.16Å; R20-N24 PolarHBondContact O-OD1 3.45Å |
| 21 | R | 91.4 | Very high | 89.4 | Confident | 217 Ų | 217 | 82.5 Ų | 82.5 | 82% | 0.819 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 177.6 | -70.2 | -174.6 | -179.9 | 179.2 | 0.4 | 112 | N19 N24 L25 | N19-R21 PolarHBondContact O-N 3.01Å; N19-R21 VanDerWaalsContact O-N 3.11Å; R21-N24 PolarHBondContact O-N 3.41Å; R21-L25 PolarHBondContact O-N 2.93Å |
| 22 | L | 90.2 | Very high | 89.1 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 29% | 0.293 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177 | 177.9 | 59.4 | 0 | 0 | 0 | 111 | F11 N19 N24 L25 M26 F38 | F11-L22 HydrophobicContact CD1-CD2 3.92Å; F11-L22 HydrophobicContact CE1-CD2 4.11Å; F11-L22 HydrophobicContact CG-CD2 4.44Å; N19-L22 PolarHBondContact O-N 3.18Å; N19-L22 VanDerWaalsContact O-N 3.07Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.93Å; L22-L25 WeakPolarHBondContact O-CB 3.28Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-M26 HydrophobicContact CD1-CG 4.29Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 2.93Å; L22-F38 HydrophobicContact CD2-CE1 3.95Å; L22-F38 HydrophobicContact CG-CE1 4.02Å; L22-F38 HydrophobicContact CG-CZ 4.21Å |
| 23 | M | 88 | Confident | 88.9 | Confident | 45 Ų | 45 | 92.9 Ų | 92.9 | 22% | 0.222 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 174.9 | -66 | -179.3 | 79 | 0 | 0 | 112.1 | I16 N19 R20 M26 N27 F38 | I16-M23 HydrophobicContact CG2-CE 4.06Å; I16-M23 HydrophobicContact CG2-SD 3.52Å; I16-M23 VanDerWaalsContact CG2-SD 3.52Å; N19-M23 PolarHBondContact O-N 2.99Å; N19-M23 VanDerWaalsContact O-N 3.09Å; R20-M23 PolarHBondContact O-N 2.87Å; M23-M26 PolarHBondContact O-N 3.36Å; M23-N27 WeakPolarHBondContact O-CB 3.31Å; M23-N27 PolarHBondContact O-N 3.3Å; M23-N27 PolarHBondContact O-ND2 3.04Å; M23-F38 HydrophobicContact CB-CE2 4.29Å; M23-F38 HydrophobicContact CB-CZ 4.19Å; M23-F38 HydrophobicContact CE-CD2 4.18Å; M23-F38 HydrophobicContact CG-CD1 4Å; M23-F38 HydrophobicContact CG-CD2 3.96Å; M23-F38 HydrophobicContact CG-CE1 3.72Å; M23-F38 HydrophobicContact CG-CE2 3.65Å; M23-F38 HydrophobicContact CG-CG 4.12Å; M23-F38 HydrophobicContact CG-CZ 3.54Å |
| 24 | N | 91.3 | Very high | 88.8 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.7 | -72.7 | -10.7 | 0 | 0 | 0 | 111.5 | R20 R21 L22 N27 T28 | R20-N24 WeakPolarHBondContact O-CB 3.41Å; R20-N24 PolarHBondContact O-N 3.29Å; R20-N24 PolarHBondContact O-ND2 3.16Å; R20-N24 PolarHBondContact O-OD1 3.45Å; R21-N24 PolarHBondContact O-N 3.41Å; L22-N24 VanDerWaalsContact C-N 3.31Å; L22-N24 PolarHBondContact O-N 2.93Å; N24-N27 PolarHBondContact O-N 3.2Å; N24-T28 WeakPolarHBondContact O-CB 3.44Å; N24-T28 VanDerWaalsContact O-CG2 3.27Å; N24-T28 WeakPolarHBondContact O-CG2 3.3Å; N24-T28 PolarHBondContact O-N 3.05Å; N24-T28 PolarHBondContact O-OG1 3.23Å |
| 25 | L | 92.1 | Very high | 89 | Confident | 78 Ų | 78 | 96.9 Ų | 96.9 | 41% | 0.408 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.6 | -52.2 | 173.3 | -81.5 | 154.7 | 0 | 0 | 0 | 111.2 | R21 L22 N27 T28 W29 | R21-L25 PolarHBondContact O-N 2.93Å; L22-L25 WeakPolarHBondContact O-CB 3.28Å; L22-L25 PolarHBondContact O-N 3.49Å; L25-N27 VanDerWaalsContact C-N 3.33Å; L25-N27 PolarHBondContact O-N 3.07Å; L25-T28 PolarHBondContact O-N 3.16Å; L25-T28 VanDerWaalsContact O-N 3.1Å; L25-T28 PolarHBondContact O-OG1 3.32Å; L25-W29 HydrophobicContact CD2-CZ2 4.11Å; L25-W29 WeakPolarHBondContact O-CB 3.42Å; L25-W29 VanDerWaalsContact O-CG 3.28Å; L25-W29 PolarHBondContact O-N 3.01Å |
| 26 | M | 90.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 97.9 Ų | 97.9 | 6% | 0.059 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.5 | -38.8 | -179.7 | -64.3 | -53 | -64.8 | 0 | 0 | 112.8 | F11 L22 M23 T28 W29 L31 M34 Y36 F38 | F11-M26 HydrophobicContact CE2-CE 4Å; F11-M26 HydrophobicContact CE2-CG 4Å; F11-M26 HydrophobicContact CE2-SD 4.2Å; F11-M26 HydrophobicContact CZ-CE 4.06Å; F11-M26 HydrophobicContact CZ-CG 4.18Å; F11-M26 HydrophobicContact CZ-SD 3.93Å; L22-M26 HydrophobicContact CD1-CG 4.29Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 2.93Å; M23-M26 PolarHBondContact O-N 3.36Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-W29 HydrophobicContact SD-CE3 4.26Å; M26-W29 HydrophobicContact SD-CZ3 4.48Å; M26-L31 HydrophobicContact CE-CD1 4.27Å; M26-M34 HydrophobicContact CE-SD 4.01Å; M26-Y36 HydrophobicContact CB-CD1 4.12Å; M26-Y36 HydrophobicContact CB-CD2 4.15Å; M26-Y36 HydrophobicContact CB-CE1 3.8Å; M26-Y36 HydrophobicContact CB-CE2 3.83Å; M26-Y36 HydrophobicContact CB-CG 4.28Å; M26-Y36 HydrophobicContact CE-CD1 3.87Å; M26-Y36 HydrophobicContact CE-CE1 4.47Å; M26-Y36 HydrophobicContact CE-CG 4.18Å; M26-F38 HydrophobicContact CG-CZ 4.19Å |
| 27 | N | 87.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | 175.9 | -80.3 | -64.5 | 0 | 0 | 0 | 113.2 | M23 N24 L25 Y36 | M23-N27 WeakPolarHBondContact O-CB 3.31Å; M23-N27 PolarHBondContact O-N 3.3Å; M23-N27 PolarHBondContact O-ND2 3.04Å; N24-N27 PolarHBondContact O-N 3.2Å; L25-N27 VanDerWaalsContact C-N 3.33Å; L25-N27 PolarHBondContact O-N 3.07Å; N27-Y36 WeakPolarHBondContact CA-OH 3.35Å; N27-Y36 PolarHBondContact N-OH 3.37Å; N27-Y36 PolarHBondContact OD1-OH 2.93Å |
| 28 | T | 92.4 | Very high | 90.4 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -95.2 | -23.5 | -173.1 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | N24 L25 M26 K30 | N24-T28 WeakPolarHBondContact O-CB 3.44Å; N24-T28 VanDerWaalsContact O-CG2 3.27Å; N24-T28 WeakPolarHBondContact O-CG2 3.3Å; N24-T28 PolarHBondContact O-N 3.05Å; N24-T28 PolarHBondContact O-OG1 3.23Å; L25-T28 PolarHBondContact O-N 3.16Å; L25-T28 VanDerWaalsContact O-N 3.1Å; L25-T28 PolarHBondContact O-OG1 3.32Å; M26-T28 VanDerWaalsContact C-N 3.35Å; T28-K30 PolarHBondContact O-N 3.35Å |
| 29 | W | 90.1 | Very high | 90.9 | Very high | 155 Ų | 155 | 95.7 Ų | 95.7 | 59% | 0.587 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.5 | -21.1 | 177.6 | -81.2 | 2.3 | 0 | 0 | 0 | 114.1 | L25 M26 L31 | L25-W29 HydrophobicContact CD2-CZ2 4.11Å; L25-W29 WeakPolarHBondContact O-CB 3.42Å; L25-W29 VanDerWaalsContact O-CG 3.28Å; L25-W29 PolarHBondContact O-N 3.01Å; M26-W29 HydrophobicContact SD-CE3 4.26Å; M26-W29 HydrophobicContact SD-CZ3 4.48Å; W29-L31 HydrophobicContact CB-CD2 4.32Å; W29-L31 HydrophobicContact CB-CG 4.02Å; W29-L31 HydrophobicContact CE3-CD1 3.97Å; W29-L31 HydrophobicContact CE3-CG 4.48Å; W29-L31 PolarHBondContact O-N 3.44Å |
| 30 | K | 84.1 | Confident | 91.3 | Very high | 179 Ų | 179 | 97.3 Ų | 97.3 | 78% | 0.778 | 44% | 0.437 | S | S | * | . | trans | 50.4 | 43.2 | 177.1 | -61.8 | 178.7 | -178.2 | -178.8 | 0 | 112.7 | T28 R32 | T28-K30 PolarHBondContact O-N 3.35Å; K30-R32 PolarHBondContact O-N 2.75Å | ||
| 31 | L | 87.5 | Confident | 91.6 | Very high | 78 Ų | 78 | 90 Ų | 90 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | trans | -62 | 133 | 179 | -62.5 | 179.3 | 0 | 0 | 0 | 110.1 | M26 W29 M34 | M26-L31 HydrophobicContact CE-CD1 4.27Å; W29-L31 HydrophobicContact CB-CD2 4.32Å; W29-L31 HydrophobicContact CB-CG 4.02Å; W29-L31 HydrophobicContact CE3-CD1 3.97Å; W29-L31 HydrophobicContact CE3-CG 4.48Å; W29-L31 PolarHBondContact O-N 3.44Å; L31-M34 HydrophobicContact CB-CB 4.01Å; L31-M34 HydrophobicContact CB-SD 4.11Å; L31-M34 HydrophobicContact CD1-CE 3.82Å; L31-M34 HydrophobicContact CD1-SD 3.3Å; L31-M34 WeakPolarHBondContact CD1-SD 3.38Å; L31-M34 HydrophobicContact CG-SD 4.34Å | ||
| 32 | R | 89.3 | Confident | 91.7 | Very high | 225 Ų | 225 | 83.2 Ų | 83.2 | 85% | 0.849 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 146.7 | 178.1 | -65 | -176.7 | -179.1 | 179.2 | 0.5 | 109.7 | K30 M34 | K30-R32 PolarHBondContact O-N 2.75Å; R32-M34 PolarHBondContact O-N 2.92Å |
| 33 | N | 90.8 | Very high | 92 | Very high | 93 Ų | 93 | 86.1 Ų | 86.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 35 | 178 | -51.6 | -32.9 | 0 | 0 | 0 | 113.1 | T4 I6 T7 | T4-N33 WeakPolarHBondContact CG2-ND2 3.3Å; I6-N33 WeakPolarHBondContact CA-O 3.29Å; T7-N33 PolarHBondContact N-O 3.34Å |
| 34 | M | 91.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 86.9 Ų | 86.9 | 28% | 0.276 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.5 | 178.8 | -172 | 176.4 | -70.6 | 0 | 0 | 110.4 | T7 I9 M26 L31 R32 | T7-M34 VanDerWaalsContact O-CA 3.27Å; T7-M34 WeakPolarHBondContact O-CA 3.44Å; T7-M34 WeakPolarHBondContact O-CG 3.5Å; I9-M34 HydrophobicContact CD1-CE 3.85Å; I9-M34 HydrophobicContact CD1-CG 4.3Å; I9-M34 HydrophobicContact CD1-SD 3.46Å; I9-M34 WeakPolarHBondContact CD1-SD 3.37Å; I9-M34 HydrophobicContact CG1-CG 4.43Å; I9-M34 HydrophobicContact CG1-SD 4.2Å; M26-M34 HydrophobicContact CE-SD 4.01Å; L31-M34 HydrophobicContact CB-CB 4.01Å; L31-M34 HydrophobicContact CB-SD 4.11Å; L31-M34 HydrophobicContact CD1-CE 3.82Å; L31-M34 HydrophobicContact CD1-SD 3.3Å; L31-M34 WeakPolarHBondContact CD1-SD 3.38Å; L31-M34 HydrophobicContact CG-SD 4.34Å; R32-M34 PolarHBondContact O-N 2.92Å |
| 35 | E | 94.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 83.2 Ų | 83.2 | 40% | 0.397 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 153.8 | 168.9 | -67 | -179.6 | -174.5 | 0 | 0 | 108.8 | I6 T7 V8 I9 Y37 | I6-E35 HydrophobicContact CG2-CB 4.43Å; I6-E35 HydrophobicContact CG2-CG 3.92Å; T7-E35 PolarHBondContact O-N 3.43Å; V8-E35 CarbonylContact C-O 3.5Å; V8-E35 WeakPolarHBondContact CA-O 3.35Å; V8-E35 HydrophobicContact CG1-CB 4.33Å; V8-E35 HydrophobicContact CG2-CB 4.33Å; I9-E35 PolarHBondContact N-O 2.97Å; E35-Y37 HydrophobicContact CB-CE2 4.43Å |
| 36 | Y | 93.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 82.6 Ų | 82.6 | 24% | 0.239 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 148.6 | 176.9 | 57.9 | -93.3 | 0 | 0 | 0 | 112.1 | I9 F11 M26 N27 F38 | I9-Y36 CarbonylContact O-C 3.52Å; I9-Y36 WeakPolarHBondContact O-CA 3.49Å; F11-Y36 HydrophobicContact CE2-CG 4.49Å; M26-Y36 HydrophobicContact CB-CD1 4.12Å; M26-Y36 HydrophobicContact CB-CD2 4.15Å; M26-Y36 HydrophobicContact CB-CE1 3.8Å; M26-Y36 HydrophobicContact CB-CE2 3.83Å; M26-Y36 HydrophobicContact CB-CG 4.28Å; M26-Y36 HydrophobicContact CE-CD1 3.87Å; M26-Y36 HydrophobicContact CE-CE1 4.47Å; M26-Y36 HydrophobicContact CE-CG 4.18Å; N27-Y36 WeakPolarHBondContact CA-OH 3.35Å; N27-Y36 PolarHBondContact N-OH 3.37Å; N27-Y36 PolarHBondContact OD1-OH 2.93Å; Y36-F38 HydrophobicContact CD2-CD2 4.01Å; Y36-F38 AromaticContact CD2-CE2 3.43Å; Y36-F38 HydrophobicContact CD2-CE2 3.43Å; Y36-F38 VanDerWaalsContact CD2-CE2 3.43Å; Y36-F38 HydrophobicContact CD2-CZ 4.36Å; Y36-F38 HydrophobicContact CE2-CD2 4.36Å; Y36-F38 AromaticContact CE2-CE2 3.67Å; Y36-F38 HydrophobicContact CE2-CE2 3.67Å |
| 37 | Y | 95.2 | Very high | 93 | Very high | 111 Ų | 111 | 86.8 Ų | 86.8 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.4 | -178.9 | -63.5 | -86.1 | 0 | 0 | 0 | 109.9 | V8 I9 H10 F11 E35 | V8-Y37 HydrophobicContact CG1-CD2 3.71Å; V8-Y37 HydrophobicContact CG1-CE2 3.6Å; I9-Y37 PolarHBondContact O-N 3.49Å; H10-Y37 AromaticContact CE1-CD2 3.76Å; F11-Y37 PolarHBondContact N-O 3.25Å; E35-Y37 HydrophobicContact CB-CE2 4.43Å |
| 38 | F | 95.3 | Very high | 93.4 | Very high | 37 Ų | 37 | 82.3 Ų | 82.3 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 177.4 | -72.1 | -90.2 | 0 | 0 | 0 | 110.1 | F11 V13 L22 M23 M26 Y36 | F11-F38 HydrophobicContact CB-CD1 3.6Å; F11-F38 HydrophobicContact CB-CE1 3.73Å; F11-F38 HydrophobicContact CB-CG 4.29Å; F11-F38 HydrophobicContact CD2-CD1 4.28Å; F11-F38 AromaticContact CD2-CE1 3.8Å; F11-F38 HydrophobicContact CD2-CE1 3.8Å; F11-F38 HydrophobicContact CD2-CE2 4.2Å; F11-F38 AromaticContact CD2-CZ 3.74Å; F11-F38 HydrophobicContact CD2-CZ 3.74Å; F11-F38 HydrophobicContact CE2-CZ 4.2Å; F11-F38 HydrophobicContact CG-CD1 4.18Å; F11-F38 AromaticContact CG-CE1 3.81Å; F11-F38 HydrophobicContact CG-CE1 3.81Å; F11-F38 HydrophobicContact CG-CZ 4.23Å; F11-F38 WeakPolarHBondContact O-CA 3.36Å; V13-F38 HydrophobicContact CG1-CD1 3.79Å; V13-F38 HydrophobicContact CG1-CE1 4.26Å; V13-F38 HydrophobicContact CG2-CB 4.39Å; V13-F38 HydrophobicContact CG2-CD1 4.29Å; L22-F38 HydrophobicContact CD2-CE1 3.95Å; L22-F38 HydrophobicContact CG-CE1 4.02Å; L22-F38 HydrophobicContact CG-CZ 4.21Å; M23-F38 HydrophobicContact CB-CE2 4.29Å; M23-F38 HydrophobicContact CB-CZ 4.19Å; M23-F38 HydrophobicContact CE-CD2 4.18Å; M23-F38 HydrophobicContact CG-CD1 4Å; M23-F38 HydrophobicContact CG-CD2 3.96Å; M23-F38 HydrophobicContact CG-CE1 3.72Å; M23-F38 HydrophobicContact CG-CE2 3.65Å; M23-F38 HydrophobicContact CG-CG 4.12Å; M23-F38 HydrophobicContact CG-CZ 3.54Å; M26-F38 HydrophobicContact CG-CZ 4.19Å; Y36-F38 HydrophobicContact CD2-CD2 4.01Å; Y36-F38 AromaticContact CD2-CE2 3.43Å; Y36-F38 HydrophobicContact CD2-CE2 3.43Å; Y36-F38 VanDerWaalsContact CD2-CE2 3.43Å; Y36-F38 HydrophobicContact CD2-CZ 4.36Å; Y36-F38 HydrophobicContact CE2-CD2 4.36Å; Y36-F38 AromaticContact CE2-CE2 3.67Å; Y36-F38 HydrophobicContact CE2-CE2 3.67Å |
| 39 | Y | 96.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 84.7 Ų | 84.7 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.3 | 179 | -60.3 | -89.8 | 0 | 0 | 0 | 109.5 | H10 F11 L12 V13 C41 I70 L71 P72 | H10-Y39 HydrophobicContact CB-CD2 4.34Å; H10-Y39 HydrophobicContact CB-CE2 3.73Å; H10-Y39 PolarHBondContact CE1-OH 2.94Å; H10-Y39 AromaticContact CG-CE2 3.91Å; H10-Y39 AromaticContact ND1-CE2 3.32Å; H10-Y39 VanDerWaalsContact ND1-CE2 3.32Å; H10-Y39 WeakPolarHBondContact ND1-CE2 3.42Å; H10-Y39 AromaticContact ND1-CZ 3.53Å; H10-Y39 PolarHBondContact ND1-OH 3.44Å; F11-Y39 PolarHBondContact O-N 3.39Å; L12-Y39 HydrophobicContact CD2-CD2 4Å; L12-Y39 HydrophobicContact CD2-CG 4.13Å; V13-Y39 VanDerWaalsContact CG2-O 3.29Å; V13-Y39 WeakPolarHBondContact CG2-O 3.38Å; V13-Y39 PolarHBondContact N-O 3.21Å; Y39-C41 PolarHBondContact O-N 2.99Å; Y39-C41 PolarHBondContact O-SG 3.48Å; Y39-I70 HydrophobicContact CD1-CG2 4.22Å; Y39-I70 HydrophobicContact CG-CG2 4.1Å; Y39-L71 HydrophobicContact CD2-CD2 4.17Å; Y39-L71 HydrophobicContact CE1-CD2 4.26Å; Y39-L71 HydrophobicContact CE2-CD2 3.78Å; Y39-P72 HydrophobicContact CE1-CG 4.18Å; Y39-P72 WeakPolarHBondContact OH-CD 3.5Å |
| 40 | N | 95.6 | Very high | 93.7 | Very high | 76 Ų | 76 | 82.2 Ų | 82.2 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 114.2 | 175.1 | -175.6 | -18 | 0 | 0 | 0 | 109.9 | T14 I16 N42 | T14-N40 PolarHBondContact O-OD1 3.46Å; I16-N40 HydrophobicContact CD1-CB 4.45Å; I16-N40 HydrophobicContact CG1-CB 4.26Å; N40-N42 WeakPolarHBondContact OD1-CB 3.26Å; N40-N42 PolarHBondContact OD1-N 2.96Å |
| 41 | C | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -102.4 | 9 | -174.1 | -61.4 | 0 | 0 | 0 | 0 | 114.3 | V13 Y39 N43 Y44 L45 L63 | V13-C41 WeakPolarHBondContact O-CB 3.47Å; V13-C41 PolarHBondContact O-N 2.97Å; Y39-C41 PolarHBondContact O-N 2.99Å; Y39-C41 PolarHBondContact O-SG 3.48Å; C41-N43 VanDerWaalsContact C-N 3.3Å; C41-N43 PolarHBondContact O-N 3.28Å; C41-Y44 HydrophobicContact CB-CD2 4.35Å; C41-Y44 PolarHBondContact O-N 2.92Å; C41-Y44 VanDerWaalsContact O-N 3.17Å; C41-L45 HydrophobicContact CB-CG 4.5Å; C41-L45 WeakPolarHBondContact O-CB 3.06Å; C41-L45 VanDerWaalsContact O-CG 3.29Å; C41-L45 WeakPolarHBondContact O-CG 3.45Å; C41-L45 PolarHBondContact O-N 3.32Å; C41-L63 HydrophobicContact CB-CD1 3.63Å; C41-L63 HydrophobicContact CB-CD2 3.88Å; C41-L63 HydrophobicContact CB-CG 4.44Å | ||
| 42 | N | 95 | Very high | 94.7 | Very high | 73 Ų | 73 | 74.8 Ų | 74.8 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.5 | -43.7 | -177.1 | -168.5 | 68.1 | 0 | 0 | 0 | 113.1 | T14 T15 N40 L45 T46 | T14-N42 WeakPolarHBondContact O-CA 3.48Å; T14-N42 WeakPolarHBondContact O-CB 3.33Å; T14-N42 PolarHBondContact O-N 3.3Å; T14-N42 VanDerWaalsContact O-N 3.12Å; T15-N42 HydrophobicContact CG2-CB 4.31Å; N40-N42 WeakPolarHBondContact OD1-CB 3.26Å; N40-N42 PolarHBondContact OD1-N 2.96Å; N42-L45 PolarHBondContact O-N 3.18Å; N42-T46 PolarHBondContact O-N 3.21Å; N42-T46 PolarHBondContact O-OG1 2.58Å |
| 43 | N | 95.4 | Very high | 95 | Very high | 117 Ų | 117 | 65.1 Ų | 65.1 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.5 | -42.2 | 179.9 | -66.5 | -6.2 | 0 | 0 | 0 | 111.3 | C41 T46 N47 | C41-N43 VanDerWaalsContact C-N 3.3Å; C41-N43 PolarHBondContact O-N 3.28Å; N43-T46 WeakPolarHBondContact O-CB 3.29Å; N43-T46 PolarHBondContact O-N 3.01Å; N43-N47 PolarHBondContact O-N 3.23Å; N43-N47 VanDerWaalsContact O-N 3.1Å |
| 44 | Y | 96.3 | Very high | 95.1 | Very high | 62 Ų | 62 | 68.3 Ų | 68.3 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.6 | -59.9 | -64.5 | 0 | 0 | 0 | 111.7 | C41 T46 N47 L48 M66 E69 I70 | C41-Y44 HydrophobicContact CB-CD2 4.35Å; C41-Y44 PolarHBondContact O-N 2.92Å; C41-Y44 VanDerWaalsContact O-N 3.17Å; Y44-T46 VanDerWaalsContact C-N 3.25Å; Y44-T46 PolarHBondContact O-N 2.9Å; Y44-N47 WeakPolarHBondContact O-CB 3.29Å; Y44-N47 PolarHBondContact O-N 3.36Å; Y44-N47 VanDerWaalsContact O-N 3.07Å; Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.42Å; Y44-M66 HydrophobicContact CD1-CE 3.56Å; Y44-M66 HydrophobicContact CD1-SD 4.46Å; Y44-M66 HydrophobicContact CE1-CE 4.48Å; Y44-M66 HydrophobicContact CG-CE 4.21Å; Y44-E69 HydrophobicContact CE1-CB 4.25Å; Y44-E69 PolarHBondContact OH-O 3.44Å; Y44-I70 HydrophobicContact CD1-CG1 4.26Å; Y44-I70 HydrophobicContact CD2-CD1 4.16Å; Y44-I70 HydrophobicContact CD2-CG1 3.64Å; Y44-I70 HydrophobicContact CE1-CG1 4.18Å; Y44-I70 HydrophobicContact CE2-CB 4.31Å; Y44-I70 HydrophobicContact CE2-CG1 3.6Å; Y44-I70 HydrophobicContact CE2-CG2 4.39Å; Y44-I70 HydrophobicContact CG-CD1 4.36Å; Y44-I70 HydrophobicContact CG-CG1 4Å |
| 45 | L | 95.4 | Very high | 95 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -32.6 | 175.6 | -69.5 | 170.3 | 0 | 0 | 0 | 112.9 | T14 C41 N42 L48 K60 L63 | T14-L45 HydrophobicContact CG2-CD1 3.84Å; C41-L45 HydrophobicContact CB-CG 4.5Å; C41-L45 WeakPolarHBondContact O-CB 3.06Å; C41-L45 VanDerWaalsContact O-CG 3.29Å; C41-L45 WeakPolarHBondContact O-CG 3.45Å; C41-L45 PolarHBondContact O-N 3.32Å; N42-L45 PolarHBondContact O-N 3.18Å; L45-L48 HydrophobicContact CD2-CD1 4.43Å; L45-L48 PolarHBondContact O-N 3.14Å; L45-K60 HydrophobicContact CD2-CB 4.43Å; L45-K60 HydrophobicContact CD2-CG 4.18Å; L45-L63 HydrophobicContact CD2-CD1 3.88Å; L45-L63 HydrophobicContact CD2-CD2 4.04Å; L45-L63 HydrophobicContact CD2-CG 3.88Å; L45-L63 HydrophobicContact CG-CD1 4.22Å; L45-L63 HydrophobicContact CG-CD2 4.2Å; L45-L63 HydrophobicContact CG-CG 4.46Å |
| 46 | T | 95.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | N42 N43 Y44 L48 Q49 | N42-T46 PolarHBondContact O-N 3.21Å; N42-T46 PolarHBondContact O-OG1 2.58Å; N43-T46 WeakPolarHBondContact O-CB 3.29Å; N43-T46 PolarHBondContact O-N 3.01Å; Y44-T46 VanDerWaalsContact C-N 3.25Å; Y44-T46 PolarHBondContact O-N 2.9Å; T46-L48 PolarHBondContact O-N 2.91Å; T46-Q49 WeakPolarHBondContact O-CB 3.3Å; T46-Q49 WeakPolarHBondContact O-CG 3.46Å; T46-Q49 PolarHBondContact O-N 3.01Å |
| 47 | N | 94.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 70.1 Ų | 70.1 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -11.2 | 175.8 | -65.8 | -9.5 | 0 | 0 | 0 | 113.8 | N43 Y44 W50 | N43-N47 PolarHBondContact O-N 3.23Å; N43-N47 VanDerWaalsContact O-N 3.1Å; Y44-N47 WeakPolarHBondContact O-CB 3.29Å; Y44-N47 PolarHBondContact O-N 3.36Å; Y44-N47 VanDerWaalsContact O-N 3.07Å; N47-W50 PolarHBondContact O-NE1 2.87Å |
| 48 | L | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -1.1 | 178.2 | -65.9 | 167.5 | 0 | 0 | 0 | 113.3 | Y44 L45 T46 W50 I51 T59 F62 L63 M66 W154 | Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.42Å; L45-L48 HydrophobicContact CD2-CD1 4.43Å; L45-L48 PolarHBondContact O-N 3.14Å; T46-L48 PolarHBondContact O-N 2.91Å; L48-W50 PolarHBondContact O-N 3.48Å; L48-W50 VanDerWaalsContact O-N 3.14Å; L48-I51 HydrophobicContact CB-CD1 4.44Å; L48-I51 HydrophobicContact CD2-CD1 3.6Å; L48-I51 WeakPolarHBondContact O-CB 3.46Å; L48-I51 PolarHBondContact O-N 2.82Å; L48-T59 HydrophobicContact CB-CG2 4.5Å; L48-F62 HydrophobicContact CD1-CB 3.83Å; L48-F62 HydrophobicContact CD2-CB 4.03Å; L48-F62 HydrophobicContact CG-CB 4.5Å; L48-L63 HydrophobicContact CD1-CD2 4.18Å; L48-M66 HydrophobicContact CD1-SD 3.67Å; L48-M66 HydrophobicContact CD2-SD 3.78Å; L48-M66 HydrophobicContact CG-SD 3.78Å; L48-W154 HydrophobicContact CD2-CH2 3.88Å; L48-W154 HydrophobicContact CD2-CZ3 4.37Å |
| 49 | Q | 94 | Very high | 94.2 | Very high | 147 Ų | 147 | 66.4 Ų | 66.4 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.2 | -175.7 | -73.6 | -178.4 | -5.6 | 0 | 0 | 114.8 | T46 I51 | T46-Q49 WeakPolarHBondContact O-CB 3.3Å; T46-Q49 WeakPolarHBondContact O-CG 3.46Å; T46-Q49 PolarHBondContact O-N 3.01Å; Q49-I51 PolarHBondContact O-N 3.2Å |
| 50 | W | 95.8 | Very high | 94.1 | Very high | 102 Ų | 102 | 70.8 Ų | 70.8 | 39% | 0.386 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -13 | 175.5 | 64.6 | -88.6 | 0 | 0 | 0 | 113 | N47 L48 N52 W154 I155 T158 R159 L162 | N47-W50 PolarHBondContact O-NE1 2.87Å; L48-W50 PolarHBondContact O-N 3.48Å; L48-W50 VanDerWaalsContact O-N 3.14Å; W50-N52 PolarHBondContact O-N 3.32Å; W50-W154 HydrophobicContact CZ2-CZ3 4.28Å; W50-I155 HydrophobicContact CH2-CG2 4.39Å; W50-I155 HydrophobicContact CZ2-CG2 4.41Å; W50-T158 HydrophobicContact CH2-CG2 3.41Å; W50-T158 VanDerWaalsContact CH2-CG2 3.41Å; W50-T158 HydrophobicContact CZ2-CG2 4.35Å; W50-T158 HydrophobicContact CZ3-CG2 3.58Å; W50-R159 HydrophobicContact CH2-CG 3.88Å; W50-R159 HydrophobicContact CZ3-CG 3.64Å; W50-L162 HydrophobicContact CE3-CD1 3.87Å; W50-L162 HydrophobicContact CZ3-CD1 3.75Å |
| 51 | I | 97 | Very high | 94.1 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | trans | -83.9 | 116.8 | -177.8 | -56.6 | -179.6 | 0 | 0 | 0 | 109.8 | L48 Q49 F62 W154 T158 L168 | L48-I51 HydrophobicContact CB-CD1 4.44Å; L48-I51 HydrophobicContact CD2-CD1 3.6Å; L48-I51 WeakPolarHBondContact O-CB 3.46Å; L48-I51 PolarHBondContact O-N 2.82Å; Q49-I51 PolarHBondContact O-N 3.2Å; I51-F62 HydrophobicContact CD1-CD1 3.58Å; I51-F62 HydrophobicContact CD1-CE1 3.86Å; I51-F62 HydrophobicContact CD1-CG 4.21Å; I51-F62 HydrophobicContact CG2-CD1 4.31Å; I51-F62 HydrophobicContact CG2-CE1 3.57Å; I51-F62 HydrophobicContact CG2-CE2 4.33Å; I51-F62 HydrophobicContact CG2-CZ 3.59Å; I51-W154 HydrophobicContact CD1-CZ3 4.16Å; I51-T158 HydrophobicContact CD1-CG2 4.16Å; I51-T158 HydrophobicContact CG1-CG2 4.06Å; I51-T158 HydrophobicContact CG2-CG2 4.19Å; I51-L168 HydrophobicContact CG2-CD1 3.59Å | ||
| 52 | N | 95.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | trans | -89.6 | 113.8 | 172.2 | -170.4 | 18 | 0 | 0 | 0 | 110.3 | W50 L162 G166 Y167 L168 | W50-N52 PolarHBondContact O-N 3.32Å; N52-L162 HydrophobicContact CB-CD2 4.05Å; N52-L162 WeakPolarHBondContact O-CD2 3.37Å; N52-G166 PolarHBondContact ND2-O 3.5Å; N52-Y167 CarbonylContact O-C 3.59Å; N52-Y167 VanDerWaalsContact O-CA 3.31Å; N52-Y167 WeakPolarHBondContact O-CA 3.43Å; N52-L168 PolarHBondContact O-N 3.17Å | ||
| 53 | S | 94.6 | Very high | 94.3 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -131.6 | 139.9 | -179 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | H55 G171 | S53-H55 VanDerWaalsContact C-N 3.29Å; S53-H55 VanDerWaalsContact OG-CB 3.28Å; S53-H55 WeakPolarHBondContact OG-CB 3.38Å; S53-H55 PolarHBondContact OG-N 2.83Å; S53-H55 VanDerWaalsContact OG-N 3.09Å; S53-G171 WeakPolarHBondContact OG-CA 3.31Å |
| 54 | R | 92.7 | Very high | 94.3 | Very high | 159 Ų | 159 | 60.4 Ų | 60.4 | 60% | 0.6 | 31% | 0.313 | S | S | * | . | trans | -84.4 | -3.7 | 170.8 | -69.4 | -171.2 | 179.1 | -179.2 | 0.9 | 113.3 | Y167 L168 | R54-Y167 HydrophobicContact CB-CD2 4.47Å; R54-Y167 VanDerWaalsContact CD-CD2 3.45Å; R54-Y167 HydrophobicContact CG-CD2 3.59Å; R54-Y167 HydrophobicContact CG-CE2 4.09Å; R54-Y167 HydrophobicContact CG-CG 4.15Å; R54-Y167 VanDerWaalsContact CZ-OH 3.32Å; R54-Y167 VanDerWaalsContact NE-CD2 3.35Å; R54-Y167 PolarHBondContact NH1-OH 2.94Å; R54-Y167 PolarHBondContact NH2-OH 3.33Å; R54-L168 PolarHBondContact N-O 2.99Å | ||
| 55 | H | 89.5 | Confident | 94.4 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | trans | -62.6 | 129.7 | -178.8 | -170.4 | -90.9 | 0 | 0 | 0 | 111.2 | S53 A57 G58 | S53-H55 VanDerWaalsContact C-N 3.29Å; S53-H55 VanDerWaalsContact OG-CB 3.28Å; S53-H55 WeakPolarHBondContact OG-CB 3.38Å; S53-H55 PolarHBondContact OG-N 2.83Å; S53-H55 VanDerWaalsContact OG-N 3.09Å; H55-A57 WeakPolarHBondContact ND1-CB 3.43Å; H55-A57 PolarHBondContact ND1-N 2.74Å; H55-A57 VanDerWaalsContact ND1-N 3.19Å; H55-A57 PolarHBondContact O-N 2.79Å; H55-A57 VanDerWaalsContact O-N 3.11Å; H55-G58 PolarHBondContact O-N 3.03Å | ||
| 56 | P | 89.8 | Confident | 94.5 | Very high | 131 Ų | 131 | 56.7 Ų | 56.7 | 85% | 0.851 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.4 | -175.1 | -27.6 | 35.1 | 0 | 0 | 0 | 115.1 | G58 | P56-G58 PolarHBondContact O-N 2.85Š|
| 57 | A | 89.6 | Confident | 94.6 | Very high | 48 Ų | 48 | 54 Ų | 54 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -0.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H55 P61 | H55-A57 WeakPolarHBondContact ND1-CB 3.43Å; H55-A57 PolarHBondContact ND1-N 2.74Å; H55-A57 VanDerWaalsContact ND1-N 3.19Å; H55-A57 PolarHBondContact O-N 2.79Å; H55-A57 VanDerWaalsContact O-N 3.11Å; A57-P61 HydrophobicContact CB-CG 3.61Å |
| 58 | G | 91.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -137.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H55 P56 P61 | H55-G58 PolarHBondContact O-N 3.03Å; P56-G58 PolarHBondContact O-N 2.85Å; G58-P61 WeakPolarHBondContact O-CD 3.5Å |
| 59 | T | 92.6 | Very high | 94.7 | Very high | 40 Ų | 40 | 54 Ų | 54 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.5 | -175.2 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | L48 F62 | L48-T59 HydrophobicContact CB-CG2 4.5Å; T59-F62 WeakPolarHBondContact O-CB 3.46Å; T59-F62 WeakPolarHBondContact O-CD2 3.27Å; T59-F62 PolarHBondContact O-N 2.96Å |
| 60 | K | 93.8 | Very high | 94.9 | Very high | 128 Ų | 128 | 47.5 Ų | 47.5 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -59.6 | -42.2 | -175.6 | -60.8 | 169.5 | -172.8 | 160.4 | 0 | 113.9 | L45 F62 L63 | L45-K60 HydrophobicContact CD2-CB 4.43Å; L45-K60 HydrophobicContact CD2-CG 4.18Å; K60-F62 PolarHBondContact O-N 3.49Å; K60-L63 WeakPolarHBondContact O-CB 3.47Å; K60-L63 VanDerWaalsContact O-CG 3.29Å; K60-L63 WeakPolarHBondContact O-CG 3.1Å; K60-L63 PolarHBondContact O-N 3.15Å; K60-L63 VanDerWaalsContact O-N 3.11Å |
| 61 | P | 95.3 | Very high | 95 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -62.2 | -25.2 | -179.8 | -25.4 | 37.4 | 0 | 0 | 0 | 113.9 | A57 G58 L63 K64 E172 | A57-P61 HydrophobicContact CB-CG 3.61Å; G58-P61 WeakPolarHBondContact O-CD 3.5Å; P61-L63 PolarHBondContact O-N 3.14Å; P61-K64 VanDerWaalsContact O-CB 3.3Å; P61-K64 WeakPolarHBondContact O-CB 3.19Å; P61-K64 WeakPolarHBondContact O-CG 3.3Å; P61-K64 PolarHBondContact O-N 3.18Å; P61-E172 HydrophobicContact CB-CG 4.19Å; P61-E172 WeakPolarHBondContact CB-OE1 3.29Å; P61-E172 WeakPolarHBondContact CB-OE2 3.19Å |
| 62 | F | 97 | Very high | 95 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.4 | -15.3 | 176.3 | -66.6 | -104.2 | 0 | 0 | 0 | 113.4 | L48 I51 T59 K60 K64 L65 L168 G171 E172 I175 | L48-F62 HydrophobicContact CD1-CB 3.83Å; L48-F62 HydrophobicContact CD2-CB 4.03Å; L48-F62 HydrophobicContact CG-CB 4.5Å; I51-F62 HydrophobicContact CD1-CD1 3.58Å; I51-F62 HydrophobicContact CD1-CE1 3.86Å; I51-F62 HydrophobicContact CD1-CG 4.21Å; I51-F62 HydrophobicContact CG2-CD1 4.31Å; I51-F62 HydrophobicContact CG2-CE1 3.57Å; I51-F62 HydrophobicContact CG2-CE2 4.33Å; I51-F62 HydrophobicContact CG2-CZ 3.59Å; T59-F62 WeakPolarHBondContact O-CB 3.46Å; T59-F62 WeakPolarHBondContact O-CD2 3.27Å; T59-F62 PolarHBondContact O-N 2.96Å; K60-F62 PolarHBondContact O-N 3.49Å; F62-K64 PolarHBondContact O-N 3.21Å; F62-L65 HydrophobicContact CD1-CD1 4.17Å; F62-L65 WeakPolarHBondContact O-CB 3Å; F62-L65 PolarHBondContact O-N 2.05Å; F62-L168 HydrophobicContact CE1-CD1 3.5Å; F62-L168 HydrophobicContact CZ-CD1 3.44Å; F62-L168 VanDerWaalsContact CZ-CD1 3.44Å; F62-G171 VanDerWaalsContact CZ-C 3.5Å; F62-E172 HydrophobicContact CB-CB 4.48Å; F62-E172 HydrophobicContact CD1-CB 3.8Å; F62-E172 HydrophobicContact CD2-CB 4.25Å; F62-E172 HydrophobicContact CE1-CB 4.02Å; F62-E172 HydrophobicContact CE2-CB 4.44Å; F62-E172 HydrophobicContact CG-CB 3.93Å; F62-E172 HydrophobicContact CZ-CB 4.32Å; F62-I175 HydrophobicContact CD1-CD1 3.95Å; F62-I175 HydrophobicContact CE1-CD1 3.46Å; F62-I175 VanDerWaalsContact CE1-CD1 3.46Å |
| 63 | L | 97.1 | Very high | 95.1 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -57.6 | -26.2 | 170 | -66.8 | 176 | 0 | 0 | 0 | 112.4 | L12 C41 L45 L48 K60 P61 L65 M66 I70 | L12-L63 HydrophobicContact CB-CD1 4.46Å; L12-L63 HydrophobicContact CD1-CB 3.92Å; C41-L63 HydrophobicContact CB-CD1 3.63Å; C41-L63 HydrophobicContact CB-CD2 3.88Å; C41-L63 HydrophobicContact CB-CG 4.44Å; L45-L63 HydrophobicContact CD2-CD1 3.88Å; L45-L63 HydrophobicContact CD2-CD2 4.04Å; L45-L63 HydrophobicContact CD2-CG 3.88Å; L45-L63 HydrophobicContact CG-CD1 4.22Å; L45-L63 HydrophobicContact CG-CD2 4.2Å; L45-L63 HydrophobicContact CG-CG 4.46Å; L48-L63 HydrophobicContact CD1-CD2 4.18Å; K60-L63 WeakPolarHBondContact O-CB 3.47Å; K60-L63 VanDerWaalsContact O-CG 3.29Å; K60-L63 WeakPolarHBondContact O-CG 3.1Å; K60-L63 PolarHBondContact O-N 3.15Å; K60-L63 VanDerWaalsContact O-N 3.11Å; P61-L63 PolarHBondContact O-N 3.14Å; L63-L65 PolarHBondContact O-N 3.45Å; L63-M66 HydrophobicContact CD2-SD 4.45Å; L63-M66 PolarHBondContact O-N 2.88Å; L63-M66 VanDerWaalsContact O-N 3.08Å; L63-I70 HydrophobicContact CB-CD1 4.27Å; L63-I70 HydrophobicContact CD2-CD1 3.91Å |
| 64 | K | 97.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -56.2 | -37.4 | 171.4 | -63 | 177.3 | -177.1 | 176.1 | 0 | 111.7 | P61 F62 M66 L67 V80 D82 N135 L138 F140 E172 | P61-K64 VanDerWaalsContact O-CB 3.3Å; P61-K64 WeakPolarHBondContact O-CB 3.19Å; P61-K64 WeakPolarHBondContact O-CG 3.3Å; P61-K64 PolarHBondContact O-N 3.18Å; F62-K64 PolarHBondContact O-N 3.21Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.88Å; K64-L67 WeakPolarHBondContact O-CD1 3.37Å; K64-L67 VanDerWaalsContact O-CG 3.24Å; K64-L67 WeakPolarHBondContact O-CG 3.35Å; K64-V80 HydrophobicContact CD-CG1 4.42Å; K64-V80 HydrophobicContact CG-CG1 3.98Å; K64-D82 WeakPolarHBondContact CE-OD1 3.01Å; K64-D82 IonicContact NZ-OD1 3.37Å; K64-D82 PolarHBondContact NZ-OD1 3.29Å; K64-D82 IonicContact NZ-OD2 3.34Å; K64-D82 PolarHBondContact NZ-OD2 3.39Å; K64-N135 PolarHBondContact NZ-ND2 3.49Å; K64-N135 PolarHBondContact NZ-O 3.21Å; K64-N135 PolarHBondContact NZ-OD1 2.77Å; K64-L138 HydrophobicContact CB-CD1 4.47Å; K64-L138 HydrophobicContact CD-CD1 4.19Å; K64-F140 WeakPolarHBondContact O-CE2 3.37Å; K64-E172 HydrophobicContact CD-CG 4.39Å; K64-E172 IonicContact NZ-OE1 2.65Å; K64-E172 PolarHBondContact NZ-OE1 3.27Å |
| 65 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -75.5 | -20.9 | 179 | -52.8 | -177.4 | 0 | 0 | 0 | 112.7 | F62 L63 W150 W154 E172 I175 L176 | F62-L65 HydrophobicContact CD1-CD1 4.17Å; F62-L65 WeakPolarHBondContact O-CB 3Å; F62-L65 PolarHBondContact O-N 2.05Å; L63-L65 PolarHBondContact O-N 3.45Å; L65-W150 HydrophobicContact CB-CZ2 4.49Å; L65-W150 HydrophobicContact CD2-CH2 4.4Å; L65-W150 HydrophobicContact CD2-CZ2 3.95Å; L65-W150 PolarHBondContact O-NE1 3.47Å; L65-W154 HydrophobicContact CB-CD2 4Å; L65-W154 HydrophobicContact CB-CE3 4.48Å; L65-W154 HydrophobicContact CB-CG 4.08Å; L65-W154 HydrophobicContact CD1-CB 4.29Å; L65-W154 HydrophobicContact CD1-CD2 4.05Å; L65-W154 HydrophobicContact CD1-CE3 3.86Å; L65-W154 HydrophobicContact CD1-CG 4.24Å; L65-W154 PolarHBondContact O-NE1 2.82Å; L65-E172 HydrophobicContact CD1-CB 3.98Å; L65-E172 HydrophobicContact CG-CB 4.15Å; L65-I175 HydrophobicContact CD1-CB 4.16Å; L65-I175 HydrophobicContact CD1-CD1 3.82Å; L65-I175 HydrophobicContact CD1-CG2 3.98Å; L65-L176 HydrophobicContact CD2-CD1 4.06Å; L65-L176 HydrophobicContact CD2-CD2 3.92Å; L65-L176 HydrophobicContact CD2-CG 3.69Å |
| 66 | M | 97.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -95 | 9.7 | -176.8 | -58.7 | -173.8 | 78.7 | 0 | 0 | 113.2 | Y44 L48 L63 K64 T68 E69 I70 W154 | Y44-M66 HydrophobicContact CD1-CE 3.56Å; Y44-M66 HydrophobicContact CD1-SD 4.46Å; Y44-M66 HydrophobicContact CE1-CE 4.48Å; Y44-M66 HydrophobicContact CG-CE 4.21Å; L48-M66 HydrophobicContact CD1-SD 3.67Å; L48-M66 HydrophobicContact CD2-SD 3.78Å; L48-M66 HydrophobicContact CG-SD 3.78Å; L63-M66 HydrophobicContact CD2-SD 4.45Å; L63-M66 PolarHBondContact O-N 2.88Å; L63-M66 VanDerWaalsContact O-N 3.08Å; K64-M66 VanDerWaalsContact C-N 3.31Å; K64-M66 PolarHBondContact O-N 2.88Å; M66-T68 PolarHBondContact O-N 3.12Å; M66-E69 WeakPolarHBondContact CE-OE2 3.2Å; M66-E69 WeakPolarHBondContact O-CB 2.99Å; M66-E69 PolarHBondContact O-N 2.96Å; M66-I70 HydrophobicContact CB-CD1 3.69Å; M66-I70 HydrophobicContact CB-CG1 4.12Å; M66-I70 VanDerWaalsContact O-CG1 3.32Å; M66-I70 WeakPolarHBondContact O-CG1 3.5Å; M66-I70 PolarHBondContact O-N 3.14Å; M66-W154 HydrophobicContact CG-CZ2 4Å |
| 67 | L | 97.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -30.2 | -175 | -73 | 174.3 | 0 | 0 | 0 | 113.8 | L12 K64 E69 L71 V78 V80 F140 L142 | L12-L67 HydrophobicContact CD1-CD2 3.82Å; K64-L67 WeakPolarHBondContact O-CD1 3.37Å; K64-L67 VanDerWaalsContact O-CG 3.24Å; K64-L67 WeakPolarHBondContact O-CG 3.35Å; L67-E69 PolarHBondContact O-N 3.01Å; L67-L71 HydrophobicContact CB-CD1 4.42Å; L67-L71 HydrophobicContact CD2-CD1 3.89Å; L67-L71 HydrophobicContact CD2-CG 4.07Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 PolarHBondContact O-N 3.04Å; L67-V78 HydrophobicContact CD1-CG1 4.29Å; L67-V80 HydrophobicContact CD1-CG2 3.38Å; L67-F140 HydrophobicContact CB-CD2 4.42Å; L67-F140 HydrophobicContact CD1-CD2 3.79Å; L67-F140 HydrophobicContact CD1-CE2 4.11Å; L67-L142 HydrophobicContact CB-CD2 4.14Å |
| 68 | T | 97 | Very high | 96.7 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -31.1 | 173.8 | 47.6 | 0 | 0 | 0 | 0 | 113 | M66 I145 R146 W150 N151 | M66-T68 PolarHBondContact O-N 3.12Å; T68-I145 HydrophobicContact CG2-CB 4.44Å; T68-I145 HydrophobicContact CG2-CG2 3.67Å; T68-R146 HydrophobicContact CG2-CG 3.9Å; T68-W150 HydrophobicContact CG2-CG 4.25Å; T68-N151 PolarHBondContact OG1-OD1 3.35Å |
| 69 | E | 96.2 | Very high | 97 | Very high | 81 Ų | 81 | 40.6 Ų | 40.6 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -91.1 | -39.4 | 178.1 | -60.1 | 179.4 | 80.6 | 0 | 0 | 112.1 | Y44 M66 L67 N151 | Y44-E69 HydrophobicContact CE1-CB 4.25Å; Y44-E69 PolarHBondContact OH-O 3.44Å; M66-E69 WeakPolarHBondContact CE-OE2 3.2Å; M66-E69 WeakPolarHBondContact O-CB 2.99Å; M66-E69 PolarHBondContact O-N 2.96Å; L67-E69 PolarHBondContact O-N 3.01Å; E69-N151 WeakPolarHBondContact CG-ND2 3.43Å |
| 70 | I | 97.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.9 | -43.6 | -173.9 | -63.4 | 167.4 | 0 | 0 | 0 | 111.5 | L12 Y39 Y44 L63 M66 | L12-I70 HydrophobicContact CD1-CD1 4.16Å; L12-I70 HydrophobicContact CD2-CG2 3.6Å; Y39-I70 HydrophobicContact CD1-CG2 4.22Å; Y39-I70 HydrophobicContact CG-CG2 4.1Å; Y44-I70 HydrophobicContact CD1-CG1 4.26Å; Y44-I70 HydrophobicContact CD2-CD1 4.16Å; Y44-I70 HydrophobicContact CD2-CG1 3.64Å; Y44-I70 HydrophobicContact CE1-CG1 4.18Å; Y44-I70 HydrophobicContact CE2-CB 4.31Å; Y44-I70 HydrophobicContact CE2-CG1 3.6Å; Y44-I70 HydrophobicContact CE2-CG2 4.39Å; Y44-I70 HydrophobicContact CG-CD1 4.36Å; Y44-I70 HydrophobicContact CG-CG1 4Å; L63-I70 HydrophobicContact CB-CD1 4.27Å; L63-I70 HydrophobicContact CD2-CD1 3.91Å; M66-I70 HydrophobicContact CB-CD1 3.69Å; M66-I70 HydrophobicContact CB-CG1 4.12Å; M66-I70 VanDerWaalsContact O-CG1 3.32Å; M66-I70 WeakPolarHBondContact O-CG1 3.5Å; M66-I70 PolarHBondContact O-N 3.14Å |
| 71 | L | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -88.5 | 137.8 | -172.8 | -65.9 | -177.6 | 0 | 0 | 0 | 111.7 | H10 Y39 L67 I75 V78 L142 R146 | H10-L71 HydrophobicContact CB-CD2 4.03Å; Y39-L71 HydrophobicContact CD2-CD2 4.17Å; Y39-L71 HydrophobicContact CE1-CD2 4.26Å; Y39-L71 HydrophobicContact CE2-CD2 3.78Å; L67-L71 HydrophobicContact CB-CD1 4.42Å; L67-L71 HydrophobicContact CD2-CD1 3.89Å; L67-L71 HydrophobicContact CD2-CG 4.07Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 PolarHBondContact O-N 3.04Å; L71-I75 HydrophobicContact CB-CD1 4.19Å; L71-I75 HydrophobicContact CD2-CD1 4.39Å; L71-V78 HydrophobicContact CD1-CB 4.38Å; L71-V78 HydrophobicContact CD1-CG1 4.23Å; L71-V78 HydrophobicContact CD1-CG2 4.26Å; L71-L142 HydrophobicContact CB-CD1 4.37Å; L71-L142 HydrophobicContact CD1-CD1 3.78Å; L71-R146 PolarHBondContact O-NH2 2.97Å; L71-R146 VanDerWaalsContact O-NH2 3.1Å |
| 72 | P | 97.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 38 Ų | 38 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | trans | -48.3 | 143.9 | 175.7 | -32.2 | 35.8 | 0 | 0 | 0 | 113.9 | Y39 N74 I75 R146 | Y39-P72 HydrophobicContact CE1-CG 4.18Å; Y39-P72 WeakPolarHBondContact OH-CD 3.5Å; P72-N74 WeakPolarHBondContact CB-OD1 3.39Å; P72-N74 PolarHBondContact O-N 3.49Å; P72-N74 VanDerWaalsContact O-N 3.14Å; P72-I75 HydrophobicContact CB-CD1 4.34Å; P72-I75 HydrophobicContact CB-CG1 4.38Å; P72-I75 HydrophobicContact CG-CD1 4.28Å; P72-I75 WeakPolarHBondContact O-CB 3.5Å; P72-I75 PolarHBondContact O-N 2.92Å; P72-R146 PolarHBondContact O-NH2 3.49Å | ||
| 73 | T | 96.6 | Very high | 97.3 | Very high | 126 Ų | 126 | 45.4 Ų | 45.4 | 77% | 0.773 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.4 | -175.4 | 52 | 0 | 0 | 0 | 0 | 113.9 | I75 | T73-I75 VanDerWaalsContact C-N 3.3Š|
| 74 | N | 96.8 | Very high | 97.2 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.2 | 174.8 | 67.1 | -46.6 | 0 | 0 | 0 | 113.9 | P72 S76 | P72-N74 WeakPolarHBondContact CB-OD1 3.39Å; P72-N74 PolarHBondContact O-N 3.49Å; P72-N74 VanDerWaalsContact O-N 3.14Å; N74-S76 PolarHBondContact O-N 3.08Å |
| 75 | I | 97.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | trans | -84.8 | 111.2 | 173.9 | -59 | 176.5 | 0 | 0 | 0 | 108.3 | H10 L71 P72 T73 L142 R146 | H10-I75 WeakPolarHBondContact CE1-CD1 3.43Å; L71-I75 HydrophobicContact CB-CD1 4.19Å; L71-I75 HydrophobicContact CD2-CD1 4.39Å; P72-I75 HydrophobicContact CB-CD1 4.34Å; P72-I75 HydrophobicContact CB-CG1 4.38Å; P72-I75 HydrophobicContact CG-CD1 4.28Å; P72-I75 WeakPolarHBondContact O-CB 3.5Å; P72-I75 PolarHBondContact O-N 2.92Å; T73-I75 VanDerWaalsContact C-N 3.3Å; I75-L142 HydrophobicContact CB-CD1 4.5Å; I75-L142 HydrophobicContact CG2-CD1 3.99Å; I75-R146 PolarHBondContact O-NH1 2.86Å; I75-R146 PolarHBondContact O-NH2 3.04Å | ||
| 76 | S | 97.9 | Very high | 96.9 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | trans | -87 | -33.4 | -175 | 55.2 | 0 | 0 | 0 | 0 | 114 | N74 D141 L142 S143 | N74-S76 PolarHBondContact O-N 3.08Å; S76-D141 CarbonylContact O-C 3.37Å; S76-L142 CarbonylContact O-C 3.26Å; S76-L142 WeakPolarHBondContact O-CA 3.4Å; S76-L142 WeakPolarHBondContact O-CB 3.24Å; S76-L142 PolarHBondContact O-N 3.37Å; S76-S143 PolarHBondContact O-N 3.43Å | ||
| 77 | K | 98.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 27% | 0.265 | 36% | 0.357 | S | S | . | . | trans | -141.2 | 147.3 | -175.1 | -71.6 | 168.2 | 179.6 | 172.9 | 0 | 109.9 | W95 F98 F140 D141 | K77-W95 HydrophobicContact CB-CH2 3.89Å; K77-W95 HydrophobicContact CB-CZ2 4.26Å; K77-F98 HydrophobicContact CB-CD1 4.39Å; K77-F98 HydrophobicContact CB-CD2 4.23Å; K77-F98 HydrophobicContact CB-CE1 4.09Å; K77-F98 HydrophobicContact CB-CE2 3.93Å; K77-F98 HydrophobicContact CB-CG 4.47Å; K77-F98 HydrophobicContact CB-CZ 3.85Å; K77-F98 HydrophobicContact CD-CB 3.86Å; K77-F98 HydrophobicContact CD-CD1 3.82Å; K77-F98 HydrophobicContact CD-CD2 4.05Å; K77-F98 HydrophobicContact CD-CE1 4.34Å; K77-F98 HydrophobicContact CD-CG 3.66Å; K77-F98 HydrophobicContact CG-CD1 3.94Å; K77-F98 HydrophobicContact CG-CD2 4.45Å; K77-F98 HydrophobicContact CG-CE1 3.97Å; K77-F98 HydrophobicContact CG-CE2 4.48Å; K77-F98 HydrophobicContact CG-CG 4.19Å; K77-F98 HydrophobicContact CG-CZ 4.25Å; K77-F140 CarbonylContact C-O 3.51Å; K77-F140 VanDerWaalsContact CA-O 3.29Å; K77-F140 WeakPolarHBondContact CA-O 3.47Å; K77-D141 VanDerWaalsContact CE-OD2 3.28Å; K77-D141 WeakPolarHBondContact CE-OD2 3.13Å; K77-D141 HydrophobicContact CG-CB 4.35Å | ||
| 78 | V | 98.5 | Very high | 96.4 | Very high | 17 Ų | 17 | 69.1 Ų | 69.1 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 139.6 | 176.7 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | L67 L71 V80 F98 F140 L142 | L67-V78 HydrophobicContact CD1-CG1 4.29Å; L71-V78 HydrophobicContact CD1-CB 4.38Å; L71-V78 HydrophobicContact CD1-CG1 4.23Å; L71-V78 HydrophobicContact CD1-CG2 4.26Å; V78-V80 HydrophobicContact CG1-CG2 4.24Å; V78-F98 WeakPolarHBondContact O-CZ 3.13Å; V78-F140 HydrophobicContact CG1-CB 3.83Å; V78-F140 PolarHBondContact N-O 2.9Å; V78-F140 PolarHBondContact O-N 2.93Å; V78-L142 HydrophobicContact CB-CD1 4.29Å; V78-L142 HydrophobicContact CG1-CD1 3.82Å; V78-L142 HydrophobicContact CG1-CD2 4.22Å; V78-L142 HydrophobicContact CG1-CG 3.99Å |
| 79 | I | 98.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 71.4 Ų | 71.4 | 15% | 0.154 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 125.2 | 163.4 | -61.2 | 171.2 | 0 | 0 | 0 | 107.1 | L81 I91 L94 W95 F98 L138 L139 | I79-L81 HydrophobicContact CG2-CD2 3.74Å; I79-L81 HydrophobicContact CG2-CG 4.02Å; I79-I91 HydrophobicContact CD1-CD1 4.15Å; I79-I91 HydrophobicContact CD1-CG1 3.93Å; I79-L94 HydrophobicContact CD1-CB 4.16Å; I79-L94 HydrophobicContact CD1-CD2 4.1Å; I79-L94 HydrophobicContact CD1-CG 3.93Å; I79-L94 HydrophobicContact CG2-CD2 3.95Å; I79-W95 HydrophobicContact CD1-CB 4.13Å; I79-W95 HydrophobicContact CD1-CE3 3.91Å; I79-W95 HydrophobicContact CG1-CE3 4.04Å; I79-F98 HydrophobicContact CG1-CE2 4.12Å; I79-L138 CarbonylContact C-O 3.57Å; I79-L138 VanDerWaalsContact CA-O 3.29Å; I79-L138 WeakPolarHBondContact CA-O 3.42Å; I79-L139 HydrophobicContact CG1-CD1 4.29Å; I79-L139 HydrophobicContact CG1-CG 4.2Å; I79-L139 HydrophobicContact CG2-CD1 4.49Å |
| 80 | V | 98.2 | Very high | 95.9 | Very high | 19 Ų | 19 | 72.1 Ų | 72.1 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.7 | 174.2 | -165.7 | 0 | 0 | 0 | 0 | 107.7 | K64 L67 V78 V137 L138 | K64-V80 HydrophobicContact CD-CG1 4.42Å; K64-V80 HydrophobicContact CG-CG1 3.98Å; L67-V80 HydrophobicContact CD1-CG2 3.38Å; V78-V80 HydrophobicContact CG1-CG2 4.24Å; V80-V137 WeakPolarHBondContact O-CA 3.46Å; V80-L138 HydrophobicContact CB-CB 3.95Å; V80-L138 HydrophobicContact CB-CD1 4.35Å; V80-L138 HydrophobicContact CG2-CB 4.08Å; V80-L138 PolarHBondContact N-O 2.85Å; V80-L138 PolarHBondContact O-N 2.83Å |
| 81 | L | 97.6 | Very high | 95.8 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.4 | 179.4 | -60.5 | 177.2 | 0 | 0 | 0 | 108.8 | I79 I85 L87 G136 V137 | I79-L81 HydrophobicContact CG2-CD2 3.74Å; I79-L81 HydrophobicContact CG2-CG 4.02Å; L81-I85 HydrophobicContact CB-CD1 4.13Å; L81-I85 HydrophobicContact CD2-CD1 4.12Å; L81-L87 HydrophobicContact CD1-CD1 4.38Å; L81-L87 HydrophobicContact CD1-CD2 4.28Å; L81-G136 CarbonylContact C-O 3.5Å; L81-G136 WeakPolarHBondContact CA-O 3.38Å; L81-V137 HydrophobicContact CD2-CB 4.41Å; L81-V137 HydrophobicContact CD2-CG1 4.06Å; L81-V137 HydrophobicContact CD2-CG2 3.87Å |
| 82 | D | 96 | Very high | 95.6 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | trans | -64.2 | 155.9 | 163.7 | -81.2 | -16 | 0 | 0 | 0 | 111.4 | K64 D84 I85 G136 | K64-D82 WeakPolarHBondContact CE-OD1 3.01Å; K64-D82 IonicContact NZ-OD1 3.37Å; K64-D82 PolarHBondContact NZ-OD1 3.29Å; K64-D82 IonicContact NZ-OD2 3.34Å; K64-D82 PolarHBondContact NZ-OD2 3.39Å; D82-D84 WeakPolarHBondContact CB-OD1 3.03Å; D82-D84 PolarHBondContact O-N 3.21Å; D82-I85 HydrophobicContact CB-CD1 4.18Å; D82-I85 HydrophobicContact CB-CG1 4.2Å; D82-G136 PolarHBondContact N-O 3.02Å; D82-G136 VanDerWaalsContact OD2-CA 3.26Å; D82-G136 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 83 | T | 93.3 | Very high | 95.5 | Very high | 155 Ų | 155 | 77.9 Ų | 77.9 | 95% | 0.951 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.1 | -174.5 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 84 | D | 94.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 72 Ų | 72 | 73% | 0.733 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 21.7 | 179.4 | 57.2 | -6.6 | 0 | 0 | 0 | 112.8 | D82 | D82-D84 WeakPolarHBondContact CB-OD1 3.03Å; D82-D84 PolarHBondContact O-N 3.21Å |
| 85 | I | 94.7 | Very high | 95.6 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | trans | -91.9 | 141.9 | 177.5 | -64.9 | -175.4 | 0 | 0 | 0 | 112.1 | L81 D82 L87 G136 V137 | L81-I85 HydrophobicContact CB-CD1 4.13Å; L81-I85 HydrophobicContact CD2-CD1 4.12Å; D82-I85 HydrophobicContact CB-CD1 4.18Å; D82-I85 HydrophobicContact CB-CG1 4.2Å; I85-L87 HydrophobicContact CG2-CD2 4.15Å; I85-G136 WeakPolarHBondContact CD1-O 3.42Å; I85-V137 HydrophobicContact CD1-CG2 3.53Å | ||
| 86 | L | 94.7 | Very high | 95.6 | Very high | 158 Ų | 158 | 72.5 Ų | 72.5 | 83% | 0.827 | 38% | 0.384 | S | S | * | . | trans | -110.7 | 122.5 | 164.5 | -178.7 | 67.8 | 0 | 0 | 0 | 109.7 | ||||
| 87 | L | 93.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 70.9 Ų | 70.9 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | trans | -84 | 124.9 | 173.9 | -62.7 | 177.3 | 0 | 0 | 0 | 110.2 | L81 I85 I91 | L81-L87 HydrophobicContact CD1-CD1 4.38Å; L81-L87 HydrophobicContact CD1-CD2 4.28Å; I85-L87 HydrophobicContact CG2-CD2 4.15Å; L87-I91 HydrophobicContact CD1-CD1 4.3Å; L87-I91 HydrophobicContact CD2-CD1 3.95Å | ||
| 88 | N | 90.6 | Very high | 95.6 | Very high | 102 Ų | 102 | 68.3 Ų | 68.3 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | trans | -110.6 | 1.8 | -179.7 | -160.6 | 41.9 | 0 | 0 | 0 | 114.2 | W211 | N88-W211 HydrophobicContact CB-CH2 3.92Å; N88-W211 HydrophobicContact CB-CZ3 4.02Å; N88-W211 WeakPolarHBondContact ND2-CZ3 3.48Å | ||
| 89 | T | 90.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -145.2 | 173.2 | 174.1 | -168.7 | 0 | 0 | 0 | 0 | 110.1 | I91 E93 W194 | T89-I91 PolarHBondContact O-N 3.36Å; T89-E93 PolarHBondContact OG1-OE1 3.36Å; T89-W194 HydrophobicContact CG2-CE3 4.45Å; T89-W194 HydrophobicContact CG2-CH2 3.25Å; T89-W194 HydrophobicContact CG2-CZ2 4.13Å; T89-W194 HydrophobicContact CG2-CZ3 3.45Å; T89-W194 VanDerWaalsContact CG2-CZ3 3.45Å |
| 90 | D | 92.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -66.5 | 122.9 | 176.5 | -166.7 | -24.9 | 0 | 0 | 0 | 110.4 | I92 E93 | D90-I92 HydrophobicContact CB-CG2 3.99Å; D90-I92 PolarHBondContact O-N 3.17Å; D90-I92 WeakPolarHBondContact OD1-CG2 3.33Å; D90-I92 PolarHBondContact OD1-N 3.29Å; D90-E93 PolarHBondContact O-N 3.4Å | ||
| 91 | I | 94.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 78.3 Ų | 78.3 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.4 | -17.4 | -178.9 | -163.1 | 64.5 | 0 | 0 | 0 | 112.7 | I79 L87 T89 E93 L94 W95 | I79-I91 HydrophobicContact CD1-CD1 4.15Å; I79-I91 HydrophobicContact CD1-CG1 3.93Å; L87-I91 HydrophobicContact CD1-CD1 4.3Å; L87-I91 HydrophobicContact CD2-CD1 3.95Å; T89-I91 PolarHBondContact O-N 3.36Å; I91-E93 PolarHBondContact O-N 3.15Å; I91-L94 HydrophobicContact CD1-CB 4.06Å; I91-L94 HydrophobicContact CD1-CD2 3.85Å; I91-L94 WeakPolarHBondContact O-CB 3.47Å; I91-L94 PolarHBondContact O-N 3.01Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I91-W95 PolarHBondContact O-N 3.02Å |
| 92 | I | 94.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 77.6 Ų | 77.6 | 23% | 0.226 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.7 | -32.9 | 174 | -163.5 | 62.7 | 0 | 0 | 0 | 112 | Y5 D90 L94 W95 N96 | Y5-I92 HydrophobicContact CD2-CD1 4.04Å; Y5-I92 HydrophobicContact CD2-CG1 4.45Å; Y5-I92 HydrophobicContact CE2-CD1 4.23Å; Y5-I92 HydrophobicContact CE2-CG1 4.47Å; Y5-I92 HydrophobicContact CG-CD1 4.42Å; D90-I92 HydrophobicContact CB-CG2 3.99Å; D90-I92 PolarHBondContact O-N 3.17Å; D90-I92 WeakPolarHBondContact OD1-CG2 3.33Å; D90-I92 PolarHBondContact OD1-N 3.29Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 3.21Å; I92-W95 HydrophobicContact CD1-CB 4.29Å; I92-W95 HydrophobicContact CD1-CG 4.4Å; I92-W95 WeakPolarHBondContact O-CB 3.36Å; I92-W95 PolarHBondContact O-N 2.88Å; I92-N96 PolarHBondContact O-N 3.03Å; I92-N96 PolarHBondContact O-ND2 2.95Å; I92-N96 PolarHBondContact O-OD1 2.71Å |
| 93 | E | 95.7 | Very high | 95.6 | Very high | 104 Ų | 104 | 84 Ų | 84 | 49% | 0.486 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.6 | -65.1 | 178.3 | -148.1 | 0 | 0 | 110.3 | T89 D90 I91 N96 H97 W194 | T89-E93 PolarHBondContact OG1-OE1 3.36Å; D90-E93 PolarHBondContact O-N 3.4Å; I91-E93 PolarHBondContact O-N 3.15Å; E93-N96 PolarHBondContact O-N 3.49Å; E93-H97 PolarHBondContact O-CD2 3.27Å; E93-H97 VanDerWaalsContact O-CD2 3.3Å; E93-W194 HydrophobicContact CB-CH2 3.76Å; E93-W194 HydrophobicContact CB-CZ2 3.56Å |
| 94 | L | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 172.8 | -174.5 | 52.4 | 0 | 0 | 0 | 111.1 | I79 I91 I92 N96 H97 V137 L139 I190 W194 | I79-L94 HydrophobicContact CD1-CB 4.16Å; I79-L94 HydrophobicContact CD1-CD2 4.1Å; I79-L94 HydrophobicContact CD1-CG 3.93Å; I79-L94 HydrophobicContact CG2-CD2 3.95Å; I91-L94 HydrophobicContact CD1-CB 4.06Å; I91-L94 HydrophobicContact CD1-CD2 3.85Å; I91-L94 WeakPolarHBondContact O-CB 3.47Å; I91-L94 PolarHBondContact O-N 3.01Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I92-L94 VanDerWaalsContact C-N 3.33Å; I92-L94 PolarHBondContact O-N 3.21Å; L94-N96 PolarHBondContact O-N 3.1Å; L94-H97 VanDerWaalsContact O-CB 3.3Å; L94-H97 WeakPolarHBondContact O-CB 3.3Å; L94-H97 PolarHBondContact O-N 3.14Å; L94-V137 HydrophobicContact CD2-CG1 3.66Å; L94-L139 HydrophobicContact CD1-CD1 3.69Å; L94-L139 HydrophobicContact CD1-CD2 4.19Å; L94-L139 HydrophobicContact CD2-CD1 4.05Å; L94-L139 HydrophobicContact CG-CD1 3.83Å; L94-I190 HydrophobicContact CD1-CD1 4.47Å; L94-I190 HydrophobicContact CD1-CG2 4.45Å; L94-W194 HydrophobicContact CB-CD2 3.85Å; L94-W194 HydrophobicContact CB-CE3 3.72Å; L94-W194 HydrophobicContact CB-CH2 3.58Å; L94-W194 HydrophobicContact CB-CZ2 3.74Å; L94-W194 HydrophobicContact CB-CZ3 3.59Å; L94-W194 HydrophobicContact CD1-CB 4.16Å; L94-W194 HydrophobicContact CD1-CD2 3.68Å; L94-W194 HydrophobicContact CD1-CE3 4.21Å; L94-W194 HydrophobicContact CD1-CG 3.65Å; L94-W194 HydrophobicContact CD2-CD2 4.19Å; L94-W194 HydrophobicContact CD2-CE3 3.87Å; L94-W194 HydrophobicContact CD2-CZ3 4.37Å; L94-W194 HydrophobicContact CG-CD2 4.1Å; L94-W194 HydrophobicContact CG-CE3 4.13Å; L94-W194 HydrophobicContact CG-CZ3 4.47Å; L94-W194 VanDerWaalsContact N-CH2 3.27Å |
| 95 | W | 97.7 | Very high | 96 | Very high | 105 Ų | 105 | 75.4 Ų | 75.4 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 178.7 | -177.1 | -89.8 | 0 | 0 | 0 | 112.3 | K77 I79 I91 I92 H97 F98 | K77-W95 HydrophobicContact CB-CH2 3.89Å; K77-W95 HydrophobicContact CB-CZ2 4.26Å; I79-W95 HydrophobicContact CD1-CB 4.13Å; I79-W95 HydrophobicContact CD1-CE3 3.91Å; I79-W95 HydrophobicContact CG1-CE3 4.04Å; I91-W95 PolarHBondContact O-N 3.02Å; I92-W95 HydrophobicContact CD1-CB 4.29Å; I92-W95 HydrophobicContact CD1-CG 4.4Å; I92-W95 WeakPolarHBondContact O-CB 3.36Å; I92-W95 PolarHBondContact O-N 2.88Å; W95-H97 PolarHBondContact O-N 3.32Å; W95-H97 VanDerWaalsContact O-N 3.16Å; W95-F98 HydrophobicContact CD2-CD2 4.21Å; W95-F98 HydrophobicContact CD2-CE2 4.42Å; W95-F98 HydrophobicContact CE3-CD2 4.29Å; W95-F98 HydrophobicContact CE3-CE2 4.03Å; W95-F98 HydrophobicContact CZ3-CE2 4.16Å; W95-F98 WeakPolarHBondContact O-CB 3.49Å; W95-F98 VanDerWaalsContact O-CD2 3.3Å; W95-F98 WeakPolarHBondContact O-CD2 3.4Å; W95-F98 PolarHBondContact O-N 2.92Å; W95-F98 VanDerWaalsContact O-N 3.11Å |
| 96 | N | 97.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 73 Ų | 73 | 34% | 0.342 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -18.8 | 178.8 | -66 | -20.7 | 0 | 0 | 0 | 113 | I92 E93 L94 F98 E99 | I92-N96 PolarHBondContact O-N 3.03Å; I92-N96 PolarHBondContact O-ND2 2.95Å; I92-N96 PolarHBondContact O-OD1 2.71Å; E93-N96 PolarHBondContact O-N 3.49Å; L94-N96 PolarHBondContact O-N 3.1Å; N96-F98 PolarHBondContact O-N 3.21Å; N96-F98 VanDerWaalsContact O-N 3.16Å; N96-E99 WeakPolarHBondContact O-CB 3.15Å; N96-E99 PolarHBondContact O-N 3.25Å |
| 97 | H | 98.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 65.4 Ų | 65.4 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -61 | -23.4 | 173.2 | -77.1 | -93.1 | 0 | 0 | 0 | 113.2 | E93 L94 W95 E99 N100 F101 L139 Y188 P191 W194 | E93-H97 PolarHBondContact O-CD2 3.27Å; E93-H97 VanDerWaalsContact O-CD2 3.3Å; L94-H97 VanDerWaalsContact O-CB 3.3Å; L94-H97 WeakPolarHBondContact O-CB 3.3Å; L94-H97 PolarHBondContact O-N 3.14Å; W95-H97 PolarHBondContact O-N 3.32Å; W95-H97 VanDerWaalsContact O-N 3.16Å; H97-E99 PolarHBondContact O-N 2.97Å; H97-N100 WeakPolarHBondContact O-CB 3.32Å; H97-N100 PolarHBondContact O-N 2.88Å; H97-F101 VanDerWaalsContact O-CD1 3.31Å; H97-F101 WeakPolarHBondContact O-CD1 3.38Å; H97-L139 HydrophobicContact CB-CD2 3.73Å; H97-Y188 HydrophobicContact CB-CE1 3.85Å; H97-Y188 AromaticContact ND1-CE1 3.6Å; H97-Y188 AromaticContact ND1-CZ 3.67Å; H97-Y188 PolarHBondContact ND1-OH 2.87Å; H97-P191 WeakPolarHBondContact CE1-CD 3.26Å; H97-W194 AromaticContact CD2-NE1 3.92Å; H97-W194 AromaticContact NE2-NE1 3.36Å; H97-W194 PolarHBondContact NE2-NE1 2.92Å |
| 98 | F | 98.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.8 | 172.1 | -79.5 | -65.3 | 0 | 0 | 0 | 113.5 | K77 V78 I79 W95 N96 N100 F101 L139 D141 | K77-F98 HydrophobicContact CB-CD1 4.39Å; K77-F98 HydrophobicContact CB-CD2 4.23Å; K77-F98 HydrophobicContact CB-CE1 4.09Å; K77-F98 HydrophobicContact CB-CE2 3.93Å; K77-F98 HydrophobicContact CB-CG 4.47Å; K77-F98 HydrophobicContact CB-CZ 3.85Å; K77-F98 HydrophobicContact CD-CB 3.86Å; K77-F98 HydrophobicContact CD-CD1 3.82Å; K77-F98 HydrophobicContact CD-CD2 4.05Å; K77-F98 HydrophobicContact CD-CE1 4.34Å; K77-F98 HydrophobicContact CD-CG 3.66Å; K77-F98 HydrophobicContact CG-CD1 3.94Å; K77-F98 HydrophobicContact CG-CD2 4.45Å; K77-F98 HydrophobicContact CG-CE1 3.97Å; K77-F98 HydrophobicContact CG-CE2 4.48Å; K77-F98 HydrophobicContact CG-CG 4.19Å; K77-F98 HydrophobicContact CG-CZ 4.25Å; V78-F98 WeakPolarHBondContact O-CZ 3.13Å; I79-F98 HydrophobicContact CG1-CE2 4.12Å; W95-F98 HydrophobicContact CD2-CD2 4.21Å; W95-F98 HydrophobicContact CD2-CE2 4.42Å; W95-F98 HydrophobicContact CE3-CD2 4.29Å; W95-F98 HydrophobicContact CE3-CE2 4.03Å; W95-F98 HydrophobicContact CZ3-CE2 4.16Å; W95-F98 WeakPolarHBondContact O-CB 3.49Å; W95-F98 VanDerWaalsContact O-CD2 3.3Å; W95-F98 WeakPolarHBondContact O-CD2 3.4Å; W95-F98 PolarHBondContact O-N 2.92Å; W95-F98 VanDerWaalsContact O-N 3.11Å; N96-F98 PolarHBondContact O-N 3.21Å; N96-F98 VanDerWaalsContact O-N 3.16Å; F98-N100 VanDerWaalsContact C-N 3.27Å; F98-F101 HydrophobicContact CD1-CD2 4.22Å; F98-F101 HydrophobicContact CD1-CE1 4.34Å; F98-F101 AromaticContact CD1-CE2 3.8Å; F98-F101 HydrophobicContact CD1-CE2 3.8Å; F98-F101 AromaticContact CD1-CZ 3.87Å; F98-F101 HydrophobicContact CD1-CZ 3.87Å; F98-F101 AromaticContact CE1-CE2 3.97Å; F98-F101 HydrophobicContact CE1-CE2 3.97Å; F98-F101 HydrophobicContact CE1-CZ 4.04Å; F98-L139 HydrophobicContact CD1-CB 4.43Å; F98-L139 HydrophobicContact CD2-CD2 4.34Å; F98-L139 HydrophobicContact CE1-CB 3.7Å; F98-L139 HydrophobicContact CE1-CG 4.31Å; F98-L139 HydrophobicContact CE2-CB 4.2Å; F98-L139 HydrophobicContact CE2-CD2 4.28Å; F98-L139 HydrophobicContact CE2-CG 3.97Å; F98-L139 HydrophobicContact CG-CD2 4.5Å; F98-L139 HydrophobicContact CZ-CB 3.56Å; F98-L139 HydrophobicContact CZ-CD2 4.39Å; F98-L139 HydrophobicContact CZ-CG 3.85Å; F98-D141 HydrophobicContact CD1-CB 4.41Å; F98-D141 HydrophobicContact CE1-CB 4.24Å |
| 99 | E | 97.8 | Very high | 97 | Very high | 158 Ų | 158 | 56.4 Ų | 56.4 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -73.4 | -22.2 | 176.8 | -58.4 | -175.1 | 164.7 | 0 | 0 | 112.2 | N96 H97 | N96-E99 WeakPolarHBondContact O-CB 3.15Å; N96-E99 PolarHBondContact O-N 3.25Å; H97-E99 PolarHBondContact O-N 2.97Å |
| 100 | N | 98.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 53.3 Ų | 53.3 | 53% | 0.529 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -87.8 | -5.1 | 179.3 | -61.4 | -37.6 | 0 | 0 | 0 | 113.1 | H97 F98 S102 Y188 | H97-N100 WeakPolarHBondContact O-CB 3.32Å; H97-N100 PolarHBondContact O-N 2.88Å; F98-N100 VanDerWaalsContact C-N 3.27Å; N100-S102 PolarHBondContact O-N 3.11Å; N100-Y188 HydrophobicContact CB-CE2 3.66Å; N100-Y188 WeakPolarHBondContact CB-OH 3.28Å; N100-Y188 PolarHBondContact ND2-OH 3.22Å |
| 101 | F | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | trans | -66.1 | 131.9 | 177.7 | -78.2 | 25.3 | 0 | 0 | 0 | 109.6 | H97 F98 Q105 L139 D141 Y188 | H97-F101 VanDerWaalsContact O-CD1 3.31Å; H97-F101 WeakPolarHBondContact O-CD1 3.38Å; F98-F101 HydrophobicContact CD1-CD2 4.22Å; F98-F101 HydrophobicContact CD1-CE1 4.34Å; F98-F101 AromaticContact CD1-CE2 3.8Å; F98-F101 HydrophobicContact CD1-CE2 3.8Å; F98-F101 AromaticContact CD1-CZ 3.87Å; F98-F101 HydrophobicContact CD1-CZ 3.87Å; F98-F101 AromaticContact CE1-CE2 3.97Å; F98-F101 HydrophobicContact CE1-CE2 3.97Å; F98-F101 HydrophobicContact CE1-CZ 4.04Å; F101-Q105 HydrophobicContact CB-CB 4.04Å; F101-Q105 HydrophobicContact CD2-CB 4.25Å; F101-Q105 VanDerWaalsContact CD2-O 3.3Å; F101-Q105 WeakPolarHBondContact CD2-O 3.15Å; F101-Q105 HydrophobicContact CG-CB 4.16Å; F101-L139 HydrophobicContact CE1-CD2 4.28Å; F101-L139 HydrophobicContact CZ-CB 3.85Å; F101-L139 HydrophobicContact CZ-CD2 4.34Å; F101-D141 HydrophobicContact CD2-CB 4.28Å; F101-D141 HydrophobicContact CE2-CB 4.24Å; F101-Y188 AromaticContact CD1-CD1 3.91Å; F101-Y188 HydrophobicContact CD1-CD1 3.91Å; F101-Y188 AromaticContact CD1-CD2 3.68Å; F101-Y188 HydrophobicContact CD1-CD2 3.68Å; F101-Y188 HydrophobicContact CD1-CE1 4.41Å; F101-Y188 HydrophobicContact CD1-CE2 4.24Å; F101-Y188 AromaticContact CD1-CG 3.5Å; F101-Y188 HydrophobicContact CD1-CG 3.5Å; F101-Y188 VanDerWaalsContact CD1-CG 3.5Å; F101-Y188 AromaticContact CE1-CD1 3.36Å; F101-Y188 HydrophobicContact CE1-CD1 3.36Å; F101-Y188 HydrophobicContact CE1-CD2 4.01Å; F101-Y188 HydrophobicContact CE1-CE1 4.03Å; F101-Y188 AromaticContact CE1-CG 3.34Å; F101-Y188 HydrophobicContact CE1-CG 3.34Å; F101-Y188 HydrophobicContact CZ-CD1 4.28Å; F101-Y188 HydrophobicContact CZ-CG 4.25Å | ||
| 102 | S | 97.7 | Very high | 97.6 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | trans | -60.8 | 175.6 | 168.1 | 86.1 | 0 | 0 | 0 | 0 | 111.4 | N100 T104 Q105 K144 | N100-S102 PolarHBondContact O-N 3.11Å; S102-T104 PolarHBondContact O-N 3.45Å; S102-T104 PolarHBondContact OG-N 2.9Å; S102-T104 PolarHBondContact OG-OG1 3.48Å; S102-Q105 WeakPolarHBondContact OG-CG 3.42Å; S102-Q105 PolarHBondContact OG-N 2.8Å; S102-K144 PolarHBondContact O-NZ 2.94Å | ||
| 103 | Q | 96.5 | Very high | 97.7 | Very high | 183 Ų | 183 | 47.4 Ų | 47.4 | 86% | 0.855 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -57.6 | -32.7 | 178.1 | -169.4 | 173.5 | 29.2 | 0 | 0 | 112.8 | ||
| 104 | T | 96.9 | Very high | 97.7 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 43% | 0.429 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -101 | -25.5 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | S102 S106 H185 | S102-T104 PolarHBondContact O-N 3.45Å; S102-T104 PolarHBondContact OG-N 2.9Å; S102-T104 PolarHBondContact OG-OG1 3.48Å; T104-S106 PolarHBondContact O-N 3.04Å; T104-H185 CarbonylContact C-O 3.49Å; T104-H185 PolarHBondContact OG1-O 2.75Å |
| 105 | Q | 98.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | trans | -62.6 | 133.6 | 179.7 | -76.8 | 173 | -33.9 | 0 | 0 | 110.6 | F101 S102 K144 H185 L186 L187 | F101-Q105 HydrophobicContact CB-CB 4.04Å; F101-Q105 HydrophobicContact CD2-CB 4.25Å; F101-Q105 VanDerWaalsContact CD2-O 3.3Å; F101-Q105 WeakPolarHBondContact CD2-O 3.15Å; F101-Q105 HydrophobicContact CG-CB 4.16Å; S102-Q105 WeakPolarHBondContact OG-CG 3.42Å; S102-Q105 PolarHBondContact OG-N 2.8Å; Q105-K144 WeakPolarHBondContact O-CD 3.26Å; Q105-K144 PolarHBondContact O-NZ 2.87Å; Q105-H185 WeakPolarHBondContact CA-O 3.36Å; Q105-H185 PolarHBondContact N-O 3.4Å; Q105-L186 WeakPolarHBondContact CA-O 3.29Å; Q105-L187 VanDerWaalsContact CG-O 3.29Å; Q105-L187 WeakPolarHBondContact CG-O 3.44Å; Q105-L187 PolarHBondContact NE2-O 3.41Å | ||
| 106 | S | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | trans | -141.7 | -11.7 | -174.4 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | T104 D141 L186 | T104-S106 PolarHBondContact O-N 3.04Å; S106-D141 PolarHBondContact O-N 3.18Å; S106-L186 PolarHBondContact N-O 2.89Å | ||
| 107 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 112.8 | 179.7 | -62.8 | 171.4 | 0 | 0 | 0 | 109 | L139 F140 I145 W150 L180 L186 L187 Y188 | I107-L139 CarbonylContact C-O 3.56Å; I107-L139 WeakPolarHBondContact CA-O 3.16Å; I107-F140 HydrophobicContact CB-CD1 4.38Å; I107-F140 HydrophobicContact CB-CE1 4.24Å; I107-F140 HydrophobicContact CD1-CE1 4.14Å; I107-F140 HydrophobicContact CG1-CD1 3.94Å; I107-F140 HydrophobicContact CG1-CE1 3.74Å; I107-F140 HydrophobicContact CG2-CD1 4.11Å; I107-F140 HydrophobicContact CG2-CE1 3.69Å; I107-I145 HydrophobicContact CD1-CD1 4.35Å; I107-I145 HydrophobicContact CG1-CD1 3.73Å; I107-I145 HydrophobicContact CG1-CG1 4.37Å; I107-W150 HydrophobicContact CD1-CE3 4.4Å; I107-W150 HydrophobicContact CD1-CH2 3.84Å; I107-W150 HydrophobicContact CD1-CZ3 3.56Å; I107-L180 HydrophobicContact CB-CD2 4.08Å; I107-L180 HydrophobicContact CD1-CD2 4.16Å; I107-L180 HydrophobicContact CG2-CD1 4.32Å; I107-L180 HydrophobicContact CG2-CD2 4.11Å; I107-L186 PolarHBondContact N-O 3.24Å; I107-L187 CarbonylContact O-C 3.33Å; I107-Y188 PolarHBondContact O-N 3.03Å |
| 108 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 133.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | L138 L139 Y188 | G108-L138 CarbonylContact O-C 3.58Å; G108-L138 VanDerWaalsContact O-CA 3.28Å; G108-L138 WeakPolarHBondContact O-CA 3.37Å; G108-L139 PolarHBondContact N-O 2.81Å; G108-L139 PolarHBondContact O-N 2.79Å; G108-Y188 CarbonylContact C-O 3.47Å; G108-Y188 WeakPolarHBondContact CA-O 3.37Å |
| 109 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 149.9 | -178.5 | -169.3 | 172.1 | 0 | 0 | 0 | 110.4 | Y133 N134 N135 L138 L180 L187 Y188 E189 I190 | I109-Y133 VanDerWaalsContact CD1-CB 3.49Å; I109-Y133 HydrophobicContact CD1-CG 4.43Å; I109-Y133 HydrophobicContact CG2-CD1 3.64Å; I109-Y133 HydrophobicContact CG2-CD2 4.49Å; I109-Y133 HydrophobicContact CG2-CE1 4.33Å; I109-Y133 HydrophobicContact CG2-CG 3.76Å; I109-N134 WeakPolarHBondContact CG1-O 3.4Å; I109-N135 HydrophobicContact CD1-CB 3.97Å; I109-L138 HydrophobicContact CB-CD2 3.86Å; I109-L138 HydrophobicContact CD1-CD2 3.45Å; I109-L138 VanDerWaalsContact CD1-CD2 3.45Å; I109-L138 HydrophobicContact CG1-CD2 3.58Å; I109-L180 HydrophobicContact CD1-CD1 4.36Å; I109-L180 HydrophobicContact CG2-CD1 3.8Å; I109-L187 HydrophobicContact CG2-CD1 3.46Å; I109-L187 VanDerWaalsContact CG2-CD1 3.46Å; I109-Y188 PolarHBondContact N-O 2.64Å; I109-E189 WeakPolarHBondContact O-CA 3.46Å; I109-I190 PolarHBondContact O-N 3.3Å |
| 110 | G | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 151.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y133 N134 | G110-Y133 WeakPolarHBondContact O-CA 3.46Å; G110-N134 PolarHBondContact O-N 2.92Å |
| 111 | L | 96.5 | Very high | 96.1 | Very high | 50 Ų | 50 | 40 Ų | 40 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 142.5 | 175 | -71.2 | 172.1 | 0 | 0 | 0 | 111.6 | Y133 E189 Q197 | L111-Y133 HydrophobicContact CD2-CD1 4.13Å; L111-Y133 HydrophobicContact CD2-CE1 3.66Å; L111-Y133 HydrophobicContact CG-CE1 4.45Å; L111-E189 WeakPolarHBondContact CD1-OE1 3.39Å; L111-E189 WeakPolarHBondContact CD2-OE2 3.29Å; L111-E189 HydrophobicContact CG-CG 4.24Å; L111-Q197 PolarHBondContact O-NE2 3.29Å |
| 112 | E | 97.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -68 | 133.8 | 165.3 | 179.1 | 56.6 | -116.3 | 0 | 0 | 109.4 | N114 F117 Y131 G132 N134 Q173 Q197 R206 | E112-N114 WeakPolarHBondContact OE1-CB 3.38Å; E112-N114 PolarHBondContact OE1-N 3.33Å; E112-F117 VanDerWaalsContact CD-CD2 3.48Å; E112-F117 VanDerWaalsContact CD-CE2 3.49Å; E112-F117 HydrophobicContact CG-CB 3.85Å; E112-F117 HydrophobicContact CG-CD1 4.19Å; E112-F117 HydrophobicContact CG-CD2 3.43Å; E112-F117 VanDerWaalsContact CG-CD2 3.43Å; E112-F117 HydrophobicContact CG-CE2 3.95Å; E112-F117 HydrophobicContact CG-CG 3.56Å; E112-F117 WeakPolarHBondContact OE2-CE2 3.3Å; E112-Y131 WeakPolarHBondContact CB-O 3.33Å; E112-Y131 WeakPolarHBondContact O-CD2 3.42Å; E112-G132 WeakPolarHBondContact CB-O 3.34Å; E112-G132 PolarHBondContact N-O 2.95Å; E112-N134 HydrophobicContact CB-CB 4.47Å; E112-N134 WeakPolarHBondContact OE2-CB 3.31Å; E112-N134 PolarHBondContact OE2-ND2 3.05Å; E112-Q173 PolarHBondContact OE2-NE2 2.72Å; E112-Q197 PolarHBondContact OE1-OE1 3.21Å; E112-R206 PolarHBondContact O-NH1 3.49Å |
| 113 | Q | 96.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -105.9 | -10.6 | -174.5 | -60.9 | 174.1 | 18.8 | 0 | 0 | 111.4 | N195 Q197 D203 R206 C207 | Q113-N195 PolarHBondContact NE2-O 2.78Å; Q113-Q197 HydrophobicContact CB-CB 4.2Å; Q113-Q197 VanDerWaalsContact OE1-N 3.14Å; Q113-D203 WeakPolarHBondContact O-CB 3.43Å; Q113-D203 PolarHBondContact O-N 2.94Å; Q113-R206 HydrophobicContact CB-CB 4.11Å; Q113-R206 HydrophobicContact CG-CB 4.03Å; Q113-C207 HydrophobicContact CG-CB 4.49Å | ||
| 114 | N | 95.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 36.9 Ų | 36.9 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | trans | -89.1 | 117.5 | 175.9 | -164.9 | -39.5 | 0 | 0 | 0 | 112 | E112 H116 F117 Y131 E200 | E112-N114 WeakPolarHBondContact OE1-CB 3.38Å; E112-N114 PolarHBondContact OE1-N 3.33Å; N114-H116 PolarHBondContact O-N 3.5Å; N114-H116 VanDerWaalsContact O-N 3.12Å; N114-H116 WeakPolarHBondContact OD1-CB 3.36Å; N114-H116 PolarHBondContact OD1-N 2.97Å; N114-F117 HydrophobicContact CB-CD2 4.19Å; N114-F117 PolarHBondContact O-N 2.88Å; N114-F117 VanDerWaalsContact O-N 3.16Å; N114-Y131 WeakPolarHBondContact O-CD2 3.2Å; N114-E200 PolarHBondContact ND2-O 2.8Å | ||
| 115 | P | 94 | Very high | 95.3 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 33% | 0.325 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.9 | -179.8 | 27.7 | -34.3 | 0 | 0 | 0 | 113.7 | F117 Q118 Y131 G201 | P115-F117 PolarHBondContact O-N 3.34Å; P115-F117 VanDerWaalsContact O-N 3.09Å; P115-Q118 WeakPolarHBondContact O-CB 3.44Å; P115-Q118 PolarHBondContact O-N 3.1Å; P115-Y131 VanDerWaalsContact CA-CE2 3.5Å; P115-Y131 HydrophobicContact CB-CE1 4.24Å; P115-Y131 HydrophobicContact CB-CE2 3.88Å; P115-G201 WeakPolarHBondContact CD-O 3.34Å |
| 116 | H | 92.4 | Very high | 95.1 | Very high | 103 Ų | 103 | 39.7 Ų | 39.7 | 48% | 0.477 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30.9 | 172.7 | 179.9 | 56.5 | 0 | 0 | 0 | 112.4 | N114 Q118 D119 V120 | N114-H116 PolarHBondContact O-N 3.5Å; N114-H116 VanDerWaalsContact O-N 3.12Å; N114-H116 WeakPolarHBondContact OD1-CB 3.36Å; N114-H116 PolarHBondContact OD1-N 2.97Å; H116-Q118 PolarHBondContact O-N 3.01Å; H116-D119 PolarHBondContact O-N 3.44Å; H116-V120 PolarHBondContact O-N 3.35Å |
| 117 | F | 93.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.3 | -16.9 | 179.4 | -82.9 | -99 | 0 | 0 | 0 | 114.2 | E112 N114 P115 D119 V120 M121 Y131 T170 | E112-F117 VanDerWaalsContact CD-CD2 3.48Å; E112-F117 VanDerWaalsContact CD-CE2 3.49Å; E112-F117 HydrophobicContact CG-CB 3.85Å; E112-F117 HydrophobicContact CG-CD1 4.19Å; E112-F117 HydrophobicContact CG-CD2 3.43Å; E112-F117 VanDerWaalsContact CG-CD2 3.43Å; E112-F117 HydrophobicContact CG-CE2 3.95Å; E112-F117 HydrophobicContact CG-CG 3.56Å; E112-F117 WeakPolarHBondContact OE2-CE2 3.3Å; N114-F117 HydrophobicContact CB-CD2 4.19Å; N114-F117 PolarHBondContact O-N 2.88Å; N114-F117 VanDerWaalsContact O-N 3.16Å; P115-F117 PolarHBondContact O-N 3.34Å; P115-F117 VanDerWaalsContact O-N 3.09Å; F117-D119 PolarHBondContact O-N 3.43Å; F117-V120 HydrophobicContact CD1-CB 4.24Å; F117-V120 HydrophobicContact CD1-CG1 4.46Å; F117-V120 PolarHBondContact O-N 3.17Å; F117-V120 VanDerWaalsContact O-N 3.1Å; F117-M121 HydrophobicContact CD1-CE 3.57Å; F117-M121 HydrophobicContact CD1-CG 4.35Å; F117-M121 HydrophobicContact CD1-SD 4.41Å; F117-M121 HydrophobicContact CE1-CE 3.92Å; F117-M121 WeakPolarHBondContact O-CG 3.43Å; F117-M121 PolarHBondContact O-N 3.04Å; F117-Y131 WeakPolarHBondContact CB-O 3.39Å; F117-T170 HydrophobicContact CE1-CG2 3.58Å; F117-T170 HydrophobicContact CZ-CG2 3.68Å |
| 118 | Q | 93 | Very high | 94.6 | Very high | 109 Ų | 109 | 45.3 Ų | 45.3 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -23.5 | 168.5 | -168.6 | 168.8 | -1.5 | 0 | 0 | 112.3 | P115 H116 P122 Y131 | P115-Q118 WeakPolarHBondContact O-CB 3.44Å; P115-Q118 PolarHBondContact O-N 3.1Å; H116-Q118 PolarHBondContact O-N 3.01Å; Q118-P122 WeakPolarHBondContact O-CD 3.38Å; Q118-P122 WeakPolarHBondContact O-CG 3.38Å; Q118-Y131 HydrophobicContact CB-CD1 4.02Å; Q118-Y131 HydrophobicContact CB-CE1 4.19Å |
| 119 | D | 92.3 | Very high | 94.3 | Very high | 104 Ų | 104 | 53.8 Ų | 53.8 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -97.7 | -13.3 | 174 | -62 | -40.6 | 0 | 0 | 0 | 113.3 | H116 F117 K123 | H116-D119 PolarHBondContact O-N 3.44Å; F117-D119 PolarHBondContact O-N 3.43Å; D119-K123 VanDerWaalsContact O-CD 3.3Å; D119-K123 WeakPolarHBondContact O-CD 3.26Å; D119-K123 WeakPolarHBondContact O-CE 3.49Å; D119-K123 WeakPolarHBondContact O-CG 3.5Å; D119-K123 PolarHBondContact O-NZ 2.91Å |
| 120 | V | 92.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -90.1 | -52.3 | -178 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | H116 F117 K123 I169 T170 | H116-V120 PolarHBondContact O-N 3.35Å; F117-V120 HydrophobicContact CD1-CB 4.24Å; F117-V120 HydrophobicContact CD1-CG1 4.46Å; F117-V120 PolarHBondContact O-N 3.17Å; F117-V120 VanDerWaalsContact O-N 3.1Å; V120-K123 VanDerWaalsContact O-CB 3.32Å; V120-K123 WeakPolarHBondContact O-CB 3.47Å; V120-K123 PolarHBondContact O-N 2.93Å; V120-K123 VanDerWaalsContact O-N 3.09Å; V120-I169 HydrophobicContact CG1-CB 4.03Å; V120-I169 HydrophobicContact CG1-CD1 3.88Å; V120-I169 HydrophobicContact CG1-CG2 3.83Å; V120-T170 HydrophobicContact CG1-CG2 4.08Å |
| 121 | M | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -64.3 | -40.9 | -172.3 | -61.2 | -66.1 | 98.3 | 0 | 0 | 113 | F117 K123 L124 E125 W128 N177 | F117-M121 HydrophobicContact CD1-CE 3.57Å; F117-M121 HydrophobicContact CD1-CG 4.35Å; F117-M121 HydrophobicContact CD1-SD 4.41Å; F117-M121 HydrophobicContact CE1-CE 3.92Å; F117-M121 WeakPolarHBondContact O-CG 3.43Å; F117-M121 PolarHBondContact O-N 3.04Å; M121-K123 PolarHBondContact O-N 3.1Å; M121-L124 HydrophobicContact CE-CD1 3.94Å; M121-L124 PolarHBondContact O-N 3.29Å; M121-E125 PolarHBondContact O-N 3.25Å; M121-E125 VanDerWaalsContact O-N 3.08Å; M121-W128 HydrophobicContact CB-CB 4.21Å; M121-W128 HydrophobicContact CB-CD2 3.54Å; M121-W128 HydrophobicContact CB-CE3 4.31Å; M121-W128 HydrophobicContact CB-CG 3.41Å; M121-W128 VanDerWaalsContact CB-CG 3.41Å; M121-W128 HydrophobicContact CB-CZ2 4.37Å; M121-W128 VanDerWaalsContact CB-NE1 3.34Å; M121-W128 HydrophobicContact CG-CD2 4.18Å; M121-W128 HydrophobicContact CG-CG 4.41Å; M121-W128 HydrophobicContact CG-CZ2 4.09Å; M121-W128 HydrophobicContact SD-CH2 4.29Å; M121-W128 HydrophobicContact SD-CZ2 3.99Å; M121-N177 HydrophobicContact SD-CB 3.84Å |
| 122 | P | 94.6 | Very high | 93.6 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.7 | -16.4 | 174.9 | -28 | 39.1 | 0 | 0 | 0 | 115.3 | Q118 L124 E125 W128 | Q118-P122 WeakPolarHBondContact O-CD 3.38Å; Q118-P122 WeakPolarHBondContact O-CG 3.38Å; P122-L124 VanDerWaalsContact C-N 3.34Å; P122-E125 CarbonylContact C-O 3.5Å; P122-E125 VanDerWaalsContact CA-O 3.23Å; P122-E125 WeakPolarHBondContact CA-O 3.49Å; P122-W128 HydrophobicContact CG-CB 4.44Å |
| 123 | K | 93.1 | Very high | 93.6 | Very high | 116 Ų | 116 | 56 Ų | 56 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -77 | -24.2 | 173.5 | -65 | 171.2 | -179.4 | 140.8 | 0 | 112.2 | D119 V120 M121 H165 I169 | D119-K123 VanDerWaalsContact O-CD 3.3Å; D119-K123 WeakPolarHBondContact O-CD 3.26Å; D119-K123 WeakPolarHBondContact O-CE 3.49Å; D119-K123 WeakPolarHBondContact O-CG 3.5Å; D119-K123 PolarHBondContact O-NZ 2.91Å; V120-K123 VanDerWaalsContact O-CB 3.32Å; V120-K123 WeakPolarHBondContact O-CB 3.47Å; V120-K123 PolarHBondContact O-N 2.93Å; V120-K123 VanDerWaalsContact O-N 3.09Å; M121-K123 PolarHBondContact O-N 3.1Å; K123-H165 PolarHBondContact O-CE1 3.23Å; K123-H165 PolarHBondContact O-NE2 3.26Å; K123-I169 HydrophobicContact CB-CD1 4.3Å; K123-I169 HydrophobicContact CD-CD1 4.04Å |
| 124 | L | 92.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -39.2 | 179.6 | -57.6 | 175.7 | 0 | 0 | 0 | 111.2 | M121 P122 V161 D174 L178 | M121-L124 HydrophobicContact CE-CD1 3.94Å; M121-L124 PolarHBondContact O-N 3.29Å; P122-L124 VanDerWaalsContact C-N 3.34Å; L124-V161 HydrophobicContact CD2-CG1 3.92Å; L124-D174 HydrophobicContact CD1-CB 3.58Å; L124-L178 HydrophobicContact CB-CD1 4.39Å; L124-L178 HydrophobicContact CB-CD2 4.04Å; L124-L178 HydrophobicContact CB-CG 4.46Å |
| 125 | E | 93.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 56.2 Ų | 56.2 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -140.4 | 121.5 | 177.2 | 176.4 | 53.4 | -92.1 | 0 | 0 | 109.6 | M121 P122 D127 W128 L178 F181 | M121-E125 PolarHBondContact O-N 3.25Å; M121-E125 VanDerWaalsContact O-N 3.08Å; P122-E125 CarbonylContact C-O 3.5Å; P122-E125 VanDerWaalsContact CA-O 3.23Å; P122-E125 WeakPolarHBondContact CA-O 3.49Å; E125-D127 VanDerWaalsContact C-N 3.34Å; E125-D127 VanDerWaalsContact CD-OD1 3.25Å; E125-D127 WeakPolarHBondContact CG-OD1 3.33Å; E125-D127 PolarHBondContact O-N 3.22Å; E125-W128 HydrophobicContact CB-CB 4.46Å; E125-W128 HydrophobicContact CB-CE3 4.13Å; E125-W128 WeakPolarHBondContact O-CB 3.45Å; E125-W128 PolarHBondContact O-N 2.75Å; E125-W128 VanDerWaalsContact O-N 3.16Å; E125-L178 HydrophobicContact CB-CD2 3.99Å; E125-F181 HydrophobicContact CG-CD1 3.91Å; E125-F181 HydrophobicContact CG-CE1 3.49Å; E125-F181 VanDerWaalsContact CG-CE1 3.49Å; E125-F181 HydrophobicContact CG-CZ 3.97Å |
| 126 | S | 92.7 | Very high | 93.9 | Very high | 108 Ų | 108 | 54 Ų | 54 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -26.7 | -164.8 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | W128 | S126-W128 VanDerWaalsContact C-N 3.33Š|
| 127 | D | 93.1 | Very high | 94.2 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 13.7 | 177.2 | 70.4 | -24.6 | 0 | 0 | 0 | 112.7 | E125 E129 F181 | E125-D127 VanDerWaalsContact C-N 3.34Å; E125-D127 VanDerWaalsContact CD-OD1 3.25Å; E125-D127 WeakPolarHBondContact CG-OD1 3.33Å; E125-D127 PolarHBondContact O-N 3.22Å; D127-E129 PolarHBondContact O-N 2.65Å; D127-F181 WeakPolarHBondContact OD1-CE1 3.24Å; D127-F181 WeakPolarHBondContact OD1-CZ 3.32Å |
| 128 | W | 94.6 | Very high | 94.4 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 8% | 0.076 | 26% | 0.255 | C | S | . | . | trans | -68 | 130.5 | 178.7 | -166.1 | -69.5 | 0 | 0 | 0 | 112.7 | M121 P122 E125 S126 N177 F181 | M121-W128 HydrophobicContact CB-CB 4.21Å; M121-W128 HydrophobicContact CB-CD2 3.54Å; M121-W128 HydrophobicContact CB-CE3 4.31Å; M121-W128 HydrophobicContact CB-CG 3.41Å; M121-W128 VanDerWaalsContact CB-CG 3.41Å; M121-W128 HydrophobicContact CB-CZ2 4.37Å; M121-W128 VanDerWaalsContact CB-NE1 3.34Å; M121-W128 HydrophobicContact CG-CD2 4.18Å; M121-W128 HydrophobicContact CG-CG 4.41Å; M121-W128 HydrophobicContact CG-CZ2 4.09Å; M121-W128 HydrophobicContact SD-CH2 4.29Å; M121-W128 HydrophobicContact SD-CZ2 3.99Å; P122-W128 HydrophobicContact CG-CB 4.44Å; E125-W128 HydrophobicContact CB-CB 4.46Å; E125-W128 HydrophobicContact CB-CE3 4.13Å; E125-W128 WeakPolarHBondContact O-CB 3.45Å; E125-W128 PolarHBondContact O-N 2.75Å; E125-W128 VanDerWaalsContact O-N 3.16Å; S126-W128 VanDerWaalsContact C-N 3.33Å; W128-N177 VanDerWaalsContact CH2-C 3.47Å; W128-N177 HydrophobicContact CH2-CB 3.4Å; W128-N177 VanDerWaalsContact CH2-CB 3.4Å; W128-N177 VanDerWaalsContact CH2-O 3.26Å; W128-N177 WeakPolarHBondContact CH2-O 3.14Å; W128-N177 HydrophobicContact CZ2-CB 4.05Å; W128-N177 WeakPolarHBondContact CZ2-OD1 3.17Å; W128-N177 HydrophobicContact CZ3-CB 4.09Å; W128-N177 WeakPolarHBondContact CZ3-O 2.97Å; W128-F181 AromaticContact CD2-CD2 3.9Å; W128-F181 HydrophobicContact CD2-CD2 3.9Å; W128-F181 HydrophobicContact CD2-CE2 4.22Å; W128-F181 HydrophobicContact CE3-CB 3.98Å; W128-F181 HydrophobicContact CE3-CD1 4.49Å; W128-F181 AromaticContact CE3-CD2 3.47Å; W128-F181 HydrophobicContact CE3-CD2 3.47Å; W128-F181 VanDerWaalsContact CE3-CD2 3.47Å; W128-F181 HydrophobicContact CE3-CE2 4.06Å; W128-F181 AromaticContact CE3-CG 3.73Å; W128-F181 HydrophobicContact CE3-CG 3.73Å; W128-F181 HydrophobicContact CG-CE2 4.48Å; W128-F181 HydrophobicContact CH2-CB 3.8Å; W128-F181 HydrophobicContact CH2-CD2 4.13Å; W128-F181 HydrophobicContact CH2-CG 4.32Å; W128-F181 HydrophobicContact CZ3-CB 3.31Å; W128-F181 AromaticContact CZ3-CD2 3.64Å; W128-F181 HydrophobicContact CZ3-CD2 3.64Å; W128-F181 AromaticContact CZ3-CG 3.62Å; W128-F181 HydrophobicContact CZ3-CG 3.62Å | ||
| 129 | E | 91 | Very high | 94.7 | Very high | 178 Ų | 178 | 43 Ų | 43 | 83% | 0.832 | 23% | 0.231 | S | C | * | . | trans | -115.9 | 139.7 | 172.7 | -65.3 | -173.5 | 168.6 | 0 | 0 | 111.9 | D127 | D127-E129 PolarHBondContact O-N 2.65Š| ||
| 130 | G | 90.3 | Very high | 95 | Very high | 29 Ų | 29 | 38 Ų | 38 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 82.4 | -165.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 131 | Y | 92.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | trans | -94.6 | -10.6 | -169.2 | -52.4 | -2.7 | 0 | 0 | 0 | 111.7 | E112 N114 P115 F117 Q118 R206 | E112-Y131 WeakPolarHBondContact CB-O 3.33Å; E112-Y131 WeakPolarHBondContact O-CD2 3.42Å; N114-Y131 WeakPolarHBondContact O-CD2 3.2Å; P115-Y131 VanDerWaalsContact CA-CE2 3.5Å; P115-Y131 HydrophobicContact CB-CE1 4.24Å; P115-Y131 HydrophobicContact CB-CE2 3.88Å; F117-Y131 WeakPolarHBondContact CB-O 3.39Å; Q118-Y131 HydrophobicContact CB-CD1 4.02Å; Q118-Y131 HydrophobicContact CB-CE1 4.19Å; Y131-R206 HydrophobicContact CE2-CG 3.92Å; Y131-R206 VanDerWaalsContact CG-CZ 3.45Å; Y131-R206 VanDerWaalsContact CG-NH1 3.26Å | ||
| 132 | G | 95.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 21% | 0.206 | C | C | . | . | trans | 71.1 | -146.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E112 N177 | E112-G132 WeakPolarHBondContact CB-O 3.34Å; E112-G132 PolarHBondContact N-O 2.95Å; G132-N177 VanDerWaalsContact CA-OD1 3.31Å; G132-N177 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 133 | Y | 97.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.6 | -169.7 | -61.9 | -79.6 | 0 | 0 | 0 | 111.8 | I109 G110 L111 Q173 N177 L180 L187 E189 | I109-Y133 VanDerWaalsContact CD1-CB 3.49Å; I109-Y133 HydrophobicContact CD1-CG 4.43Å; I109-Y133 HydrophobicContact CG2-CD1 3.64Å; I109-Y133 HydrophobicContact CG2-CD2 4.49Å; I109-Y133 HydrophobicContact CG2-CE1 4.33Å; I109-Y133 HydrophobicContact CG2-CG 3.76Å; G110-Y133 WeakPolarHBondContact O-CA 3.46Å; L111-Y133 HydrophobicContact CD2-CD1 4.13Å; L111-Y133 HydrophobicContact CD2-CE1 3.66Å; L111-Y133 HydrophobicContact CG-CE1 4.45Å; Y133-Q173 VanDerWaalsContact O-CD 3.3Å; Y133-Q173 WeakPolarHBondContact O-CG 3.48Å; Y133-Q173 PolarHBondContact O-NE2 3.38Å; Y133-N177 PolarHBondContact N-OD1 3.1Å; Y133-N177 PolarHBondContact O-ND2 2.84Å; Y133-L180 HydrophobicContact CD2-CD1 4.42Å; Y133-L187 HydrophobicContact CD1-CD1 4.47Å; Y133-L187 HydrophobicContact CE1-CD1 4.04Å; Y133-L187 HydrophobicContact CE1-CD2 4.25Å; Y133-L187 HydrophobicContact CE2-CD1 4.28Å; Y133-L187 HydrophobicContact CE2-CD2 3.91Å; Y133-L187 VanDerWaalsContact CZ-CD2 3.5Å; Y133-L187 WeakPolarHBondContact OH-CD2 3.17Å; Y133-E189 HydrophobicContact CE1-CG 4.14Å; Y133-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y133-E189 PolarHBondContact OH-OE2 3.07Å |
| 134 | N | 97.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.9 | 174.1 | -174.1 | -81.9 | 0 | 0 | 0 | 110 | I109 G110 E112 G136 Q173 N195 Q197 | I109-N134 WeakPolarHBondContact CG1-O 3.4Å; G110-N134 PolarHBondContact O-N 2.92Å; E112-N134 HydrophobicContact CB-CB 4.47Å; E112-N134 WeakPolarHBondContact OE2-CB 3.31Å; E112-N134 PolarHBondContact OE2-ND2 3.05Å; N134-G136 PolarHBondContact OD1-N 3.18Å; N134-Q173 PolarHBondContact ND2-OE1 3.47Å; N134-N195 PolarHBondContact O-ND2 3.49Å; N134-N195 PolarHBondContact OD1-ND2 3.42Å; N134-Q197 HydrophobicContact CB-CG 4.5Å |
| 135 | N | 96.5 | Very high | 96 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 18.2 | -172.8 | 79 | -15.1 | 0 | 0 | 0 | 114.2 | K64 I109 V137 L138 E172 L176 | K64-N135 PolarHBondContact NZ-ND2 3.49Å; K64-N135 PolarHBondContact NZ-O 3.21Å; K64-N135 PolarHBondContact NZ-OD1 2.77Å; I109-N135 HydrophobicContact CD1-CB 3.97Å; N135-V137 PolarHBondContact O-N 2.93Å; N135-L138 HydrophobicContact CB-CD1 4.24Å; N135-L138 HydrophobicContact CB-CD2 3.96Å; N135-L138 HydrophobicContact CB-CG 4.24Å; N135-E172 VanDerWaalsContact ND2-CD 3.25Å; N135-E172 VanDerWaalsContact ND2-CG 3.29Å; N135-E172 WeakPolarHBondContact ND2-CG 3.42Å; N135-E172 PolarHBondContact ND2-OE1 2.86Å; N135-L176 HydrophobicContact CB-CD1 3.6Å; N135-L176 WeakPolarHBondContact ND2-CD1 3.5Å |
| 136 | G | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -30.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L81 D82 I85 N134 | L81-G136 CarbonylContact C-O 3.5Å; L81-G136 WeakPolarHBondContact CA-O 3.38Å; D82-G136 PolarHBondContact N-O 3.02Å; D82-G136 VanDerWaalsContact OD2-CA 3.26Å; D82-G136 WeakPolarHBondContact OD2-CA 3.49Å; I85-G136 WeakPolarHBondContact CD1-O 3.42Å; N134-G136 PolarHBondContact OD1-N 3.18Å |
| 137 | V | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.5 | 170.7 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | V80 L81 I85 L94 N135 L139 I190 W194 N195 | V80-V137 WeakPolarHBondContact O-CA 3.46Å; L81-V137 HydrophobicContact CD2-CB 4.41Å; L81-V137 HydrophobicContact CD2-CG1 4.06Å; L81-V137 HydrophobicContact CD2-CG2 3.87Å; I85-V137 HydrophobicContact CD1-CG2 3.53Å; L94-V137 HydrophobicContact CD2-CG1 3.66Å; N135-V137 PolarHBondContact O-N 2.93Å; V137-L139 HydrophobicContact CG1-CD1 4.39Å; V137-I190 HydrophobicContact CB-CD1 4.18Å; V137-I190 HydrophobicContact CG1-CD1 3.79Å; V137-W194 WeakPolarHBondContact CG2-O 3.16Å; V137-N195 HydrophobicContact CB-CB 4.11Å; V137-N195 HydrophobicContact CG2-CB 3.99Å |
| 138 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.8 | 175.4 | -57.4 | 165.6 | 0 | 0 | 0 | 111.2 | K64 I79 V80 G108 I109 N135 F140 L176 | K64-L138 HydrophobicContact CB-CD1 4.47Å; K64-L138 HydrophobicContact CD-CD1 4.19Å; I79-L138 CarbonylContact C-O 3.57Å; I79-L138 VanDerWaalsContact CA-O 3.29Å; I79-L138 WeakPolarHBondContact CA-O 3.42Å; V80-L138 HydrophobicContact CB-CB 3.95Å; V80-L138 HydrophobicContact CB-CD1 4.35Å; V80-L138 HydrophobicContact CG2-CB 4.08Å; V80-L138 PolarHBondContact N-O 2.85Å; V80-L138 PolarHBondContact O-N 2.83Å; G108-L138 CarbonylContact O-C 3.58Å; G108-L138 VanDerWaalsContact O-CA 3.28Å; G108-L138 WeakPolarHBondContact O-CA 3.37Å; I109-L138 HydrophobicContact CB-CD2 3.86Å; I109-L138 HydrophobicContact CD1-CD2 3.45Å; I109-L138 VanDerWaalsContact CD1-CD2 3.45Å; I109-L138 HydrophobicContact CG1-CD2 3.58Å; N135-L138 HydrophobicContact CB-CD1 4.24Å; N135-L138 HydrophobicContact CB-CD2 3.96Å; N135-L138 HydrophobicContact CB-CG 4.24Å; L138-F140 HydrophobicContact CB-CD1 4.16Å; L138-F140 HydrophobicContact CB-CE1 4.15Å; L138-F140 HydrophobicContact CD1-CE1 4.05Å; L138-F140 HydrophobicContact CD1-CZ 4.16Å; L138-F140 HydrophobicContact CD2-CE1 4.38Å; L138-F140 HydrophobicContact CG-CE1 4.45Å; L138-L176 HydrophobicContact CD1-CD1 4.06Å; L138-L176 HydrophobicContact CD2-CD1 4.4Å |
| 139 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.7 | 166.9 | -82.9 | 61.8 | 0 | 0 | 0 | 107.9 | I79 L94 H97 F98 F101 I107 G108 V137 I190 | I79-L139 HydrophobicContact CG1-CD1 4.29Å; I79-L139 HydrophobicContact CG1-CG 4.2Å; I79-L139 HydrophobicContact CG2-CD1 4.49Å; L94-L139 HydrophobicContact CD1-CD1 3.69Å; L94-L139 HydrophobicContact CD1-CD2 4.19Å; L94-L139 HydrophobicContact CD2-CD1 4.05Å; L94-L139 HydrophobicContact CG-CD1 3.83Å; H97-L139 HydrophobicContact CB-CD2 3.73Å; F98-L139 HydrophobicContact CD1-CB 4.43Å; F98-L139 HydrophobicContact CD2-CD2 4.34Å; F98-L139 HydrophobicContact CE1-CB 3.7Å; F98-L139 HydrophobicContact CE1-CG 4.31Å; F98-L139 HydrophobicContact CE2-CB 4.2Å; F98-L139 HydrophobicContact CE2-CD2 4.28Å; F98-L139 HydrophobicContact CE2-CG 3.97Å; F98-L139 HydrophobicContact CG-CD2 4.5Å; F98-L139 HydrophobicContact CZ-CB 3.56Å; F98-L139 HydrophobicContact CZ-CD2 4.39Å; F98-L139 HydrophobicContact CZ-CG 3.85Å; F101-L139 HydrophobicContact CE1-CD2 4.28Å; F101-L139 HydrophobicContact CZ-CB 3.85Å; F101-L139 HydrophobicContact CZ-CD2 4.34Å; I107-L139 CarbonylContact C-O 3.56Å; I107-L139 WeakPolarHBondContact CA-O 3.16Å; G108-L139 PolarHBondContact N-O 2.81Å; G108-L139 PolarHBondContact O-N 2.79Å; V137-L139 HydrophobicContact CG1-CD1 4.39Å; L139-I190 HydrophobicContact CD1-CG2 4.21Å; L139-I190 HydrophobicContact CD2-CG2 4.28Å |
| 140 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.9 | 176.8 | -86.2 | 14.2 | 0 | 0 | 0 | 110.3 | K64 L67 K77 V78 I107 L138 L142 I145 W150 L176 | K64-F140 WeakPolarHBondContact O-CE2 3.37Å; L67-F140 HydrophobicContact CB-CD2 4.42Å; L67-F140 HydrophobicContact CD1-CD2 3.79Å; L67-F140 HydrophobicContact CD1-CE2 4.11Å; K77-F140 CarbonylContact C-O 3.51Å; K77-F140 VanDerWaalsContact CA-O 3.29Å; K77-F140 WeakPolarHBondContact CA-O 3.47Å; V78-F140 HydrophobicContact CG1-CB 3.83Å; V78-F140 PolarHBondContact N-O 2.9Å; V78-F140 PolarHBondContact O-N 2.93Å; I107-F140 HydrophobicContact CB-CD1 4.38Å; I107-F140 HydrophobicContact CB-CE1 4.24Å; I107-F140 HydrophobicContact CD1-CE1 4.14Å; I107-F140 HydrophobicContact CG1-CD1 3.94Å; I107-F140 HydrophobicContact CG1-CE1 3.74Å; I107-F140 HydrophobicContact CG2-CD1 4.11Å; I107-F140 HydrophobicContact CG2-CE1 3.69Å; L138-F140 HydrophobicContact CB-CD1 4.16Å; L138-F140 HydrophobicContact CB-CE1 4.15Å; L138-F140 HydrophobicContact CD1-CE1 4.05Å; L138-F140 HydrophobicContact CD1-CZ 4.16Å; L138-F140 HydrophobicContact CD2-CE1 4.38Å; L138-F140 HydrophobicContact CG-CE1 4.45Å; F140-L142 VanDerWaalsContact C-N 3.27Å; F140-L142 HydrophobicContact CB-CD2 3.91Å; F140-L142 HydrophobicContact CB-CG 4.34Å; F140-L142 HydrophobicContact CD2-CD2 4.09Å; F140-L142 PolarHBondContact O-N 3.21Å; F140-L142 VanDerWaalsContact O-N 3.11Å; F140-I145 HydrophobicContact CB-CD1 3.88Å; F140-I145 HydrophobicContact CD1-CD1 3.93Å; F140-I145 HydrophobicContact CD2-CD1 3.84Å; F140-I145 HydrophobicContact CE1-CD1 4.41Å; F140-I145 HydrophobicContact CE2-CD1 4.33Å; F140-I145 HydrophobicContact CG-CD1 3.61Å; F140-W150 HydrophobicContact CE2-CZ2 4.22Å; F140-W150 HydrophobicContact CZ-CH2 4.32Å; F140-W150 HydrophobicContact CZ-CZ2 4.06Å; F140-L176 HydrophobicContact CE1-CD2 4.46Å; F140-L176 HydrophobicContact CZ-CD2 4.14Å |
| 141 | D | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | trans | -81.4 | 81.9 | 163.1 | -167.9 | -33.2 | 0 | 0 | 0 | 108.1 | S76 K77 F98 F101 S106 S143 K144 I145 | S76-D141 CarbonylContact O-C 3.37Å; K77-D141 VanDerWaalsContact CE-OD2 3.28Å; K77-D141 WeakPolarHBondContact CE-OD2 3.13Å; K77-D141 HydrophobicContact CG-CB 4.35Å; F98-D141 HydrophobicContact CD1-CB 4.41Å; F98-D141 HydrophobicContact CE1-CB 4.24Å; F101-D141 HydrophobicContact CD2-CB 4.28Å; F101-D141 HydrophobicContact CE2-CB 4.24Å; S106-D141 PolarHBondContact O-N 3.18Å; D141-S143 PolarHBondContact O-N 2.97Å; D141-S143 VanDerWaalsContact O-N 3.14Å; D141-S143 WeakPolarHBondContact OD1-CB 3.48Å; D141-S143 PolarHBondContact OD1-N 3.26Å; D141-S143 PolarHBondContact OD1-OG 3.4Å; D141-K144 HydrophobicContact CB-CB 4.29Å; D141-K144 HydrophobicContact CB-CD 4.13Å; D141-K144 HydrophobicContact CB-CG 4.36Å; D141-K144 PolarHBondContact O-N 2.98Å; D141-K144 PolarHBondContact OD1-N 2.81Å; D141-K144 IonicContact OD2-NZ 3.86Å; D141-I145 WeakPolarHBondContact O-CG1 3.38Å; D141-I145 PolarHBondContact O-N 2.85Å | ||
| 142 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -27.8 | -179.4 | -59.2 | 175.5 | 0 | 0 | 0 | 112.4 | L67 L71 I75 S76 V78 F140 R146 | L67-L142 HydrophobicContact CB-CD2 4.14Å; L71-L142 HydrophobicContact CB-CD1 4.37Å; L71-L142 HydrophobicContact CD1-CD1 3.78Å; I75-L142 HydrophobicContact CB-CD1 4.5Å; I75-L142 HydrophobicContact CG2-CD1 3.99Å; S76-L142 CarbonylContact O-C 3.26Å; S76-L142 WeakPolarHBondContact O-CA 3.4Å; S76-L142 WeakPolarHBondContact O-CB 3.24Å; S76-L142 PolarHBondContact O-N 3.37Å; V78-L142 HydrophobicContact CB-CD1 4.29Å; V78-L142 HydrophobicContact CG1-CD1 3.82Å; V78-L142 HydrophobicContact CG1-CD2 4.22Å; V78-L142 HydrophobicContact CG1-CG 3.99Å; F140-L142 VanDerWaalsContact C-N 3.27Å; F140-L142 HydrophobicContact CB-CD2 3.91Å; F140-L142 HydrophobicContact CB-CG 4.34Å; F140-L142 HydrophobicContact CD2-CD2 4.09Å; F140-L142 PolarHBondContact O-N 3.21Å; F140-L142 VanDerWaalsContact O-N 3.11Å; L142-R146 VanDerWaalsContact O-CB 3.24Å; L142-R146 WeakPolarHBondContact O-CB 3.16Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 3.1Å |
| 143 | S | 97.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.9 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | S76 D141 L147 | S76-S143 PolarHBondContact O-N 3.43Å; D141-S143 PolarHBondContact O-N 2.97Å; D141-S143 VanDerWaalsContact O-N 3.14Å; D141-S143 WeakPolarHBondContact OD1-CB 3.48Å; D141-S143 PolarHBondContact OD1-N 3.26Å; D141-S143 PolarHBondContact OD1-OG 3.4Å; S143-L147 WeakPolarHBondContact O-CG 3.44Å |
| 144 | K | 97.9 | Very high | 97.3 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 21% | 0.213 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.9 | -46.4 | 174.1 | -67 | 176.1 | 178.3 | 170.5 | 0 | 112.1 | S102 Q105 D141 R146 L147 | S102-K144 PolarHBondContact O-NZ 2.94Å; Q105-K144 WeakPolarHBondContact O-CD 3.26Å; Q105-K144 PolarHBondContact O-NZ 2.87Å; D141-K144 HydrophobicContact CB-CB 4.29Å; D141-K144 HydrophobicContact CB-CD 4.13Å; D141-K144 HydrophobicContact CB-CG 4.36Å; D141-K144 PolarHBondContact O-N 2.98Å; D141-K144 PolarHBondContact OD1-N 2.81Å; D141-K144 IonicContact OD2-NZ 3.86Å; K144-R146 VanDerWaalsContact C-N 3.31Å; K144-R146 PolarHBondContact O-N 3.21Å; K144-L147 WeakPolarHBondContact O-CB 3.4Å; K144-L147 PolarHBondContact O-N 2.87Å |
| 145 | I | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | -177.7 | -64.4 | 177.1 | 0 | 0 | 0 | 110.9 | T68 I107 F140 D141 L147 T148 W150 | T68-I145 HydrophobicContact CG2-CB 4.44Å; T68-I145 HydrophobicContact CG2-CG2 3.67Å; I107-I145 HydrophobicContact CD1-CD1 4.35Å; I107-I145 HydrophobicContact CG1-CD1 3.73Å; I107-I145 HydrophobicContact CG1-CG1 4.37Å; F140-I145 HydrophobicContact CB-CD1 3.88Å; F140-I145 HydrophobicContact CD1-CD1 3.93Å; F140-I145 HydrophobicContact CD2-CD1 3.84Å; F140-I145 HydrophobicContact CE1-CD1 4.41Å; F140-I145 HydrophobicContact CE2-CD1 4.33Å; F140-I145 HydrophobicContact CG-CD1 3.61Å; D141-I145 WeakPolarHBondContact O-CG1 3.38Å; D141-I145 PolarHBondContact O-N 2.85Å; I145-L147 PolarHBondContact O-N 3.33Å; I145-T148 WeakPolarHBondContact O-CB 3.27Å; I145-T148 PolarHBondContact O-N 2.94Å; I145-T148 PolarHBondContact O-OG1 2.98Å; I145-W150 HydrophobicContact CG2-CB 3.48Å; I145-W150 VanDerWaalsContact CG2-CB 3.48Å; I145-W150 HydrophobicContact CG2-CD2 3.63Å; I145-W150 HydrophobicContact CG2-CE3 4.11Å; I145-W150 HydrophobicContact CG2-CG 3.31Å |
| 146 | R | 96.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.4 | 177.5 | -72.8 | 178.2 | -171.7 | 123.2 | -6.1 | 114.5 | T68 L71 P72 I75 L142 K144 T148 | T68-R146 HydrophobicContact CG2-CG 3.9Å; L71-R146 PolarHBondContact O-NH2 2.97Å; L71-R146 VanDerWaalsContact O-NH2 3.1Å; P72-R146 PolarHBondContact O-NH2 3.49Å; I75-R146 PolarHBondContact O-NH1 2.86Å; I75-R146 PolarHBondContact O-NH2 3.04Å; L142-R146 VanDerWaalsContact O-CB 3.24Å; L142-R146 WeakPolarHBondContact O-CB 3.16Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 3.1Å; K144-R146 VanDerWaalsContact C-N 3.31Å; K144-R146 PolarHBondContact O-N 3.21Å; R146-T148 VanDerWaalsContact C-N 3.3Å |
| 147 | L | 96 | Very high | 97.3 | Very high | 156 Ų | 156 | 39.4 Ų | 39.4 | 82% | 0.817 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.9 | 173.9 | -62.2 | 173.5 | 0 | 0 | 0 | 112.6 | S143 K144 I145 | S143-L147 WeakPolarHBondContact O-CG 3.44Å; K144-L147 WeakPolarHBondContact O-CB 3.4Å; K144-L147 PolarHBondContact O-N 2.87Å; I145-L147 PolarHBondContact O-N 3.33Å |
| 148 | T | 94.2 | Very high | 97.3 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 178.6 | 172.9 | 77.3 | 0 | 0 | 0 | 0 | 110.4 | I145 R146 W150 | I145-T148 WeakPolarHBondContact O-CB 3.27Å; I145-T148 PolarHBondContact O-N 2.94Å; I145-T148 PolarHBondContact O-OG1 2.98Å; R146-T148 VanDerWaalsContact C-N 3.3Å; T148-W150 PolarHBondContact O-N 3.21Å; T148-W150 WeakPolarHBondContact OG1-CB 3.3Å; T148-W150 PolarHBondContact OG1-N 2.89Å |
| 149 | L | 95.6 | Very high | 97.2 | Very high | 116 Ų | 116 | 46 Ų | 46 | 61% | 0.607 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | 41.3 | 170.3 | -64.5 | 174.1 | 0 | 0 | 0 | 111.5 | N151 E152 L153 | L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 3.38Å; L149-E152 VanDerWaalsContact C-OE2 3.3Å; L149-E152 WeakPolarHBondContact CA-OE2 3.35Å; L149-E152 HydrophobicContact CB-CB 4.32Å; L149-E152 PolarHBondContact O-N 2.88Å; L149-E152 VanDerWaalsContact O-N 3.14Å; L149-L153 HydrophobicContact CB-CG 4.33Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.31Å |
| 150 | W | 97.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51 | -47.1 | -168 | 172.6 | -106.8 | 0 | 0 | 0 | 113.4 | L65 T68 I107 F140 I145 T148 L153 W154 L176 V179 | L65-W150 HydrophobicContact CB-CZ2 4.49Å; L65-W150 HydrophobicContact CD2-CH2 4.4Å; L65-W150 HydrophobicContact CD2-CZ2 3.95Å; L65-W150 PolarHBondContact O-NE1 3.47Å; T68-W150 HydrophobicContact CG2-CG 4.25Å; I107-W150 HydrophobicContact CD1-CE3 4.4Å; I107-W150 HydrophobicContact CD1-CH2 3.84Å; I107-W150 HydrophobicContact CD1-CZ3 3.56Å; F140-W150 HydrophobicContact CE2-CZ2 4.22Å; F140-W150 HydrophobicContact CZ-CH2 4.32Å; F140-W150 HydrophobicContact CZ-CZ2 4.06Å; I145-W150 HydrophobicContact CG2-CB 3.48Å; I145-W150 VanDerWaalsContact CG2-CB 3.48Å; I145-W150 HydrophobicContact CG2-CD2 3.63Å; I145-W150 HydrophobicContact CG2-CE3 4.11Å; I145-W150 HydrophobicContact CG2-CG 3.31Å; T148-W150 PolarHBondContact O-N 3.21Å; T148-W150 WeakPolarHBondContact OG1-CB 3.3Å; T148-W150 PolarHBondContact OG1-N 2.89Å; W150-L153 PolarHBondContact O-N 2.83Å; W150-W154 AromaticContact CD1-CD1 3.98Å; W150-W154 AromaticContact CE2-CD1 3.95Å; W150-W154 AromaticContact NE1-CD1 3.67Å; W150-W154 PolarHBondContact O-N 3.34Å; W150-W154 VanDerWaalsContact O-N 3.08Å; W150-L176 HydrophobicContact CH2-CD2 3.87Å; W150-L176 HydrophobicContact CZ2-CD2 4.49Å; W150-V179 HydrophobicContact CZ3-CG1 3.9Å |
| 151 | N | 96.3 | Very high | 97 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | -177.4 | -69.4 | -0.5 | 0 | 0 | 0 | 111.3 | T68 E69 L149 I155 | T68-N151 PolarHBondContact OG1-OD1 3.35Å; E69-N151 WeakPolarHBondContact CG-ND2 3.43Å; L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 3.38Å; N151-I155 WeakPolarHBondContact O-CB 3.34Å; N151-I155 VanDerWaalsContact O-CD1 3.28Å; N151-I155 WeakPolarHBondContact O-CD1 3.23Å; N151-I155 WeakPolarHBondContact O-CG1 3.34Å; N151-I155 PolarHBondContact O-N 2.71Å |
| 152 | E | 97.1 | Very high | 97 | Very high | 107 Ų | 107 | 51 Ų | 51 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.7 | -63.2 | 78.4 | -175.5 | 0 | 0 | 111.1 | L149 I155 V156 | L149-E152 VanDerWaalsContact C-OE2 3.3Å; L149-E152 WeakPolarHBondContact CA-OE2 3.35Å; L149-E152 HydrophobicContact CB-CB 4.32Å; L149-E152 PolarHBondContact O-N 2.88Å; L149-E152 VanDerWaalsContact O-N 3.14Å; E152-I155 PolarHBondContact O-N 3.14Å; E152-V156 WeakPolarHBondContact O-CB 3.12Å; E152-V156 VanDerWaalsContact O-CG2 3.25Å; E152-V156 WeakPolarHBondContact O-CG2 3.34Å; E152-V156 PolarHBondContact O-N 2.98Å |
| 153 | L | 96.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -56.8 | -178.7 | -73.7 | 172.8 | 0 | 0 | 0 | 111.4 | L149 W150 I155 V156 M157 F183 | L149-L153 HydrophobicContact CB-CG 4.33Å; L149-L153 WeakPolarHBondContact O-CB 3.48Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.31Å; W150-L153 PolarHBondContact O-N 2.83Å; L153-I155 VanDerWaalsContact C-N 3.29Å; L153-I155 PolarHBondContact O-N 2.92Å; L153-V156 PolarHBondContact O-N 3.34Å; L153-M157 WeakPolarHBondContact O-CG 2.86Å; L153-M157 PolarHBondContact O-N 3.31Å; L153-F183 HydrophobicContact CD2-CE2 3.78Å; L153-F183 HydrophobicContact CD2-CZ 3.82Å |
| 154 | W | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.4 | -34.2 | -177.1 | 77.7 | -109 | 0 | 0 | 0 | 111.6 | L48 W50 I51 L65 M66 W150 T158 I175 | L48-W154 HydrophobicContact CD2-CH2 3.88Å; L48-W154 HydrophobicContact CD2-CZ3 4.37Å; W50-W154 HydrophobicContact CZ2-CZ3 4.28Å; I51-W154 HydrophobicContact CD1-CZ3 4.16Å; L65-W154 HydrophobicContact CB-CD2 4Å; L65-W154 HydrophobicContact CB-CE3 4.48Å; L65-W154 HydrophobicContact CB-CG 4.08Å; L65-W154 HydrophobicContact CD1-CB 4.29Å; L65-W154 HydrophobicContact CD1-CD2 4.05Å; L65-W154 HydrophobicContact CD1-CE3 3.86Å; L65-W154 HydrophobicContact CD1-CG 4.24Å; L65-W154 PolarHBondContact O-NE1 2.82Å; M66-W154 HydrophobicContact CG-CZ2 4Å; W150-W154 AromaticContact CD1-CD1 3.98Å; W150-W154 AromaticContact CE2-CD1 3.95Å; W150-W154 AromaticContact NE1-CD1 3.67Å; W150-W154 PolarHBondContact O-N 3.34Å; W150-W154 VanDerWaalsContact O-N 3.08Å; W154-T158 WeakPolarHBondContact O-CB 3.45Å; W154-T158 PolarHBondContact O-N 2.93Å; W154-T158 PolarHBondContact O-OG1 3.41Å; W154-I175 HydrophobicContact CB-CG2 3.81Å |
| 155 | I | 97.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 62 Ų | 62 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175.8 | -71.1 | 169.7 | 0 | 0 | 0 | 111.2 | W50 N151 E152 L153 T158 R159 | W50-I155 HydrophobicContact CH2-CG2 4.39Å; W50-I155 HydrophobicContact CZ2-CG2 4.41Å; N151-I155 WeakPolarHBondContact O-CB 3.34Å; N151-I155 VanDerWaalsContact O-CD1 3.28Å; N151-I155 WeakPolarHBondContact O-CD1 3.23Å; N151-I155 WeakPolarHBondContact O-CG1 3.34Å; N151-I155 PolarHBondContact O-N 2.71Å; E152-I155 PolarHBondContact O-N 3.14Å; L153-I155 VanDerWaalsContact C-N 3.29Å; L153-I155 PolarHBondContact O-N 2.92Å; I155-T158 WeakPolarHBondContact O-CB 3.34Å; I155-T158 PolarHBondContact O-N 2.84Å; I155-R159 WeakPolarHBondContact O-CG 3.28Å; I155-R159 PolarHBondContact O-N 3.2Å |
| 156 | V | 97.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 178.9 | 168 | 0 | 0 | 0 | 0 | 110.5 | E152 L153 T158 R159 N160 | E152-V156 WeakPolarHBondContact O-CB 3.12Å; E152-V156 VanDerWaalsContact O-CG2 3.25Å; E152-V156 WeakPolarHBondContact O-CG2 3.34Å; E152-V156 PolarHBondContact O-N 2.98Å; L153-V156 PolarHBondContact O-N 3.34Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 3.27Å; V156-R159 PolarHBondContact O-N 3.36Å; V156-N160 VanDerWaalsContact O-CG 3.28Å; V156-N160 PolarHBondContact O-N 3.08Å |
| 157 | M | 96.9 | Very high | 96.4 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 175.6 | -67.9 | -54.3 | 162.6 | 0 | 0 | 111.7 | L153 R159 N160 V161 I175 V179 E182 F183 | L153-M157 WeakPolarHBondContact O-CG 2.86Å; L153-M157 PolarHBondContact O-N 3.31Å; M157-R159 PolarHBondContact O-N 3.31Å; M157-N160 PolarHBondContact O-N 3.21Å; M157-V161 WeakPolarHBondContact O-CG2 3.17Å; M157-V161 PolarHBondContact O-N 3.42Å; M157-I175 HydrophobicContact CB-CG2 4.24Å; M157-V179 HydrophobicContact CG-CG2 3.84Å; M157-E182 WeakPolarHBondContact CE-OE2 3.4Å; M157-F183 HydrophobicContact CE-CE2 4.16Å |
| 158 | T | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | W50 I51 W154 I155 V156 N160 V161 L162 L168 I175 | W50-T158 HydrophobicContact CH2-CG2 3.41Å; W50-T158 VanDerWaalsContact CH2-CG2 3.41Å; W50-T158 HydrophobicContact CZ2-CG2 4.35Å; W50-T158 HydrophobicContact CZ3-CG2 3.58Å; I51-T158 HydrophobicContact CD1-CG2 4.16Å; I51-T158 HydrophobicContact CG1-CG2 4.06Å; I51-T158 HydrophobicContact CG2-CG2 4.19Å; W154-T158 WeakPolarHBondContact O-CB 3.45Å; W154-T158 PolarHBondContact O-N 2.93Å; W154-T158 PolarHBondContact O-OG1 3.41Å; I155-T158 WeakPolarHBondContact O-CB 3.34Å; I155-T158 PolarHBondContact O-N 2.84Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 3.27Å; T158-N160 VanDerWaalsContact C-N 3.33Å; T158-N160 PolarHBondContact O-N 2.93Å; T158-V161 PolarHBondContact O-N 3.08Å; T158-L162 HydrophobicContact CG2-CD1 4.09Å; T158-L162 HydrophobicContact CG2-CG 4.39Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.2Å; T158-L162 PolarHBondContact O-N 3.48Å; T158-L168 HydrophobicContact CG2-CD1 4.28Å; T158-I175 HydrophobicContact CG2-CD1 4.05Å; T158-I175 WeakPolarHBondContact OG1-CD1 3.49Å |
| 159 | R | 97.8 | Very high | 96.3 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 179.9 | -73.8 | 178.2 | 179.7 | 169.9 | 1.8 | 112.2 | W50 I155 V156 M157 L162 N163 | W50-R159 HydrophobicContact CH2-CG 3.88Å; W50-R159 HydrophobicContact CZ3-CG 3.64Å; I155-R159 WeakPolarHBondContact O-CG 3.28Å; I155-R159 PolarHBondContact O-N 3.2Å; V156-R159 PolarHBondContact O-N 3.36Å; M157-R159 PolarHBondContact O-N 3.31Å; R159-L162 PolarHBondContact O-N 3.35Å; R159-N163 WeakPolarHBondContact O-CB 3.31Å; R159-N163 PolarHBondContact O-N 3.31Å; R159-N163 PolarHBondContact O-ND2 3.47Å |
| 160 | N | 96.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.1 | -70.8 | -12.9 | 0 | 0 | 0 | 111.1 | V156 M157 T158 L162 N163 N164 | V156-N160 VanDerWaalsContact O-CG 3.28Å; V156-N160 PolarHBondContact O-N 3.08Å; M157-N160 PolarHBondContact O-N 3.21Å; T158-N160 VanDerWaalsContact C-N 3.33Å; T158-N160 PolarHBondContact O-N 2.93Å; N160-L162 PolarHBondContact O-N 3.4Å; N160-N163 PolarHBondContact O-N 3.41Å; N160-N164 WeakPolarHBondContact O-CB 3.09Å; N160-N164 PolarHBondContact O-N 3.49Å; N160-N164 PolarHBondContact O-ND2 2.99Å |
| 161 | V | 96.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | L124 M157 T158 N163 N164 H165 L168 L178 | L124-V161 HydrophobicContact CD2-CG1 3.92Å; M157-V161 WeakPolarHBondContact O-CG2 3.17Å; M157-V161 PolarHBondContact O-N 3.42Å; T158-V161 PolarHBondContact O-N 3.08Å; V161-N163 VanDerWaalsContact C-N 3.33Å; V161-N163 PolarHBondContact O-N 2.95Å; V161-N164 PolarHBondContact O-N 3.43Å; V161-H165 HydrophobicContact CG1-CB 4.5Å; V161-H165 WeakPolarHBondContact O-CB 3.42Å; V161-H165 PolarHBondContact O-CD2 2.96Å; V161-H165 PolarHBondContact O-N 3.16Å; V161-L168 HydrophobicContact CB-CD2 3.97Å; V161-L168 HydrophobicContact CG1-CD2 3.58Å; V161-L168 HydrophobicContact CG1-CG 4.4Å; V161-L168 HydrophobicContact CG2-CD2 4.38Å; V161-L178 HydrophobicContact CG2-CD1 3.29Å |
| 162 | L | 97.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 179 | -66.4 | -177.1 | 0 | 0 | 0 | 112.7 | W50 N52 T158 R159 N160 G166 L168 | W50-L162 HydrophobicContact CE3-CD1 3.87Å; W50-L162 HydrophobicContact CZ3-CD1 3.75Å; N52-L162 HydrophobicContact CB-CD2 4.05Å; N52-L162 WeakPolarHBondContact O-CD2 3.37Å; T158-L162 HydrophobicContact CG2-CD1 4.09Å; T158-L162 HydrophobicContact CG2-CG 4.39Å; T158-L162 VanDerWaalsContact O-CG 3.29Å; T158-L162 WeakPolarHBondContact O-CG 3.2Å; T158-L162 PolarHBondContact O-N 3.48Å; R159-L162 PolarHBondContact O-N 3.35Å; N160-L162 PolarHBondContact O-N 3.4Å; L162-G166 WeakPolarHBondContact O-CA 3.32Å; L162-G166 PolarHBondContact O-N 3.35Å; L162-L168 HydrophobicContact CD2-CG 4.37Å |
| 163 | N | 96.7 | Very high | 96.2 | Very high | 132 Ų | 132 | 45.3 Ų | 45.3 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.9 | -35.5 | 176.3 | -71.9 | -21.1 | 0 | 0 | 0 | 112.3 | R159 N160 V161 | R159-N163 WeakPolarHBondContact O-CB 3.31Å; R159-N163 PolarHBondContact O-N 3.31Å; R159-N163 PolarHBondContact O-ND2 3.47Å; N160-N163 PolarHBondContact O-N 3.41Å; V161-N163 VanDerWaalsContact C-N 3.33Å; V161-N163 PolarHBondContact O-N 2.95Å |
| 164 | N | 95 | Very high | 96.2 | Very high | 126 Ų | 126 | 43.4 Ų | 43.4 | 67% | 0.674 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -87 | -37.7 | -176.3 | -68.5 | -13.6 | 0 | 0 | 0 | 113.2 | N160 V161 | N160-N164 WeakPolarHBondContact O-CB 3.09Å; N160-N164 PolarHBondContact O-N 3.49Å; N160-N164 PolarHBondContact O-ND2 2.99Å; V161-N164 PolarHBondContact O-N 3.43Å |
| 165 | H | 93.4 | Very high | 96.2 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 36% | 0.361 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -117 | -15.7 | -171.7 | -56.9 | -77.8 | 0 | 0 | 0 | 113.7 | K123 V161 Y167 | K123-H165 PolarHBondContact O-CE1 3.23Å; K123-H165 PolarHBondContact O-NE2 3.26Å; V161-H165 HydrophobicContact CG1-CB 4.5Å; V161-H165 WeakPolarHBondContact O-CB 3.42Å; V161-H165 PolarHBondContact O-CD2 2.96Å; V161-H165 PolarHBondContact O-N 3.16Å; H165-Y167 VanDerWaalsContact O-CD1 3.28Å; H165-Y167 WeakPolarHBondContact O-CD1 3.32Å; H165-Y167 WeakPolarHBondContact O-CE1 3.48Å; H165-Y167 PolarHBondContact O-N 3.46Å |
| 166 | G | 95.3 | Very high | 96.2 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 38% | 0.381 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 80.4 | -18.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N52 L162 | N52-G166 PolarHBondContact ND2-O 3.5Å; L162-G166 WeakPolarHBondContact O-CA 3.32Å; L162-G166 PolarHBondContact O-N 3.35Å |
| 167 | Y | 95.2 | Very high | 96.2 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 26% | 0.255 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -157 | 159.2 | -179.2 | 60.7 | -86.3 | 0 | 0 | 0 | 111.8 | N52 R54 H165 I169 | N52-Y167 CarbonylContact O-C 3.59Å; N52-Y167 VanDerWaalsContact O-CA 3.31Å; N52-Y167 WeakPolarHBondContact O-CA 3.43Å; R54-Y167 HydrophobicContact CB-CD2 4.47Å; R54-Y167 VanDerWaalsContact CD-CD2 3.45Å; R54-Y167 HydrophobicContact CG-CD2 3.59Å; R54-Y167 HydrophobicContact CG-CE2 4.09Å; R54-Y167 HydrophobicContact CG-CG 4.15Å; R54-Y167 VanDerWaalsContact CZ-OH 3.32Å; R54-Y167 VanDerWaalsContact NE-CD2 3.35Å; R54-Y167 PolarHBondContact NH1-OH 2.94Å; R54-Y167 PolarHBondContact NH2-OH 3.33Å; H165-Y167 VanDerWaalsContact O-CD1 3.28Å; H165-Y167 WeakPolarHBondContact O-CD1 3.32Å; H165-Y167 WeakPolarHBondContact O-CE1 3.48Å; H165-Y167 PolarHBondContact O-N 3.46Å; Y167-I169 HydrophobicContact CD2-CG1 4.48Å; Y167-I169 HydrophobicContact CE2-CG1 3.96Å |
| 168 | L | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -86.7 | 135.9 | 166.4 | -64.3 | 160.7 | 0 | 0 | 0 | 110 | I51 N52 R54 F62 T158 V161 L162 D174 I175 | I51-L168 HydrophobicContact CG2-CD1 3.59Å; N52-L168 PolarHBondContact O-N 3.17Å; R54-L168 PolarHBondContact N-O 2.99Å; F62-L168 HydrophobicContact CE1-CD1 3.5Å; F62-L168 HydrophobicContact CZ-CD1 3.44Å; F62-L168 VanDerWaalsContact CZ-CD1 3.44Å; T158-L168 HydrophobicContact CG2-CD1 4.28Å; V161-L168 HydrophobicContact CB-CD2 3.97Å; V161-L168 HydrophobicContact CG1-CD2 3.58Å; V161-L168 HydrophobicContact CG1-CG 4.4Å; V161-L168 HydrophobicContact CG2-CD2 4.38Å; L162-L168 HydrophobicContact CD2-CG 4.37Å; L168-D174 WeakPolarHBondContact CA-OD2 3.26Å; L168-D174 WeakPolarHBondContact CB-OD2 3.31Å; L168-D174 HydrophobicContact CD2-CB 3.85Å; L168-I175 HydrophobicContact CD1-CD1 3.9Å; L168-I175 HydrophobicContact CD1-CG1 4.38Å; L168-I175 HydrophobicContact CD2-CD1 4.47Å; L168-I175 HydrophobicContact CD2-CG1 4.07Å |
| 169 | I | 93.2 | Very high | 96.2 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.4 | -52.4 | 180 | -57.5 | 170.2 | 0 | 0 | 0 | 109.6 | V120 K123 Y167 D174 | V120-I169 HydrophobicContact CG1-CB 4.03Å; V120-I169 HydrophobicContact CG1-CD1 3.88Å; V120-I169 HydrophobicContact CG1-CG2 3.83Å; K123-I169 HydrophobicContact CB-CD1 4.3Å; K123-I169 HydrophobicContact CD-CD1 4.04Å; Y167-I169 HydrophobicContact CD2-CG1 4.48Å; Y167-I169 HydrophobicContact CE2-CG1 3.96Å; I169-D174 PolarHBondContact N-OD2 3.38Å |
| 170 | T | 93.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -114 | 16.3 | -177.6 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | F117 V120 D174 | F117-T170 HydrophobicContact CE1-CG2 3.58Å; F117-T170 HydrophobicContact CZ-CG2 3.68Å; V120-T170 HydrophobicContact CG1-CG2 4.08Å; T170-D174 WeakPolarHBondContact CB-OD1 3.29Å; T170-D174 PolarHBondContact N-OD1 3.17Å; T170-D174 PolarHBondContact N-OD2 2.65Å; T170-D174 PolarHBondContact OG1-N 3.37Å; T170-D174 PolarHBondContact OG1-OD1 3.49Å |
| 171 | G | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -130.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S53 F62 Q173 D174 | S53-G171 WeakPolarHBondContact OG-CA 3.31Å; F62-G171 VanDerWaalsContact CZ-C 3.5Å; G171-Q173 PolarHBondContact O-N 3.06Å; G171-D174 PolarHBondContact N-OD2 3.23Å; G171-D174 WeakPolarHBondContact O-CB 3.3Å; G171-D174 PolarHBondContact O-N 3.11Å |
| 172 | E | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.9 | -21.6 | 179.8 | 87.1 | -65.9 | -178.5 | 0 | 0 | 112.9 | P61 F62 K64 L65 N135 D174 I175 L176 | P61-E172 HydrophobicContact CB-CG 4.19Å; P61-E172 WeakPolarHBondContact CB-OE1 3.29Å; P61-E172 WeakPolarHBondContact CB-OE2 3.19Å; F62-E172 HydrophobicContact CB-CB 4.48Å; F62-E172 HydrophobicContact CD1-CB 3.8Å; F62-E172 HydrophobicContact CD2-CB 4.25Å; F62-E172 HydrophobicContact CE1-CB 4.02Å; F62-E172 HydrophobicContact CE2-CB 4.44Å; F62-E172 HydrophobicContact CG-CB 3.93Å; F62-E172 HydrophobicContact CZ-CB 4.32Å; K64-E172 HydrophobicContact CD-CG 4.39Å; K64-E172 IonicContact NZ-OE1 2.65Å; K64-E172 PolarHBondContact NZ-OE1 3.27Å; L65-E172 HydrophobicContact CD1-CB 3.98Å; L65-E172 HydrophobicContact CG-CB 4.15Å; N135-E172 VanDerWaalsContact ND2-CD 3.25Å; N135-E172 VanDerWaalsContact ND2-CG 3.29Å; N135-E172 WeakPolarHBondContact ND2-CG 3.42Å; N135-E172 PolarHBondContact ND2-OE1 2.86Å; E172-D174 VanDerWaalsContact C-N 3.3Å; E172-D174 PolarHBondContact O-N 3.29Å; E172-I175 PolarHBondContact O-N 2.94Å; E172-L176 PolarHBondContact O-N 3.11Å |
| 173 | Q | 96.8 | Very high | 96 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 171.9 | 178.2 | 164 | -44.8 | 0 | 0 | 111.2 | E112 Y133 N134 G171 I175 L176 N177 | E112-Q173 PolarHBondContact OE2-NE2 2.72Å; Y133-Q173 VanDerWaalsContact O-CD 3.3Å; Y133-Q173 WeakPolarHBondContact O-CG 3.48Å; Y133-Q173 PolarHBondContact O-NE2 3.38Å; N134-Q173 PolarHBondContact ND2-OE1 3.47Å; G171-Q173 PolarHBondContact O-N 3.06Å; Q173-I175 VanDerWaalsContact C-N 3.32Å; Q173-I175 PolarHBondContact O-N 3.07Å; Q173-L176 PolarHBondContact O-N 3.09Å; Q173-N177 WeakPolarHBondContact CG-ND2 3.2Å; Q173-N177 VanDerWaalsContact O-CB 3.31Å; Q173-N177 WeakPolarHBondContact O-CB 3.38Å; Q173-N177 PolarHBondContact O-N 3.14Å; Q173-N177 PolarHBondContact O-ND2 3.21Å |
| 174 | D | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 173.2 | -65.9 | -19.6 | 0 | 0 | 0 | 110.8 | L124 L168 I169 T170 G171 E172 N177 L178 | L124-D174 HydrophobicContact CD1-CB 3.58Å; L168-D174 WeakPolarHBondContact CA-OD2 3.26Å; L168-D174 WeakPolarHBondContact CB-OD2 3.31Å; L168-D174 HydrophobicContact CD2-CB 3.85Å; I169-D174 PolarHBondContact N-OD2 3.38Å; T170-D174 WeakPolarHBondContact CB-OD1 3.29Å; T170-D174 PolarHBondContact N-OD1 3.17Å; T170-D174 PolarHBondContact N-OD2 2.65Å; T170-D174 PolarHBondContact OG1-N 3.37Å; T170-D174 PolarHBondContact OG1-OD1 3.49Å; G171-D174 PolarHBondContact N-OD2 3.23Å; G171-D174 WeakPolarHBondContact O-CB 3.3Å; G171-D174 PolarHBondContact O-N 3.11Å; E172-D174 VanDerWaalsContact C-N 3.3Å; E172-D174 PolarHBondContact O-N 3.29Å; D174-N177 PolarHBondContact O-N 3.48Å; D174-L178 VanDerWaalsContact O-CG 3.31Å; D174-L178 WeakPolarHBondContact O-CG 3.34Å; D174-L178 PolarHBondContact O-N 3.25Å |
| 175 | I | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | -177.1 | -61.8 | 158.7 | 0 | 0 | 0 | 111.2 | F62 L65 W154 M157 T158 L168 E172 Q173 N177 L178 V179 | F62-I175 HydrophobicContact CD1-CD1 3.95Å; F62-I175 HydrophobicContact CE1-CD1 3.46Å; F62-I175 VanDerWaalsContact CE1-CD1 3.46Å; L65-I175 HydrophobicContact CD1-CB 4.16Å; L65-I175 HydrophobicContact CD1-CD1 3.82Å; L65-I175 HydrophobicContact CD1-CG2 3.98Å; W154-I175 HydrophobicContact CB-CG2 3.81Å; M157-I175 HydrophobicContact CB-CG2 4.24Å; T158-I175 HydrophobicContact CG2-CD1 4.05Å; T158-I175 WeakPolarHBondContact OG1-CD1 3.49Å; L168-I175 HydrophobicContact CD1-CD1 3.9Å; L168-I175 HydrophobicContact CD1-CG1 4.38Å; L168-I175 HydrophobicContact CD2-CD1 4.47Å; L168-I175 HydrophobicContact CD2-CG1 4.07Å; E172-I175 PolarHBondContact O-N 2.94Å; Q173-I175 VanDerWaalsContact C-N 3.32Å; Q173-I175 PolarHBondContact O-N 3.07Å; I175-N177 VanDerWaalsContact C-N 3.31Å; I175-N177 PolarHBondContact O-N 2.97Å; I175-L178 PolarHBondContact O-N 3.16Å; I175-V179 HydrophobicContact CG2-CG2 4.34Å; I175-V179 VanDerWaalsContact O-CG2 3.31Å; I175-V179 WeakPolarHBondContact O-CG2 3.15Å; I175-V179 PolarHBondContact O-N 2.99Å |
| 176 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 176.4 | -82.3 | 161.3 | 0 | 0 | 0 | 111.2 | L65 N135 L138 F140 W150 E172 Q173 V179 L180 | L65-L176 HydrophobicContact CD2-CD1 4.06Å; L65-L176 HydrophobicContact CD2-CD2 3.92Å; L65-L176 HydrophobicContact CD2-CG 3.69Å; N135-L176 HydrophobicContact CB-CD1 3.6Å; N135-L176 WeakPolarHBondContact ND2-CD1 3.5Å; L138-L176 HydrophobicContact CD1-CD1 4.06Å; L138-L176 HydrophobicContact CD2-CD1 4.4Å; F140-L176 HydrophobicContact CE1-CD2 4.46Å; F140-L176 HydrophobicContact CZ-CD2 4.14Å; W150-L176 HydrophobicContact CH2-CD2 3.87Å; W150-L176 HydrophobicContact CZ2-CD2 4.49Å; E172-L176 PolarHBondContact O-N 3.11Å; Q173-L176 PolarHBondContact O-N 3.09Å; L176-V179 PolarHBondContact O-N 3.44Å; L176-L180 WeakPolarHBondContact O-CB 3.15Å; L176-L180 WeakPolarHBondContact O-CG 3.16Å; L176-L180 PolarHBondContact O-N 3.12Å |
| 177 | N | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 177 | -88.4 | -74 | 0 | 0 | 0 | 111.2 | M121 W128 G132 Y133 Q173 D174 I175 V179 L180 F181 | M121-N177 HydrophobicContact SD-CB 3.84Å; W128-N177 VanDerWaalsContact CH2-C 3.47Å; W128-N177 HydrophobicContact CH2-CB 3.4Å; W128-N177 VanDerWaalsContact CH2-CB 3.4Å; W128-N177 VanDerWaalsContact CH2-O 3.26Å; W128-N177 WeakPolarHBondContact CH2-O 3.14Å; W128-N177 HydrophobicContact CZ2-CB 4.05Å; W128-N177 WeakPolarHBondContact CZ2-OD1 3.17Å; W128-N177 HydrophobicContact CZ3-CB 4.09Å; W128-N177 WeakPolarHBondContact CZ3-O 2.97Å; G132-N177 VanDerWaalsContact CA-OD1 3.31Å; G132-N177 WeakPolarHBondContact CA-OD1 3.5Å; Y133-N177 PolarHBondContact N-OD1 3.1Å; Y133-N177 PolarHBondContact O-ND2 2.84Å; Q173-N177 WeakPolarHBondContact CG-ND2 3.2Å; Q173-N177 VanDerWaalsContact O-CB 3.31Å; Q173-N177 WeakPolarHBondContact O-CB 3.38Å; Q173-N177 PolarHBondContact O-N 3.14Å; Q173-N177 PolarHBondContact O-ND2 3.21Å; D174-N177 PolarHBondContact O-N 3.48Å; I175-N177 VanDerWaalsContact C-N 3.31Å; I175-N177 PolarHBondContact O-N 2.97Å; N177-V179 PolarHBondContact O-N 3.45Å; N177-L180 PolarHBondContact O-N 3.02Å; N177-F181 WeakPolarHBondContact O-CB 3.25Å; N177-F181 PolarHBondContact O-N 3.09Å |
| 178 | L | 97.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.084 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 177.4 | -73 | 169.3 | 0 | 0 | 0 | 112.9 | L124 E125 V161 D174 I175 L180 F181 E182 | L124-L178 HydrophobicContact CB-CD1 4.39Å; L124-L178 HydrophobicContact CB-CD2 4.04Å; L124-L178 HydrophobicContact CB-CG 4.46Å; E125-L178 HydrophobicContact CB-CD2 3.99Å; V161-L178 HydrophobicContact CG2-CD1 3.29Å; D174-L178 VanDerWaalsContact O-CG 3.31Å; D174-L178 WeakPolarHBondContact O-CG 3.34Å; D174-L178 PolarHBondContact O-N 3.25Å; I175-L178 PolarHBondContact O-N 3.16Å; L178-L180 PolarHBondContact O-N 2.95Å; L178-F181 PolarHBondContact O-N 3.09Å; L178-E182 PolarHBondContact O-N 3.31Å |
| 179 | V | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 177 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | W150 M157 I175 L176 N177 F181 E182 F183 L186 | W150-V179 HydrophobicContact CZ3-CG1 3.9Å; M157-V179 HydrophobicContact CG-CG2 3.84Å; I175-V179 HydrophobicContact CG2-CG2 4.34Å; I175-V179 VanDerWaalsContact O-CG2 3.31Å; I175-V179 WeakPolarHBondContact O-CG2 3.15Å; I175-V179 PolarHBondContact O-N 2.99Å; L176-V179 PolarHBondContact O-N 3.44Å; N177-V179 PolarHBondContact O-N 3.45Å; V179-F181 VanDerWaalsContact C-N 3.31Å; V179-F181 PolarHBondContact O-N 2.98Å; V179-E182 PolarHBondContact O-N 2.93Å; V179-F183 HydrophobicContact CG1-CD2 4.14Å; V179-F183 WeakPolarHBondContact O-CA 3.49Å; V179-F183 WeakPolarHBondContact O-CB 3.44Å; V179-F183 WeakPolarHBondContact O-CD2 3.37Å; V179-F183 PolarHBondContact O-N 3.2Å; V179-L186 HydrophobicContact CG1-CD1 4.47Å |
| 180 | L | 96.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.8 | -26.1 | -179.7 | -66.5 | 169.1 | 0 | 0 | 0 | 112.6 | I107 I109 Y133 L176 N177 L178 K184 L186 L187 | I107-L180 HydrophobicContact CB-CD2 4.08Å; I107-L180 HydrophobicContact CD1-CD2 4.16Å; I107-L180 HydrophobicContact CG2-CD1 4.32Å; I107-L180 HydrophobicContact CG2-CD2 4.11Å; I109-L180 HydrophobicContact CD1-CD1 4.36Å; I109-L180 HydrophobicContact CG2-CD1 3.8Å; Y133-L180 HydrophobicContact CD2-CD1 4.42Å; L176-L180 WeakPolarHBondContact O-CB 3.15Å; L176-L180 WeakPolarHBondContact O-CG 3.16Å; L176-L180 PolarHBondContact O-N 3.12Å; N177-L180 PolarHBondContact O-N 3.02Å; L178-L180 PolarHBondContact O-N 2.95Å; L180-K184 VanDerWaalsContact O-CA 3.3Å; L180-K184 WeakPolarHBondContact O-CA 3.35Å; L180-K184 WeakPolarHBondContact O-CG 3.48Å; L180-K184 PolarHBondContact O-N 3.4Å; L180-L186 HydrophobicContact CD2-CB 4.42Å; L180-L187 HydrophobicContact CD1-CD1 4.22Å; L180-L187 HydrophobicContact CD2-CB 3.98Å; L180-L187 HydrophobicContact CD2-CD1 4.31Å |
| 181 | F | 95.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 18% | 0.18 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70 | -45.6 | 173.4 | -174.5 | -91.6 | 0 | 0 | 0 | 111.9 | E125 D127 W128 N177 L178 V179 K184 | E125-F181 HydrophobicContact CG-CD1 3.91Å; E125-F181 HydrophobicContact CG-CE1 3.49Å; E125-F181 VanDerWaalsContact CG-CE1 3.49Å; E125-F181 HydrophobicContact CG-CZ 3.97Å; D127-F181 WeakPolarHBondContact OD1-CE1 3.24Å; D127-F181 WeakPolarHBondContact OD1-CZ 3.32Å; W128-F181 AromaticContact CD2-CD2 3.9Å; W128-F181 HydrophobicContact CD2-CD2 3.9Å; W128-F181 HydrophobicContact CD2-CE2 4.22Å; W128-F181 HydrophobicContact CE3-CB 3.98Å; W128-F181 HydrophobicContact CE3-CD1 4.49Å; W128-F181 AromaticContact CE3-CD2 3.47Å; W128-F181 HydrophobicContact CE3-CD2 3.47Å; W128-F181 VanDerWaalsContact CE3-CD2 3.47Å; W128-F181 HydrophobicContact CE3-CE2 4.06Å; W128-F181 AromaticContact CE3-CG 3.73Å; W128-F181 HydrophobicContact CE3-CG 3.73Å; W128-F181 HydrophobicContact CG-CE2 4.48Å; W128-F181 HydrophobicContact CH2-CB 3.8Å; W128-F181 HydrophobicContact CH2-CD2 4.13Å; W128-F181 HydrophobicContact CH2-CG 4.32Å; W128-F181 HydrophobicContact CZ3-CB 3.31Å; W128-F181 AromaticContact CZ3-CD2 3.64Å; W128-F181 HydrophobicContact CZ3-CD2 3.64Å; W128-F181 AromaticContact CZ3-CG 3.62Å; W128-F181 HydrophobicContact CZ3-CG 3.62Å; N177-F181 WeakPolarHBondContact O-CB 3.25Å; N177-F181 PolarHBondContact O-N 3.09Å; L178-F181 PolarHBondContact O-N 3.09Å; V179-F181 VanDerWaalsContact C-N 3.31Å; V179-F181 PolarHBondContact O-N 2.98Å; F181-K184 VanDerWaalsContact O-CE 3.26Å; F181-K184 WeakPolarHBondContact O-CE 3.38Å; F181-K184 WeakPolarHBondContact O-CG 3.29Å |
| 182 | E | 95.4 | Very high | 97.1 | Very high | 117 Ų | 117 | 33.9 Ų | 33.9 | 55% | 0.547 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.7 | -40.9 | 177.5 | -172.5 | 170.9 | 157.7 | 0 | 0 | 111.9 | M157 L178 V179 | M157-E182 WeakPolarHBondContact CE-OE2 3.4Å; L178-E182 PolarHBondContact O-N 3.31Å; V179-E182 PolarHBondContact O-N 2.93Å |
| 183 | F | 96.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 21% | 0.211 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 56.3 | -175.1 | -54.6 | -75.9 | 0 | 0 | 0 | 112 | L153 M157 V179 H185 L186 | L153-F183 HydrophobicContact CD2-CE2 3.78Å; L153-F183 HydrophobicContact CD2-CZ 3.82Å; M157-F183 HydrophobicContact CE-CE2 4.16Å; V179-F183 HydrophobicContact CG1-CD2 4.14Å; V179-F183 WeakPolarHBondContact O-CA 3.49Å; V179-F183 WeakPolarHBondContact O-CB 3.44Å; V179-F183 WeakPolarHBondContact O-CD2 3.37Å; V179-F183 PolarHBondContact O-N 3.2Å; F183-H185 AromaticContact CD1-CE1 3.94Å; F183-H185 PolarHBondContact O-N 2.98Å; F183-L186 HydrophobicContact CB-CD1 3.69Å; F183-L186 HydrophobicContact CB-CG 3.97Å; F183-L186 HydrophobicContact CG-CD1 4.47Å; F183-L186 WeakPolarHBondContact O-CB 2.96Å; F183-L186 WeakPolarHBondContact O-CG 3.23Å; F183-L186 PolarHBondContact O-N 3.42Å |
| 184 | K | 96.3 | Very high | 97.1 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 59% | 0.587 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -51.4 | -25.2 | -178.1 | -62.3 | -175.5 | -178.5 | 179.5 | 0 | 114.7 | L180 F181 L186 L187 | L180-K184 VanDerWaalsContact O-CA 3.3Å; L180-K184 WeakPolarHBondContact O-CA 3.35Å; L180-K184 WeakPolarHBondContact O-CG 3.48Å; L180-K184 PolarHBondContact O-N 3.4Å; F181-K184 VanDerWaalsContact O-CE 3.26Å; F181-K184 WeakPolarHBondContact O-CE 3.38Å; F181-K184 WeakPolarHBondContact O-CG 3.29Å; K184-L186 PolarHBondContact O-N 2.95Å; K184-L187 WeakPolarHBondContact O-CB 3.5Å; K184-L187 PolarHBondContact O-N 2.88Å |
| 185 | H | 97.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 40 Ų | 40 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -68.6 | -14.2 | 177.7 | 66.7 | -93.2 | 0 | 0 | 0 | 114.4 | T104 Q105 F183 | T104-H185 CarbonylContact C-O 3.49Å; T104-H185 PolarHBondContact OG1-O 2.75Å; Q105-H185 WeakPolarHBondContact CA-O 3.36Å; Q105-H185 PolarHBondContact N-O 3.4Å; F183-H185 AromaticContact CD1-CE1 3.94Å; F183-H185 PolarHBondContact O-N 2.98Å |
| 186 | L | 98 | Very high | 97 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -82.5 | -23.2 | 174.5 | -58.6 | -179.7 | 0 | 0 | 0 | 112.5 | Q105 S106 I107 V179 L180 F183 K184 | Q105-L186 WeakPolarHBondContact CA-O 3.29Å; S106-L186 PolarHBondContact N-O 2.89Å; I107-L186 PolarHBondContact N-O 3.24Å; V179-L186 HydrophobicContact CG1-CD1 4.47Å; L180-L186 HydrophobicContact CD2-CB 4.42Å; F183-L186 HydrophobicContact CB-CD1 3.69Å; F183-L186 HydrophobicContact CB-CG 3.97Å; F183-L186 HydrophobicContact CG-CD1 4.47Å; F183-L186 WeakPolarHBondContact O-CB 2.96Å; F183-L186 WeakPolarHBondContact O-CG 3.23Å; F183-L186 PolarHBondContact O-N 3.42Å; K184-L186 PolarHBondContact O-N 2.95Å |
| 187 | L | 98.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.3 | -171.2 | 172 | 67.3 | 0 | 0 | 0 | 112.3 | Q105 I107 I109 Y133 L180 K184 | Q105-L187 VanDerWaalsContact CG-O 3.29Å; Q105-L187 WeakPolarHBondContact CG-O 3.44Å; Q105-L187 PolarHBondContact NE2-O 3.41Å; I107-L187 CarbonylContact O-C 3.33Å; I109-L187 HydrophobicContact CG2-CD1 3.46Å; I109-L187 VanDerWaalsContact CG2-CD1 3.46Å; Y133-L187 HydrophobicContact CD1-CD1 4.47Å; Y133-L187 HydrophobicContact CE1-CD1 4.04Å; Y133-L187 HydrophobicContact CE1-CD2 4.25Å; Y133-L187 HydrophobicContact CE2-CD1 4.28Å; Y133-L187 HydrophobicContact CE2-CD2 3.91Å; Y133-L187 VanDerWaalsContact CZ-CD2 3.5Å; Y133-L187 WeakPolarHBondContact OH-CD2 3.17Å; L180-L187 HydrophobicContact CD1-CD1 4.22Å; L180-L187 HydrophobicContact CD2-CB 3.98Å; L180-L187 HydrophobicContact CD2-CD1 4.31Å; K184-L187 WeakPolarHBondContact O-CB 3.5Å; K184-L187 PolarHBondContact O-N 2.88Å |
| 188 | Y | 98.6 | Very high | 96.7 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 12% | 0.122 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.4 | 158.2 | 178.8 | -90.9 | 0 | 0 | 0 | 108.7 | H97 N100 F101 I107 G108 I109 I190 | H97-Y188 HydrophobicContact CB-CE1 3.85Å; H97-Y188 AromaticContact ND1-CE1 3.6Å; H97-Y188 AromaticContact ND1-CZ 3.67Å; H97-Y188 PolarHBondContact ND1-OH 2.87Å; N100-Y188 HydrophobicContact CB-CE2 3.66Å; N100-Y188 WeakPolarHBondContact CB-OH 3.28Å; N100-Y188 PolarHBondContact ND2-OH 3.22Å; F101-Y188 AromaticContact CD1-CD1 3.91Å; F101-Y188 HydrophobicContact CD1-CD1 3.91Å; F101-Y188 AromaticContact CD1-CD2 3.68Å; F101-Y188 HydrophobicContact CD1-CD2 3.68Å; F101-Y188 HydrophobicContact CD1-CE1 4.41Å; F101-Y188 HydrophobicContact CD1-CE2 4.24Å; F101-Y188 AromaticContact CD1-CG 3.5Å; F101-Y188 HydrophobicContact CD1-CG 3.5Å; F101-Y188 VanDerWaalsContact CD1-CG 3.5Å; F101-Y188 AromaticContact CE1-CD1 3.36Å; F101-Y188 HydrophobicContact CE1-CD1 3.36Å; F101-Y188 HydrophobicContact CE1-CD2 4.01Å; F101-Y188 HydrophobicContact CE1-CE1 4.03Å; F101-Y188 AromaticContact CE1-CG 3.34Å; F101-Y188 HydrophobicContact CE1-CG 3.34Å; F101-Y188 HydrophobicContact CZ-CD1 4.28Å; F101-Y188 HydrophobicContact CZ-CG 4.25Å; I107-Y188 PolarHBondContact O-N 3.03Å; G108-Y188 CarbonylContact C-O 3.47Å; G108-Y188 WeakPolarHBondContact CA-O 3.37Å; I109-Y188 PolarHBondContact N-O 2.64Å; Y188-I190 HydrophobicContact CD1-CG2 3.93Å; Y188-I190 HydrophobicContact CE1-CG2 3.99Å; Y188-I190 PolarHBondContact O-N 3.49Å |
| 189 | E | 98.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 52.8 Ų | 52.8 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.2 | 177.7 | -169.5 | 170 | 113.9 | 0 | 0 | 109.5 | I109 L111 Y133 | I109-E189 WeakPolarHBondContact O-CA 3.46Å; L111-E189 WeakPolarHBondContact CD1-OE1 3.39Å; L111-E189 WeakPolarHBondContact CD2-OE2 3.29Å; L111-E189 HydrophobicContact CG-CG 4.24Å; Y133-E189 HydrophobicContact CE1-CG 4.14Å; Y133-E189 WeakPolarHBondContact CE1-OE2 3.49Å; Y133-E189 PolarHBondContact OH-OE2 3.07Å |
| 190 | I | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 149.6 | 175 | 70.6 | -173.6 | 0 | 0 | 0 | 109.8 | L94 I109 V137 L139 Y188 C192 W194 | L94-I190 HydrophobicContact CD1-CD1 4.47Å; L94-I190 HydrophobicContact CD1-CG2 4.45Å; I109-I190 PolarHBondContact O-N 3.3Å; V137-I190 HydrophobicContact CB-CD1 4.18Å; V137-I190 HydrophobicContact CG1-CD1 3.79Å; L139-I190 HydrophobicContact CD1-CG2 4.21Å; L139-I190 HydrophobicContact CD2-CG2 4.28Å; Y188-I190 HydrophobicContact CD1-CG2 3.93Å; Y188-I190 HydrophobicContact CE1-CG2 3.99Å; Y188-I190 PolarHBondContact O-N 3.49Å; I190-C192 PolarHBondContact O-N 3.12Å; I190-W194 HydrophobicContact CD1-CB 3.93Å; I190-W194 HydrophobicContact CG1-CB 4.31Å |
| 191 | P | 97.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 64 Ų | 64 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 140.4 | 172.9 | -25.6 | 33.2 | 0 | 0 | 0 | 112.2 | H97 E193 W194 | H97-P191 WeakPolarHBondContact CE1-CD 3.26Å; P191-E193 HydrophobicContact CB-CG 4.31Å; P191-E193 WeakPolarHBondContact CB-OE1 3.3Å; P191-E193 WeakPolarHBondContact CB-OE2 3.13Å; P191-E193 PolarHBondContact O-N 3.17Å; P191-E193 VanDerWaalsContact O-N 3.15Å; P191-W194 WeakPolarHBondContact O-CB 3.19Å; P191-W194 PolarHBondContact O-N 3.27Å; P191-W194 VanDerWaalsContact O-N 3.14Å |
| 192 | C | 96.2 | Very high | 95.8 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -62.2 | -27.8 | -169.9 | 74.9 | 0 | 0 | 0 | 0 | 113 | I190 W194 N195 I196 C207 | I190-C192 PolarHBondContact O-N 3.12Å; C192-W194 PolarHBondContact O-N 3.03Å; C192-N195 CarbonylContact O-C 3.55Å; C192-N195 VanDerWaalsContact O-C 3.26Å; C192-N195 PolarHBondContact O-N 3.08Å; C192-I196 PolarHBondContact O-N 3.07Å; C192-C207 HydrophobicContact CB-CB 3.63Å; C192-C207 WeakPolarHBondContact CB-SG 3.43Å; C192-C207 PolarHBondContact O-SG 2.54Å; C192-C207 WeakPolarHBondContact SG-CA 3.32Å; C192-C207 WeakPolarHBondContact SG-CB 3.41Å; C192-C207 CovalentContact SG-SG 2.05Å; C192-C207 PolarHBondContact SG-SG 3.19Å |
| 193 | E | 95.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -63 | -20.9 | -179.7 | 63.1 | -90.3 | -152.8 | 0 | 0 | 113.1 | P191 N195 I196 C207 V209 | P191-E193 HydrophobicContact CB-CG 4.31Å; P191-E193 WeakPolarHBondContact CB-OE1 3.3Å; P191-E193 WeakPolarHBondContact CB-OE2 3.13Å; P191-E193 PolarHBondContact O-N 3.17Å; P191-E193 VanDerWaalsContact O-N 3.15Å; E193-N195 VanDerWaalsContact C-N 3.28Å; E193-N195 PolarHBondContact O-N 2.91Å; E193-I196 HydrophobicContact CB-CD1 4.48Å; E193-I196 WeakPolarHBondContact O-CD1 3.36Å; E193-C207 PolarHBondContact N-SG 3.5Å; E193-C207 VanDerWaalsContact N-SG 3.39Å; E193-V209 HydrophobicContact CB-CG1 3.84Å |
| 194 | W | 96.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -74.1 | -19 | 174.1 | -74.6 | 113.5 | 0 | 0 | 0 | 113.5 | T89 E93 L94 H97 V137 I190 P191 C192 | T89-W194 HydrophobicContact CG2-CE3 4.45Å; T89-W194 HydrophobicContact CG2-CH2 3.25Å; T89-W194 HydrophobicContact CG2-CZ2 4.13Å; T89-W194 HydrophobicContact CG2-CZ3 3.45Å; T89-W194 VanDerWaalsContact CG2-CZ3 3.45Å; E93-W194 HydrophobicContact CB-CH2 3.76Å; E93-W194 HydrophobicContact CB-CZ2 3.56Å; L94-W194 HydrophobicContact CB-CD2 3.85Å; L94-W194 HydrophobicContact CB-CE3 3.72Å; L94-W194 HydrophobicContact CB-CH2 3.58Å; L94-W194 HydrophobicContact CB-CZ2 3.74Å; L94-W194 HydrophobicContact CB-CZ3 3.59Å; L94-W194 HydrophobicContact CD1-CB 4.16Å; L94-W194 HydrophobicContact CD1-CD2 3.68Å; L94-W194 HydrophobicContact CD1-CE3 4.21Å; L94-W194 HydrophobicContact CD1-CG 3.65Å; L94-W194 HydrophobicContact CD2-CD2 4.19Å; L94-W194 HydrophobicContact CD2-CE3 3.87Å; L94-W194 HydrophobicContact CD2-CZ3 4.37Å; L94-W194 HydrophobicContact CG-CD2 4.1Å; L94-W194 HydrophobicContact CG-CE3 4.13Å; L94-W194 HydrophobicContact CG-CZ3 4.47Å; L94-W194 VanDerWaalsContact N-CH2 3.27Å; H97-W194 AromaticContact CD2-NE1 3.92Å; H97-W194 AromaticContact NE2-NE1 3.36Å; H97-W194 PolarHBondContact NE2-NE1 2.92Å; V137-W194 WeakPolarHBondContact CG2-O 3.16Å; I190-W194 HydrophobicContact CD1-CB 3.93Å; I190-W194 HydrophobicContact CG1-CB 4.31Å; P191-W194 WeakPolarHBondContact O-CB 3.19Å; P191-W194 PolarHBondContact O-N 3.27Å; P191-W194 VanDerWaalsContact O-N 3.14Å; C192-W194 PolarHBondContact O-N 3.03Å |
| 195 | N | 97 | Very high | 95.1 | Very high | 14 Ų | 14 | 63 Ų | 63 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -140.9 | 61.6 | 178.7 | -168.2 | 10.2 | 0 | 0 | 0 | 111.2 | Q113 N134 V137 C192 E193 Q197 | Q113-N195 PolarHBondContact NE2-O 2.78Å; N134-N195 PolarHBondContact O-ND2 3.49Å; N134-N195 PolarHBondContact OD1-ND2 3.42Å; V137-N195 HydrophobicContact CB-CB 4.11Å; V137-N195 HydrophobicContact CG2-CB 3.99Å; C192-N195 CarbonylContact O-C 3.55Å; C192-N195 VanDerWaalsContact O-C 3.26Å; C192-N195 PolarHBondContact O-N 3.08Å; E193-N195 VanDerWaalsContact C-N 3.28Å; E193-N195 PolarHBondContact O-N 2.91Å; N195-Q197 PolarHBondContact O-N 3.43Å; N195-Q197 PolarHBondContact O-NE2 3.22Å; N195-Q197 VanDerWaalsContact O-NE2 3.1Å |
| 196 | I | 96 | Very high | 94.8 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | trans | -68.7 | 119.7 | 175.3 | -63.4 | 152.8 | 0 | 0 | 0 | 109 | C192 E193 L198 V209 W211 | C192-I196 PolarHBondContact O-N 3.07Å; E193-I196 HydrophobicContact CB-CD1 4.48Å; E193-I196 WeakPolarHBondContact O-CD1 3.36Å; I196-L198 HydrophobicContact CG2-CD2 4.09Å; I196-V209 HydrophobicContact CD1-CB 4.23Å; I196-V209 HydrophobicContact CD1-CG1 4.02Å; I196-V209 HydrophobicContact CD1-CG2 3.68Å; I196-V209 HydrophobicContact CG1-CG1 4.27Å; I196-V209 HydrophobicContact CG1-CG2 4.03Å; I196-V209 HydrophobicContact CG2-CG2 4.38Å; I196-W211 HydrophobicContact CD1-CH2 3.53Å; I196-W211 HydrophobicContact CD1-CZ2 3.15Å | ||
| 197 | Q | 95.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | trans | -97.9 | 124.3 | -173.9 | -68.7 | 146 | 48 | 0 | 0 | 109.9 | L111 E112 Q113 N134 N195 S202 | L111-Q197 PolarHBondContact O-NE2 3.29Å; E112-Q197 PolarHBondContact OE1-OE1 3.21Å; Q113-Q197 HydrophobicContact CB-CB 4.2Å; Q113-Q197 VanDerWaalsContact OE1-N 3.14Å; N134-Q197 HydrophobicContact CB-CG 4.5Å; N195-Q197 PolarHBondContact O-N 3.43Å; N195-Q197 PolarHBondContact O-NE2 3.22Å; N195-Q197 VanDerWaalsContact O-NE2 3.1Å; Q197-S202 WeakPolarHBondContact O-CB 3.28Å; Q197-S202 PolarHBondContact O-OG 3.29Å | ||
| 198 | L | 93.1 | Very high | 94.2 | Very high | 162 Ų | 162 | 65.6 Ų | 65.6 | 85% | 0.848 | 36% | 0.355 | S | S | * | . | trans | -106.1 | 11.3 | -177.7 | -57.3 | 179.7 | 0 | 0 | 0 | 112.4 | I196 | I196-L198 HydrophobicContact CG2-CD2 4.09Š| ||
| 199 | S | 91.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -67.8 | 151.1 | 177.7 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | G201 S202 | S199-G201 PolarHBondContact O-N 2.73Å; S199-S202 WeakPolarHBondContact O-CB 3.42Å; S199-S202 PolarHBondContact O-N 2.94Å; S199-S202 VanDerWaalsContact O-N 3.09Å; S199-S202 PolarHBondContact O-OG 3.43Å; S199-S202 PolarHBondContact OG-OG 2.79Å |
| 200 | E | 91.1 | Very high | 92.9 | Very high | 190 Ų | 190 | 65.6 Ų | 65.6 | 89% | 0.888 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.7 | 177.7 | -174.4 | 177.3 | -172.3 | 0 | 0 | 111 | N114 | N114-E200 PolarHBondContact ND2-O 2.8Š|
| 201 | G | 92.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P115 S199 D203 | P115-G201 WeakPolarHBondContact CD-O 3.34Å; S199-G201 PolarHBondContact O-N 2.73Å; G201-D203 PolarHBondContact O-N 3.05Å |
| 202 | S | 93.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 73.8 Ų | 73.8 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | trans | -54.9 | 129.1 | 174.1 | -60 | 0 | 0 | 0 | 0 | 111 | Q197 S199 P204 | Q197-S202 WeakPolarHBondContact O-CB 3.28Å; Q197-S202 PolarHBondContact O-OG 3.29Å; S199-S202 WeakPolarHBondContact O-CB 3.42Å; S199-S202 PolarHBondContact O-N 2.94Å; S199-S202 VanDerWaalsContact O-N 3.09Å; S199-S202 PolarHBondContact O-OG 3.43Å; S199-S202 PolarHBondContact OG-OG 2.79Å; S202-P204 VanDerWaalsContact O-CD 3.3Å; S202-P204 WeakPolarHBondContact O-CD 3.33Å | ||
| 203 | D | 93.1 | Very high | 90.2 | Very high | 41 Ų | 41 | 75.8 Ų | 75.8 | 22% | 0.219 | 41% | 0.408 | C | S | . | . | trans | -82.7 | 110 | -179.4 | 175.6 | 8.4 | 0 | 0 | 0 | 109.9 | Q113 G201 H205 R206 | Q113-D203 WeakPolarHBondContact O-CB 3.43Å; Q113-D203 PolarHBondContact O-N 2.94Å; G201-D203 PolarHBondContact O-N 3.05Å; D203-H205 PolarHBondContact O-N 2.97Å; D203-H205 VanDerWaalsContact O-N 3.1Å; D203-H205 VanDerWaalsContact OD1-CB 3.3Å; D203-H205 WeakPolarHBondContact OD1-CB 3.06Å; D203-H205 IonicContact OD1-CD2 3.38Å; D203-H205 PolarHBondContact OD1-CD2 3.09Å; D203-H205 IonicContact OD1-CG 3.65Å; D203-H205 PolarHBondContact OD1-N 2.88Å; D203-R206 HydrophobicContact CB-CG 4.08Å; D203-R206 WeakPolarHBondContact O-CB 3.44Å; D203-R206 PolarHBondContact O-N 2.71Å | ||
| 204 | P | 89.2 | Confident | 89.4 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.9 | -178.8 | 28.4 | -35.8 | 0 | 0 | 0 | 113.1 | S202 R206 C207 | S202-P204 VanDerWaalsContact O-CD 3.3Å; S202-P204 WeakPolarHBondContact O-CD 3.33Å; P204-R206 VanDerWaalsContact C-N 3.29Å; P204-C207 CarbonylContact O-C 3.6Å |
| 205 | H | 91.6 | Very high | 88.7 | Confident | 160 Ų | 160 | 83.3 Ų | 83.3 | 74% | 0.741 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.7 | 175.8 | -61.5 | -66.6 | 0 | 0 | 0 | 113.1 | D203 C207 | D203-H205 PolarHBondContact O-N 2.97Å; D203-H205 VanDerWaalsContact O-N 3.1Å; D203-H205 VanDerWaalsContact OD1-CB 3.3Å; D203-H205 WeakPolarHBondContact OD1-CB 3.06Å; D203-H205 IonicContact OD1-CD2 3.38Å; D203-H205 PolarHBondContact OD1-CD2 3.09Å; D203-H205 IonicContact OD1-CG 3.65Å; D203-H205 PolarHBondContact OD1-N 2.88Å; H205-C207 VanDerWaalsContact C-N 3.35Å |
| 206 | R | 91.1 | Very high | 88.2 | Confident | 77 Ų | 77 | 86.7 Ų | 86.7 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -30.4 | 173.7 | -78.3 | -105.9 | 165.5 | 161.2 | -6.2 | 112.9 | E112 Q113 Y131 D203 P204 | E112-R206 PolarHBondContact O-NH1 3.49Å; Q113-R206 HydrophobicContact CB-CB 4.11Å; Q113-R206 HydrophobicContact CG-CB 4.03Å; Y131-R206 HydrophobicContact CE2-CG 3.92Å; Y131-R206 VanDerWaalsContact CG-CZ 3.45Å; Y131-R206 VanDerWaalsContact CG-NH1 3.26Å; D203-R206 HydrophobicContact CB-CG 4.08Å; D203-R206 WeakPolarHBondContact O-CB 3.44Å; D203-R206 PolarHBondContact O-N 2.71Å; P204-R206 VanDerWaalsContact C-N 3.29Å |
| 207 | C | 94.5 | Very high | 87.4 | Confident | 6 Ų | 6 | 87.3 Ų | 87.3 | 4% | 0.041 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -141.3 | 79.9 | 175.3 | -162.8 | 0 | 0 | 0 | 0 | 111 | Q113 C192 E193 P204 H205 V209 | Q113-C207 HydrophobicContact CG-CB 4.49Å; C192-C207 HydrophobicContact CB-CB 3.63Å; C192-C207 WeakPolarHBondContact CB-SG 3.43Å; C192-C207 PolarHBondContact O-SG 2.54Å; C192-C207 WeakPolarHBondContact SG-CA 3.32Å; C192-C207 WeakPolarHBondContact SG-CB 3.41Å; C192-C207 CovalentContact SG-SG 2.05Å; C192-C207 PolarHBondContact SG-SG 3.19Å; E193-C207 PolarHBondContact N-SG 3.5Å; E193-C207 VanDerWaalsContact N-SG 3.39Å; P204-C207 CarbonylContact O-C 3.6Å; H205-C207 VanDerWaalsContact C-N 3.35Å; C207-V209 VanDerWaalsContact C-N 3.33Å; C207-V209 PolarHBondContact O-N 2.87Å |
| 208 | P | 89.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 71% | 0.708 | 48% | 0.483 | S | S | * | . | trans | -74.6 | 87.8 | -178.3 | 31.1 | -34.2 | 0 | 0 | 0 | 110 | ||||
| 209 | V | 87 | Confident | 86 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 33% | 0.333 | 47% | 0.472 | S | S | . | . | trans | -104.2 | 144.8 | 176.8 | -67.2 | 0 | 0 | 0 | 0 | 111.1 | E193 I196 C207 | E193-V209 HydrophobicContact CB-CG1 3.84Å; I196-V209 HydrophobicContact CD1-CB 4.23Å; I196-V209 HydrophobicContact CD1-CG1 4.02Å; I196-V209 HydrophobicContact CD1-CG2 3.68Å; I196-V209 HydrophobicContact CG1-CG1 4.27Å; I196-V209 HydrophobicContact CG1-CG2 4.03Å; I196-V209 HydrophobicContact CG2-CG2 4.38Å; C207-V209 VanDerWaalsContact C-N 3.33Å; C207-V209 PolarHBondContact O-N 2.87Å | ||
| 210 | S | 82.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 47% | 0.473 | S | S | . | . | trans | -128.5 | 122.9 | 168.9 | -168 | 0 | 0 | 0 | 0 | 109.8 | L212 | S210-L212 VanDerWaalsContact C-N 3.29Š| ||
| 211 | W | 75.7 | Confident | 84 | Confident | 160 Ų | 160 | 90.2 Ų | 90.2 | 61% | 0.606 | 46% | 0.457 | S | S | * | . | trans | -86.2 | -7.1 | 174.8 | -53 | 115 | 0 | 0 | 0 | 112.9 | N88 I196 | N88-W211 HydrophobicContact CB-CH2 3.92Å; N88-W211 HydrophobicContact CB-CZ3 4.02Å; N88-W211 WeakPolarHBondContact ND2-CZ3 3.48Å; I196-W211 HydrophobicContact CD1-CH2 3.53Å; I196-W211 HydrophobicContact CD1-CZ2 3.15Å | ||
| 212 | L | 80.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 93.3 Ų | 93.3 | 29% | 0.293 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -85.5 | 136.2 | 178.7 | -64.8 | 177.7 | 0 | 0 | 0 | 108.9 | S210 E216 L217 Q220 | S210-L212 VanDerWaalsContact C-N 3.29Å; L212-E216 HydrophobicContact CB-CB 3.93Å; L212-E216 HydrophobicContact CD2-CB 4.03Å; L212-E216 HydrophobicContact CG-CB 4.43Å; L212-L217 HydrophobicContact CB-CD2 3.93Å; L212-L217 HydrophobicContact CB-CG 3.72Å; L212-L217 HydrophobicContact CD1-CD2 3.87Å; L212-L217 HydrophobicContact CD1-CG 4.43Å; L212-Q220 VanDerWaalsContact CD1-CD 3.43Å; L212-Q220 HydrophobicContact CD1-CG 4.45Å |
| 213 | T | 78.3 | Confident | 81 | Confident | 71 Ų | 71 | 96.1 Ų | 96.1 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | trans | -58.6 | 156.6 | 166.5 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | M215 E216 L217 | T213-M215 PolarHBondContact O-N 3.44Å; T213-M215 VanDerWaalsContact O-N 3.08Å; T213-E216 WeakPolarHBondContact CB-OE2 3.29Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.36Å; T213-E216 PolarHBondContact N-OE2 2.98Å; T213-E216 PolarHBondContact O-N 3.19Å; T213-E216 VanDerWaalsContact OG1-CD 3.25Å; T213-E216 VanDerWaalsContact OG1-CG 3.29Å; T213-E216 WeakPolarHBondContact OG1-CG 3.42Å; T213-E216 PolarHBondContact OG1-N 3.5Å; T213-E216 PolarHBondContact OG1-OE2 3.03Å; T213-L217 PolarHBondContact O-N 3.33Å | ||
| 214 | Y | 77.6 | Confident | 79.4 | Confident | 152 Ų | 152 | 97 Ų | 97 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -51.5 | -36 | 173.8 | -177.3 | -103.2 | 0 | 0 | 0 | 113 | R218 | Y214-R218 HydrophobicContact CE1-CG 4.11Å; Y214-R218 PolarHBondContact O-N 3.34Å; Y214-R218 VanDerWaalsContact OH-CZ 3.25Å; Y214-R218 PolarHBondContact OH-NE 3.47Å; Y214-R218 PolarHBondContact OH-NH2 3.3Å |
| 215 | M | 82 | Confident | 77.9 | Confident | 135 Ų | 135 | 98.6 Ų | 98.6 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.9 | -40.4 | 177 | -68.6 | -171.8 | -71.4 | 0 | 0 | 112.4 | T213 R218 K219 | T213-M215 PolarHBondContact O-N 3.44Å; T213-M215 VanDerWaalsContact O-N 3.08Å; M215-R218 PolarHBondContact O-N 2.92Å; M215-K219 WeakPolarHBondContact O-CG 3.46Å; M215-K219 PolarHBondContact O-N 2.96Å |
| 216 | E | 85.9 | Confident | 76.2 | Confident | 86 Ų | 86 | 95.1 Ų | 95.1 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 177.4 | -72.1 | 160.5 | 146 | 0 | 0 | 111.5 | L212 T213 R218 K219 Q220 | L212-E216 HydrophobicContact CB-CB 3.93Å; L212-E216 HydrophobicContact CD2-CB 4.03Å; L212-E216 HydrophobicContact CG-CB 4.43Å; T213-E216 WeakPolarHBondContact CB-OE2 3.29Å; T213-E216 WeakPolarHBondContact CG2-OE2 3.36Å; T213-E216 PolarHBondContact N-OE2 2.98Å; T213-E216 PolarHBondContact O-N 3.19Å; T213-E216 VanDerWaalsContact OG1-CD 3.25Å; T213-E216 VanDerWaalsContact OG1-CG 3.29Å; T213-E216 WeakPolarHBondContact OG1-CG 3.42Å; T213-E216 PolarHBondContact OG1-N 3.5Å; T213-E216 PolarHBondContact OG1-OE2 3.03Å; E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.06Å; E216-K219 PolarHBondContact O-N 3.47Å; E216-Q220 PolarHBondContact O-N 3.43Å |
| 217 | L | 79.8 | Confident | 74.3 | Confident | 57 Ų | 57 | 97.7 Ų | 97.7 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 172.3 | -73.9 | 170 | 0 | 0 | 0 | 111.7 | L212 T213 K219 Q220 N221 | L212-L217 HydrophobicContact CB-CD2 3.93Å; L212-L217 HydrophobicContact CB-CG 3.72Å; L212-L217 HydrophobicContact CD1-CD2 3.87Å; L212-L217 HydrophobicContact CD1-CG 4.43Å; T213-L217 PolarHBondContact O-N 3.33Å; L217-K219 PolarHBondContact O-N 3.36Å; L217-Q220 PolarHBondContact O-N 2.87Å; L217-N221 WeakPolarHBondContact O-CB 3.36Å; L217-N221 PolarHBondContact O-N 3.14Å |
| 218 | R | 79.6 | Confident | 72.2 | Confident | 145 Ų | 145 | 104.2 Ų | 104.2 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.4 | -85 | -166.3 | 171 | -162.7 | 2.1 | 112.6 | Y214 M215 E216 N221 Q222 | Y214-R218 HydrophobicContact CE1-CG 4.11Å; Y214-R218 PolarHBondContact O-N 3.34Å; Y214-R218 VanDerWaalsContact OH-CZ 3.25Å; Y214-R218 PolarHBondContact OH-NE 3.47Å; Y214-R218 PolarHBondContact OH-NH2 3.3Å; M215-R218 PolarHBondContact O-N 2.92Å; E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.06Å; R218-N221 PolarHBondContact O-N 3.19Å; R218-Q222 WeakPolarHBondContact O-CG 3.36Å; R218-Q222 PolarHBondContact O-N 3.31Å |
| 219 | K | 80.4 | Confident | 70.5 | Confident | 143 Ų | 143 | 105.2 Ų | 105.2 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 177.5 | -75.8 | 178.6 | -178.2 | 179.6 | 0 | 111.3 | M215 E216 L217 Q222 T223 | M215-K219 WeakPolarHBondContact O-CG 3.46Å; M215-K219 PolarHBondContact O-N 2.96Å; E216-K219 PolarHBondContact O-N 3.47Å; L217-K219 PolarHBondContact O-N 3.36Å; K219-Q222 PolarHBondContact O-N 3.2Å; K219-T223 PolarHBondContact O-N 3.31Å; K219-T223 PolarHBondContact O-OG1 2.96Å |
| 220 | Q | 70.6 | Confident | 68.9 | Low | 102 Ų | 102 | 109 Ų | 109 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.2 | -76.8 | -169.4 | -5.3 | 0 | 0 | 112.1 | L212 E216 L217 Q222 T223 C224 | L212-Q220 VanDerWaalsContact CD1-CD 3.43Å; L212-Q220 HydrophobicContact CD1-CG 4.45Å; E216-Q220 PolarHBondContact O-N 3.43Å; L217-Q220 PolarHBondContact O-N 2.87Å; Q220-Q222 VanDerWaalsContact C-N 3.27Å; Q220-Q222 PolarHBondContact O-N 3.05Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.42Å; Q220-T223 PolarHBondContact O-N 3.45Å; Q220-T223 VanDerWaalsContact O-N 3.12Å; Q220-T223 PolarHBondContact O-OG1 2.95Å; Q220-C224 PolarHBondContact O-N 3.25Å |
| 221 | N | 69.8 | Low | 67.4 | Low | 103 Ų | 103 | 110.8 Ų | 110.8 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 176.7 | -75.4 | -10.8 | 0 | 0 | 0 | 111.9 | L217 R218 C224 Q225 | L217-N221 WeakPolarHBondContact O-CB 3.36Å; L217-N221 PolarHBondContact O-N 3.14Å; R218-N221 PolarHBondContact O-N 3.19Å; N221-C224 PolarHBondContact O-N 3.31Å; N221-Q225 WeakPolarHBondContact O-CG 3.33Å; N221-Q225 PolarHBondContact O-N 3.1Å |
| 222 | Q | 61.3 | Low | 66.2 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 173 | -75 | 176.7 | -10.7 | 0 | 0 | 112.4 | R218 K219 Q220 C224 Q225 I226 | R218-Q222 WeakPolarHBondContact O-CG 3.36Å; R218-Q222 PolarHBondContact O-N 3.31Å; K219-Q222 PolarHBondContact O-N 3.2Å; Q220-Q222 VanDerWaalsContact C-N 3.27Å; Q220-Q222 PolarHBondContact O-N 3.05Å; Q222-C224 VanDerWaalsContact C-N 3.34Å; Q222-C224 PolarHBondContact O-N 3.05Å; Q222-Q225 PolarHBondContact O-N 2.83Å; Q222-I226 WeakPolarHBondContact O-CD1 3.46Å; Q222-I226 VanDerWaalsContact O-CG1 3.26Å; Q222-I226 WeakPolarHBondContact O-CG1 3.45Å; Q222-I226 PolarHBondContact O-N 2.85Å |
| 223 | T | 60.5 | Low | 65 | Low | 84 Ų | 84 | 113.9 Ų | 113.9 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 174.7 | 21 | 0 | 0 | 0 | 0 | 113.1 | K219 Q220 I226 Q227 | K219-T223 PolarHBondContact O-N 3.31Å; K219-T223 PolarHBondContact O-OG1 2.96Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.42Å; Q220-T223 PolarHBondContact O-N 3.45Å; Q220-T223 VanDerWaalsContact O-N 3.12Å; Q220-T223 PolarHBondContact O-OG1 2.95Å; T223-I226 PolarHBondContact O-N 3.49Å; T223-Q227 PolarHBondContact O-N 2.82Å |
| 224 | C | 60 | Low | 63.8 | Low | 61 Ų | 61 | 116.9 Ų | 116.9 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -44.1 | 173 | -79.7 | 0 | 0 | 0 | 0 | 111.2 | Q220 N221 Q222 I226 Q227 F228 | Q220-C224 PolarHBondContact O-N 3.25Å; N221-C224 PolarHBondContact O-N 3.31Å; Q222-C224 VanDerWaalsContact C-N 3.34Å; Q222-C224 PolarHBondContact O-N 3.05Å; C224-I226 PolarHBondContact O-N 2.94Å; C224-Q227 WeakPolarHBondContact O-CB 3.45Å; C224-Q227 PolarHBondContact O-N 2.91Å; C224-Q227 VanDerWaalsContact O-N 3.14Å; C224-F228 WeakPolarHBondContact O-CD2 3.47Å; C224-F228 PolarHBondContact O-N 3.09Å |
| 225 | Q | 56.6 | Low | 62.4 | Low | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.6 | -43.5 | 175.1 | -78.8 | -178.9 | -36.5 | 0 | 0 | 112.3 | N221 Q222 Q227 F228 E229 | N221-Q225 WeakPolarHBondContact O-CG 3.33Å; N221-Q225 PolarHBondContact O-N 3.1Å; Q222-Q225 PolarHBondContact O-N 2.83Å; Q225-Q227 VanDerWaalsContact C-N 3.28Å; Q225-Q227 PolarHBondContact O-N 3.33Å; Q225-F228 PolarHBondContact O-N 3.27Å; Q225-F228 VanDerWaalsContact O-N 3.17Å; Q225-E229 WeakPolarHBondContact O-CG 3.1Å; Q225-E229 PolarHBondContact O-N 3.48Å |
| 226 | I | 56.1 | Low | 60.3 | Low | 87 Ų | 87 | 124.1 Ų | 124.1 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64 | -33 | 176.4 | -65.5 | 163.5 | 0 | 0 | 0 | 111.7 | Q222 T223 C224 K230 | Q222-I226 WeakPolarHBondContact O-CD1 3.46Å; Q222-I226 VanDerWaalsContact O-CG1 3.26Å; Q222-I226 WeakPolarHBondContact O-CG1 3.45Å; Q222-I226 PolarHBondContact O-N 2.85Å; T223-I226 PolarHBondContact O-N 3.49Å; C224-I226 PolarHBondContact O-N 2.94Å; I226-K230 WeakPolarHBondContact O-CB 3.31Å; I226-K230 WeakPolarHBondContact O-CG 3.3Å; I226-K230 PolarHBondContact O-N 2.94Å; I226-K230 VanDerWaalsContact O-N 3.15Å |
| 227 | Q | 52.3 | Low | 59 | Low | 130 Ų | 130 | 126 Ų | 126 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.2 | -37.3 | 174.1 | -85.6 | -175.8 | -23 | 0 | 0 | 112.7 | T223 C224 Q225 L231 | T223-Q227 PolarHBondContact O-N 2.82Å; C224-Q227 WeakPolarHBondContact O-CB 3.45Å; C224-Q227 PolarHBondContact O-N 2.91Å; C224-Q227 VanDerWaalsContact O-N 3.14Å; Q225-Q227 VanDerWaalsContact C-N 3.28Å; Q225-Q227 PolarHBondContact O-N 3.33Å; Q227-L231 PolarHBondContact O-N 3.11Å |
| 228 | F | 51 | Low | 57.9 | Low | 143 Ų | 143 | 129.6 Ų | 129.6 | 63% | 0.627 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.9 | -42.9 | 174.8 | -81.4 | -74.7 | 0 | 0 | 0 | 111.8 | C224 Q225 K230 L231 D232 | C224-F228 WeakPolarHBondContact O-CD2 3.47Å; C224-F228 PolarHBondContact O-N 3.09Å; Q225-F228 PolarHBondContact O-N 3.27Å; Q225-F228 VanDerWaalsContact O-N 3.17Å; F228-K230 VanDerWaalsContact C-N 3.32Å; F228-K230 PolarHBondContact O-N 3.27Å; F228-L231 PolarHBondContact O-N 3.42Å; F228-L231 VanDerWaalsContact O-N 3.08Å; F228-D232 PolarHBondContact O-N 2.92Å |
| 229 | E | 53 | Low | 56.7 | Low | 130 Ų | 130 | 128.8 Ų | 128.8 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.5 | -39.4 | 175.8 | -72.6 | 174.9 | 173.8 | 0 | 0 | 112.1 | Q225 L231 D232 E233 | Q225-E229 WeakPolarHBondContact O-CG 3.1Å; Q225-E229 PolarHBondContact O-N 3.48Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 3.23Å; E229-D232 PolarHBondContact O-N 2.82Å; E229-E233 PolarHBondContact O-N 3.36Å |
| 230 | K | 53.1 | Low | 55.3 | Low | 134 Ų | 134 | 127.9 Ų | 127.9 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.2 | -21 | 175.2 | -79.6 | -175.1 | 176.6 | -176 | 0 | 114.7 | I226 F228 I234 | I226-K230 WeakPolarHBondContact O-CB 3.31Å; I226-K230 WeakPolarHBondContact O-CG 3.3Å; I226-K230 PolarHBondContact O-N 2.94Å; I226-K230 VanDerWaalsContact O-N 3.15Å; F228-K230 VanDerWaalsContact C-N 3.32Å; F228-K230 PolarHBondContact O-N 3.27Å; K230-I234 WeakPolarHBondContact O-CD1 3.28Å; K230-I234 WeakPolarHBondContact O-CG1 3.4Å |
| 231 | L | 51.3 | Low | 54.4 | Low | 108 Ų | 108 | 129.6 Ų | 129.6 | 57% | 0.565 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.6 | -29.4 | 175.5 | -83.2 | 160.9 | 0 | 0 | 0 | 111.8 | Q227 F228 E229 | Q227-L231 PolarHBondContact O-N 3.11Å; F228-L231 PolarHBondContact O-N 3.42Å; F228-L231 VanDerWaalsContact O-N 3.08Å; E229-L231 VanDerWaalsContact C-N 3.31Å; E229-L231 PolarHBondContact O-N 3.23Å |
| 232 | D | 51.2 | Low | 53.4 | Low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.6 | -26.8 | 175.5 | -72.6 | -29.4 | 0 | 0 | 0 | 112.3 | F228 E229 I234 | F228-D232 PolarHBondContact O-N 2.92Å; E229-D232 PolarHBondContact O-N 2.82Å; D232-I234 PolarHBondContact O-N 3.24Å |
| 233 | E | 54.4 | Low | 52.8 | Low | 164 Ų | 164 | 132.6 Ų | 132.6 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -3.6 | 172.8 | -74.5 | -174.3 | 163.8 | 0 | 0 | 114.7 | E229 | E229-E233 PolarHBondContact O-N 3.36Š|
| 234 | I | 54.7 | Low | 52.2 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 15.2 | 179.7 | -60.9 | 171.9 | 0 | 0 | 0 | 111.7 | K230 D232 | K230-I234 WeakPolarHBondContact O-CD1 3.28Å; K230-I234 WeakPolarHBondContact O-CG1 3.4Å; D232-I234 PolarHBondContact O-N 3.24Å |
| 235 | K | 46.9 | Very low | 51.6 | Low | 176 Ų | 176 | 142.7 Ų | 142.7 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -113 | 19.7 | -177.3 | -79.7 | -172.4 | 178.5 | 173.1 | 0 | 116.9 | ||||
| 236 | E | 38.4 | Very low | 51.1 | Low | 263 Ų | 263 | 144.2 Ų | 144.2 | 100% | 1.229 | 68% | 0.683 | S | S | * | * | trans | -117.4 | 0 | 163.3 | -71.6 | -171.7 | 161.4 | 0 | 0 | 111.3 |
Retrieved 236 of 236 residues in 241.1 ms
(Link to these results)