| 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 | 95.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 72.4 Ų | 72.4 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | 0 | 145 | 0 | -62.2 | -177.9 | 68.7 | 0 | 0 | 108.6 | E5 V6 I9 W40 L82 C125 F127 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 3.87Å; M1-V6 HydrophobicContact CB-CG2 3.84Å; M1-I9 HydrophobicContact CE-CG2 3.93Å; M1-W40 HydrophobicContact SD-CH2 4.05Å; M1-L82 HydrophobicContact CE-CD1 3.69Å; M1-L82 HydrophobicContact CE-CD2 4.13Å; M1-C125 VanDerWaalsContact SD-C 3.56Å; M1-C125 HydrophobicContact SD-CB 4.18Å; M1-F127 HydrophobicContact CE-CD1 4.47Å; M1-F127 HydrophobicContact CG-CD1 3.9Å; M1-F127 HydrophobicContact CG-CE1 3.92Å; M1-F127 HydrophobicContact SD-CD1 4.4Å | |||
| 2 | T | 97.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | trans | -75.2 | 166.1 | 169.7 | 70.7 | 0 | 0 | 0 | 0 | 110.4 | E4 E5 V6 | T2-E4 PolarHBondContact O-N 3.05Å; T2-E5 PolarHBondContact N-OE2 3.32Å; T2-E5 PolarHBondContact O-N 2.03Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å; T2-E5 PolarHBondContact OG1-N 3.14Å; T2-E5 VanDerWaalsContact OG1-N 3.14Å; T2-V6 WeakPolarHBondContact O-CG2 2.86Å; T2-V6 PolarHBondContact O-N 3.05Å | ||
| 3 | A | 98 | Very high | 98.3 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.9 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V6 Q7 | A3-V6 PolarHBondContact O-N 3.19Å; A3-Q7 WeakPolarHBondContact O-CB 3Å; A3-Q7 WeakPolarHBondContact O-CG 2.96Å; A3-Q7 PolarHBondContact O-N 3.07Å |
| 4 | E | 98.4 | Very high | 98.3 | Very high | 153 Ų | 153 | 60.3 Ų | 60.3 | 72% | 0.715 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.7 | -42.6 | 176.4 | -65.3 | 175.1 | 173.3 | 0 | 0 | 111.8 | T2 V6 Q7 L8 | T2-E4 PolarHBondContact O-N 3.05Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.1Å; E4-Q7 PolarHBondContact O-N 2.72Å; E4-L8 VanDerWaalsContact O-CB 3.32Å; E4-L8 WeakPolarHBondContact O-CB 3.31Å; E4-L8 PolarHBondContact O-N 2.76Å |
| 5 | E | 98.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175.7 | -74.1 | 174.2 | 158.2 | 0 | 0 | 111.8 | M1 T2 I9 L82 F127 | M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 4.1Å; M1-E5 HydrophobicContact CE-CB 3.87Å; T2-E5 PolarHBondContact N-OE2 3.32Å; T2-E5 PolarHBondContact O-N 2.03Å; T2-E5 WeakPolarHBondContact OG1-CG 3.46Å; T2-E5 PolarHBondContact OG1-N 3.14Å; T2-E5 VanDerWaalsContact OG1-N 3.14Å; E5-I9 WeakPolarHBondContact O-CG2 3.44Å; E5-I9 PolarHBondContact O-N 3.02Å; E5-I9 VanDerWaalsContact O-N 3.11Å; E5-L82 HydrophobicContact CB-CD1 3.53Å; E5-L82 HydrophobicContact CG-CD1 3.67Å; E5-F127 WeakPolarHBondContact OE1-CZ 3.38Å |
| 6 | V | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 61.9 Ų | 61.9 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.8 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | M1 T2 A3 E4 L8 I9 L10 W40 | M1-V6 HydrophobicContact CB-CG2 3.84Å; T2-V6 WeakPolarHBondContact O-CG2 2.86Å; T2-V6 PolarHBondContact O-N 3.05Å; A3-V6 PolarHBondContact O-N 3.19Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.1Å; V6-L8 PolarHBondContact O-N 3.2Å; V6-I9 WeakPolarHBondContact O-CG2 3.37Å; V6-L10 VanDerWaalsContact O-CB 3.27Å; V6-L10 WeakPolarHBondContact O-CB 3.42Å; V6-L10 PolarHBondContact O-N 3.01Å; V6-L10 VanDerWaalsContact O-N 3.1Å; V6-W40 HydrophobicContact CB-CH2 4.43Å; V6-W40 HydrophobicContact CB-CZ2 4.4Å; V6-W40 HydrophobicContact CG1-CD2 3.6Å; V6-W40 HydrophobicContact CG1-CE3 3.82Å; V6-W40 HydrophobicContact CG1-CG 4.05Å; V6-W40 HydrophobicContact CG1-CH2 4.14Å; V6-W40 HydrophobicContact CG1-CZ2 3.97Å; V6-W40 HydrophobicContact CG1-CZ3 4.09Å; V6-W40 HydrophobicContact CG2-CH2 3.94Å; V6-W40 HydrophobicContact CG2-CZ2 3.67Å |
| 7 | Q | 98.6 | Very high | 98.4 | Very high | 133 Ų | 133 | 58.4 Ų | 58.4 | 62% | 0.621 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.9 | -46 | 177.6 | -77.9 | -178.8 | -7 | 0 | 0 | 111.7 | A3 E4 L10 Q11 | A3-Q7 WeakPolarHBondContact O-CB 3Å; A3-Q7 WeakPolarHBondContact O-CG 2.96Å; A3-Q7 PolarHBondContact O-N 3.07Å; E4-Q7 PolarHBondContact O-N 2.72Å; Q7-L10 PolarHBondContact O-N 2.77Å; Q7-Q11 WeakPolarHBondContact O-CB 3.37Å; Q7-Q11 PolarHBondContact O-N 3.33Å |
| 8 | L | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 57.9 Ų | 57.9 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -54.4 | -179.8 | 175.2 | 62.2 | 0 | 0 | 0 | 111.6 | E4 V6 L10 Q11 V12 L82 A83 | E4-L8 VanDerWaalsContact O-CB 3.32Å; E4-L8 WeakPolarHBondContact O-CB 3.31Å; E4-L8 PolarHBondContact O-N 2.76Å; V6-L8 PolarHBondContact O-N 3.2Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.45Å; L8-Q11 PolarHBondContact O-N 2.82Å; L8-V12 HydrophobicContact CD1-CG2 4.18Å; L8-V12 WeakPolarHBondContact O-CG2 3.35Å; L8-V12 PolarHBondContact O-N 3.39Å; L8-L82 HydrophobicContact CD2-CB 4.48Å; L8-A83 HydrophobicContact CD1-CB 4.46Å |
| 9 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -38 | -175.1 | -162 | 162.9 | 0 | 0 | 0 | 111.3 | M1 E5 V6 H13 W40 L82 V86 C125 I141 | M1-I9 HydrophobicContact CE-CG2 3.93Å; E5-I9 WeakPolarHBondContact O-CG2 3.44Å; E5-I9 PolarHBondContact O-N 3.02Å; E5-I9 VanDerWaalsContact O-N 3.11Å; V6-I9 WeakPolarHBondContact O-CG2 3.37Å; I9-H13 PolarHBondContact O-N 3.29Å; I9-H13 PolarHBondContact O-ND1 2.92Å; I9-W40 HydrophobicContact CG2-CH2 4.35Å; I9-W40 HydrophobicContact CG2-CZ3 3.8Å; I9-L82 HydrophobicContact CB-CB 4.46Å; I9-L82 HydrophobicContact CD1-CB 4.32Å; I9-L82 HydrophobicContact CD1-CD2 4.37Å; I9-V86 HydrophobicContact CD1-CG2 4.36Å; I9-V86 HydrophobicContact CG1-CG2 3.76Å; I9-C125 HydrophobicContact CD1-CB 3.89Å; I9-C125 HydrophobicContact CG2-CB 4.37Å; I9-I141 HydrophobicContact CD1-CG2 4.41Å |
| 10 | L | 98.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 56.4 Ų | 56.4 | 18% | 0.183 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.3 | -176.6 | 65.1 | 0 | 0 | 0 | 111.6 | V6 Q7 L8 V12 H13 N14 L38 W40 V123 | V6-L10 VanDerWaalsContact O-CB 3.27Å; V6-L10 WeakPolarHBondContact O-CB 3.42Å; V6-L10 PolarHBondContact O-N 3.01Å; V6-L10 VanDerWaalsContact O-N 3.1Å; Q7-L10 PolarHBondContact O-N 2.77Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.45Å; L10-V12 PolarHBondContact O-N 2.9Å; L10-H13 PolarHBondContact O-N 3.25Å; L10-N14 WeakPolarHBondContact O-CB 3.35Å; L10-N14 PolarHBondContact O-N 2.68Å; L10-N14 PolarHBondContact O-ND2 2.69Å; L10-L38 HydrophobicContact CD1-CB 4.24Å; L10-L38 WeakPolarHBondContact CD1-O 3.35Å; L10-W40 HydrophobicContact CD2-CB 4.22Å; L10-V123 HydrophobicContact CD1-CG1 3.58Å |
| 11 | Q | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 54.8 Ų | 54.8 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 177.6 | 177.7 | 179.9 | -13.2 | 0 | 0 | 110.8 | Q7 L8 H13 N14 E15 | Q7-Q11 WeakPolarHBondContact O-CB 3.37Å; Q7-Q11 PolarHBondContact O-N 3.33Å; L8-Q11 PolarHBondContact O-N 2.82Å; Q11-H13 VanDerWaalsContact C-N 3.35Å; Q11-H13 PolarHBondContact O-N 3.29Å; Q11-N14 CarbonylContact O-C 3.56Å; Q11-N14 PolarHBondContact O-N 3.38Å; Q11-E15 HydrophobicContact CG-CG 4.27Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.4Å; Q11-E15 PolarHBondContact NE2-OE1 2.75Å; Q11-E15 WeakPolarHBondContact O-CG 3.36Å; Q11-E15 PolarHBondContact O-N 3.29Å |
| 12 | V | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | -178.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | L8 L10 N14 E15 H16 A83 V86 | L8-V12 HydrophobicContact CD1-CG2 4.18Å; L8-V12 WeakPolarHBondContact O-CG2 3.35Å; L8-V12 PolarHBondContact O-N 3.39Å; L10-V12 PolarHBondContact O-N 2.9Å; V12-N14 VanDerWaalsContact C-N 3.3Å; V12-N14 PolarHBondContact O-N 3.21Å; V12-E15 PolarHBondContact O-N 3.32Å; V12-H16 PolarHBondContact O-CD2 2.87Å; V12-H16 PolarHBondContact O-N 3.15Å; V12-H16 VanDerWaalsContact O-N 3.15Å; V12-A83 HydrophobicContact CG2-CB 4.01Å; V12-V86 HydrophobicContact CB-CB 4.45Å; V12-V86 HydrophobicContact CB-CG1 4.49Å; V12-V86 HydrophobicContact CG1-CB 3.76Å; V12-V86 HydrophobicContact CG1-CG1 3.78Å; V12-V86 HydrophobicContact CG1-CG2 4.38Å |
| 13 | H | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 171.3 | -79.4 | 83.6 | 0 | 0 | 0 | 111.4 | I9 L10 Q11 H16 R17 L38 V86 Y145 | I9-H13 PolarHBondContact O-N 3.29Å; I9-H13 PolarHBondContact O-ND1 2.92Å; L10-H13 PolarHBondContact O-N 3.25Å; Q11-H13 VanDerWaalsContact C-N 3.35Å; Q11-H13 PolarHBondContact O-N 3.29Å; H13-H16 PolarHBondContact O-N 3.4Å; H13-R17 WeakPolarHBondContact O-CG 3.45Å; H13-R17 PolarHBondContact O-N 3.46Å; H13-R17 VanDerWaalsContact O-N 3.08Å; H13-L38 HydrophobicContact CB-CD1 4.17Å; H13-V86 WeakPolarHBondContact CE1-CG2 3.32Å; H13-Y145 AromaticContact CD2-CE1 3.78Å; H13-Y145 AromaticContact NE2-CE1 3.52Å; H13-Y145 AromaticContact NE2-CZ 3.57Å; H13-Y145 PolarHBondContact NE2-OH 3.1Å |
| 14 | N | 98.9 | Very high | 98.2 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.3 | -31.8 | -175.6 | -72.1 | -19.9 | 0 | 0 | 0 | 112.8 | L10 Q11 V12 R17 A18 P37 L38 | L10-N14 WeakPolarHBondContact O-CB 3.35Å; L10-N14 PolarHBondContact O-N 2.68Å; L10-N14 PolarHBondContact O-ND2 2.69Å; Q11-N14 CarbonylContact O-C 3.56Å; Q11-N14 PolarHBondContact O-N 3.38Å; V12-N14 VanDerWaalsContact C-N 3.3Å; V12-N14 PolarHBondContact O-N 3.21Å; N14-R17 PolarHBondContact O-N 3.43Å; N14-A18 VanDerWaalsContact O-CB 3.24Å; N14-A18 WeakPolarHBondContact O-CB 3.24Å; N14-A18 PolarHBondContact O-N 3.36Å; N14-P37 HydrophobicContact CB-CB 4.28Å; N14-P37 WeakPolarHBondContact OD1-CA 3.5Å; N14-L38 PolarHBondContact ND2-O 2.89Å; N14-L38 VanDerWaalsContact ND2-O 3.17Å; N14-L38 PolarHBondContact OD1-N 3.43Å |
| 15 | E | 98.7 | Very high | 98 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 170.5 | -75.4 | 175.4 | -179 | 0 | 0 | 111.3 | Q11 V12 A18 Y19 | Q11-E15 HydrophobicContact CG-CG 4.27Å; Q11-E15 WeakPolarHBondContact CG-OE1 3.4Å; Q11-E15 PolarHBondContact NE2-OE1 2.75Å; Q11-E15 WeakPolarHBondContact O-CG 3.36Å; Q11-E15 PolarHBondContact O-N 3.29Å; V12-E15 PolarHBondContact O-N 3.32Å; E15-A18 PolarHBondContact O-N 2.9Å; E15-Y19 WeakPolarHBondContact O-CB 3.48Å; E15-Y19 PolarHBondContact O-N 2.84Å |
| 16 | H | 98.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 176.9 | -76.8 | -62.7 | 0 | 0 | 0 | 113.2 | V12 H13 Y19 R20 M90 | V12-H16 PolarHBondContact O-CD2 2.87Å; V12-H16 PolarHBondContact O-N 3.15Å; V12-H16 VanDerWaalsContact O-N 3.15Å; H13-H16 PolarHBondContact O-N 3.4Å; H16-Y19 WeakPolarHBondContact O-CB 3.41Å; H16-Y19 PolarHBondContact O-N 3.27Å; H16-R20 PolarHBondContact O-N 3Å; H16-M90 HydrophobicContact CB-CE 3.82Å; H16-M90 HydrophobicContact CB-CG 4.26Å; H16-M90 HydrophobicContact CB-SD 4.02Å |
| 17 | R | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 173 | -69.8 | 175.1 | 69.5 | 85.3 | -6 | 111.3 | H13 N14 Y19 R20 L35 Q36 I115 Q117 T120 | H13-R17 WeakPolarHBondContact O-CG 3.45Å; H13-R17 PolarHBondContact O-N 3.46Å; H13-R17 VanDerWaalsContact O-N 3.08Å; N14-R17 PolarHBondContact O-N 3.43Å; R17-Y19 VanDerWaalsContact C-N 3.29Å; R17-Y19 PolarHBondContact O-N 3.19Å; R17-R20 PolarHBondContact O-N 3.41Å; R17-R20 VanDerWaalsContact O-N 3.17Å; R17-L35 HydrophobicContact CB-CB 4.11Å; R17-L35 HydrophobicContact CB-CD1 4.39Å; R17-Q36 VanDerWaalsContact CZ-O 3.27Å; R17-Q36 PolarHBondContact NE-O 2.91Å; R17-Q36 PolarHBondContact NH2-O 3.09Å; R17-I115 WeakPolarHBondContact CD-O 2.97Å; R17-I115 WeakPolarHBondContact CG-O 3.45Å; R17-I115 PolarHBondContact NH1-O 3.18Å; R17-Q117 PolarHBondContact NH1-O 3.24Å; R17-Q117 PolarHBondContact NH2-O 3.11Å; R17-T120 PolarHBondContact NH2-O 2.94Å |
| 18 | A | 98.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N14 E15 R20 N21 | N14-A18 VanDerWaalsContact O-CB 3.24Å; N14-A18 WeakPolarHBondContact O-CB 3.24Å; N14-A18 PolarHBondContact O-N 3.36Å; E15-A18 PolarHBondContact O-N 2.9Å; A18-R20 VanDerWaalsContact C-N 3.28Å; A18-R20 PolarHBondContact O-N 3.27Å; A18-N21 WeakPolarHBondContact O-CA 3.48Å; A18-N21 VanDerWaalsContact O-CB 3.26Å; A18-N21 WeakPolarHBondContact O-CB 3.45Å; A18-N21 PolarHBondContact O-N 2.82Å |
| 19 | Y | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.6 | -39.6 | 176.7 | -167.6 | -109.1 | 0 | 0 | 0 | 111.9 | E15 H16 R17 N21 L22 K25 D27 I28 | E15-Y19 WeakPolarHBondContact O-CB 3.48Å; E15-Y19 PolarHBondContact O-N 2.84Å; H16-Y19 WeakPolarHBondContact O-CB 3.41Å; H16-Y19 PolarHBondContact O-N 3.27Å; R17-Y19 VanDerWaalsContact C-N 3.29Å; R17-Y19 PolarHBondContact O-N 3.19Å; Y19-N21 PolarHBondContact O-N 2.98Å; Y19-L22 HydrophobicContact CD2-CD1 3.79Å; Y19-L22 HydrophobicContact CE2-CD1 4.15Å; Y19-L22 WeakPolarHBondContact O-CB 3.14Å; Y19-L22 WeakPolarHBondContact O-CG 3.25Å; Y19-L22 PolarHBondContact O-N 2.94Å; Y19-L22 VanDerWaalsContact O-N 3.11Å; Y19-K25 HydrophobicContact CE1-CG 4.4Å; Y19-K25 HydrophobicContact CE2-CD 3.86Å; Y19-K25 HydrophobicContact CE2-CG 3.87Å; Y19-D27 WeakPolarHBondContact CE1-OD2 3.35Å; Y19-D27 PolarHBondContact OH-OD1 2.91Å; Y19-D27 VanDerWaalsContact OH-OD1 3.1Å; Y19-D27 PolarHBondContact OH-OD2 3.19Å; Y19-I28 HydrophobicContact CD1-CD1 4.17Å; Y19-I28 HydrophobicContact CD1-CG2 3.75Å; Y19-I28 HydrophobicContact CE1-CD1 4.32Å; Y19-I28 HydrophobicContact CE1-CG1 4.37Å; Y19-I28 HydrophobicContact CE1-CG2 3.49Å; Y19-I28 VanDerWaalsContact CE1-CG2 3.49Å; Y19-I28 WeakPolarHBondContact O-CD1 3.47Å |
| 20 | R | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.038 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.9 | -13.7 | 174.8 | -60.7 | -48.8 | -173.5 | -89.2 | 16.1 | 113.7 | H16 R17 A18 L22 I28 P30 A31 L35 S93 V116 Y155 | H16-R20 PolarHBondContact O-N 3Å; R17-R20 PolarHBondContact O-N 3.41Å; R17-R20 VanDerWaalsContact O-N 3.17Å; A18-R20 VanDerWaalsContact C-N 3.28Å; A18-R20 PolarHBondContact O-N 3.27Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-I28 VanDerWaalsContact CZ-CG2 3.47Å; R20-P30 CarbonylContact O-C 3.59Å; R20-P30 WeakPolarHBondContact O-CA 3.27Å; R20-A31 PolarHBondContact O-N 3.48Å; R20-L35 HydrophobicContact CB-CD1 3.81Å; R20-L35 HydrophobicContact CG-CD1 4.41Å; R20-S93 PolarHBondContact NH2-OG 2.83Å; R20-V116 HydrophobicContact CG-CB 4.49Å; R20-V116 HydrophobicContact CG-CG1 4.05Å; R20-Y155 HydrophobicContact CB-CE1 4.37Å; R20-Y155 WeakPolarHBondContact CD-OH 3.29Å; R20-Y155 HydrophobicContact CG-CE1 4.19Å |
| 21 | N | 98 | Very high | 97.3 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8.3 | 174.1 | -60.5 | -34.1 | 0 | 0 | 0 | 113.2 | A18 Y19 I34 L35 R162 | A18-N21 WeakPolarHBondContact O-CA 3.48Å; A18-N21 VanDerWaalsContact O-CB 3.26Å; A18-N21 WeakPolarHBondContact O-CB 3.45Å; A18-N21 PolarHBondContact O-N 2.82Å; Y19-N21 PolarHBondContact O-N 2.98Å; N21-I34 HydrophobicContact CB-CD1 3.98Å; N21-I34 WeakPolarHBondContact ND2-CG2 3.3Å; N21-I34 WeakPolarHBondContact OD1-CA 3.38Å; N21-L35 PolarHBondContact ND2-N 2.89Å; N21-L35 PolarHBondContact ND2-O 3.06Å; N21-L35 VanDerWaalsContact ND2-O 3.16Å; N21-L35 PolarHBondContact OD1-N 3.47Å; N21-R162 VanDerWaalsContact O-CZ 3.29Å; N21-R162 PolarHBondContact O-NH1 3.15Å; N21-R162 PolarHBondContact O-NH2 3.04Å |
| 22 | L | 97.4 | Very high | 97.2 | Very high | 69 Ų | 69 | 51.4 Ų | 51.4 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | trans | -81.6 | 140.1 | -179.6 | -57.8 | -179.8 | 0 | 0 | 0 | 112 | Y19 R20 K25 P30 | Y19-L22 HydrophobicContact CD2-CD1 3.79Å; Y19-L22 HydrophobicContact CE2-CD1 4.15Å; Y19-L22 WeakPolarHBondContact O-CB 3.14Å; Y19-L22 WeakPolarHBondContact O-CG 3.25Å; Y19-L22 PolarHBondContact O-N 2.94Å; Y19-L22 VanDerWaalsContact O-N 3.11Å; R20-L22 VanDerWaalsContact C-N 3.33Å; L22-K25 HydrophobicContact CB-CG 3.72Å; L22-K25 HydrophobicContact CD1-CD 4.33Å; L22-K25 VanDerWaalsContact CD1-CE 3.4Å; L22-K25 HydrophobicContact CD1-CG 3.93Å; L22-K25 HydrophobicContact CG-CG 4.48Å; L22-P30 WeakPolarHBondContact O-CB 3.25Å | ||
| 23 | C | 96.2 | Very high | 97.1 | Very high | 30 Ų | 30 | 57.3 Ų | 57.3 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -102.1 | -7.4 | -176.8 | -74.5 | 0 | 0 | 0 | 0 | 114.5 | C163 | C23-C163 WeakPolarHBondContact CA-SG 3.49Å; C23-C163 HydrophobicContact CB-CB 3.57Å; C23-C163 WeakPolarHBondContact CB-SG 3.47Å; C23-C163 WeakPolarHBondContact SG-CA 3.11Å; C23-C163 WeakPolarHBondContact SG-CB 3.41Å; C23-C163 CovalentContact SG-SG 2.04Å; C23-C163 PolarHBondContact SG-SG 3.23Å |
| 24 | D | 93.8 | Very high | 97 | Very high | 114 Ų | 114 | 61.4 Ų | 61.4 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -101.9 | -1.1 | -176.5 | 67.3 | -35 | 0 | 0 | 0 | 113 | ||
| 25 | K | 95.1 | Very high | 97 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | trans | -87.7 | 138.9 | 178 | -55.9 | -54.8 | 175.8 | -171.9 | 0 | 110.7 | Y19 L22 I28 | Y19-K25 HydrophobicContact CE1-CG 4.4Å; Y19-K25 HydrophobicContact CE2-CD 3.86Å; Y19-K25 HydrophobicContact CE2-CG 3.87Å; L22-K25 HydrophobicContact CB-CG 3.72Å; L22-K25 HydrophobicContact CD1-CD 4.33Å; L22-K25 VanDerWaalsContact CD1-CE 3.4Å; L22-K25 HydrophobicContact CD1-CG 3.93Å; L22-K25 HydrophobicContact CG-CG 4.48Å; K25-I28 HydrophobicContact CB-CD1 3.85Å; K25-I28 HydrophobicContact CB-CG1 3.53Å; K25-I28 HydrophobicContact CG-CD1 4.35Å; K25-I28 HydrophobicContact CG-CG1 4.5Å | ||
| 26 | K | 92.9 | Very high | 97 | Very high | 207 Ų | 207 | 61.4 Ų | 61.4 | 90% | 0.9 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -106.3 | -17.3 | -174.1 | -67.5 | -175.2 | 178.1 | -179.9 | 0 | 113.3 | I28 | K26-I28 VanDerWaalsContact C-N 3.3Š|
| 27 | D | 94.7 | Very high | 97 | Very high | 110 Ų | 110 | 63 Ų | 63 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -88.2 | 1.4 | 179.9 | 59 | -54.4 | 0 | 0 | 0 | 112.5 | Y19 | Y19-D27 WeakPolarHBondContact CE1-OD2 3.35Å; Y19-D27 PolarHBondContact OH-OD1 2.91Å; Y19-D27 VanDerWaalsContact OH-OD1 3.1Å; Y19-D27 PolarHBondContact OH-OD2 3.19Å |
| 28 | I | 96.7 | Very high | 97 | Very high | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -133.4 | 157.9 | 178.6 | 59.5 | 157.5 | 0 | 0 | 0 | 111.9 | Y19 R20 K25 K26 | Y19-I28 HydrophobicContact CD1-CD1 4.17Å; Y19-I28 HydrophobicContact CD1-CG2 3.75Å; Y19-I28 HydrophobicContact CE1-CD1 4.32Å; Y19-I28 HydrophobicContact CE1-CG1 4.37Å; Y19-I28 HydrophobicContact CE1-CG2 3.49Å; Y19-I28 VanDerWaalsContact CE1-CG2 3.49Å; Y19-I28 WeakPolarHBondContact O-CD1 3.47Å; R20-I28 VanDerWaalsContact CZ-CG2 3.47Å; K25-I28 HydrophobicContact CB-CD1 3.85Å; K25-I28 HydrophobicContact CB-CG1 3.53Å; K25-I28 HydrophobicContact CG-CD1 4.35Å; K25-I28 HydrophobicContact CG-CG1 4.5Å; K26-I28 VanDerWaalsContact C-N 3.3Å |
| 29 | V | 97.2 | Very high | 97 | Very high | 42 Ų | 42 | 66.3 Ų | 66.3 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 120 | 158.9 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | H98 Y155 D157 | V29-H98 HydrophobicContact CB-CB 4.24Å; V29-H98 HydrophobicContact CG1-CB 4.37Å; V29-H98 HydrophobicContact CG2-CB 3.77Å; V29-Y155 HydrophobicContact CB-CE2 4.49Å; V29-Y155 HydrophobicContact CG1-CE2 4.33Å; V29-Y155 VanDerWaalsContact O-CE2 3.25Å; V29-Y155 WeakPolarHBondContact O-CE2 3.48Å; V29-Y155 PolarHBondContact O-OH 2.85Å; V29-D157 HydrophobicContact CG1-CB 3.77Å; V29-D157 WeakPolarHBondContact CG1-OD1 3.21Å |
| 30 | P | 97.8 | Very high | 97 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 145.4 | 179.1 | 29.2 | -35.4 | 0 | 0 | 0 | 111.6 | R20 L22 A158 T159 C163 | R20-P30 CarbonylContact O-C 3.59Å; R20-P30 WeakPolarHBondContact O-CA 3.27Å; L22-P30 WeakPolarHBondContact O-CB 3.25Å; P30-A158 HydrophobicContact CB-CB 3.83Å; P30-A158 HydrophobicContact CG-CB 3.82Å; P30-A158 VanDerWaalsContact O-CB 3.3Å; P30-A158 WeakPolarHBondContact O-CB 3.18Å; P30-A158 PolarHBondContact O-N 3.4Å; P30-T159 WeakPolarHBondContact CD-OG1 3.01Å; P30-C163 VanDerWaalsContact CB-SG 3.54Å; P30-C163 VanDerWaalsContact CG-SG 3.59Å |
| 31 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 132.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R20 E33 L35 Y155 T156 A158 R162 | R20-A31 PolarHBondContact O-N 3.48Å; A31-E33 VanDerWaalsContact CB-O 3.28Å; A31-E33 WeakPolarHBondContact CB-O 3.43Å; A31-L35 HydrophobicContact CB-CD1 4.28Å; A31-L35 HydrophobicContact CB-CD2 3.97Å; A31-L35 HydrophobicContact CB-CG 3.82Å; A31-Y155 HydrophobicContact CB-CD1 4.47Å; A31-Y155 HydrophobicContact CB-CD2 3.57Å; A31-Y155 HydrophobicContact CB-CE2 3.97Å; A31-Y155 HydrophobicContact CB-CG 3.83Å; A31-T156 CarbonylContact C-O 3.55Å; A31-A158 VanDerWaalsContact C-CB 3.43Å; A31-A158 VanDerWaalsContact O-CB 3.28Å; A31-A158 WeakPolarHBondContact O-CB 3.48Å; A31-R162 VanDerWaalsContact O-CZ 3.26Å; A31-R162 PolarHBondContact O-NE 2.86Å; A31-R162 PolarHBondContact O-NH2 3.28Å |
| 32 | E | 96.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 70 Ų | 70 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -65.5 | -51.7 | -179.9 | -179.7 | 176.8 | -171.2 | 0 | 0 | 110.2 | T156 A158 R161 R162 | E32-T156 HydrophobicContact CB-CG2 4.3Å; E32-T156 WeakPolarHBondContact CB-O 3.44Å; E32-T156 PolarHBondContact N-O 3.48Å; E32-T156 WeakPolarHBondContact OE2-CG2 3.19Å; E32-A158 HydrophobicContact CB-CB 4.28Å; E32-R161 VanDerWaalsContact CD-NH1 3.31Å; E32-R161 HydrophobicContact CG-CB 4.39Å; E32-R161 WeakPolarHBondContact OE1-CD 3.06Å; E32-R161 IonicContact OE1-CZ 2.71Å; E32-R161 IonicContact OE1-NE 3.06Å; E32-R161 IonicContact OE1-NH1 3.89Å; E32-R161 PolarHBondContact OE1-NH1 2.88Å; E32-R161 WeakPolarHBondContact OE2-CD 3.35Å; E32-R161 IonicContact OE2-CZ 3.43Å; E32-R161 IonicContact OE2-NE 2.74Å; E32-R161 IonicContact OE2-NH1 3.39Å; E32-R161 PolarHBondContact OE2-NH1 3.16Å; E32-R162 WeakPolarHBondContact O-CD 3.27Å; E32-R162 PolarHBondContact O-NE 3.44Å; E32-R162 VanDerWaalsContact O-NE 3.16Å |
| 33 | E | 95.4 | Very high | 97.1 | Very high | 141 Ų | 141 | 70.7 Ų | 70.7 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -85.4 | 144.8 | 169.7 | -64.8 | -178.9 | -175.5 | 0 | 0 | 109.8 | A31 L35 | A31-E33 VanDerWaalsContact CB-O 3.28Å; A31-E33 WeakPolarHBondContact CB-O 3.43Å; E33-L35 PolarHBondContact O-N 3.35Å; E33-L35 VanDerWaalsContact O-N 3.16Å |
| 34 | I | 97.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | trans | -69.2 | 115 | 177 | -60 | -59.7 | 0 | 0 | 0 | 108.2 | N21 Q36 | N21-I34 HydrophobicContact CB-CD1 3.98Å; N21-I34 WeakPolarHBondContact ND2-CG2 3.3Å; N21-I34 WeakPolarHBondContact OD1-CA 3.38Å; I34-Q36 PolarHBondContact O-N 3.44Å; I34-Q36 PolarHBondContact O-NE2 3.4Å | ||
| 35 | L | 98.5 | Very high | 97.5 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -61.7 | 112.2 | 172.4 | -55 | -173 | 0 | 0 | 0 | 108.4 | R17 R20 N21 A31 E33 V116 A118 Y155 | R17-L35 HydrophobicContact CB-CB 4.11Å; R17-L35 HydrophobicContact CB-CD1 4.39Å; R20-L35 HydrophobicContact CB-CD1 3.81Å; R20-L35 HydrophobicContact CG-CD1 4.41Å; N21-L35 PolarHBondContact ND2-N 2.89Å; N21-L35 PolarHBondContact ND2-O 3.06Å; N21-L35 VanDerWaalsContact ND2-O 3.16Å; N21-L35 PolarHBondContact OD1-N 3.47Å; A31-L35 HydrophobicContact CB-CD1 4.28Å; A31-L35 HydrophobicContact CB-CD2 3.97Å; A31-L35 HydrophobicContact CB-CG 3.82Å; E33-L35 PolarHBondContact O-N 3.35Å; E33-L35 VanDerWaalsContact O-N 3.16Å; L35-V116 HydrophobicContact CD1-CB 4.16Å; L35-V116 WeakPolarHBondContact CD1-O 3.49Å; L35-A118 HydrophobicContact CD2-CB 3.91Å; L35-Y155 HydrophobicContact CD1-CD1 4.07Å; L35-Y155 HydrophobicContact CD1-CE1 4.34Å; L35-Y155 HydrophobicContact CD2-CD1 4.32Å; L35-Y155 HydrophobicContact CD2-CG 4.34Å | ||
| 36 | Q | 98.5 | Very high | 97.6 | Very high | 122 Ų | 122 | 63.9 Ų | 63.9 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 147.2 | 177.9 | -62.2 | -53.2 | -63.7 | 0 | 0 | 110.1 | R17 I34 | R17-Q36 VanDerWaalsContact CZ-O 3.27Å; R17-Q36 PolarHBondContact NE-O 2.91Å; R17-Q36 PolarHBondContact NH2-O 3.09Å; I34-Q36 PolarHBondContact O-N 3.44Å; I34-Q36 PolarHBondContact O-NE2 3.4Å |
| 37 | P | 98.7 | Very high | 97.8 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 141.4 | 171.4 | 26.8 | -34.1 | 0 | 0 | 0 | 109.8 | N14 | N14-P37 HydrophobicContact CB-CB 4.28Å; N14-P37 WeakPolarHBondContact OD1-CA 3.5Å |
| 38 | L | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 145.8 | 169.7 | -55.7 | 179 | 0 | 0 | 0 | 109.5 | L10 H13 N14 T120 A121 V123 Y145 | L10-L38 HydrophobicContact CD1-CB 4.24Å; L10-L38 WeakPolarHBondContact CD1-O 3.35Å; H13-L38 HydrophobicContact CB-CD1 4.17Å; N14-L38 PolarHBondContact ND2-O 2.89Å; N14-L38 VanDerWaalsContact ND2-O 3.17Å; N14-L38 PolarHBondContact OD1-N 3.43Å; L38-T120 HydrophobicContact CD2-CG2 3.92Å; L38-T120 WeakPolarHBondContact CD2-O 3.2Å; L38-A121 WeakPolarHBondContact CA-O 3.26Å; L38-V123 HydrophobicContact CB-CB 4.48Å; L38-V123 HydrophobicContact CB-CG1 3.81Å; L38-V123 HydrophobicContact CD1-CB 4Å; L38-V123 HydrophobicContact CD1-CG1 3.92Å; L38-Y145 HydrophobicContact CD1-CD1 4.49Å; L38-Y145 HydrophobicContact CD1-CE1 4.49Å |
| 39 | E | 98.8 | Very high | 98 | Very high | 119 Ų | 119 | 51.2 Ų | 51.2 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 145 | 169.7 | -67.6 | 179.2 | -163.6 | 0 | 0 | 109.9 | A121 Y122 V123 | E39-A121 PolarHBondContact N-O 2.94Å; E39-Y122 HydrophobicContact CB-CD1 3.83Å; E39-Y122 HydrophobicContact CB-CE1 3.89Å; E39-Y122 WeakPolarHBondContact O-CA 3.15Å; E39-Y122 WeakPolarHBondContact OE2-CE1 3.13Å; E39-V123 PolarHBondContact O-N 2.76Å |
| 40 | W | 98.8 | Very high | 98 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 22% | 0.216 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.2 | 174.2 | -173.5 | -95.8 | 0 | 0 | 0 | 110.7 | M1 V6 I9 L10 D42 A45 V123 C125 | M1-W40 HydrophobicContact SD-CH2 4.05Å; V6-W40 HydrophobicContact CB-CH2 4.43Å; V6-W40 HydrophobicContact CB-CZ2 4.4Å; V6-W40 HydrophobicContact CG1-CD2 3.6Å; V6-W40 HydrophobicContact CG1-CE3 3.82Å; V6-W40 HydrophobicContact CG1-CG 4.05Å; V6-W40 HydrophobicContact CG1-CH2 4.14Å; V6-W40 HydrophobicContact CG1-CZ2 3.97Å; V6-W40 HydrophobicContact CG1-CZ3 4.09Å; V6-W40 HydrophobicContact CG2-CH2 3.94Å; V6-W40 HydrophobicContact CG2-CZ2 3.67Å; I9-W40 HydrophobicContact CG2-CH2 4.35Å; I9-W40 HydrophobicContact CG2-CZ3 3.8Å; L10-W40 HydrophobicContact CD2-CB 4.22Å; W40-D42 PolarHBondContact NE1-OD1 3.19Å; W40-A45 HydrophobicContact CH2-CB 4.24Å; W40-A45 HydrophobicContact CZ2-CB 3.4Å; W40-V123 CarbonylContact C-O 3.6Å; W40-V123 VanDerWaalsContact CA-O 3.29Å; W40-V123 WeakPolarHBondContact CA-O 3.46Å; W40-C125 HydrophobicContact CH2-CB 3.87Å; W40-C125 HydrophobicContact CZ3-CB 4.06Å |
| 41 | D | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -127.7 | 124.1 | 173.1 | -175.8 | -91.8 | 0 | 0 | 0 | 111.6 | E43 L44 A45 K68 W69 Y122 V123 | D41-E43 PolarHBondContact O-N 2.88Å; D41-E43 WeakPolarHBondContact OD1-CB 3.49Å; D41-E43 PolarHBondContact OD1-N 3.1Å; D41-E43 VanDerWaalsContact OD1-N 3.15Å; D41-L44 HydrophobicContact CB-CB 4.32Å; D41-L44 HydrophobicContact CB-CD1 4.05Å; D41-L44 HydrophobicContact CB-CG 4.12Å; D41-L44 PolarHBondContact O-N 3.23Å; D41-L44 WeakPolarHBondContact OD1-CG 3.37Å; D41-L44 PolarHBondContact OD1-N 2.96Å; D41-A45 WeakPolarHBondContact O-CB 3.26Å; D41-A45 PolarHBondContact O-N 3.24Å; D41-K68 VanDerWaalsContact OD2-CE 3.23Å; D41-K68 WeakPolarHBondContact OD2-CE 3.49Å; D41-K68 IonicContact OD2-NZ 3.9Å; D41-K68 PolarHBondContact OD2-NZ 2.92Å; D41-W69 HydrophobicContact CB-CZ2 4.39Å; D41-W69 PolarHBondContact OD1-NE1 3.31Å; D41-W69 WeakPolarHBondContact OD2-CZ2 3.34Å; D41-W69 PolarHBondContact OD2-NE1 2.9Å; D41-Y122 HydrophobicContact CB-CD1 4.39Å; D41-V123 PolarHBondContact N-O 2.87Å | ||
| 42 | D | 98.2 | Very high | 97.9 | Very high | 118 Ų | 118 | 52.4 Ų | 52.4 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -72.3 | -27 | -173.6 | -69.8 | -38.1 | 0 | 0 | 0 | 113.5 | W40 A45 A46 | W40-D42 PolarHBondContact NE1-OD1 3.19Å; D42-A45 PolarHBondContact O-N 2.77Å; D42-A46 VanDerWaalsContact O-CB 3.3Å; D42-A46 WeakPolarHBondContact O-CB 3.3Å; D42-A46 PolarHBondContact O-N 2.9Å |
| 43 | E | 98.1 | Very high | 97.9 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 175.7 | -60.8 | -172.5 | 144.9 | 0 | 0 | 110.3 | D41 A45 A46 A47 V66 G67 K68 | D41-E43 PolarHBondContact O-N 2.88Å; D41-E43 WeakPolarHBondContact OD1-CB 3.49Å; D41-E43 PolarHBondContact OD1-N 3.1Å; D41-E43 VanDerWaalsContact OD1-N 3.15Å; E43-A45 VanDerWaalsContact C-N 3.34Å; E43-A46 PolarHBondContact O-N 3.18Å; E43-A47 PolarHBondContact O-N 3.41Å; E43-V66 HydrophobicContact CB-CG1 4.41Å; E43-V66 WeakPolarHBondContact O-CG1 3.49Å; E43-G67 WeakPolarHBondContact OE2-CA 3.18Å; E43-K68 WeakPolarHBondContact OE2-CG 3.26Å; E43-K68 PolarHBondContact OE2-N 3.46Å |
| 44 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172 | -63.6 | -177.9 | 0 | 0 | 0 | 111.3 | D41 A47 A48 V66 W69 V72 | D41-L44 HydrophobicContact CB-CB 4.32Å; D41-L44 HydrophobicContact CB-CD1 4.05Å; D41-L44 HydrophobicContact CB-CG 4.12Å; D41-L44 PolarHBondContact O-N 3.23Å; D41-L44 WeakPolarHBondContact OD1-CG 3.37Å; D41-L44 PolarHBondContact OD1-N 2.96Å; L44-A47 PolarHBondContact O-N 3.25Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 2.91Å; L44-V66 HydrophobicContact CD2-CB 4.01Å; L44-V66 HydrophobicContact CD2-CG1 4.07Å; L44-W69 HydrophobicContact CD2-CB 4.46Å; L44-W69 VanDerWaalsContact CD2-CD1 3.47Å; L44-W69 HydrophobicContact CD2-CG 4.1Å; L44-V72 HydrophobicContact CD2-CG1 3.77Å; L44-V72 HydrophobicContact CD2-CG2 3.88Å |
| 45 | A | 98.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W40 D41 D42 E43 A47 A48 Q49 | W40-A45 HydrophobicContact CH2-CB 4.24Å; W40-A45 HydrophobicContact CZ2-CB 3.4Å; D41-A45 WeakPolarHBondContact O-CB 3.26Å; D41-A45 PolarHBondContact O-N 3.24Å; D42-A45 PolarHBondContact O-N 2.77Å; E43-A45 VanDerWaalsContact C-N 3.34Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.99Å; A45-A48 PolarHBondContact O-N 3.5Å; A45-Q49 VanDerWaalsContact O-CB 3.27Å; A45-Q49 WeakPolarHBondContact O-CB 3.44Å; A45-Q49 PolarHBondContact O-N 2.94Å |
| 46 | A | 98.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D42 E43 Q49 S50 | D42-A46 VanDerWaalsContact O-CB 3.3Å; D42-A46 WeakPolarHBondContact O-CB 3.3Å; D42-A46 PolarHBondContact O-N 2.9Å; E43-A46 PolarHBondContact O-N 3.18Å; A46-Q49 PolarHBondContact O-N 3.29Å; A46-S50 WeakPolarHBondContact O-CB 3.5Å; A46-S50 PolarHBondContact O-N 2.81Å |
| 47 | A | 97.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E43 L44 A45 Q49 S50 W51 V66 Y144 | E43-A47 PolarHBondContact O-N 3.41Å; L44-A47 PolarHBondContact O-N 3.25Å; A45-A47 VanDerWaalsContact C-N 3.34Å; A45-A47 PolarHBondContact O-N 2.99Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 3.06Å; A47-S50 WeakPolarHBondContact O-CB 3.01Å; A47-S50 PolarHBondContact O-N 2.04Å; A47-W51 WeakPolarHBondContact O-CB 3.48Å; A47-W51 PolarHBondContact O-N 3Å; A47-V66 HydrophobicContact CB-CB 4.37Å; A47-V66 HydrophobicContact CB-CG1 3.48Å; A47-V66 VanDerWaalsContact CB-CG1 3.48Å; A47-V66 HydrophobicContact CB-CG2 3.9Å; A47-Y144 HydrophobicContact CB-CD1 4.08Å; A47-Y144 HydrophobicContact CB-CE1 4.11Å |
| 48 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L44 A45 W51 S52 A142 Y144 | L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 2.91Å; A45-A48 PolarHBondContact O-N 3.5Å; A48-W51 PolarHBondContact O-N 3.46Å; A48-S52 WeakPolarHBondContact O-CB 3.09Å; A48-S52 PolarHBondContact O-N 2.04Å; A48-A142 HydrophobicContact CB-CB 4.4Å; A48-Y144 HydrophobicContact CB-CD2 3.59Å; A48-Y144 HydrophobicContact CB-CE2 4.14Å; A48-Y144 HydrophobicContact CB-CG 4.1Å |
| 49 | Q | 98.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.2 | -178.1 | 61.4 | 75.6 | 0 | 0 | 111.8 | A45 A46 A47 W51 S52 K53 F127 T128 | A45-Q49 VanDerWaalsContact O-CB 3.27Å; A45-Q49 WeakPolarHBondContact O-CB 3.44Å; A45-Q49 PolarHBondContact O-N 2.94Å; A46-Q49 PolarHBondContact O-N 3.29Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 3.06Å; Q49-W51 VanDerWaalsContact C-N 3.35Å; Q49-S52 PolarHBondContact NE2-OG 3.06Å; Q49-S52 PolarHBondContact O-N 3.11Å; Q49-S52 PolarHBondContact O-OG 2.9Å; Q49-K53 WeakPolarHBondContact O-CG 3.41Å; Q49-K53 PolarHBondContact O-N 3.43Å; Q49-F127 PolarHBondContact NE2-O 3.17Å; Q49-F127 PolarHBondContact OE1-O 3.21Å; Q49-T128 PolarHBondContact NE2-OG1 3.33Å |
| 50 | S | 96.8 | Very high | 95.3 | Very high | 72 Ų | 72 | 58 Ų | 58 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 111.5 | A46 A47 K53 | A46-S50 WeakPolarHBondContact O-CB 3.5Å; A46-S50 PolarHBondContact O-N 2.81Å; A47-S50 WeakPolarHBondContact O-CB 3.01Å; A47-S50 PolarHBondContact O-N 2.04Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 2.89Å |
| 51 | W | 96.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 178 | -175 | 87.7 | 0 | 0 | 0 | 111.9 | A47 A48 Q49 K53 K54 E59 R74 S76 L140 A142 Y144 | A47-W51 WeakPolarHBondContact O-CB 3.48Å; A47-W51 PolarHBondContact O-N 3Å; A48-W51 PolarHBondContact O-N 3.46Å; Q49-W51 VanDerWaalsContact C-N 3.35Å; W51-K53 PolarHBondContact O-N 3.15Å; W51-K53 VanDerWaalsContact O-N 3.15Å; W51-K54 VanDerWaalsContact O-CB 3.31Å; W51-K54 WeakPolarHBondContact O-CB 3.28Å; W51-K54 WeakPolarHBondContact O-CG 3.37Å; W51-K54 PolarHBondContact O-N 2.92Å; W51-K54 VanDerWaalsContact O-N 3.1Å; W51-E59 HydrophobicContact CZ2-CB 3.88Å; W51-R74 VanDerWaalsContact CE2-CZ 3.45Å; W51-R74 VanDerWaalsContact CE2-NH1 3.32Å; W51-R74 VanDerWaalsContact CZ2-CZ 3.42Å; W51-S76 VanDerWaalsContact CH2-CB 3.45Å; W51-S76 WeakPolarHBondContact CH2-OG 3.21Å; W51-S76 VanDerWaalsContact CZ3-CB 3.48Å; W51-L140 HydrophobicContact CE3-CD2 4.37Å; W51-L140 HydrophobicContact CH2-CD1 4.11Å; W51-L140 HydrophobicContact CH2-CD2 4.26Å; W51-L140 HydrophobicContact CZ3-CD1 3.75Å; W51-L140 HydrophobicContact CZ3-CD2 3.82Å; W51-L140 HydrophobicContact CZ3-CG 3.87Å; W51-A142 HydrophobicContact CE3-CB 3.56Å; W51-A142 HydrophobicContact CZ3-CB 3.76Å; W51-Y144 HydrophobicContact CB-CE2 4.32Å; W51-Y144 WeakPolarHBondContact CB-OH 3.39Å; W51-Y144 HydrophobicContact CG-CE2 4.48Å |
| 52 | S | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.7 | -28.2 | 179.8 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | A48 Q49 K54 C55 F127 T128 L140 | A48-S52 WeakPolarHBondContact O-CB 3.09Å; A48-S52 PolarHBondContact O-N 2.04Å; Q49-S52 PolarHBondContact NE2-OG 3.06Å; Q49-S52 PolarHBondContact O-N 3.11Å; Q49-S52 PolarHBondContact O-OG 2.9Å; S52-K54 PolarHBondContact O-N 2.94Å; S52-C55 PolarHBondContact O-N 2.97Å; S52-F127 VanDerWaalsContact OG-C 3.25Å; S52-T128 WeakPolarHBondContact O-CB 3.47Å; S52-T128 PolarHBondContact O-OG1 2.93Å; S52-T128 PolarHBondContact OG-N 2.8Å; S52-T128 PolarHBondContact OG-OG1 3.31Å; S52-L140 WeakPolarHBondContact CB-O 3.39Å |
| 53 | K | 96.9 | Very high | 92.5 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.5 | 179.2 | -74.3 | 169.8 | -178.8 | 174.2 | 0 | 113.3 | Q49 S50 W51 C55 T128 | Q49-K53 WeakPolarHBondContact O-CG 3.41Å; Q49-K53 PolarHBondContact O-N 3.43Å; S50-K53 WeakPolarHBondContact O-CB 3.33Å; S50-K53 PolarHBondContact O-N 2.89Å; W51-K53 PolarHBondContact O-N 3.15Å; W51-K53 VanDerWaalsContact O-N 3.15Å; K53-C55 PolarHBondContact O-N 3.44Å; K53-T128 WeakPolarHBondContact CA-OG1 3.35Å; K53-T128 WeakPolarHBondContact CG-OG1 3.42Å; K53-T128 PolarHBondContact N-OG1 3.48Å |
| 54 | K | 95.4 | Very high | 91.8 | Very high | 78 Ų | 78 | 60 Ų | 60 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.9 | 175.2 | -62.4 | 179 | 168.2 | -168.5 | 0 | 112.3 | W51 S52 N56 E59 E61 | W51-K54 VanDerWaalsContact O-CB 3.31Å; W51-K54 WeakPolarHBondContact O-CB 3.28Å; W51-K54 WeakPolarHBondContact O-CG 3.37Å; W51-K54 PolarHBondContact O-N 2.92Å; W51-K54 VanDerWaalsContact O-N 3.1Å; S52-K54 PolarHBondContact O-N 2.94Å; K54-N56 PolarHBondContact O-N 3.31Å; K54-E59 HydrophobicContact CD-CG 3.76Å; K54-E59 IonicContact NZ-OE1 3.57Å; K54-E59 PolarHBondContact NZ-OE1 3.14Å; K54-E61 IonicContact NZ-OE1 2.68Å; K54-E61 PolarHBondContact NZ-OE1 3.45Å; K54-E61 IonicContact NZ-OE2 2.77Å; K54-E61 PolarHBondContact NZ-OE2 2.87Å |
| 55 | C | 95.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 65.2 Ų | 65.2 | 14% | 0.142 | 35% | 0.351 | C | S | . | . | trans | 57.2 | 15 | -177 | -70.9 | 0 | 0 | 0 | 0 | 115.1 | S52 K53 C130 Q132 Y133 | S52-C55 PolarHBondContact O-N 2.97Å; K53-C55 PolarHBondContact O-N 3.44Å; C55-C130 WeakPolarHBondContact CA-SG 3.36Å; C55-C130 HydrophobicContact CB-CB 3.64Å; C55-C130 WeakPolarHBondContact CB-SG 3.32Å; C55-C130 VanDerWaalsContact SG-CA 3.53Å; C55-C130 WeakPolarHBondContact SG-CB 3.23Å; C55-C130 CovalentContact SG-SG 2.03Å; C55-C130 PolarHBondContact SG-SG 3.43Å; C55-Q132 PolarHBondContact O-NE2 2.83Å; C55-Y133 WeakPolarHBondContact O-CE2 3.16Å; C55-Y133 PolarHBondContact O-OH 2.8Å | ||
| 56 | N | 94.4 | Very high | 91.5 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | trans | -111.6 | 104.1 | 178.4 | -179.9 | 18.5 | 0 | 0 | 0 | 110.2 | K54 Y58 E59 | K54-N56 PolarHBondContact O-N 3.31Å; N56-Y58 PolarHBondContact O-N 3.3Å; N56-Y58 PolarHBondContact OD1-N 2.92Å; N56-Y58 VanDerWaalsContact OD1-N 3.14Å; N56-E59 HydrophobicContact CB-CB 4.27Å; N56-E59 PolarHBondContact ND2-OE2 3.26Å; N56-E59 VanDerWaalsContact O-CB 3.24Å; N56-E59 WeakPolarHBondContact O-CB 3.35Å; N56-E59 PolarHBondContact O-N 3.2Å | ||
| 57 | P | 89.2 | Confident | 91.3 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.2 | 177.9 | 27.6 | -34.6 | 0 | 0 | 0 | 112.4 | E59 I78 Y133 L140 | P57-E59 PolarHBondContact O-N 3.47Å; P57-I78 HydrophobicContact CB-CD1 4.48Å; P57-I78 HydrophobicContact CG-CD1 4.37Å; P57-I78 HydrophobicContact CG-CG1 4.3Å; P57-Y133 WeakPolarHBondContact CD-OH 3.41Å; P57-L140 HydrophobicContact CB-CD1 3.97Å |
| 58 | Y | 87.9 | Confident | 91.2 | Very high | 191 Ų | 191 | 70.1 Ų | 70.1 | 75% | 0.749 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 14.8 | 176.8 | -50.9 | -72.4 | 0 | 0 | 0 | 112.6 | N56 E60 | N56-Y58 PolarHBondContact O-N 3.3Å; N56-Y58 PolarHBondContact OD1-N 2.92Å; N56-Y58 VanDerWaalsContact OD1-N 3.14Å; Y58-E60 PolarHBondContact O-N 3.46Å |
| 59 | E | 86.8 | Confident | 91.2 | Very high | 46 Ų | 46 | 72 Ų | 72 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | trans | -69.3 | 101.6 | 176.8 | -177.9 | 73.2 | -178.1 | 0 | 0 | 110.3 | W51 K54 N56 P57 E61 R74 | W51-E59 HydrophobicContact CZ2-CB 3.88Å; K54-E59 HydrophobicContact CD-CG 3.76Å; K54-E59 IonicContact NZ-OE1 3.57Å; K54-E59 PolarHBondContact NZ-OE1 3.14Å; N56-E59 HydrophobicContact CB-CB 4.27Å; N56-E59 PolarHBondContact ND2-OE2 3.26Å; N56-E59 VanDerWaalsContact O-CB 3.24Å; N56-E59 WeakPolarHBondContact O-CB 3.35Å; N56-E59 PolarHBondContact O-N 3.2Å; P57-E59 PolarHBondContact O-N 3.47Å; E59-E61 VanDerWaalsContact C-N 3.25Å; E59-E61 HydrophobicContact CG-CB 4.34Å; E59-E61 PolarHBondContact O-N 3.43Å; E59-R74 PolarHBondContact O-NH1 3Å; E59-R74 PolarHBondContact O-NH2 3.11Å | ||
| 60 | E | 81.4 | Confident | 91.1 | Very high | 171 Ų | 171 | 75.6 Ų | 75.6 | 80% | 0.799 | 40% | 0.4 | S | S | * | . | trans | -82.2 | 10.9 | -174.9 | -67.1 | -176.7 | -177.5 | 0 | 0 | 114.7 | Y58 P62 | Y58-E60 PolarHBondContact O-N 3.46Å; E60-P62 VanDerWaalsContact O-CD 3.29Å; E60-P62 WeakPolarHBondContact O-CD 3.2Å | ||
| 61 | E | 81.6 | Confident | 91 | Very high | 108 Ų | 108 | 74.2 Ų | 74.2 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | trans | -44.7 | 117.6 | 177.7 | -101 | -176.5 | -170.3 | 0 | 0 | 110.5 | K54 E59 I63 | K54-E61 IonicContact NZ-OE1 2.68Å; K54-E61 PolarHBondContact NZ-OE1 3.45Å; K54-E61 IonicContact NZ-OE2 2.77Å; K54-E61 PolarHBondContact NZ-OE2 2.87Å; E59-E61 VanDerWaalsContact C-N 3.25Å; E59-E61 HydrophobicContact CG-CB 4.34Å; E59-E61 PolarHBondContact O-N 3.43Å; E61-I63 PolarHBondContact O-N 2.86Å | ||
| 62 | P | 75.3 | Confident | 91.1 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 85% | 0.851 | 39% | 0.39 | S | S | * | . | trans | -58.5 | 128.7 | -175.7 | -26.5 | 33.8 | 0 | 0 | 0 | 110.4 | E60 | E60-P62 VanDerWaalsContact O-CD 3.29Å; E60-P62 WeakPolarHBondContact O-CD 3.2Å | ||
| 63 | I | 81 | Confident | 91.1 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | trans | -95.5 | 108.6 | 174.3 | -47.3 | 179.7 | 0 | 0 | 0 | 107.5 | E61 V72 R74 Y144 | E61-I63 PolarHBondContact O-N 2.86Å; I63-V72 HydrophobicContact CG2-CB 3.66Å; I63-V72 HydrophobicContact CG2-CG1 3.73Å; I63-V72 WeakPolarHBondContact CG2-O 3.5Å; I63-R74 HydrophobicContact CD1-CB 3.08Å; I63-R74 HydrophobicContact CD1-CG 3.99Å; I63-Y144 HydrophobicContact CD1-CE1 3.95Å; I63-Y144 HydrophobicContact CD1-CE2 4.3Å; I63-Y144 HydrophobicContact CG1-CE1 4.44Å; I63-Y144 HydrophobicContact CG2-CD1 4.34Å; I63-Y144 HydrophobicContact CG2-CE1 3.99Å | ||
| 64 | G | 82.5 | Confident | 91 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | trans | -112 | -66.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N70 S71 V72 | G64-N70 CarbonylContact O-C 3.57Å; G64-N70 VanDerWaalsContact O-C 3.31Å; G64-S71 WeakPolarHBondContact O-CA 3.46Å; G64-S71 PolarHBondContact O-N 3.35Å; G64-V72 PolarHBondContact O-N 3.36Å; G64-V72 VanDerWaalsContact O-N 3.1Å | ||
| 65 | N | 94.4 | Very high | 91.1 | Very high | 110 Ų | 110 | 67.3 Ų | 67.3 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | trans | -122.7 | 143.3 | -170.7 | -54.7 | -16.8 | 0 | 0 | 0 | 111.3 | W69 N70 | N65-W69 CarbonylContact C-O 3.31Å; N65-W69 WeakPolarHBondContact CA-O 3.29Å; N65-W69 WeakPolarHBondContact CB-O 3.35Å; N65-N70 VanDerWaalsContact OD1-CA 3.26Å; N65-N70 WeakPolarHBondContact OD1-CA 3.06Å; N65-N70 PolarHBondContact OD1-O 2.98Å | ||
| 66 | V | 95.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.109 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -139.4 | 115.8 | 169.4 | 174 | 0 | 0 | 0 | 0 | 108.1 | E43 L44 A47 K68 W69 V72 Y144 | E43-V66 HydrophobicContact CB-CG1 4.41Å; E43-V66 WeakPolarHBondContact O-CG1 3.49Å; L44-V66 HydrophobicContact CD2-CB 4.01Å; L44-V66 HydrophobicContact CD2-CG1 4.07Å; A47-V66 HydrophobicContact CB-CB 4.37Å; A47-V66 HydrophobicContact CB-CG1 3.48Å; A47-V66 VanDerWaalsContact CB-CG1 3.48Å; A47-V66 HydrophobicContact CB-CG2 3.9Å; V66-K68 PolarHBondContact O-N 2.91Å; V66-W69 PolarHBondContact N-O 3.09Å; V66-W69 WeakPolarHBondContact O-CB 3.22Å; V66-W69 PolarHBondContact O-N 3.26Å; V66-V72 HydrophobicContact CB-CG2 4.1Å; V66-V72 HydrophobicContact CG2-CB 4.33Å; V66-V72 HydrophobicContact CG2-CG1 4.12Å; V66-V72 HydrophobicContact CG2-CG2 4.21Å; V66-Y144 HydrophobicContact CG2-CD1 3.94Å; V66-Y144 HydrophobicContact CG2-CE1 4.11Å |
| 67 | G | 94.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 66.3 Ų | 66.3 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -122.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E43 W69 | E43-G67 WeakPolarHBondContact OE2-CA 3.18Å; G67-W69 VanDerWaalsContact C-N 3.29Å; G67-W69 PolarHBondContact O-N 3.06Å |
| 68 | K | 95.9 | Very high | 91.5 | Very high | 123 Ų | 123 | 66.9 Ų | 66.9 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.2 | 177.5 | 73.3 | -162.1 | 172.5 | -169.8 | 0 | 114.8 | D41 E43 V66 | D41-K68 VanDerWaalsContact OD2-CE 3.23Å; D41-K68 WeakPolarHBondContact OD2-CE 3.49Å; D41-K68 IonicContact OD2-NZ 3.9Å; D41-K68 PolarHBondContact OD2-NZ 2.92Å; E43-K68 WeakPolarHBondContact OE2-CG 3.26Å; E43-K68 PolarHBondContact OE2-N 3.46Å; V66-K68 PolarHBondContact O-N 2.91Å |
| 69 | W | 97.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 15% | 0.148 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 127.9 | -174.3 | -53.2 | 110.8 | 0 | 0 | 0 | 111.8 | D41 L44 N65 V66 G67 V72 Y122 | D41-W69 HydrophobicContact CB-CZ2 4.39Å; D41-W69 PolarHBondContact OD1-NE1 3.31Å; D41-W69 WeakPolarHBondContact OD2-CZ2 3.34Å; D41-W69 PolarHBondContact OD2-NE1 2.9Å; L44-W69 HydrophobicContact CD2-CB 4.46Å; L44-W69 VanDerWaalsContact CD2-CD1 3.47Å; L44-W69 HydrophobicContact CD2-CG 4.1Å; N65-W69 CarbonylContact C-O 3.31Å; N65-W69 WeakPolarHBondContact CA-O 3.29Å; N65-W69 WeakPolarHBondContact CB-O 3.35Å; V66-W69 PolarHBondContact N-O 3.09Å; V66-W69 WeakPolarHBondContact O-CB 3.22Å; V66-W69 PolarHBondContact O-N 3.26Å; G67-W69 VanDerWaalsContact C-N 3.29Å; G67-W69 PolarHBondContact O-N 3.06Å; W69-V72 HydrophobicContact CB-CG2 3.54Å; W69-V72 HydrophobicContact CG-CG2 4.49Å; W69-Y122 HydrophobicContact CH2-CD1 4Å; W69-Y122 AromaticContact CH2-CD2 3.1Å; W69-Y122 HydrophobicContact CH2-CD2 3.1Å; W69-Y122 HydrophobicContact CH2-CE1 4.06Å; W69-Y122 AromaticContact CH2-CE2 3.17Å; W69-Y122 HydrophobicContact CH2-CE2 3.17Å; W69-Y122 AromaticContact CH2-CG 3.54Å; W69-Y122 HydrophobicContact CH2-CG 3.54Å; W69-Y122 AromaticContact CH2-CZ 3.67Å; W69-Y122 AromaticContact CZ2-CD1 3.88Å; W69-Y122 HydrophobicContact CZ2-CD1 3.88Å; W69-Y122 AromaticContact CZ2-CD2 3.6Å; W69-Y122 HydrophobicContact CZ2-CD2 3.6Å; W69-Y122 HydrophobicContact CZ2-CE1 4.28Å; W69-Y122 HydrophobicContact CZ2-CE2 4.03Å; W69-Y122 AromaticContact CZ2-CG 3.52Å; W69-Y122 HydrophobicContact CZ2-CG 3.52Å; W69-Y122 AromaticContact CZ3-CD2 3.63Å; W69-Y122 HydrophobicContact CZ3-CD2 3.63Å; W69-Y122 AromaticContact CZ3-CE2 3.74Å; W69-Y122 HydrophobicContact CZ3-CE2 3.74Å; W69-Y122 HydrophobicContact CZ3-CG 4.4Å |
| 70 | N | 95.7 | Very high | 92.2 | Very high | 123 Ų | 123 | 59.5 Ų | 59.5 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -102.9 | 5.2 | -176.7 | -62.9 | -38 | 0 | 0 | 0 | 114.6 | G64 N65 | G64-N70 CarbonylContact O-C 3.57Å; G64-N70 VanDerWaalsContact O-C 3.31Å; N65-N70 VanDerWaalsContact OD1-CA 3.26Å; N65-N70 WeakPolarHBondContact OD1-CA 3.06Å; N65-N70 PolarHBondContact OD1-O 2.98Å |
| 71 | S | 96.3 | Very high | 92.9 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -152.9 | 86.6 | -176.9 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | G64 P147 K148 | G64-S71 WeakPolarHBondContact O-CA 3.46Å; G64-S71 PolarHBondContact O-N 3.35Å; S71-P147 CarbonylContact O-C 3.57Å; S71-P147 VanDerWaalsContact O-CA 3.27Å; S71-P147 WeakPolarHBondContact O-CA 3.31Å; S71-K148 PolarHBondContact O-N 2.95Å; S71-K148 WeakPolarHBondContact OG-CG 3.49Å |
| 72 | V | 98 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | trans | -114.6 | 132.4 | -172 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | L44 I63 G64 V66 W69 Y144 Y145 | L44-V72 HydrophobicContact CD2-CG1 3.77Å; L44-V72 HydrophobicContact CD2-CG2 3.88Å; I63-V72 HydrophobicContact CG2-CB 3.66Å; I63-V72 HydrophobicContact CG2-CG1 3.73Å; I63-V72 WeakPolarHBondContact CG2-O 3.5Å; G64-V72 PolarHBondContact O-N 3.36Å; G64-V72 VanDerWaalsContact O-N 3.1Å; V66-V72 HydrophobicContact CB-CG2 4.1Å; V66-V72 HydrophobicContact CG2-CB 4.33Å; V66-V72 HydrophobicContact CG2-CG1 4.12Å; V66-V72 HydrophobicContact CG2-CG2 4.21Å; W69-V72 HydrophobicContact CB-CG2 3.54Å; W69-V72 HydrophobicContact CG-CG2 4.49Å; V72-Y144 HydrophobicContact CG1-CD1 3.62Å; V72-Y144 HydrophobicContact CG1-CE1 4.49Å; V72-Y144 HydrophobicContact CG1-CG 4.15Å; V72-Y145 CarbonylContact C-O 3.49Å; V72-Y145 VanDerWaalsContact CA-O 3.27Å; V72-Y145 WeakPolarHBondContact CA-O 3.42Å | ||
| 73 | G | 96.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 163.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y144 Y145 K148 | G73-Y144 CarbonylContact O-C 3.58Å; G73-Y144 VanDerWaalsContact O-CA 3.26Å; G73-Y144 WeakPolarHBondContact O-CA 3.44Å; G73-Y145 PolarHBondContact N-O 3.15Å; G73-Y145 PolarHBondContact O-N 3.02Å; G73-K148 VanDerWaalsContact N-CB 3.28Å |
| 74 | R | 96.1 | Very high | 95.6 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135 | 176 | 173 | -178.6 | 76.6 | -147.2 | 6.4 | 111.1 | W51 E59 I63 C143 Y144 | W51-R74 VanDerWaalsContact CE2-CZ 3.45Å; W51-R74 VanDerWaalsContact CE2-NH1 3.32Å; W51-R74 VanDerWaalsContact CZ2-CZ 3.42Å; E59-R74 PolarHBondContact O-NH1 3Å; E59-R74 PolarHBondContact O-NH2 3.11Å; I63-R74 HydrophobicContact CD1-CB 3.08Å; I63-R74 HydrophobicContact CD1-CG 3.99Å; R74-C143 VanDerWaalsContact CA-O 3.29Å; R74-C143 WeakPolarHBondContact CA-O 3.38Å; R74-Y144 HydrophobicContact CB-CD2 4.05Å; R74-Y144 HydrophobicContact CB-CE2 3.86Å; R74-Y144 HydrophobicContact CG-CD2 3.95Å; R74-Y144 HydrophobicContact CG-CE2 3.55Å |
| 75 | N | 96.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 142 | 156.7 | -65.5 | -14.8 | 0 | 0 | 0 | 108.4 | W89 S111 A142 C143 Y145 | N75-W89 HydrophobicContact CB-CD2 3.66Å; N75-W89 VanDerWaalsContact CB-CE2 3.47Å; N75-W89 HydrophobicContact CB-CE3 3.9Å; N75-W89 HydrophobicContact CB-CG 4.28Å; N75-W89 HydrophobicContact CB-CH2 3.82Å; N75-W89 HydrophobicContact CB-CZ2 3.58Å; N75-W89 HydrophobicContact CB-CZ3 3.98Å; N75-S111 VanDerWaalsContact CG-CB 3.5Å; N75-S111 PolarHBondContact ND2-O 3.05Å; N75-S111 VanDerWaalsContact OD1-CA 3.23Å; N75-S111 WeakPolarHBondContact OD1-CA 3.29Å; N75-S111 WeakPolarHBondContact OD1-CB 3.43Å; N75-S111 PolarHBondContact OD1-OG 3.41Å; N75-A142 CarbonylContact O-C 3.55Å; N75-A142 VanDerWaalsContact O-CA 3.27Å; N75-A142 WeakPolarHBondContact O-CA 3.37Å; N75-C143 PolarHBondContact N-O 3.07Å; N75-C143 PolarHBondContact O-N 3.28Å; N75-Y145 HydrophobicContact CB-CE2 3.81Å; N75-Y145 PolarHBondContact ND2-OH 3Å |
| 76 | S | 96.2 | Very high | 96.5 | Very high | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 146.9 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | W51 I141 | W51-S76 VanDerWaalsContact CH2-CB 3.45Å; W51-S76 WeakPolarHBondContact CH2-OG 3.21Å; W51-S76 VanDerWaalsContact CZ3-CB 3.48Å; S76-I141 CarbonylContact C-O 3.58Å; S76-I141 WeakPolarHBondContact CA-O 3.49Å |
| 77 | V | 95.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 150.9 | 177.7 | 65.1 | 0 | 0 | 0 | 0 | 110.5 | Q79 A85 Y88 W89 I141 | V77-Q79 HydrophobicContact CG1-CB 3.92Å; V77-Q79 HydrophobicContact CG2-CB 4.42Å; V77-A85 HydrophobicContact CG1-CB 3.56Å; V77-Y88 HydrophobicContact CB-CD1 4.22Å; V77-Y88 HydrophobicContact CB-CE1 4.44Å; V77-Y88 HydrophobicContact CG2-CD1 3.65Å; V77-Y88 HydrophobicContact CG2-CE1 3.74Å; V77-Y88 HydrophobicContact CG2-CG 4.22Å; V77-W89 HydrophobicContact CB-CZ2 4.33Å; V77-W89 HydrophobicContact CG1-CZ2 3.78Å; V77-I141 PolarHBondContact N-O 3.43Å; V77-I141 PolarHBondContact O-N 3.38Å |
| 78 | I | 96.5 | Very high | 96.8 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.2 | 163.8 | -57 | -57.4 | 0 | 0 | 0 | 108.2 | P57 Y133 S137 M139 L140 | P57-I78 HydrophobicContact CB-CD1 4.48Å; P57-I78 HydrophobicContact CG-CD1 4.37Å; P57-I78 HydrophobicContact CG-CG1 4.3Å; I78-Y133 HydrophobicContact CD1-CD1 4.42Å; I78-Y133 HydrophobicContact CD1-CD2 3.6Å; I78-Y133 HydrophobicContact CD1-CE1 4.19Å; I78-Y133 HydrophobicContact CD1-CE2 3.34Å; I78-Y133 HydrophobicContact CD1-CG 4.18Å; I78-Y133 HydrophobicContact CG1-CD1 4.25Å; I78-Y133 HydrophobicContact CG1-CD2 4.26Å; I78-Y133 HydrophobicContact CG1-CE1 4.09Å; I78-Y133 HydrophobicContact CG1-CE2 4.14Å; I78-Y133 HydrophobicContact CG1-CG 4.36Å; I78-Y133 HydrophobicContact CG2-CD1 4.25Å; I78-Y133 HydrophobicContact CG2-CD2 4.22Å; I78-Y133 HydrophobicContact CG2-CG 3.91Å; I78-S137 WeakPolarHBondContact CG2-O 3.5Å; I78-M139 WeakPolarHBondContact CA-O 3.46Å; I78-L140 HydrophobicContact CD1-CB 3.69Å; I78-L140 HydrophobicContact CD1-CD1 3.6Å; I78-L140 HydrophobicContact CD1-CG 4.18Å |
| 79 | Q | 95.7 | Very high | 96.8 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 164.6 | -173.7 | -177.7 | 57.9 | -74.3 | 0 | 0 | 110.5 | V77 E81 A85 M139 I141 | V77-Q79 HydrophobicContact CG1-CB 3.92Å; V77-Q79 HydrophobicContact CG2-CB 4.42Å; Q79-E81 WeakPolarHBondContact CG-O 3.27Å; Q79-A85 HydrophobicContact CB-CB 4.36Å; Q79-A85 HydrophobicContact CG-CB 4.23Å; Q79-M139 PolarHBondContact N-O 3.42Å; Q79-M139 WeakPolarHBondContact O-CA 3.43Å; Q79-M139 VanDerWaalsContact O-CB 3.25Å; Q79-M139 WeakPolarHBondContact O-CB 3.27Å; Q79-M139 PolarHBondContact O-N 3.17Å; Q79-M139 VanDerWaalsContact O-N 3.09Å; Q79-I141 HydrophobicContact CB-CD1 4.13Å |
| 80 | S | 94.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -93.8 | -25 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | P136 | S80-P136 VanDerWaalsContact CB-O 3.25Å; S80-P136 WeakPolarHBondContact CB-O 3.18Å |
| 81 | E | 96.2 | Very high | 96.9 | Very high | 124 Ų | 124 | 36.3 Ų | 36.3 | 58% | 0.579 | 20% | 0.198 | S | C | * | . | trans | -129.2 | 139.4 | -172.1 | -66 | 179 | -174.3 | 0 | 0 | 111.8 | Q79 G84 A85 | Q79-E81 WeakPolarHBondContact CG-O 3.27Å; E81-G84 PolarHBondContact O-N 3.46Å; E81-A85 PolarHBondContact O-N 3.3Å | ||
| 82 | L | 98 | Very high | 96.9 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 178 | -62.5 | 176.7 | 0 | 0 | 0 | 112 | M1 E5 L8 I9 G84 A85 V86 F127 M139 I141 | M1-L82 HydrophobicContact CE-CD1 3.69Å; M1-L82 HydrophobicContact CE-CD2 4.13Å; E5-L82 HydrophobicContact CB-CD1 3.53Å; E5-L82 HydrophobicContact CG-CD1 3.67Å; L8-L82 HydrophobicContact CD2-CB 4.48Å; I9-L82 HydrophobicContact CB-CB 4.46Å; I9-L82 HydrophobicContact CD1-CB 4.32Å; I9-L82 HydrophobicContact CD1-CD2 4.37Å; L82-G84 VanDerWaalsContact C-N 3.34Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 2.9Å; L82-V86 PolarHBondContact O-N 3.15Å; L82-F127 HydrophobicContact CD2-CD1 3.73Å; L82-F127 HydrophobicContact CD2-CE1 4.19Å; L82-F127 HydrophobicContact CD2-CG 4.34Å; L82-M139 HydrophobicContact CD2-CE 3.9Å; L82-M139 HydrophobicContact CG-CE 4.41Å; L82-I141 HydrophobicContact CD2-CD1 3.97Å; L82-I141 HydrophobicContact CD2-CG1 4.23Å; L82-I141 HydrophobicContact CD2-CG2 4.32Å |
| 83 | A | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L8 V12 A85 V86 A87 | L8-A83 HydrophobicContact CD1-CB 4.46Å; V12-A83 HydrophobicContact CG2-CB 4.01Å; A83-A85 PolarHBondContact O-N 2.81Å; A83-V86 PolarHBondContact O-N 2.75Å; A83-A87 PolarHBondContact O-N 3.1Å |
| 84 | G | 97.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 43 Ų | 43 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -30.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E81 L82 Y88 | E81-G84 PolarHBondContact O-N 3.46Å; L82-G84 VanDerWaalsContact C-N 3.34Å; G84-Y88 VanDerWaalsContact O-CB 3.3Å; G84-Y88 WeakPolarHBondContact O-CB 3.46Å; G84-Y88 PolarHBondContact O-N 3.11Å |
| 85 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V77 Q79 E81 L82 A83 Y88 W89 I141 | V77-A85 HydrophobicContact CG1-CB 3.56Å; Q79-A85 HydrophobicContact CB-CB 4.36Å; Q79-A85 HydrophobicContact CG-CB 4.23Å; E81-A85 PolarHBondContact O-N 3.3Å; L82-A85 WeakPolarHBondContact O-CB 3.4Å; L82-A85 PolarHBondContact O-N 2.9Å; A83-A85 PolarHBondContact O-N 2.81Å; A85-Y88 PolarHBondContact O-N 3.45Å; A85-W89 HydrophobicContact CB-CH2 4.37Å; A85-W89 VanDerWaalsContact O-CD2 3.25Å; A85-W89 PolarHBondContact O-N 2.86Å; A85-W89 VanDerWaalsContact O-N 3.15Å; A85-I141 HydrophobicContact CB-CB 4.26Å; A85-I141 HydrophobicContact CB-CD1 3.84Å; A85-I141 HydrophobicContact CB-CG2 3.99Å |
| 86 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 176.7 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | I9 V12 H13 L82 A83 Y88 W89 M90 I115 | I9-V86 HydrophobicContact CD1-CG2 4.36Å; I9-V86 HydrophobicContact CG1-CG2 3.76Å; V12-V86 HydrophobicContact CB-CB 4.45Å; V12-V86 HydrophobicContact CB-CG1 4.49Å; V12-V86 HydrophobicContact CG1-CB 3.76Å; V12-V86 HydrophobicContact CG1-CG1 3.78Å; V12-V86 HydrophobicContact CG1-CG2 4.38Å; H13-V86 WeakPolarHBondContact CE1-CG2 3.32Å; L82-V86 PolarHBondContact O-N 3.15Å; A83-V86 PolarHBondContact O-N 2.75Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; V86-Y88 PolarHBondContact O-N 3.12Å; V86-W89 HydrophobicContact CG2-CZ3 4.4Å; V86-W89 PolarHBondContact O-N 3.21Å; V86-M90 HydrophobicContact CG1-CG 4.42Å; V86-M90 WeakPolarHBondContact O-CB 3.33Å; V86-M90 VanDerWaalsContact O-CG 3.23Å; V86-M90 WeakPolarHBondContact O-CG 3.46Å; V86-M90 PolarHBondContact O-N 3.07Å; V86-I115 HydrophobicContact CG1-CD1 4.17Å |
| 87 | A | 97.9 | Very high | 96.7 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.9 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A83 W89 M90 E91 | A83-A87 PolarHBondContact O-N 3.1Å; A87-W89 PolarHBondContact O-N 3.24Å; A87-M90 CarbonylContact O-C 3.56Å; A87-M90 WeakPolarHBondContact O-CA 3.35Å; A87-M90 WeakPolarHBondContact O-CB 3.35Å; A87-M90 PolarHBondContact O-N 3.4Å; A87-E91 PolarHBondContact O-N 3.32Å |
| 88 | Y | 96.9 | Very high | 96.7 | Very high | 114 Ų | 114 | 46.3 Ų | 46.3 | 45% | 0.447 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 176.3 | 174.6 | -93.3 | 0 | 0 | 0 | 112.3 | V77 G84 A85 V86 M90 E91 | V77-Y88 HydrophobicContact CB-CD1 4.22Å; V77-Y88 HydrophobicContact CB-CE1 4.44Å; V77-Y88 HydrophobicContact CG2-CD1 3.65Å; V77-Y88 HydrophobicContact CG2-CE1 3.74Å; V77-Y88 HydrophobicContact CG2-CG 4.22Å; G84-Y88 VanDerWaalsContact O-CB 3.3Å; G84-Y88 WeakPolarHBondContact O-CB 3.46Å; G84-Y88 PolarHBondContact O-N 3.11Å; A85-Y88 PolarHBondContact O-N 3.45Å; V86-Y88 VanDerWaalsContact C-N 3.34Å; V86-Y88 PolarHBondContact O-N 3.12Å; Y88-M90 PolarHBondContact O-N 3.46Å; Y88-E91 WeakPolarHBondContact O-CB 3.39Å; Y88-E91 PolarHBondContact O-N 2.79Å; Y88-E91 VanDerWaalsContact O-N 3.15Å |
| 89 | W | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 176.1 | -63 | -38.2 | 0 | 0 | 0 | 112.6 | N75 V77 A85 V86 A87 E91 E92 Y112 I115 I141 C143 | N75-W89 HydrophobicContact CB-CD2 3.66Å; N75-W89 VanDerWaalsContact CB-CE2 3.47Å; N75-W89 HydrophobicContact CB-CE3 3.9Å; N75-W89 HydrophobicContact CB-CG 4.28Å; N75-W89 HydrophobicContact CB-CH2 3.82Å; N75-W89 HydrophobicContact CB-CZ2 3.58Å; N75-W89 HydrophobicContact CB-CZ3 3.98Å; V77-W89 HydrophobicContact CB-CZ2 4.33Å; V77-W89 HydrophobicContact CG1-CZ2 3.78Å; A85-W89 HydrophobicContact CB-CH2 4.37Å; A85-W89 VanDerWaalsContact O-CD2 3.25Å; A85-W89 PolarHBondContact O-N 2.86Å; A85-W89 VanDerWaalsContact O-N 3.15Å; V86-W89 HydrophobicContact CG2-CZ3 4.4Å; V86-W89 PolarHBondContact O-N 3.21Å; A87-W89 PolarHBondContact O-N 3.24Å; W89-E91 VanDerWaalsContact C-N 3.35Å; W89-E92 WeakPolarHBondContact O-CB 3.45Å; W89-E92 PolarHBondContact O-N 2.74Å; W89-Y112 WeakPolarHBondContact O-CB 3.34Å; W89-Y112 PolarHBondContact O-N 3.49Å; W89-I115 HydrophobicContact CB-CD1 3.7Å; W89-I115 HydrophobicContact CE3-CD1 4.08Å; W89-I141 HydrophobicContact CH2-CG2 4.43Å; W89-C143 HydrophobicContact CH2-CB 4.07Å; W89-C143 HydrophobicContact CZ3-CB 4.08Å |
| 90 | M | 98 | Very high | 96.6 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.4 | -19.8 | 178.3 | -70.3 | -62.3 | -52.5 | 0 | 0 | 113.5 | H16 V86 A87 Y88 E92 S93 Y112 I115 V116 | H16-M90 HydrophobicContact CB-CE 3.82Å; H16-M90 HydrophobicContact CB-CG 4.26Å; H16-M90 HydrophobicContact CB-SD 4.02Å; V86-M90 HydrophobicContact CG1-CG 4.42Å; V86-M90 WeakPolarHBondContact O-CB 3.33Å; V86-M90 VanDerWaalsContact O-CG 3.23Å; V86-M90 WeakPolarHBondContact O-CG 3.46Å; V86-M90 PolarHBondContact O-N 3.07Å; A87-M90 CarbonylContact O-C 3.56Å; A87-M90 WeakPolarHBondContact O-CA 3.35Å; A87-M90 WeakPolarHBondContact O-CB 3.35Å; A87-M90 PolarHBondContact O-N 3.4Å; Y88-M90 PolarHBondContact O-N 3.46Å; M90-E92 PolarHBondContact O-N 2.78Å; M90-S93 VanDerWaalsContact O-CB 3.26Å; M90-S93 WeakPolarHBondContact O-CB 3.34Å; M90-S93 PolarHBondContact O-N 3.49Å; M90-S93 PolarHBondContact O-OG 3.32Å; M90-Y112 HydrophobicContact CE-CD2 3.59Å; M90-Y112 HydrophobicContact CE-CE2 3.76Å; M90-Y112 HydrophobicContact SD-CD2 3.88Å; M90-I115 HydrophobicContact CG-CD1 4.02Å; M90-I115 HydrophobicContact SD-CB 3.94Å; M90-I115 HydrophobicContact SD-CD1 3.77Å; M90-I115 HydrophobicContact SD-CG1 4.48Å; M90-I115 HydrophobicContact SD-CG2 3.7Å; M90-V116 HydrophobicContact CE-CG1 3.96Å; M90-V116 HydrophobicContact SD-CG1 4.23Å |
| 91 | E | 96.4 | Very high | 96.6 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.4 | -25.8 | 172.2 | -69.8 | 176.3 | -178.9 | 0 | 0 | 112.1 | A87 Y88 W89 S93 N94 | A87-E91 PolarHBondContact O-N 3.32Å; Y88-E91 WeakPolarHBondContact O-CB 3.39Å; Y88-E91 PolarHBondContact O-N 2.79Å; Y88-E91 VanDerWaalsContact O-N 3.15Å; W89-E91 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 2.93Å; E91-N94 WeakPolarHBondContact O-CB 3.47Å; E91-N94 PolarHBondContact O-N 2.93Å; E91-N94 PolarHBondContact O-ND2 3.01Å; E91-N94 VanDerWaalsContact O-ND2 3.09Å |
| 92 | E | 96.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 15% | 0.15 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -59.4 | -19 | 173.4 | -66.6 | 176.1 | -178.7 | 0 | 0 | 112.7 | W89 M90 N94 I95 Y96 C109 N110 S111 Y112 | W89-E92 WeakPolarHBondContact O-CB 3.45Å; W89-E92 PolarHBondContact O-N 2.74Å; M90-E92 PolarHBondContact O-N 2.78Å; E92-N94 PolarHBondContact O-N 3.4Å; E92-I95 HydrophobicContact CB-CG1 4.45Å; E92-I95 WeakPolarHBondContact O-CG1 3.23Å; E92-I95 PolarHBondContact O-N 3.42Å; E92-I95 VanDerWaalsContact O-N 3.12Å; E92-Y96 PolarHBondContact O-N 3.01Å; E92-Y96 VanDerWaalsContact O-N 3.11Å; E92-C109 HydrophobicContact CB-CB 4.07Å; E92-C109 WeakPolarHBondContact OE2-CA 3.4Å; E92-N110 PolarHBondContact OE2-N 3.1Å; E92-S111 WeakPolarHBondContact OE2-CA 3.33Å; E92-S111 VanDerWaalsContact OE2-CB 3.32Å; E92-S111 WeakPolarHBondContact OE2-CB 3.41Å; E92-S111 PolarHBondContact OE2-N 3.43Å; E92-Y112 PolarHBondContact OE2-N 2.84Å |
| 93 | S | 96.5 | Very high | 96.3 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -61 | -26.1 | 172.7 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | R20 M90 E91 I95 | R20-S93 PolarHBondContact NH2-OG 2.83Å; M90-S93 VanDerWaalsContact O-CB 3.26Å; M90-S93 WeakPolarHBondContact O-CB 3.34Å; M90-S93 PolarHBondContact O-N 3.49Å; M90-S93 PolarHBondContact O-OG 3.32Å; E91-S93 PolarHBondContact O-N 2.93Å; S93-I95 VanDerWaalsContact C-N 3.28Å; S93-I95 PolarHBondContact O-N 3.41Å |
| 94 | N | 95 | Very high | 95.8 | Very high | 134 Ų | 134 | 53 Ų | 53 | 72% | 0.717 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -69.9 | -26.7 | 177.1 | -64.4 | -49.7 | 0 | 0 | 0 | 112.7 | E91 E92 | E91-N94 WeakPolarHBondContact O-CB 3.47Å; E91-N94 PolarHBondContact O-N 2.93Å; E91-N94 PolarHBondContact O-ND2 3.01Å; E91-N94 VanDerWaalsContact O-ND2 3.09Å; E92-N94 PolarHBondContact O-N 3.4Å |
| 95 | I | 94.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 22% | 0.221 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -12.7 | -179 | 60.6 | 165.3 | 0 | 0 | 0 | 112.7 | E92 S93 S104 S105 F107 C109 | E92-I95 HydrophobicContact CB-CG1 4.45Å; E92-I95 WeakPolarHBondContact O-CG1 3.23Å; E92-I95 PolarHBondContact O-N 3.42Å; E92-I95 VanDerWaalsContact O-N 3.12Å; S93-I95 VanDerWaalsContact C-N 3.28Å; S93-I95 PolarHBondContact O-N 3.41Å; I95-S104 WeakPolarHBondContact CA-OG 3.37Å; I95-S104 WeakPolarHBondContact CB-OG 3.44Å; I95-S104 WeakPolarHBondContact O-CB 3.44Å; I95-S104 PolarHBondContact O-N 3.47Å; I95-S104 PolarHBondContact O-OG 3.23Å; I95-S105 VanDerWaalsContact CD1-OG 3.28Å; I95-S105 WeakPolarHBondContact CD1-OG 3.11Å; I95-F107 HydrophobicContact CD1-CB 4.04Å; I95-C109 HydrophobicContact CD1-CB 4.41Å; I95-C109 HydrophobicContact CG1-CB 4.35Å |
| 96 | Y | 96.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 8% | 0.078 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.9 | 179.3 | 177.5 | -111.4 | 0 | 0 | 0 | 113 | E92 H98 D101 C109 Y112 K113 P153 P154 | E92-Y96 PolarHBondContact O-N 3.01Å; E92-Y96 VanDerWaalsContact O-N 3.11Å; Y96-H98 HydrophobicContact CD1-CB 4.4Å; Y96-H98 VanDerWaalsContact CE1-CA 3.44Å; Y96-H98 HydrophobicContact CE1-CB 3.81Å; Y96-H98 AromaticContact CE1-ND1 3.77Å; Y96-D101 WeakPolarHBondContact CE2-OD1 3.48Å; Y96-D101 PolarHBondContact OH-OD1 2.79Å; Y96-D101 VanDerWaalsContact OH-OD1 3.09Å; Y96-C109 HydrophobicContact CD2-CB 4.46Å; Y96-C109 WeakPolarHBondContact CD2-SG 3.41Å; Y96-Y112 HydrophobicContact CD1-CD1 4.03Å; Y96-Y112 AromaticContact CD1-CE1 3.37Å; Y96-Y112 HydrophobicContact CD1-CE1 3.37Å; Y96-Y112 AromaticContact CE1-CE1 3.94Å; Y96-Y112 HydrophobicContact CE1-CE1 3.94Å; Y96-Y112 HydrophobicContact CG-CD1 4.11Å; Y96-Y112 AromaticContact CG-CE1 3.92Å; Y96-Y112 HydrophobicContact CG-CE1 3.92Å; Y96-K113 HydrophobicContact CD2-CD 4.35Å; Y96-K113 HydrophobicContact CD2-CG 4.47Å; Y96-K113 HydrophobicContact CE2-CD 3.82Å; Y96-K113 HydrophobicContact CE2-CG 4.18Å; Y96-P153 VanDerWaalsContact OH-CA 3.31Å; Y96-P153 WeakPolarHBondContact OH-CA 3.12Å; Y96-P154 HydrophobicContact CE1-CG 4.33Å; Y96-P154 WeakPolarHBondContact OH-CD 3.28Å |
| 97 | K | 95.6 | Very high | 92.6 | Very high | 108 Ų | 108 | 68.3 Ų | 68.3 | 47% | 0.47 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 96.2 | 177.6 | -67.5 | 178.3 | 177.8 | 171 | 0 | 110.7 | N99 T100 D101 S102 | K97-N99 VanDerWaalsContact C-N 3.33Å; K97-N99 PolarHBondContact O-N 2.93Å; K97-T100 VanDerWaalsContact CB-OG1 3.27Å; K97-T100 WeakPolarHBondContact CB-OG1 3.38Å; K97-T100 PolarHBondContact O-N 2.97Å; K97-T100 VanDerWaalsContact O-N 3.11Å; K97-T100 PolarHBondContact O-OG1 3.02Å; K97-D101 PolarHBondContact O-N 2.8Å; K97-S102 PolarHBondContact N-O 2.8Å; K97-S102 PolarHBondContact O-N 3.3Å |
| 98 | H | 96 | Very high | 92.1 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.069 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39.9 | -173.3 | -165.3 | 100.7 | 0 | 0 | 0 | 114.9 | V29 Y96 T100 Y155 | V29-H98 HydrophobicContact CB-CB 4.24Å; V29-H98 HydrophobicContact CG1-CB 4.37Å; V29-H98 HydrophobicContact CG2-CB 3.77Å; Y96-H98 HydrophobicContact CD1-CB 4.4Å; Y96-H98 VanDerWaalsContact CE1-CA 3.44Å; Y96-H98 HydrophobicContact CE1-CB 3.81Å; Y96-H98 AromaticContact CE1-ND1 3.77Å; H98-T100 VanDerWaalsContact C-N 3.28Å; H98-T100 PolarHBondContact O-N 3.33Å; H98-Y155 AromaticContact CE1-CD2 3.45Å; H98-Y155 VanDerWaalsContact CE1-CD2 3.45Å; H98-Y155 WeakPolarHBondContact CE1-CD2 3.28Å; H98-Y155 AromaticContact CE1-CE2 3.38Å; H98-Y155 WeakPolarHBondContact CE1-CE2 3.42Å; H98-Y155 AromaticContact CE1-CZ 3.94Å; H98-Y155 PolarHBondContact CE1-O 3.03Å; H98-Y155 AromaticContact ND1-CE2 3.91Å; H98-Y155 PolarHBondContact NE2-O 2.81Å |
| 99 | N | 93.9 | Very high | 92.1 | Very high | 140 Ų | 140 | 67.4 Ų | 67.4 | 75% | 0.749 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.9 | -178.8 | 64.2 | -28 | 0 | 0 | 0 | 114.1 | K97 | K97-N99 VanDerWaalsContact C-N 3.33Å; K97-N99 PolarHBondContact O-N 2.93Å |
| 100 | T | 94.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 70.3 Ų | 70.3 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -4.2 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | K97 H98 S102 | K97-T100 VanDerWaalsContact CB-OG1 3.27Å; K97-T100 WeakPolarHBondContact CB-OG1 3.38Å; K97-T100 PolarHBondContact O-N 2.97Å; K97-T100 VanDerWaalsContact O-N 3.11Å; K97-T100 PolarHBondContact O-OG1 3.02Å; H98-T100 VanDerWaalsContact C-N 3.28Å; H98-T100 PolarHBondContact O-N 3.33Å; T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 PolarHBondContact O-N 2.71Å; T100-S102 PolarHBondContact OG1-OG 3.09Å |
| 101 | D | 95 | Very high | 91.9 | Very high | 53 Ų | 53 | 70.9 Ų | 70.9 | 28% | 0.283 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 49.1 | -169.1 | -171.3 | 36.4 | 0 | 0 | 0 | 112.7 | Y96 K97 K113 G152 P153 | Y96-D101 WeakPolarHBondContact CE2-OD1 3.48Å; Y96-D101 PolarHBondContact OH-OD1 2.79Å; Y96-D101 VanDerWaalsContact OH-OD1 3.09Å; K97-D101 PolarHBondContact O-N 2.8Å; D101-K113 IonicContact OD1-NZ 2.8Å; D101-K113 PolarHBondContact OD1-NZ 2.74Å; D101-K113 IonicContact OD2-NZ 2.69Å; D101-K113 PolarHBondContact OD2-NZ 3.17Å; D101-G152 WeakPolarHBondContact OD2-CA 3.49Å; D101-G152 PolarHBondContact OD2-N 3.43Å; D101-P153 HydrophobicContact CB-CG 4.3Å |
| 102 | S | 94.6 | Very high | 92 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.6 | -177.1 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | K97 T100 | K97-S102 PolarHBondContact N-O 2.8Å; K97-S102 PolarHBondContact O-N 3.3Å; T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 PolarHBondContact O-N 2.71Å; T100-S102 PolarHBondContact OG1-OG 3.09Å |
| 103 | C | 94.2 | Very high | 92 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 28% | 0.284 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133 | 168.5 | -37.5 | 0 | 0 | 0 | 0 | 108.2 | S105 F107 C109 | C103-S105 VanDerWaalsContact C-N 3.29Å; C103-S105 PolarHBondContact O-N 2.69Å; C103-F107 WeakPolarHBondContact CB-O 3.14Å; C103-C109 HydrophobicContact CB-CB 3.92Å; C103-C109 WeakPolarHBondContact CB-SG 3.27Å; C103-C109 WeakPolarHBondContact SG-CB 3.46Å; C103-C109 PolarHBondContact SG-N 2.77Å; C103-C109 CovalentContact SG-SG 2.04Å; C103-C109 PolarHBondContact SG-SG 3.06Å |
| 104 | S | 87.5 | Confident | 92.1 | Very high | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -76.1 | -13 | -174 | 55 | 0 | 0 | 0 | 0 | 114.9 | I95 | I95-S104 WeakPolarHBondContact CA-OG 3.37Å; I95-S104 WeakPolarHBondContact CB-OG 3.44Å; I95-S104 WeakPolarHBondContact O-CB 3.44Å; I95-S104 PolarHBondContact O-N 3.47Å; I95-S104 PolarHBondContact O-OG 3.23Å |
| 105 | S | 75.7 | Confident | 92.3 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -115.1 | 174.3 | -180 | 62.9 | 0 | 0 | 0 | 0 | 110.5 | I95 C103 F107 | I95-S105 VanDerWaalsContact CD1-OG 3.28Å; I95-S105 WeakPolarHBondContact CD1-OG 3.11Å; C103-S105 VanDerWaalsContact C-N 3.29Å; C103-S105 PolarHBondContact O-N 2.69Å; S105-F107 PolarHBondContact O-N 3.36Å; S105-F107 WeakPolarHBondContact OG-CB 3.46Å; S105-F107 WeakPolarHBondContact OG-CD2 3.15Å; S105-F107 PolarHBondContact OG-N 3.04Å |
| 106 | T | 74.2 | Confident | 92.5 | Very high | 144 Ų | 144 | 54.6 Ų | 54.6 | 88% | 0.883 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -66.4 | -6.6 | 168.5 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 107 | F | 76.3 | Confident | 92.5 | Very high | 149 Ų | 149 | 54 Ų | 54 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -83.4 | 142.4 | 177.4 | -59.6 | -78.1 | 0 | 0 | 0 | 110.3 | I95 C103 S105 | I95-F107 HydrophobicContact CD1-CB 4.04Å; C103-F107 WeakPolarHBondContact CB-O 3.14Å; S105-F107 PolarHBondContact O-N 3.36Å; S105-F107 WeakPolarHBondContact OG-CB 3.46Å; S105-F107 WeakPolarHBondContact OG-CD2 3.15Å; S105-F107 PolarHBondContact OG-N 3.04Å |
| 108 | E | 88.7 | Confident | 92.7 | Very high | 135 Ų | 135 | 50.4 Ų | 50.4 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | trans | -70 | 150.7 | 169.6 | -60.3 | -170 | -175.8 | 0 | 0 | 110.2 | N110 | E108-N110 PolarHBondContact OE2-ND2 3.13Š| ||
| 109 | C | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | trans | -118.7 | 21.3 | 174.6 | 57 | 0 | 0 | 0 | 0 | 111.2 | E92 I95 Y96 C103 S111 K113 | E92-C109 HydrophobicContact CB-CB 4.07Å; E92-C109 WeakPolarHBondContact OE2-CA 3.4Å; I95-C109 HydrophobicContact CD1-CB 4.41Å; I95-C109 HydrophobicContact CG1-CB 4.35Å; Y96-C109 HydrophobicContact CD2-CB 4.46Å; Y96-C109 WeakPolarHBondContact CD2-SG 3.41Å; C103-C109 HydrophobicContact CB-CB 3.92Å; C103-C109 WeakPolarHBondContact CB-SG 3.27Å; C103-C109 WeakPolarHBondContact SG-CB 3.46Å; C103-C109 PolarHBondContact SG-N 2.77Å; C103-C109 CovalentContact SG-SG 2.04Å; C103-C109 PolarHBondContact SG-SG 3.06Å; C109-S111 VanDerWaalsContact C-N 3.3Å; C109-S111 PolarHBondContact O-N 3.41Å; C109-K113 WeakPolarHBondContact O-CG 3.37Å; C109-K113 PolarHBondContact O-N 3.15Å; C109-K113 VanDerWaalsContact O-N 3.1Å | ||
| 110 | N | 94.8 | Very high | 93 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.9 | -28 | -176.3 | -75.4 | -34.2 | 0 | 0 | 0 | 111.7 | E92 E108 K113 Q114 | E92-N110 PolarHBondContact OE2-N 3.1Å; E108-N110 PolarHBondContact OE2-ND2 3.13Å; N110-K113 PolarHBondContact O-N 3.04Å; N110-Q114 WeakPolarHBondContact O-CB 3.28Å; N110-Q114 PolarHBondContact O-N 2.97Å |
| 111 | S | 96.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -42.1 | 178.5 | -66 | 0 | 0 | 0 | 0 | 111.7 | N75 E92 C109 Q114 I115 | N75-S111 VanDerWaalsContact CG-CB 3.5Å; N75-S111 PolarHBondContact ND2-O 3.05Å; N75-S111 VanDerWaalsContact OD1-CA 3.23Å; N75-S111 WeakPolarHBondContact OD1-CA 3.29Å; N75-S111 WeakPolarHBondContact OD1-CB 3.43Å; N75-S111 PolarHBondContact OD1-OG 3.41Å; E92-S111 WeakPolarHBondContact OE2-CA 3.33Å; E92-S111 VanDerWaalsContact OE2-CB 3.32Å; E92-S111 WeakPolarHBondContact OE2-CB 3.41Å; E92-S111 PolarHBondContact OE2-N 3.43Å; C109-S111 VanDerWaalsContact C-N 3.3Å; C109-S111 PolarHBondContact O-N 3.41Å; S111-Q114 PolarHBondContact O-N 3.38Å; S111-I115 WeakPolarHBondContact O-CG1 3.2Å; S111-I115 PolarHBondContact O-N 3.22Å |
| 112 | Y | 98.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.8 | -54.3 | 167.6 | 158.7 | -106.8 | 0 | 0 | 0 | 111.1 | W89 M90 E92 Y96 Q114 I115 V116 P154 Y155 | W89-Y112 WeakPolarHBondContact O-CB 3.34Å; W89-Y112 PolarHBondContact O-N 3.49Å; M90-Y112 HydrophobicContact CE-CD2 3.59Å; M90-Y112 HydrophobicContact CE-CE2 3.76Å; M90-Y112 HydrophobicContact SD-CD2 3.88Å; E92-Y112 PolarHBondContact OE2-N 2.84Å; Y96-Y112 HydrophobicContact CD1-CD1 4.03Å; Y96-Y112 AromaticContact CD1-CE1 3.37Å; Y96-Y112 HydrophobicContact CD1-CE1 3.37Å; Y96-Y112 AromaticContact CE1-CE1 3.94Å; Y96-Y112 HydrophobicContact CE1-CE1 3.94Å; Y96-Y112 HydrophobicContact CG-CD1 4.11Å; Y96-Y112 AromaticContact CG-CE1 3.92Å; Y96-Y112 HydrophobicContact CG-CE1 3.92Å; Y112-Q114 PolarHBondContact O-N 3.04Å; Y112-I115 PolarHBondContact O-N 3.28Å; Y112-I115 VanDerWaalsContact O-N 3.07Å; Y112-V116 HydrophobicContact CD2-CG1 4.23Å; Y112-V116 HydrophobicContact CD2-CG2 4.09Å; Y112-V116 HydrophobicContact CE1-CG2 4.03Å; Y112-V116 HydrophobicContact CE2-CB 4.29Å; Y112-V116 HydrophobicContact CE2-CG1 3.77Å; Y112-V116 HydrophobicContact CE2-CG2 3.54Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 2.84Å; Y112-P154 HydrophobicContact CE1-CG 4.47Å; Y112-Y155 PolarHBondContact OH-OH 3.43Å |
| 113 | K | 98.1 | Very high | 93.6 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.039 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -42 | -177.6 | -73.9 | -179.1 | 63.7 | 171.7 | 0 | 111.5 | Y96 D101 C109 N110 I115 V116 Q117 V149 G152 P154 | Y96-K113 HydrophobicContact CD2-CD 4.35Å; Y96-K113 HydrophobicContact CD2-CG 4.47Å; Y96-K113 HydrophobicContact CE2-CD 3.82Å; Y96-K113 HydrophobicContact CE2-CG 4.18Å; D101-K113 IonicContact OD1-NZ 2.8Å; D101-K113 PolarHBondContact OD1-NZ 2.74Å; D101-K113 IonicContact OD2-NZ 2.69Å; D101-K113 PolarHBondContact OD2-NZ 3.17Å; C109-K113 WeakPolarHBondContact O-CG 3.37Å; C109-K113 PolarHBondContact O-N 3.15Å; C109-K113 VanDerWaalsContact O-N 3.1Å; N110-K113 PolarHBondContact O-N 3.04Å; K113-I115 VanDerWaalsContact C-N 3.34Å; K113-I115 PolarHBondContact O-N 3.4Å; K113-V116 PolarHBondContact O-N 3.49Å; K113-Q117 WeakPolarHBondContact O-CA 3.33Å; K113-Q117 WeakPolarHBondContact O-CB 3.23Å; K113-Q117 PolarHBondContact O-N 3.08Å; K113-V149 HydrophobicContact CB-CG2 3.58Å; K113-G152 VanDerWaalsContact CE-O 3.28Å; K113-G152 WeakPolarHBondContact CE-O 3.47Å; K113-G152 PolarHBondContact NZ-O 2.63Å; K113-P154 HydrophobicContact CB-CB 4.24Å; K113-P154 HydrophobicContact CB-CG 4.49Å; K113-P154 HydrophobicContact CG-CB 4.41Å; K113-P154 HydrophobicContact CG-CG 4.17Å |
| 114 | Q | 98.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 178.7 | -178.7 | 63.1 | 87.3 | 0 | 0 | 113 | N110 S111 Y112 T120 Y145 P147 V149 | N110-Q114 WeakPolarHBondContact O-CB 3.28Å; N110-Q114 PolarHBondContact O-N 2.97Å; S111-Q114 PolarHBondContact O-N 3.38Å; Y112-Q114 PolarHBondContact O-N 3.04Å; Q114-T120 PolarHBondContact NE2-OG1 3.25Å; Q114-Y145 HydrophobicContact CG-CD1 4.08Å; Q114-Y145 HydrophobicContact CG-CD2 3.31Å; Q114-Y145 HydrophobicContact CG-CE1 4.44Å; Q114-Y145 HydrophobicContact CG-CE2 3.74Å; Q114-Y145 HydrophobicContact CG-CG 3.5Å; Q114-Y145 VanDerWaalsContact CG-CG 3.5Å; Q114-P147 PolarHBondContact NE2-O 3.38Å; Q114-V149 HydrophobicContact CB-CB 4.15Å |
| 115 | I | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 180 | -66.5 | 165.6 | 0 | 0 | 0 | 111 | R17 V86 W89 M90 S111 Y112 K113 Y145 | R17-I115 WeakPolarHBondContact CD-O 2.97Å; R17-I115 WeakPolarHBondContact CG-O 3.45Å; R17-I115 PolarHBondContact NH1-O 3.18Å; V86-I115 HydrophobicContact CG1-CD1 4.17Å; W89-I115 HydrophobicContact CB-CD1 3.7Å; W89-I115 HydrophobicContact CE3-CD1 4.08Å; M90-I115 HydrophobicContact CG-CD1 4.02Å; M90-I115 HydrophobicContact SD-CB 3.94Å; M90-I115 HydrophobicContact SD-CD1 3.77Å; M90-I115 HydrophobicContact SD-CG1 4.48Å; M90-I115 HydrophobicContact SD-CG2 3.7Å; S111-I115 WeakPolarHBondContact O-CG1 3.2Å; S111-I115 PolarHBondContact O-N 3.22Å; Y112-I115 PolarHBondContact O-N 3.28Å; Y112-I115 VanDerWaalsContact O-N 3.07Å; K113-I115 VanDerWaalsContact C-N 3.34Å; K113-I115 PolarHBondContact O-N 3.4Å; I115-Y145 HydrophobicContact CG1-CE1 4.49Å |
| 116 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -99.1 | 3.3 | -174.3 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | R20 L35 M90 Y112 K113 A118 P154 Y155 | R20-V116 HydrophobicContact CG-CB 4.49Å; R20-V116 HydrophobicContact CG-CG1 4.05Å; L35-V116 HydrophobicContact CD1-CB 4.16Å; L35-V116 WeakPolarHBondContact CD1-O 3.49Å; M90-V116 HydrophobicContact CE-CG1 3.96Å; M90-V116 HydrophobicContact SD-CG1 4.23Å; Y112-V116 HydrophobicContact CD2-CG1 4.23Å; Y112-V116 HydrophobicContact CD2-CG2 4.09Å; Y112-V116 HydrophobicContact CE1-CG2 4.03Å; Y112-V116 HydrophobicContact CE2-CB 4.29Å; Y112-V116 HydrophobicContact CE2-CG1 3.77Å; Y112-V116 HydrophobicContact CE2-CG2 3.54Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 2.84Å; K113-V116 PolarHBondContact O-N 3.49Å; V116-A118 PolarHBondContact O-N 3.11Å; V116-P154 HydrophobicContact CG2-CB 3.86Å; V116-P154 HydrophobicContact CG2-CG 3.75Å; V116-Y155 HydrophobicContact CB-CD1 4.23Å; V116-Y155 HydrophobicContact CB-CE1 3.88Å; V116-Y155 HydrophobicContact CG2-CD1 4.06Å; V116-Y155 HydrophobicContact CG2-CE1 3.61Å; V116-Y155 WeakPolarHBondContact O-CD1 3.14Å |
| 117 | Q | 98.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | trans | -58.9 | 126.5 | 177.2 | -173.4 | 75.4 | 50.1 | 0 | 0 | 110.3 | R17 K113 E119 T120 P154 | R17-Q117 PolarHBondContact NH1-O 3.24Å; R17-Q117 PolarHBondContact NH2-O 3.11Å; K113-Q117 WeakPolarHBondContact O-CA 3.33Å; K113-Q117 WeakPolarHBondContact O-CB 3.23Å; K113-Q117 PolarHBondContact O-N 3.08Å; Q117-E119 VanDerWaalsContact C-N 3.29Å; Q117-E119 WeakPolarHBondContact CG-OE2 3.29Å; Q117-E119 PolarHBondContact NE2-OE2 3.2Å; Q117-E119 PolarHBondContact O-N 3.3Å; Q117-T120 WeakPolarHBondContact CB-OG1 3.37Å; Q117-T120 PolarHBondContact O-N 2.85Å; Q117-P154 CarbonylContact C-O 3.47Å; Q117-P154 VanDerWaalsContact CA-O 3.27Å; Q117-P154 WeakPolarHBondContact CA-O 3.32Å; Q117-P154 HydrophobicContact CB-CB 4.41Å; Q117-P154 PolarHBondContact NE2-O 2.73Å | ||
| 118 | A | 98.3 | Very high | 97.6 | Very high | 33 Ų | 33 | 25.2 Ų | 25.2 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L35 V116 P154 | L35-A118 HydrophobicContact CD2-CB 3.91Å; V116-A118 PolarHBondContact O-N 3.11Å; A118-P154 PolarHBondContact N-O 2.78Å |
| 119 | E | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 26.3 Ų | 26.3 | 44% | 0.435 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -19.7 | -177.1 | -61.4 | 82.8 | 169.5 | 0 | 0 | 113.9 | Q117 A121 P147 | Q117-E119 VanDerWaalsContact C-N 3.29Å; Q117-E119 WeakPolarHBondContact CG-OE2 3.29Å; Q117-E119 PolarHBondContact NE2-OE2 3.2Å; Q117-E119 PolarHBondContact O-N 3.3Å; E119-A121 PolarHBondContact O-N 3.44Å; E119-P147 HydrophobicContact CB-CG 4.09Å; E119-P147 WeakPolarHBondContact O-CD 3.26Å; E119-P147 VanDerWaalsContact O-CG 3.29Å; E119-P147 WeakPolarHBondContact O-CG 3.38Å |
| 120 | T | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | trans | -67 | 124.1 | 175.3 | -63 | 0 | 0 | 0 | 0 | 108.9 | R17 L38 Q114 Q117 Y145 P147 | R17-T120 PolarHBondContact NH2-O 2.94Å; L38-T120 HydrophobicContact CD2-CG2 3.92Å; L38-T120 WeakPolarHBondContact CD2-O 3.2Å; Q114-T120 PolarHBondContact NE2-OG1 3.25Å; Q117-T120 WeakPolarHBondContact CB-OG1 3.37Å; Q117-T120 PolarHBondContact O-N 2.85Å; T120-Y145 HydrophobicContact CG2-CD1 4.21Å; T120-P147 PolarHBondContact OG1-O 3.2Å | ||
| 121 | A | 98.5 | Very high | 97.7 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | trans | -120.4 | -28.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 E39 E119 S146 | L38-A121 WeakPolarHBondContact CA-O 3.26Å; E39-A121 PolarHBondContact N-O 2.94Å; E119-A121 PolarHBondContact O-N 3.44Å; A121-S146 PolarHBondContact N-O 3.11Å | ||
| 122 | Y | 98.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 41 Ų | 41 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.8 | -175 | -58.2 | -83.1 | 0 | 0 | 0 | 111.6 | E39 D41 W69 Y145 S146 | E39-Y122 HydrophobicContact CB-CD1 3.83Å; E39-Y122 HydrophobicContact CB-CE1 3.89Å; E39-Y122 WeakPolarHBondContact O-CA 3.15Å; E39-Y122 WeakPolarHBondContact OE2-CE1 3.13Å; D41-Y122 HydrophobicContact CB-CD1 4.39Å; W69-Y122 HydrophobicContact CH2-CD1 4Å; W69-Y122 AromaticContact CH2-CD2 3.1Å; W69-Y122 HydrophobicContact CH2-CD2 3.1Å; W69-Y122 HydrophobicContact CH2-CE1 4.06Å; W69-Y122 AromaticContact CH2-CE2 3.17Å; W69-Y122 HydrophobicContact CH2-CE2 3.17Å; W69-Y122 AromaticContact CH2-CG 3.54Å; W69-Y122 HydrophobicContact CH2-CG 3.54Å; W69-Y122 AromaticContact CH2-CZ 3.67Å; W69-Y122 AromaticContact CZ2-CD1 3.88Å; W69-Y122 HydrophobicContact CZ2-CD1 3.88Å; W69-Y122 AromaticContact CZ2-CD2 3.6Å; W69-Y122 HydrophobicContact CZ2-CD2 3.6Å; W69-Y122 HydrophobicContact CZ2-CE1 4.28Å; W69-Y122 HydrophobicContact CZ2-CE2 4.03Å; W69-Y122 AromaticContact CZ2-CG 3.52Å; W69-Y122 HydrophobicContact CZ2-CG 3.52Å; W69-Y122 AromaticContact CZ3-CD2 3.63Å; W69-Y122 HydrophobicContact CZ3-CD2 3.63Å; W69-Y122 AromaticContact CZ3-CE2 3.74Å; W69-Y122 HydrophobicContact CZ3-CE2 3.74Å; W69-Y122 HydrophobicContact CZ3-CG 4.4Å; Y122-Y145 WeakPolarHBondContact O-CA 3.1Å; Y122-S146 PolarHBondContact N-O 3.19Å; Y122-S146 PolarHBondContact O-N 2.79Å |
| 123 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143.1 | 172.9 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | L10 L38 E39 W40 D41 C143 Y144 Y145 | L10-V123 HydrophobicContact CD1-CG1 3.58Å; L38-V123 HydrophobicContact CB-CB 4.48Å; L38-V123 HydrophobicContact CB-CG1 3.81Å; L38-V123 HydrophobicContact CD1-CB 4Å; L38-V123 HydrophobicContact CD1-CG1 3.92Å; E39-V123 PolarHBondContact O-N 2.76Å; W40-V123 CarbonylContact C-O 3.6Å; W40-V123 VanDerWaalsContact CA-O 3.29Å; W40-V123 WeakPolarHBondContact CA-O 3.46Å; D41-V123 PolarHBondContact N-O 2.87Å; V123-C143 HydrophobicContact CG2-CB 4.16Å; V123-Y144 CarbonylContact C-O 3.52Å; V123-Y144 VanDerWaalsContact CA-O 3.31Å; V123-Y144 WeakPolarHBondContact CA-O 3.41Å; V123-Y145 HydrophobicContact CB-CD1 3.95Å; V123-Y145 HydrophobicContact CB-CE1 4.12Å; V123-Y145 HydrophobicContact CG2-CD1 3.64Å; V123-Y145 HydrophobicContact CG2-CE1 3.43Å; V123-Y145 VanDerWaalsContact CG2-CE1 3.43Å; V123-Y145 HydrophobicContact CG2-CG 4.46Å |
| 124 | G | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 133.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y144 | G124-Y144 PolarHBondContact N-O 3.38Å; G124-Y144 PolarHBondContact O-N 2.97Å |
| 125 | C | 98.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 160.6 | -174.5 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | M1 I9 W40 A142 C143 | M1-C125 VanDerWaalsContact SD-C 3.56Å; M1-C125 HydrophobicContact SD-CB 4.18Å; I9-C125 HydrophobicContact CD1-CB 3.89Å; I9-C125 HydrophobicContact CG2-CB 4.37Å; W40-C125 HydrophobicContact CH2-CB 3.87Å; W40-C125 HydrophobicContact CZ3-CB 4.06Å; C125-A142 CarbonylContact C-O 3.51Å; C125-A142 WeakPolarHBondContact CA-O 3.39Å; C125-A142 WeakPolarHBondContact CB-O 3.39Å; C125-C143 HydrophobicContact CB-CB 4.1Å; C125-C143 WeakPolarHBondContact CB-SG 3.46Å; C125-C143 WeakPolarHBondContact SG-CB 3.24Å; C125-C143 CovalentContact SG-SG 2.04Å; C125-C143 PolarHBondContact SG-SG 2.95Å |
| 126 | G | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 160.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A142 | G126-A142 PolarHBondContact N-O 3.16Å; G126-A142 PolarHBondContact O-N 2.65Å; G126-A142 VanDerWaalsContact O-O 3.11Å |
| 127 | F | 98.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 156.6 | 176.6 | 74.1 | -93.2 | 0 | 0 | 0 | 112.4 | M1 E5 Q49 S52 L82 M139 L140 I141 | M1-F127 HydrophobicContact CE-CD1 4.47Å; M1-F127 HydrophobicContact CG-CD1 3.9Å; M1-F127 HydrophobicContact CG-CE1 3.92Å; M1-F127 HydrophobicContact SD-CD1 4.4Å; E5-F127 WeakPolarHBondContact OE1-CZ 3.38Å; Q49-F127 PolarHBondContact NE2-O 3.17Å; Q49-F127 PolarHBondContact OE1-O 3.21Å; S52-F127 VanDerWaalsContact OG-C 3.25Å; L82-F127 HydrophobicContact CD2-CD1 3.73Å; L82-F127 HydrophobicContact CD2-CE1 4.19Å; L82-F127 HydrophobicContact CD2-CG 4.34Å; F127-M139 HydrophobicContact CB-CE 4.11Å; F127-M139 HydrophobicContact CD1-CE 3.92Å; F127-M139 HydrophobicContact CD2-CB 4.32Å; F127-M139 HydrophobicContact CD2-CE 3.23Å; F127-M139 HydrophobicContact CD2-CG 3.99Å; F127-M139 HydrophobicContact CD2-SD 4.1Å; F127-M139 HydrophobicContact CE1-CE 4.1Å; F127-M139 HydrophobicContact CE2-CE 3.46Å; F127-M139 VanDerWaalsContact CE2-CE 3.46Å; F127-M139 HydrophobicContact CE2-CG 4.39Å; F127-M139 HydrophobicContact CE2-SD 4.11Å; F127-M139 HydrophobicContact CG-CE 3.48Å; F127-M139 VanDerWaalsContact CG-CE 3.48Å; F127-M139 HydrophobicContact CZ-CE 3.89Å; F127-L140 CarbonylContact C-O 3.59Å; F127-L140 WeakPolarHBondContact CA-O 3.46Å; F127-L140 WeakPolarHBondContact CB-O 3.32Å; F127-I141 HydrophobicContact CB-CB 4.31Å; F127-I141 HydrophobicContact CB-CG1 3.73Å |
| 128 | T | 97.6 | Very high | 94 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.3 | 171.8 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | Q49 S52 K53 C130 M139 L140 | Q49-T128 PolarHBondContact NE2-OG1 3.33Å; S52-T128 WeakPolarHBondContact O-CB 3.47Å; S52-T128 PolarHBondContact O-OG1 2.93Å; S52-T128 PolarHBondContact OG-N 2.8Å; S52-T128 PolarHBondContact OG-OG1 3.31Å; K53-T128 WeakPolarHBondContact CA-OG1 3.35Å; K53-T128 WeakPolarHBondContact CG-OG1 3.42Å; K53-T128 PolarHBondContact N-OG1 3.48Å; T128-C130 PolarHBondContact O-N 2.79Å; T128-C130 PolarHBondContact O-SG 3Å; T128-C130 VanDerWaalsContact O-SG 3.38Å; T128-M139 WeakPolarHBondContact O-CA 3.27Å; T128-L140 PolarHBondContact N-O 2.7Å; T128-L140 PolarHBondContact O-N 3.25Å |
| 129 | R | 96 | Very high | 93.9 | Very high | 159 Ų | 159 | 66.3 Ų | 66.3 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.9 | 167.1 | -72.5 | -177.4 | -176.3 | 93.9 | 4.5 | 108.8 | N138 M139 | R129-N138 CarbonylContact C-O 3.58Å; R129-N138 WeakPolarHBondContact CA-O 3.27Å; R129-M139 HydrophobicContact CG-CG 3.55Å; R129-M139 HydrophobicContact CG-SD 4.42Å |
| 130 | C | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | trans | -111.8 | 112.9 | -170.1 | -70.6 | 0 | 0 | 0 | 0 | 109.3 | C55 T128 Q132 Y133 N138 | C55-C130 WeakPolarHBondContact CA-SG 3.36Å; C55-C130 HydrophobicContact CB-CB 3.64Å; C55-C130 WeakPolarHBondContact CB-SG 3.32Å; C55-C130 VanDerWaalsContact SG-CA 3.53Å; C55-C130 WeakPolarHBondContact SG-CB 3.23Å; C55-C130 CovalentContact SG-SG 2.03Å; C55-C130 PolarHBondContact SG-SG 3.43Å; T128-C130 PolarHBondContact O-N 2.79Å; T128-C130 PolarHBondContact O-SG 3Å; T128-C130 VanDerWaalsContact O-SG 3.38Å; C130-Q132 PolarHBondContact O-N 3.31Å; C130-Y133 HydrophobicContact CB-CD2 3.5Å; C130-Y133 VanDerWaalsContact CB-CD2 3.5Å; C130-Y133 HydrophobicContact CB-CE2 3.75Å; C130-Y133 PolarHBondContact O-N 3.36Å; C130-Y133 VanDerWaalsContact O-N 3.07Å; C130-N138 PolarHBondContact N-O 3.36Å | ||
| 131 | R | 90.8 | Very high | 93.9 | Very high | 259 Ų | 259 | 61.9 Ų | 61.9 | 98% | 0.977 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.1 | -171.6 | -66.8 | -179.3 | 179.4 | 169.2 | -0.8 | 114.8 | Y133 | R131-Y133 VanDerWaalsContact C-N 3.31Š|
| 132 | Q | 91 | Very high | 93.9 | Very high | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12.7 | -180 | 70.1 | -169.8 | 19 | 0 | 0 | 113.9 | C55 C130 | C55-Q132 PolarHBondContact O-NE2 2.83Å; C130-Q132 PolarHBondContact O-N 3.31Å |
| 133 | Y | 90.1 | Very high | 93.9 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 21% | 0.212 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -99.2 | 133.8 | 172.7 | -56.9 | -63.8 | 0 | 0 | 0 | 109.5 | C55 P57 I78 C130 R131 S137 N138 | C55-Y133 WeakPolarHBondContact O-CE2 3.16Å; C55-Y133 PolarHBondContact O-OH 2.8Å; P57-Y133 WeakPolarHBondContact CD-OH 3.41Å; I78-Y133 HydrophobicContact CD1-CD1 4.42Å; I78-Y133 HydrophobicContact CD1-CD2 3.6Å; I78-Y133 HydrophobicContact CD1-CE1 4.19Å; I78-Y133 HydrophobicContact CD1-CE2 3.34Å; I78-Y133 HydrophobicContact CD1-CG 4.18Å; I78-Y133 HydrophobicContact CG1-CD1 4.25Å; I78-Y133 HydrophobicContact CG1-CD2 4.26Å; I78-Y133 HydrophobicContact CG1-CE1 4.09Å; I78-Y133 HydrophobicContact CG1-CE2 4.14Å; I78-Y133 HydrophobicContact CG1-CG 4.36Å; I78-Y133 HydrophobicContact CG2-CD1 4.25Å; I78-Y133 HydrophobicContact CG2-CD2 4.22Å; I78-Y133 HydrophobicContact CG2-CG 3.91Å; C130-Y133 HydrophobicContact CB-CD2 3.5Å; C130-Y133 VanDerWaalsContact CB-CD2 3.5Å; C130-Y133 HydrophobicContact CB-CE2 3.75Å; C130-Y133 PolarHBondContact O-N 3.36Å; C130-Y133 VanDerWaalsContact O-N 3.07Å; R131-Y133 VanDerWaalsContact C-N 3.31Å; Y133-S137 WeakPolarHBondContact CB-O 3.35Å; Y133-N138 WeakPolarHBondContact O-CB 3.31Å |
| 134 | E | 85.7 | Confident | 93.8 | Very high | 173 Ų | 173 | 57.4 Ų | 57.4 | 81% | 0.808 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 145.3 | -178.2 | -65.6 | -174.2 | 168.9 | 0 | 0 | 111.6 | S137 | E134-S137 CarbonylContact O-C 3.4Å; E134-S137 PolarHBondContact O-N 3.06Å |
| 135 | Y | 79.2 | Confident | 93.8 | Very high | 198 Ų | 198 | 57.4 Ų | 57.4 | 78% | 0.776 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -61.5 | 141.4 | 170.6 | 179.3 | -87.2 | 0 | 0 | 0 | 110 | ||
| 136 | P | 82.1 | Confident | 93.8 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -82.5 | -28.1 | 11.9 | 31.2 | -34.5 | 0 | 0 | 0 | 115.9 | S80 N138 | S80-P136 VanDerWaalsContact CB-O 3.25Å; S80-P136 WeakPolarHBondContact CB-O 3.18Å; P136-N138 PolarHBondContact O-N 3.33Å; P136-N138 VanDerWaalsContact O-N 3.11Å |
| 137 | S | 87.9 | Confident | 93.8 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 30% | 0.301 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -87.3 | 84.6 | -173.6 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | I78 Y133 E134 | I78-S137 WeakPolarHBondContact CG2-O 3.5Å; Y133-S137 WeakPolarHBondContact CB-O 3.35Å; E134-S137 CarbonylContact O-C 3.4Å; E134-S137 PolarHBondContact O-N 3.06Å |
| 138 | N | 93.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 63 Ų | 63 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | trans | -121.8 | 4.5 | -176.3 | 72.1 | -8.1 | 0 | 0 | 0 | 115.1 | R129 C130 Y133 P136 | R129-N138 CarbonylContact C-O 3.58Å; R129-N138 WeakPolarHBondContact CA-O 3.27Å; C130-N138 PolarHBondContact N-O 3.36Å; Y133-N138 WeakPolarHBondContact O-CB 3.31Å; P136-N138 PolarHBondContact O-N 3.33Å; P136-N138 VanDerWaalsContact O-N 3.11Å | ||
| 139 | M | 96.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.9 | 174.1 | -64.2 | 161.3 | 48.2 | 0 | 0 | 110.3 | I78 Q79 L82 F127 T128 R129 I141 | I78-M139 WeakPolarHBondContact CA-O 3.46Å; Q79-M139 PolarHBondContact N-O 3.42Å; Q79-M139 WeakPolarHBondContact O-CA 3.43Å; Q79-M139 VanDerWaalsContact O-CB 3.25Å; Q79-M139 WeakPolarHBondContact O-CB 3.27Å; Q79-M139 PolarHBondContact O-N 3.17Å; Q79-M139 VanDerWaalsContact O-N 3.09Å; L82-M139 HydrophobicContact CD2-CE 3.9Å; L82-M139 HydrophobicContact CG-CE 4.41Å; F127-M139 HydrophobicContact CB-CE 4.11Å; F127-M139 HydrophobicContact CD1-CE 3.92Å; F127-M139 HydrophobicContact CD2-CB 4.32Å; F127-M139 HydrophobicContact CD2-CE 3.23Å; F127-M139 HydrophobicContact CD2-CG 3.99Å; F127-M139 HydrophobicContact CD2-SD 4.1Å; F127-M139 HydrophobicContact CE1-CE 4.1Å; F127-M139 HydrophobicContact CE2-CE 3.46Å; F127-M139 VanDerWaalsContact CE2-CE 3.46Å; F127-M139 HydrophobicContact CE2-CG 4.39Å; F127-M139 HydrophobicContact CE2-SD 4.11Å; F127-M139 HydrophobicContact CG-CE 3.48Å; F127-M139 VanDerWaalsContact CG-CE 3.48Å; F127-M139 HydrophobicContact CZ-CE 3.89Å; T128-M139 WeakPolarHBondContact O-CA 3.27Å; R129-M139 HydrophobicContact CG-CG 3.55Å; R129-M139 HydrophobicContact CG-SD 4.42Å; M139-I141 HydrophobicContact CB-CD1 4.25Å; M139-I141 HydrophobicContact CB-CG1 3.92Å; M139-I141 HydrophobicContact CE-CD1 3.95Å; M139-I141 HydrophobicContact CE-CG1 4.07Å; M139-I141 PolarHBondContact O-N 2.85Å |
| 140 | L | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 107.8 | 159.8 | 178.3 | 56.9 | 0 | 0 | 0 | 107.6 | W51 S52 P57 I78 F127 T128 | W51-L140 HydrophobicContact CE3-CD2 4.37Å; W51-L140 HydrophobicContact CH2-CD1 4.11Å; W51-L140 HydrophobicContact CH2-CD2 4.26Å; W51-L140 HydrophobicContact CZ3-CD1 3.75Å; W51-L140 HydrophobicContact CZ3-CD2 3.82Å; W51-L140 HydrophobicContact CZ3-CG 3.87Å; S52-L140 WeakPolarHBondContact CB-O 3.39Å; P57-L140 HydrophobicContact CB-CD1 3.97Å; I78-L140 HydrophobicContact CD1-CB 3.69Å; I78-L140 HydrophobicContact CD1-CD1 3.6Å; I78-L140 HydrophobicContact CD1-CG 4.18Å; F127-L140 CarbonylContact C-O 3.59Å; F127-L140 WeakPolarHBondContact CA-O 3.46Å; F127-L140 WeakPolarHBondContact CB-O 3.32Å; T128-L140 PolarHBondContact N-O 2.7Å; T128-L140 PolarHBondContact O-N 3.25Å |
| 141 | I | 98.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.8 | 178.7 | -60.5 | 167 | 0 | 0 | 0 | 107.7 | I9 S76 V77 Q79 L82 A85 W89 F127 M139 | I9-I141 HydrophobicContact CD1-CG2 4.41Å; S76-I141 CarbonylContact C-O 3.58Å; S76-I141 WeakPolarHBondContact CA-O 3.49Å; V77-I141 PolarHBondContact N-O 3.43Å; V77-I141 PolarHBondContact O-N 3.38Å; Q79-I141 HydrophobicContact CB-CD1 4.13Å; L82-I141 HydrophobicContact CD2-CD1 3.97Å; L82-I141 HydrophobicContact CD2-CG1 4.23Å; L82-I141 HydrophobicContact CD2-CG2 4.32Å; A85-I141 HydrophobicContact CB-CB 4.26Å; A85-I141 HydrophobicContact CB-CD1 3.84Å; A85-I141 HydrophobicContact CB-CG2 3.99Å; W89-I141 HydrophobicContact CH2-CG2 4.43Å; F127-I141 HydrophobicContact CB-CB 4.31Å; F127-I141 HydrophobicContact CB-CG1 3.73Å; M139-I141 HydrophobicContact CB-CD1 4.25Å; M139-I141 HydrophobicContact CB-CG1 3.92Å; M139-I141 HydrophobicContact CE-CD1 3.95Å; M139-I141 HydrophobicContact CE-CG1 4.07Å; M139-I141 PolarHBondContact O-N 2.85Å |
| 142 | A | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A48 W51 N75 C125 G126 Y144 | A48-A142 HydrophobicContact CB-CB 4.4Å; W51-A142 HydrophobicContact CE3-CB 3.56Å; W51-A142 HydrophobicContact CZ3-CB 3.76Å; N75-A142 CarbonylContact O-C 3.55Å; N75-A142 VanDerWaalsContact O-CA 3.27Å; N75-A142 WeakPolarHBondContact O-CA 3.37Å; C125-A142 CarbonylContact C-O 3.51Å; C125-A142 WeakPolarHBondContact CA-O 3.39Å; C125-A142 WeakPolarHBondContact CB-O 3.39Å; G126-A142 PolarHBondContact N-O 3.16Å; G126-A142 PolarHBondContact O-N 2.65Å; G126-A142 VanDerWaalsContact O-O 3.11Å; A142-Y144 HydrophobicContact CB-CE2 4.47Å |
| 143 | C | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.1 | 170.1 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | R74 N75 W89 V123 C125 Y145 | R74-C143 VanDerWaalsContact CA-O 3.29Å; R74-C143 WeakPolarHBondContact CA-O 3.38Å; N75-C143 PolarHBondContact N-O 3.07Å; N75-C143 PolarHBondContact O-N 3.28Å; W89-C143 HydrophobicContact CH2-CB 4.07Å; W89-C143 HydrophobicContact CZ3-CB 4.08Å; V123-C143 HydrophobicContact CG2-CB 4.16Å; C125-C143 HydrophobicContact CB-CB 4.1Å; C125-C143 WeakPolarHBondContact CB-SG 3.46Å; C125-C143 WeakPolarHBondContact SG-CB 3.24Å; C125-C143 CovalentContact SG-SG 2.04Å; C125-C143 PolarHBondContact SG-SG 2.95Å; C143-Y145 HydrophobicContact CB-CE1 4.31Å; C143-Y145 HydrophobicContact CB-CE2 3.62Å; C143-Y145 VanDerWaalsContact CB-CZ 3.48Å; C143-Y145 VanDerWaalsContact CB-OH 3.22Å; C143-Y145 WeakPolarHBondContact CB-OH 3.25Å; C143-Y145 WeakPolarHBondContact O-CD2 3.45Å; C143-Y145 WeakPolarHBondContact O-CE2 3.48Å |
| 144 | Y | 98.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.9 | 177.3 | -83.3 | -136.8 | 0 | 0 | 0 | 108.4 | A47 A48 W51 I63 V66 V72 G73 R74 V123 G124 A142 | A47-Y144 HydrophobicContact CB-CD1 4.08Å; A47-Y144 HydrophobicContact CB-CE1 4.11Å; A48-Y144 HydrophobicContact CB-CD2 3.59Å; A48-Y144 HydrophobicContact CB-CE2 4.14Å; A48-Y144 HydrophobicContact CB-CG 4.1Å; W51-Y144 HydrophobicContact CB-CE2 4.32Å; W51-Y144 WeakPolarHBondContact CB-OH 3.39Å; W51-Y144 HydrophobicContact CG-CE2 4.48Å; I63-Y144 HydrophobicContact CD1-CE1 3.95Å; I63-Y144 HydrophobicContact CD1-CE2 4.3Å; I63-Y144 HydrophobicContact CG1-CE1 4.44Å; I63-Y144 HydrophobicContact CG2-CD1 4.34Å; I63-Y144 HydrophobicContact CG2-CE1 3.99Å; V66-Y144 HydrophobicContact CG2-CD1 3.94Å; V66-Y144 HydrophobicContact CG2-CE1 4.11Å; V72-Y144 HydrophobicContact CG1-CD1 3.62Å; V72-Y144 HydrophobicContact CG1-CE1 4.49Å; V72-Y144 HydrophobicContact CG1-CG 4.15Å; G73-Y144 CarbonylContact O-C 3.58Å; G73-Y144 VanDerWaalsContact O-CA 3.26Å; G73-Y144 WeakPolarHBondContact O-CA 3.44Å; R74-Y144 HydrophobicContact CB-CD2 4.05Å; R74-Y144 HydrophobicContact CB-CE2 3.86Å; R74-Y144 HydrophobicContact CG-CD2 3.95Å; R74-Y144 HydrophobicContact CG-CE2 3.55Å; V123-Y144 CarbonylContact C-O 3.52Å; V123-Y144 VanDerWaalsContact CA-O 3.31Å; V123-Y144 WeakPolarHBondContact CA-O 3.41Å; G124-Y144 PolarHBondContact N-O 3.38Å; G124-Y144 PolarHBondContact O-N 2.97Å; A142-Y144 HydrophobicContact CB-CE2 4.47Å |
| 145 | Y | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.5 | -170 | -56 | -92.8 | 0 | 0 | 0 | 111.1 | H13 L38 V72 G73 N75 Q114 I115 T120 Y122 V123 C143 | H13-Y145 AromaticContact CD2-CE1 3.78Å; H13-Y145 AromaticContact NE2-CE1 3.52Å; H13-Y145 AromaticContact NE2-CZ 3.57Å; H13-Y145 PolarHBondContact NE2-OH 3.1Å; L38-Y145 HydrophobicContact CD1-CD1 4.49Å; L38-Y145 HydrophobicContact CD1-CE1 4.49Å; V72-Y145 CarbonylContact C-O 3.49Å; V72-Y145 VanDerWaalsContact CA-O 3.27Å; V72-Y145 WeakPolarHBondContact CA-O 3.42Å; G73-Y145 PolarHBondContact N-O 3.15Å; G73-Y145 PolarHBondContact O-N 3.02Å; N75-Y145 HydrophobicContact CB-CE2 3.81Å; N75-Y145 PolarHBondContact ND2-OH 3Å; Q114-Y145 HydrophobicContact CG-CD1 4.08Å; Q114-Y145 HydrophobicContact CG-CD2 3.31Å; Q114-Y145 HydrophobicContact CG-CE1 4.44Å; Q114-Y145 HydrophobicContact CG-CE2 3.74Å; Q114-Y145 HydrophobicContact CG-CG 3.5Å; Q114-Y145 VanDerWaalsContact CG-CG 3.5Å; I115-Y145 HydrophobicContact CG1-CE1 4.49Å; T120-Y145 HydrophobicContact CG2-CD1 4.21Å; Y122-Y145 WeakPolarHBondContact O-CA 3.1Å; V123-Y145 HydrophobicContact CB-CD1 3.95Å; V123-Y145 HydrophobicContact CB-CE1 4.12Å; V123-Y145 HydrophobicContact CG2-CD1 3.64Å; V123-Y145 HydrophobicContact CG2-CE1 3.43Å; V123-Y145 VanDerWaalsContact CG2-CE1 3.43Å; V123-Y145 HydrophobicContact CG2-CG 4.46Å; C143-Y145 HydrophobicContact CB-CE1 4.31Å; C143-Y145 HydrophobicContact CB-CE2 3.62Å; C143-Y145 VanDerWaalsContact CB-CZ 3.48Å; C143-Y145 VanDerWaalsContact CB-OH 3.22Å; C143-Y145 WeakPolarHBondContact CB-OH 3.25Å; C143-Y145 WeakPolarHBondContact O-CD2 3.45Å; C143-Y145 WeakPolarHBondContact O-CE2 3.48Å |
| 146 | S | 98.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.3 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | A121 Y122 | A121-S146 PolarHBondContact N-O 3.11Å; Y122-S146 PolarHBondContact N-O 3.19Å; Y122-S146 PolarHBondContact O-N 2.79Å |
| 147 | P | 97.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | S | Bend | cis | -63.3 | 158.8 | -16 | 27.6 | -37.9 | 0 | 0 | 0 | 112.8 | S71 Q114 E119 T120 | S71-P147 CarbonylContact O-C 3.57Å; S71-P147 VanDerWaalsContact O-CA 3.27Å; S71-P147 WeakPolarHBondContact O-CA 3.31Å; Q114-P147 PolarHBondContact NE2-O 3.38Å; E119-P147 HydrophobicContact CB-CG 4.09Å; E119-P147 WeakPolarHBondContact O-CD 3.26Å; E119-P147 VanDerWaalsContact O-CG 3.29Å; E119-P147 WeakPolarHBondContact O-CG 3.38Å; T120-P147 PolarHBondContact OG1-O 3.2Å |
| 148 | K | 96.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 32.4 Ų | 32.4 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 158.2 | 169.1 | 81.7 | -175.2 | -177.9 | 172.9 | 0 | 112.6 | S71 G73 | S71-K148 PolarHBondContact O-N 2.95Å; S71-K148 WeakPolarHBondContact OG-CG 3.49Å; G73-K148 VanDerWaalsContact N-CB 3.28Å |
| 149 | V | 95 | Very high | 96.9 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 139.9 | 173.1 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | K113 Q114 | K113-V149 HydrophobicContact CB-CG2 3.58Å; Q114-V149 HydrophobicContact CB-CB 4.15Å |
| 150 | K | 93.7 | Very high | 96.7 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 45% | 0.452 | 22% | 0.223 | S | C | . | . | trans | -108.9 | 165.2 | -179.7 | -62.1 | 176.8 | -173.2 | 168.9 | 0 | 110.6 | ||||
| 151 | S | 92.8 | Very high | 96.6 | Very high | 119 Ų | 119 | 44.8 Ų | 44.8 | 83% | 0.832 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -62.9 | 150.7 | 166.1 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 152 | G | 95.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 90.8 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D101 K113 | D101-G152 WeakPolarHBondContact OD2-CA 3.49Å; D101-G152 PolarHBondContact OD2-N 3.43Å; K113-G152 VanDerWaalsContact CE-O 3.28Å; K113-G152 WeakPolarHBondContact CE-O 3.47Å; K113-G152 PolarHBondContact NZ-O 2.63Å |
| 153 | P | 97 | Very high | 96.4 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | trans | -58.2 | 145.4 | 178.4 | -24.5 | 34.8 | 0 | 0 | 0 | 112.7 | Y96 D101 Y155 | Y96-P153 VanDerWaalsContact OH-CA 3.31Å; Y96-P153 WeakPolarHBondContact OH-CA 3.12Å; D101-P153 HydrophobicContact CB-CG 4.3Å; P153-Y155 WeakPolarHBondContact CB-O 3.3Å; P153-Y155 PolarHBondContact O-N 2.83Å; P153-Y155 VanDerWaalsContact O-N 3.17Å | ||
| 154 | P | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -67.1 | -18.8 | -177.4 | 27.6 | -34.7 | 0 | 0 | 0 | 113.1 | Y96 Y112 K113 V116 Q117 A118 | Y96-P154 HydrophobicContact CE1-CG 4.33Å; Y96-P154 WeakPolarHBondContact OH-CD 3.28Å; Y112-P154 HydrophobicContact CE1-CG 4.47Å; K113-P154 HydrophobicContact CB-CB 4.24Å; K113-P154 HydrophobicContact CB-CG 4.49Å; K113-P154 HydrophobicContact CG-CB 4.41Å; K113-P154 HydrophobicContact CG-CG 4.17Å; V116-P154 HydrophobicContact CG2-CB 3.86Å; V116-P154 HydrophobicContact CG2-CG 3.75Å; Q117-P154 CarbonylContact C-O 3.47Å; Q117-P154 VanDerWaalsContact CA-O 3.27Å; Q117-P154 WeakPolarHBondContact CA-O 3.32Å; Q117-P154 HydrophobicContact CB-CB 4.41Å; Q117-P154 PolarHBondContact NE2-O 2.73Å; A118-P154 PolarHBondContact N-O 2.78Å |
| 155 | Y | 98.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -158.2 | 167.1 | 174.8 | 50.8 | -98.8 | 0 | 0 | 0 | 108.8 | R20 V29 A31 L35 H98 Y112 V116 P153 | R20-Y155 HydrophobicContact CB-CE1 4.37Å; R20-Y155 WeakPolarHBondContact CD-OH 3.29Å; R20-Y155 HydrophobicContact CG-CE1 4.19Å; V29-Y155 HydrophobicContact CB-CE2 4.49Å; V29-Y155 HydrophobicContact CG1-CE2 4.33Å; V29-Y155 VanDerWaalsContact O-CE2 3.25Å; V29-Y155 WeakPolarHBondContact O-CE2 3.48Å; V29-Y155 PolarHBondContact O-OH 2.85Å; A31-Y155 HydrophobicContact CB-CD1 4.47Å; A31-Y155 HydrophobicContact CB-CD2 3.57Å; A31-Y155 HydrophobicContact CB-CE2 3.97Å; A31-Y155 HydrophobicContact CB-CG 3.83Å; L35-Y155 HydrophobicContact CD1-CD1 4.07Å; L35-Y155 HydrophobicContact CD1-CE1 4.34Å; L35-Y155 HydrophobicContact CD2-CD1 4.32Å; L35-Y155 HydrophobicContact CD2-CG 4.34Å; H98-Y155 AromaticContact CE1-CD2 3.45Å; H98-Y155 VanDerWaalsContact CE1-CD2 3.45Å; H98-Y155 WeakPolarHBondContact CE1-CD2 3.28Å; H98-Y155 AromaticContact CE1-CE2 3.38Å; H98-Y155 WeakPolarHBondContact CE1-CE2 3.42Å; H98-Y155 AromaticContact CE1-CZ 3.94Å; H98-Y155 PolarHBondContact CE1-O 3.03Å; H98-Y155 AromaticContact ND1-CE2 3.91Å; H98-Y155 PolarHBondContact NE2-O 2.81Å; Y112-Y155 PolarHBondContact OH-OH 3.43Å; V116-Y155 HydrophobicContact CB-CD1 4.23Å; V116-Y155 HydrophobicContact CB-CE1 3.88Å; V116-Y155 HydrophobicContact CG2-CD1 4.06Å; V116-Y155 HydrophobicContact CG2-CE1 3.61Å; V116-Y155 WeakPolarHBondContact O-CD1 3.14Å; P153-Y155 WeakPolarHBondContact CB-O 3.3Å; P153-Y155 PolarHBondContact O-N 2.83Å; P153-Y155 VanDerWaalsContact O-N 3.17Å |
| 156 | T | 97.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | trans | -81.2 | 140 | 176.3 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | A31 E32 A158 | A31-T156 CarbonylContact C-O 3.55Å; E32-T156 HydrophobicContact CB-CG2 4.3Å; E32-T156 WeakPolarHBondContact CB-O 3.44Å; E32-T156 PolarHBondContact N-O 3.48Å; E32-T156 WeakPolarHBondContact OE2-CG2 3.19Å; T156-A158 PolarHBondContact O-N 2.77Å | ||
| 157 | D | 97.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -69 | 121.7 | 178.2 | -176.8 | -7 | 0 | 0 | 0 | 112.8 | V29 T159 | V29-D157 HydrophobicContact CG1-CB 3.77Å; V29-D157 WeakPolarHBondContact CG1-OD1 3.21Å; D157-T159 WeakPolarHBondContact OD1-CB 3.13Å; D157-T159 PolarHBondContact OD1-N 3.16Å; D157-T159 PolarHBondContact OD1-OG1 2.77Å |
| 158 | A | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -83.8 | -11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P30 A31 E32 T156 N160 R161 R162 C163 | P30-A158 HydrophobicContact CB-CB 3.83Å; P30-A158 HydrophobicContact CG-CB 3.82Å; P30-A158 VanDerWaalsContact O-CB 3.3Å; P30-A158 WeakPolarHBondContact O-CB 3.18Å; P30-A158 PolarHBondContact O-N 3.4Å; A31-A158 VanDerWaalsContact C-CB 3.43Å; A31-A158 VanDerWaalsContact O-CB 3.28Å; A31-A158 WeakPolarHBondContact O-CB 3.48Å; E32-A158 HydrophobicContact CB-CB 4.28Å; T156-A158 PolarHBondContact O-N 2.77Å; A158-N160 VanDerWaalsContact C-N 3.34Å; A158-N160 PolarHBondContact O-N 2.97Å; A158-R161 CarbonylContact O-C 3.29Å; A158-R161 VanDerWaalsContact O-C 3.29Å; A158-R161 WeakPolarHBondContact O-CA 3.01Å; A158-R161 PolarHBondContact O-N 2.74Å; A158-R162 HydrophobicContact CB-CB 4.19Å; A158-R162 PolarHBondContact O-N 3.29Å; A158-C163 PolarHBondContact O-N 3.15Å | ||
| 159 | T | 95.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -49.9 | -165.8 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | P30 D157 R161 K164 | P30-T159 WeakPolarHBondContact CD-OG1 3.01Å; D157-T159 WeakPolarHBondContact OD1-CB 3.13Å; D157-T159 PolarHBondContact OD1-N 3.16Å; D157-T159 PolarHBondContact OD1-OG1 2.77Å; T159-R161 VanDerWaalsContact C-N 3.34Å; T159-K164 PolarHBondContact O-N 3.44Å |
| 160 | N | 93.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 70 Ų | 70 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.1 | 178.7 | -70.1 | -50.3 | 0 | 0 | 0 | 113.8 | A158 | A158-N160 VanDerWaalsContact C-N 3.34Å; A158-N160 PolarHBondContact O-N 2.97Å |
| 161 | R | 94.1 | Very high | 93.9 | Very high | 125 Ų | 125 | 70.1 Ų | 70.1 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -111.6 | -176.2 | -58.3 | -173.3 | -176.8 | -163.2 | 2.4 | 110.4 | E32 A158 T159 C163 K164 Y165 | E32-R161 VanDerWaalsContact CD-NH1 3.31Å; E32-R161 HydrophobicContact CG-CB 4.39Å; E32-R161 WeakPolarHBondContact OE1-CD 3.06Å; E32-R161 IonicContact OE1-CZ 2.71Å; E32-R161 IonicContact OE1-NE 3.06Å; E32-R161 IonicContact OE1-NH1 3.89Å; E32-R161 PolarHBondContact OE1-NH1 2.88Å; E32-R161 WeakPolarHBondContact OE2-CD 3.35Å; E32-R161 IonicContact OE2-CZ 3.43Å; E32-R161 IonicContact OE2-NE 2.74Å; E32-R161 IonicContact OE2-NH1 3.39Å; E32-R161 PolarHBondContact OE2-NH1 3.16Å; A158-R161 CarbonylContact O-C 3.29Å; A158-R161 VanDerWaalsContact O-C 3.29Å; A158-R161 WeakPolarHBondContact O-CA 3.01Å; A158-R161 PolarHBondContact O-N 2.74Å; T159-R161 VanDerWaalsContact C-N 3.34Å; R161-C163 VanDerWaalsContact C-N 3.27Å; R161-C163 PolarHBondContact O-N 3.04Å; R161-C163 VanDerWaalsContact O-N 3.15Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 3.06Å; R161-Y165 WeakPolarHBondContact O-CD2 3Å; R161-Y165 PolarHBondContact O-N 2.04Å; R161-Y165 VanDerWaalsContact O-N 3.15Å |
| 162 | R | 95.5 | Very high | 93.7 | Very high | 52 Ų | 52 | 71.2 Ų | 71.2 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -46.2 | -48 | -176.8 | 178.6 | 179.6 | 67.1 | 97.5 | 5.9 | 112.4 | N21 A31 E32 A158 Y165 L166 | N21-R162 VanDerWaalsContact O-CZ 3.29Å; N21-R162 PolarHBondContact O-NH1 3.15Å; N21-R162 PolarHBondContact O-NH2 3.04Å; A31-R162 VanDerWaalsContact O-CZ 3.26Å; A31-R162 PolarHBondContact O-NE 2.86Å; A31-R162 PolarHBondContact O-NH2 3.28Å; E32-R162 WeakPolarHBondContact O-CD 3.27Å; E32-R162 PolarHBondContact O-NE 3.44Å; E32-R162 VanDerWaalsContact O-NE 3.16Å; A158-R162 HydrophobicContact CB-CB 4.19Å; A158-R162 PolarHBondContact O-N 3.29Å; R162-Y165 PolarHBondContact O-N 3Å; R162-L166 HydrophobicContact CG-CD1 3.9Å; R162-L166 HydrophobicContact CG-CG 4.42Å; R162-L166 WeakPolarHBondContact O-CG 3.37Å; R162-L166 PolarHBondContact O-N 3.45Å |
| 163 | C | 95.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 76.4 Ų | 76.4 | 3% | 0.034 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | -176.5 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | C23 P30 A158 R161 Y165 L166 N167 | C23-C163 WeakPolarHBondContact CA-SG 3.49Å; C23-C163 HydrophobicContact CB-CB 3.57Å; C23-C163 WeakPolarHBondContact CB-SG 3.47Å; C23-C163 WeakPolarHBondContact SG-CA 3.11Å; C23-C163 WeakPolarHBondContact SG-CB 3.41Å; C23-C163 CovalentContact SG-SG 2.04Å; C23-C163 PolarHBondContact SG-SG 3.23Å; P30-C163 VanDerWaalsContact CB-SG 3.54Å; P30-C163 VanDerWaalsContact CG-SG 3.59Å; A158-C163 PolarHBondContact O-N 3.15Å; R161-C163 VanDerWaalsContact C-N 3.27Å; R161-C163 PolarHBondContact O-N 3.04Å; R161-C163 VanDerWaalsContact O-N 3.15Å; C163-Y165 VanDerWaalsContact C-N 3.35Å; C163-Y165 PolarHBondContact O-N 2.91Å; C163-L166 PolarHBondContact O-N 2.99Å; C163-N167 WeakPolarHBondContact O-CB 3.47Å; C163-N167 VanDerWaalsContact O-CG 3.23Å; C163-N167 PolarHBondContact O-N 3.48Å; C163-N167 PolarHBondContact O-ND2 3.35Å |
| 164 | K | 94.1 | Very high | 92.6 | Very high | 130 Ų | 130 | 80.6 Ų | 80.6 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 172.8 | -175.9 | 178.5 | 179.7 | 178 | 0 | 111.5 | T159 R161 A168 | T159-K164 PolarHBondContact O-N 3.44Å; R161-K164 WeakPolarHBondContact O-CB 3.48Å; R161-K164 PolarHBondContact O-N 3.06Å; K164-A168 WeakPolarHBondContact O-CB 3.37Å; K164-A168 PolarHBondContact O-N 3.48Å; K164-A168 VanDerWaalsContact O-N 3.11Å |
| 165 | Y | 93.3 | Very high | 91.7 | Very high | 164 Ų | 164 | 83.2 Ų | 83.2 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.8 | -43.5 | 178.7 | -69.2 | -68.6 | 0 | 0 | 0 | 112.7 | R161 R162 C163 N167 A168 N169 | R161-Y165 WeakPolarHBondContact O-CD2 3Å; R161-Y165 PolarHBondContact O-N 2.04Å; R161-Y165 VanDerWaalsContact O-N 3.15Å; R162-Y165 PolarHBondContact O-N 3Å; C163-Y165 VanDerWaalsContact C-N 3.35Å; C163-Y165 PolarHBondContact O-N 2.91Å; Y165-N167 PolarHBondContact O-N 3.32Å; Y165-A168 PolarHBondContact O-N 3.04Å; Y165-N169 PolarHBondContact O-N 2.92Å; Y165-N169 PolarHBondContact O-ND2 3.48Å |
| 166 | L | 91.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 91.4 Ų | 91.4 | 42% | 0.424 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.6 | -72 | 174.7 | 0 | 0 | 0 | 111.7 | R162 C163 A168 N169 L170 | R162-L166 HydrophobicContact CG-CD1 3.9Å; R162-L166 HydrophobicContact CG-CG 4.42Å; R162-L166 WeakPolarHBondContact O-CG 3.37Å; R162-L166 PolarHBondContact O-N 3.45Å; C163-L166 PolarHBondContact O-N 2.99Å; L166-A168 PolarHBondContact O-N 3.39Å; L166-N169 PolarHBondContact O-N 3.46Å; L166-L170 PolarHBondContact O-N 3.04Å |
| 167 | N | 90.4 | Very high | 88.5 | Confident | 76 Ų | 76 | 91.3 Ų | 91.3 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.3 | -72.1 | -22.9 | 0 | 0 | 0 | 112.3 | C163 Y165 N169 L170 N171 | C163-N167 WeakPolarHBondContact O-CB 3.47Å; C163-N167 VanDerWaalsContact O-CG 3.23Å; C163-N167 PolarHBondContact O-N 3.48Å; C163-N167 PolarHBondContact O-ND2 3.35Å; Y165-N167 PolarHBondContact O-N 3.32Å; N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 PolarHBondContact O-N 3.28Å; N167-L170 PolarHBondContact O-N 3.12Å; N167-N171 VanDerWaalsContact O-CG 3.27Å; N167-N171 PolarHBondContact O-N 3.35Å; N167-N171 PolarHBondContact O-ND2 3Å |
| 168 | A | 90.9 | Very high | 86.3 | Confident | 46 Ų | 46 | 100.7 Ų | 100.7 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K164 Y165 L166 N171 K172 | K164-A168 WeakPolarHBondContact O-CB 3.37Å; K164-A168 PolarHBondContact O-N 3.48Å; K164-A168 VanDerWaalsContact O-N 3.11Å; Y165-A168 PolarHBondContact O-N 3.04Å; L166-A168 PolarHBondContact O-N 3.39Å; A168-N171 PolarHBondContact O-N 3.11Å; A168-K172 WeakPolarHBondContact O-CG 3.44Å; A168-K172 PolarHBondContact O-N 3.39Å; A168-K172 VanDerWaalsContact O-N 3.12Å |
| 169 | N | 90.1 | Very high | 85.7 | Confident | 78 Ų | 78 | 105.8 Ų | 105.8 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 177.6 | -72.9 | -24.4 | 0 | 0 | 0 | 112.1 | Y165 L166 N167 N171 K172 M173 | Y165-N169 PolarHBondContact O-N 2.92Å; Y165-N169 PolarHBondContact O-ND2 3.48Å; L166-N169 PolarHBondContact O-N 3.46Å; N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 PolarHBondContact O-N 3.28Å; N169-N171 VanDerWaalsContact C-N 3.29Å; N169-N171 PolarHBondContact O-N 3.43Å; N169-K172 PolarHBondContact O-N 3.4Å; N169-M173 HydrophobicContact CB-CE 4.26Å; N169-M173 WeakPolarHBondContact O-CG 3.45Å; N169-M173 PolarHBondContact O-N 3.28Å |
| 170 | L | 88.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 174.5 | -129 | 92.1 | 0 | 0 | 0 | 111.5 | L166 N167 M173 K174 | L166-L170 PolarHBondContact O-N 3.04Å; N167-L170 PolarHBondContact O-N 3.12Å; L170-M173 PolarHBondContact O-N 3.48Å; L170-K174 WeakPolarHBondContact O-CG 3.42Å; L170-K174 PolarHBondContact O-N 3.02Å |
| 171 | N | 87.3 | Confident | 84.8 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -38.5 | 178.8 | -71.6 | -19.9 | 0 | 0 | 0 | 112.1 | N167 A168 N169 K174 G175 | N167-N171 VanDerWaalsContact O-CG 3.27Å; N167-N171 PolarHBondContact O-N 3.35Å; N167-N171 PolarHBondContact O-ND2 3Å; A168-N171 PolarHBondContact O-N 3.11Å; N169-N171 VanDerWaalsContact C-N 3.29Å; N169-N171 PolarHBondContact O-N 3.43Å; N171-K174 PolarHBondContact O-N 3.22Å; N171-G175 PolarHBondContact O-N 3.28Å |
| 172 | K | 88.5 | Confident | 84.2 | Confident | 141 Ų | 141 | 106.1 Ų | 106.1 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 173.5 | -73.7 | 177.7 | -177.5 | 177.1 | 0 | 112.2 | A168 N169 G175 K176 | A168-K172 WeakPolarHBondContact O-CG 3.44Å; A168-K172 PolarHBondContact O-N 3.39Å; A168-K172 VanDerWaalsContact O-N 3.12Å; N169-K172 PolarHBondContact O-N 3.4Å; K172-G175 PolarHBondContact O-N 3.35Å; K172-K176 WeakPolarHBondContact O-CG 3.49Å; K172-K176 PolarHBondContact O-N 2.93Å |
| 173 | M | 84.7 | Confident | 83.5 | Confident | 131 Ų | 131 | 109.4 Ų | 109.4 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -43.7 | 176.4 | -66.3 | -178.8 | -139.5 | 0 | 0 | 111.4 | N169 L170 G175 K176 | N169-M173 HydrophobicContact CB-CE 4.26Å; N169-M173 WeakPolarHBondContact O-CG 3.45Å; N169-M173 PolarHBondContact O-N 3.28Å; L170-M173 PolarHBondContact O-N 3.48Å; M173-G175 VanDerWaalsContact C-N 3.31Å; M173-G175 PolarHBondContact O-N 3.42Å; M173-K176 PolarHBondContact O-N 3.43Å |
| 174 | K | 85.2 | Confident | 82.7 | Confident | 147 Ų | 147 | 116.4 Ų | 116.4 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.8 | -34.6 | 175.6 | -71.5 | 178.7 | 177.5 | 179.9 | 0 | 112.9 | L170 N171 | L170-K174 WeakPolarHBondContact O-CG 3.42Å; L170-K174 PolarHBondContact O-N 3.02Å; N171-K174 PolarHBondContact O-N 3.22Å |
| 175 | G | 77.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 115.4 Ų | 115.4 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.5 | -21.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | N171 K172 M173 | N171-G175 PolarHBondContact O-N 3.28Å; K172-G175 PolarHBondContact O-N 3.35Å; M173-G175 VanDerWaalsContact C-N 3.31Å; M173-G175 PolarHBondContact O-N 3.42Å |
| 176 | K | 68.2 | Low | 81 | Confident | 182 Ų | 182 | 111.7 Ų | 111.7 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -6.4 | 177.2 | -74.3 | -175.4 | 178.1 | -172.5 | 0 | 114.2 | K172 M173 | K172-K176 WeakPolarHBondContact O-CG 3.49Å; K172-K176 PolarHBondContact O-N 2.93Å; M173-K176 PolarHBondContact O-N 3.43Å |
| 177 | G | 59.9 | Low | 80.1 | Confident | 70 Ų | 70 | 114.3 Ų | 114.3 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 12 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 178 | K | 50.3 | Low | 79.2 | Confident | 254 Ų | 254 | 117.7 Ų | 117.7 | 100% | 1.104 | 63% | 0.626 | S | S | * | * | trans | -115.2 | 0 | 171.6 | -80 | -173.4 | 176.5 | -177.1 | 0 | 109.3 |
Retrieved 178 of 178 residues in 287 ms
(Link to these results)