| 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 | Y | 87.7 | Confident | 93.5 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | 0 | 7.9 | 0 | -48.1 | -70.2 | 0 | 0 | 0 | 115.7 | Q3 V4 S5 L78 E92 V94 | Y1-Q3 VanDerWaalsContact C-N 3.35Å; Y1-Q3 PolarHBondContact O-N 3.06Å; Y1-V4 VanDerWaalsContact O-CG1 3.27Å; Y1-V4 WeakPolarHBondContact O-CG1 3.27Å; Y1-V4 PolarHBondContact O-N 3.01Å; Y1-S5 PolarHBondContact O-N 3.12Å; Y1-S5 PolarHBondContact O-OG 3.47Å; Y1-L78 HydrophobicContact CD1-CD1 3.77Å; Y1-L78 HydrophobicContact CE1-CD1 4.24Å; Y1-E92 HydrophobicContact CE1-CB 4.08Å; Y1-E92 HydrophobicContact CE1-CG 4.33Å; Y1-E92 PolarHBondContact OH-OE2 3.09Å; Y1-V94 HydrophobicContact CD1-CG2 3.32Å; Y1-V94 HydrophobicContact CD2-CG2 4.41Å; Y1-V94 HydrophobicContact CE1-CG2 3.84Å; Y1-V94 HydrophobicContact CG-CG1 4.08Å; Y1-V94 HydrophobicContact CG-CG2 3.62Å | |||
| 2 | F | 92.6 | Very high | 93.5 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.8 | -43.3 | -175.8 | 172.8 | -115.5 | 0 | 0 | 0 | 114.4 | V4 S5 L6 V101 K104 V105 Y108 | F2-V4 PolarHBondContact O-N 2.6Å; F2-S5 PolarHBondContact O-N 3.48Å; F2-L6 HydrophobicContact CE1-CD2 4.31Å; F2-L6 HydrophobicContact CZ-CD2 4.26Å; F2-L6 WeakPolarHBondContact O-CB 3.35Å; F2-L6 PolarHBondContact O-N 3.22Å; F2-V101 HydrophobicContact CE2-CG1 4.26Å; F2-K104 HydrophobicContact CB-CD 4.38Å; F2-K104 HydrophobicContact CD2-CB 3.58Å; F2-K104 HydrophobicContact CD2-CD 3.8Å; F2-K104 HydrophobicContact CD2-CG 4.31Å; F2-K104 HydrophobicContact CE2-CB 3.43Å; F2-K104 VanDerWaalsContact CE2-CB 3.43Å; F2-K104 HydrophobicContact CG-CB 4.49Å; F2-K104 HydrophobicContact CG-CD 4.36Å; F2-K104 HydrophobicContact CZ-CB 4.24Å; F2-V105 HydrophobicContact CE2-CG2 3.81Å; F2-V105 HydrophobicContact CZ-CB 4.48Å; F2-V105 HydrophobicContact CZ-CG2 3.59Å; F2-Y108 HydrophobicContact CD1-CD2 4.44Å; F2-Y108 HydrophobicContact CD1-CE2 4.05Å; F2-Y108 AromaticContact CE1-CD2 3.91Å; F2-Y108 HydrophobicContact CE1-CD2 3.91Å; F2-Y108 AromaticContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CG-CE2 4.45Å; F2-Y108 HydrophobicContact CZ-CD2 4.09Å; F2-Y108 HydrophobicContact CZ-CE2 4.34Å |
| 3 | Q | 93.7 | Very high | 93.3 | Very high | 121 Ų | 121 | 62.2 Ų | 62.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | -177 | -177.4 | -178.5 | -2.8 | 0 | 0 | 113.1 | Y1 S5 L6 Y7 | Y1-Q3 VanDerWaalsContact C-N 3.35Å; Y1-Q3 PolarHBondContact O-N 3.06Å; Q3-S5 VanDerWaalsContact C-N 3.34Å; Q3-S5 PolarHBondContact O-N 3.45Å; Q3-L6 WeakPolarHBondContact O-CB 3.28Å; Q3-L6 PolarHBondContact O-N 3.05Å; Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE1 4.19Å; Q3-Y7 HydrophobicContact CG-CE2 3.68Å; Q3-Y7 PolarHBondContact NE2-OH 3.42Å; Q3-Y7 PolarHBondContact O-N 3.23Å |
| 4 | V | 94.9 | Very high | 93.1 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.9 | -38.6 | -179 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | Y1 F2 L6 Y7 K8 L76 L78 V94 | Y1-V4 VanDerWaalsContact O-CG1 3.27Å; Y1-V4 WeakPolarHBondContact O-CG1 3.27Å; Y1-V4 PolarHBondContact O-N 3.01Å; F2-V4 PolarHBondContact O-N 2.6Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.08Å; V4-Y7 PolarHBondContact O-N 3.42Å; V4-K8 PolarHBondContact O-N 3.24Å; V4-L76 HydrophobicContact CG1-CD1 4.36Å; V4-L76 HydrophobicContact CG2-CB 4.28Å; V4-L76 HydrophobicContact CG2-CD1 4.07Å; V4-L78 HydrophobicContact CB-CD2 3.9Å; V4-L78 HydrophobicContact CB-CG 4.43Å; V4-L78 HydrophobicContact CG1-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD2 4.23Å; V4-L78 HydrophobicContact CG1-CG 4.21Å; V4-L78 HydrophobicContact CG2-CD2 3.78Å; V4-L78 HydrophobicContact CG2-CG 4.36Å; V4-V94 HydrophobicContact CG1-CB 4.47Å; V4-V94 HydrophobicContact CG1-CG1 4.22Å; V4-V94 HydrophobicContact CG1-CG2 4.31Å |
| 5 | S | 95.4 | Very high | 93 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.7 | -34 | 175.1 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | Y1 F2 Q3 K8 Y9 F96 | Y1-S5 PolarHBondContact O-N 3.12Å; Y1-S5 PolarHBondContact O-OG 3.47Å; F2-S5 PolarHBondContact O-N 3.48Å; Q3-S5 VanDerWaalsContact C-N 3.34Å; Q3-S5 PolarHBondContact O-N 3.45Å; S5-K8 WeakPolarHBondContact O-CB 3.33Å; S5-K8 PolarHBondContact O-N 2.89Å; S5-Y9 PolarHBondContact O-N 2.64Å; S5-F96 VanDerWaalsContact O-CE2 3.31Å; S5-F96 WeakPolarHBondContact O-CE2 3.29Å |
| 6 | L | 95.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 172.1 | 178.6 | 61.9 | 0 | 0 | 0 | 111.8 | F2 Q3 V4 K8 Y9 I10 V101 V105 | F2-L6 HydrophobicContact CE1-CD2 4.31Å; F2-L6 HydrophobicContact CZ-CD2 4.26Å; F2-L6 WeakPolarHBondContact O-CB 3.35Å; F2-L6 PolarHBondContact O-N 3.22Å; Q3-L6 WeakPolarHBondContact O-CB 3.28Å; Q3-L6 PolarHBondContact O-N 3.05Å; V4-L6 VanDerWaalsContact C-N 3.33Å; V4-L6 PolarHBondContact O-N 3.08Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 2.62Å; L6-Y9 WeakPolarHBondContact O-CB 3.14Å; L6-Y9 PolarHBondContact O-N 3.33Å; L6-Y9 VanDerWaalsContact O-N 3.16Å; L6-I10 HydrophobicContact CD1-CD1 4.21Å; L6-I10 HydrophobicContact CD1-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.15Å; L6-I10 PolarHBondContact O-N 3.43Å; L6-V101 HydrophobicContact CB-CG1 4.4Å; L6-V101 HydrophobicContact CD1-CG1 4.33Å; L6-V105 HydrophobicContact CD1-CG2 3.84Å |
| 7 | Y | 94.5 | Very high | 92.5 | Very high | 137 Ų | 137 | 60.8 Ų | 60.8 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.8 | -66.5 | -18.3 | 0 | 0 | 0 | 111.9 | Q3 V4 I10 F11 | Q3-Y7 HydrophobicContact CG-CD2 4.31Å; Q3-Y7 HydrophobicContact CG-CE1 4.19Å; Q3-Y7 HydrophobicContact CG-CE2 3.68Å; Q3-Y7 PolarHBondContact NE2-OH 3.42Å; Q3-Y7 PolarHBondContact O-N 3.23Å; V4-Y7 PolarHBondContact O-N 3.42Å; Y7-I10 PolarHBondContact O-N 2.92Å; Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.01Å |
| 8 | K | 95.1 | Very high | 92.4 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 7% | 0.074 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.2 | -54 | 170.6 | -162.6 | -43.6 | -172.4 | 109.9 | 0 | 110.7 | V4 S5 L6 I10 F11 D12 I73 L76 F96 | V4-K8 PolarHBondContact O-N 3.24Å; S5-K8 WeakPolarHBondContact O-CB 3.33Å; S5-K8 PolarHBondContact O-N 2.89Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 2.62Å; K8-I10 PolarHBondContact O-N 3.46Å; K8-F11 WeakPolarHBondContact O-CA 3.27Å; K8-F11 WeakPolarHBondContact O-CB 3.13Å; K8-F11 PolarHBondContact O-N 2.87Å; K8-D12 HydrophobicContact CD-CB 4.38Å; K8-D12 VanDerWaalsContact CD-CG 3.45Å; K8-D12 WeakPolarHBondContact CD-OD1 3.39Å; K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 WeakPolarHBondContact CE-OD2 2.9Å; K8-D12 VanDerWaalsContact NZ-CG 3.33Å; K8-D12 IonicContact NZ-OD1 2.63Å; K8-D12 PolarHBondContact NZ-OD1 3.05Å; K8-D12 IonicContact NZ-OD2 3.97Å; K8-D12 PolarHBondContact NZ-OD2 3.35Å; K8-D12 PolarHBondContact O-N 3.4Å; K8-I73 WeakPolarHBondContact CE-O 3.02Å; K8-I73 PolarHBondContact NZ-O 3.38Å; K8-L76 HydrophobicContact CB-CD1 3.82Å; K8-L76 HydrophobicContact CB-CD2 4.11Å; K8-L76 HydrophobicContact CG-CD1 4.11Å; K8-L76 HydrophobicContact CG-CD2 3.69Å; K8-L76 HydrophobicContact CG-CG 4.42Å; K8-F96 HydrophobicContact CB-CD2 3.8Å; K8-F96 HydrophobicContact CB-CE2 3.88Å; K8-F96 HydrophobicContact CD-CD2 4.32Å; K8-F96 HydrophobicContact CD-CE1 4.4Å; K8-F96 HydrophobicContact CD-CE2 4.19Å; K8-F96 HydrophobicContact CD-CG 4.49Å; K8-F96 HydrophobicContact CD-CZ 4.22Å; K8-F96 HydrophobicContact CG-CD2 3.79Å; K8-F96 HydrophobicContact CG-CE2 4.04Å; K8-F96 HydrophobicContact CG-CG 4.11Å; K8-F96 VanDerWaalsContact NZ-CD1 3.31Å; K8-F96 VanDerWaalsContact NZ-CE1 3.28Å |
| 9 | Y | 94.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.7 | -42.1 | -177.9 | 179.6 | -95.2 | 0 | 0 | 0 | 112.7 | S5 L6 A13 F96 E98 K102 | S5-Y9 PolarHBondContact O-N 2.64Å; L6-Y9 WeakPolarHBondContact O-CB 3.14Å; L6-Y9 PolarHBondContact O-N 3.33Å; L6-Y9 VanDerWaalsContact O-N 3.16Å; Y9-A13 PolarHBondContact O-N 2.9Å; Y9-A13 VanDerWaalsContact O-N 3.15Å; Y9-F96 HydrophobicContact CD2-CZ 4.44Å; Y9-E98 HydrophobicContact CD2-CG 3.84Å; Y9-E98 HydrophobicContact CE2-CG 3.77Å; Y9-K102 HydrophobicContact CE2-CD 4.47Å; Y9-K102 VanDerWaalsContact CE2-CE 3.45Å; Y9-K102 HydrophobicContact CE2-CG 4.41Å; Y9-K102 VanDerWaalsContact CZ-CE 3.48Å; Y9-K102 WeakPolarHBondContact OH-CE 3.47Å; Y9-K102 PolarHBondContact OH-NZ 3.42Å |
| 10 | I | 92.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 176.4 | -62.6 | 167.2 | 0 | 0 | 0 | 110.8 | L6 Y7 K8 A13 M14 | L6-I10 HydrophobicContact CD1-CD1 4.21Å; L6-I10 HydrophobicContact CD1-CG1 4.43Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.15Å; L6-I10 PolarHBondContact O-N 3.43Å; Y7-I10 PolarHBondContact O-N 2.92Å; K8-I10 PolarHBondContact O-N 3.46Å; I10-A13 WeakPolarHBondContact O-CB 2.94Å; I10-A13 PolarHBondContact O-N 2.74Å; I10-M14 HydrophobicContact CG2-CE 4.22Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.79Å |
| 11 | F | 92.1 | Very high | 91.4 | Very high | 62 Ų | 62 | 62.6 Ų | 62.6 | 27% | 0.272 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 176.1 | 176.8 | -96.7 | 0 | 0 | 0 | 112.2 | Y7 K8 A13 M14 V15 L65 L70 I73 | Y7-F11 WeakPolarHBondContact O-CB 3.44Å; Y7-F11 PolarHBondContact O-N 3.01Å; K8-F11 WeakPolarHBondContact O-CA 3.27Å; K8-F11 WeakPolarHBondContact O-CB 3.13Å; K8-F11 PolarHBondContact O-N 2.87Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.14Å; F11-M14 HydrophobicContact CB-CE 4.3Å; F11-M14 HydrophobicContact CD2-CE 4.31Å; F11-M14 WeakPolarHBondContact O-CA 3.22Å; F11-M14 WeakPolarHBondContact O-CB 3.5Å; F11-M14 PolarHBondContact O-N 3.46Å; F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.66Å; F11-V15 HydrophobicContact CE2-CG2 4.16Å; F11-V15 HydrophobicContact CZ-CG2 3.69Å; F11-V15 WeakPolarHBondContact O-CG2 3.44Å; F11-V15 PolarHBondContact O-N 3.36Å; F11-L65 HydrophobicContact CE2-CD2 3.7Å; F11-L65 HydrophobicContact CZ-CD2 4.15Å; F11-L70 HydrophobicContact CE1-CD1 4.3Å; F11-L70 HydrophobicContact CZ-CD1 3.82Å; F11-I73 HydrophobicContact CE1-CD1 4.12Å |
| 12 | D | 92.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59 | -40.7 | 175.7 | -83.8 | 13.2 | 0 | 0 | 0 | 112 | K8 M14 V15 Q16 | K8-D12 HydrophobicContact CD-CB 4.38Å; K8-D12 VanDerWaalsContact CD-CG 3.45Å; K8-D12 WeakPolarHBondContact CD-OD1 3.39Å; K8-D12 WeakPolarHBondContact CE-OD1 3.37Å; K8-D12 WeakPolarHBondContact CE-OD2 2.9Å; K8-D12 VanDerWaalsContact NZ-CG 3.33Å; K8-D12 IonicContact NZ-OD1 2.63Å; K8-D12 PolarHBondContact NZ-OD1 3.05Å; K8-D12 IonicContact NZ-OD2 3.97Å; K8-D12 PolarHBondContact NZ-OD2 3.35Å; K8-D12 PolarHBondContact O-N 3.4Å; D12-M14 VanDerWaalsContact C-N 3.28Å; D12-M14 PolarHBondContact O-N 3.26Å; D12-V15 PolarHBondContact O-N 2.86Å; D12-Q16 VanDerWaalsContact O-CB 3.27Å; D12-Q16 WeakPolarHBondContact O-CB 3.31Å; D12-Q16 WeakPolarHBondContact O-CG 3.5Å; D12-Q16 PolarHBondContact O-N 3.5Å |
| 13 | A | 91.7 | Very high | 90.9 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y9 I10 F11 G17 K18 V19 | Y9-A13 PolarHBondContact O-N 2.9Å; Y9-A13 VanDerWaalsContact O-N 3.15Å; I10-A13 WeakPolarHBondContact O-CB 2.94Å; I10-A13 PolarHBondContact O-N 2.74Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.14Å; A13-G17 PolarHBondContact O-N 2.87Å; A13-K18 HydrophobicContact CB-CB 4.2Å; A13-K18 WeakPolarHBondContact O-CA 3.23Å; A13-K18 WeakPolarHBondContact O-CB 3.38Å; A13-K18 PolarHBondContact O-N 3.06Å; A13-V19 HydrophobicContact CB-CG2 3.79Å; A13-V19 PolarHBondContact O-N 2.85Å |
| 14 | M | 90.5 | Very high | 90.4 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 172.8 | -66.2 | -175.2 | -68.5 | 0 | 0 | 111.8 | I10 F11 D12 Q16 G17 V19 F62 L65 | I10-M14 HydrophobicContact CG2-CE 4.22Å; I10-M14 WeakPolarHBondContact O-CG 3.31Å; I10-M14 PolarHBondContact O-N 2.79Å; F11-M14 HydrophobicContact CB-CE 4.3Å; F11-M14 HydrophobicContact CD2-CE 4.31Å; F11-M14 WeakPolarHBondContact O-CA 3.22Å; F11-M14 WeakPolarHBondContact O-CB 3.5Å; F11-M14 PolarHBondContact O-N 3.46Å; D12-M14 VanDerWaalsContact C-N 3.28Å; D12-M14 PolarHBondContact O-N 3.26Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Q16 PolarHBondContact O-N 3.25Å; M14-G17 PolarHBondContact O-N 2.92Å; M14-V19 HydrophobicContact CG-CB 3.8Å; M14-V19 HydrophobicContact CG-CG1 4.09Å; M14-V19 HydrophobicContact CG-CG2 4.04Å; M14-F62 HydrophobicContact CB-CD1 4.4Å; M14-F62 HydrophobicContact CB-CE1 4.13Å; M14-F62 HydrophobicContact CG-CE1 3.81Å; M14-F62 HydrophobicContact SD-CE1 3.8Å; M14-L65 HydrophobicContact CB-CD1 3.92Å |
| 15 | V | 91 | Very high | 90 | Very high | 37 Ų | 37 | 57.6 Ų | 57.6 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | F11 D12 G17 L65 L70 | F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.66Å; F11-V15 HydrophobicContact CE2-CG2 4.16Å; F11-V15 HydrophobicContact CZ-CG2 3.69Å; F11-V15 WeakPolarHBondContact O-CG2 3.44Å; F11-V15 PolarHBondContact O-N 3.36Å; D12-V15 PolarHBondContact O-N 2.86Å; V15-G17 PolarHBondContact O-N 3.41Å; V15-L65 HydrophobicContact CG2-CB 4.38Å; V15-L65 HydrophobicContact CG2-CD2 4.19Å; V15-L70 HydrophobicContact CG1-CD1 4.19Å; V15-L70 HydrophobicContact CG2-CD1 3.69Å |
| 16 | Q | 89.9 | Confident | 89.7 | Confident | 109 Ų | 109 | 63.9 Ų | 63.9 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 1.3 | 177.5 | -66.1 | 167.3 | 20 | 0 | 0 | 113.6 | D12 M14 K18 | D12-Q16 VanDerWaalsContact O-CB 3.27Å; D12-Q16 WeakPolarHBondContact O-CB 3.31Å; D12-Q16 WeakPolarHBondContact O-CG 3.5Å; D12-Q16 PolarHBondContact O-N 3.5Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Q16 PolarHBondContact O-N 3.25Å; Q16-K18 HydrophobicContact CB-CD 4.3Å; Q16-K18 HydrophobicContact CB-CG 4.21Å; Q16-K18 PolarHBondContact O-N 2.87Å |
| 17 | G | 88.7 | Confident | 89.3 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 14.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A13 M14 V15 V19 | A13-G17 PolarHBondContact O-N 2.87Å; M14-G17 PolarHBondContact O-N 2.92Å; V15-G17 PolarHBondContact O-N 3.41Å; G17-V19 VanDerWaalsContact C-N 3.32Å |
| 18 | K | 90.1 | Very high | 89 | Confident | 152 Ų | 152 | 65.2 Ų | 65.2 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | trans | -76.2 | -22.3 | 176.5 | -65.9 | 174.9 | 176.9 | 166.4 | 0 | 112.3 | A13 Q16 | A13-K18 HydrophobicContact CB-CB 4.2Å; A13-K18 WeakPolarHBondContact O-CA 3.23Å; A13-K18 WeakPolarHBondContact O-CB 3.38Å; A13-K18 PolarHBondContact O-N 3.06Å; Q16-K18 HydrophobicContact CB-CD 4.3Å; Q16-K18 HydrophobicContact CB-CG 4.21Å; Q16-K18 PolarHBondContact O-N 2.87Å | ||
| 19 | V | 88.6 | Confident | 88.7 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -101.8 | 124 | 170.9 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | A13 M14 G17 L24 F62 | A13-V19 HydrophobicContact CB-CG2 3.79Å; A13-V19 PolarHBondContact O-N 2.85Å; M14-V19 HydrophobicContact CG-CB 3.8Å; M14-V19 HydrophobicContact CG-CG1 4.09Å; M14-V19 HydrophobicContact CG-CG2 4.04Å; G17-V19 VanDerWaalsContact C-N 3.32Å; V19-L24 HydrophobicContact CG1-CD1 4.11Å; V19-L24 HydrophobicContact CG1-CD2 4.49Å; V19-L24 HydrophobicContact CG1-CG 4.05Å; V19-F62 HydrophobicContact CG1-CE1 4.39Å; V19-F62 HydrophobicContact CG1-CZ 4.14Å |
| 20 | T | 84.9 | Confident | 88.4 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | trans | -118.2 | 159.7 | 179.5 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | A22 S23 L24 | T20-A22 PolarHBondContact O-N 2.85Å; T20-S23 PolarHBondContact N-OG 3.43Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.13Å; T20-S23 PolarHBondContact OG1-N 3.47Å; T20-L24 PolarHBondContact O-N 3.41Å | ||
| 21 | P | 83.3 | Confident | 88.3 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 26% | 0.26 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -50.6 | -42.6 | 170.5 | -27.7 | 34.5 | 0 | 0 | 0 | 112.5 | S23 L24 I25 M58 F62 | P21-S23 PolarHBondContact O-N 2.82Å; P21-L24 PolarHBondContact O-N 2.83Å; P21-I25 VanDerWaalsContact O-CG1 3.27Å; P21-I25 WeakPolarHBondContact O-CG1 3.46Å; P21-I25 PolarHBondContact O-N 2.93Å; P21-M58 HydrophobicContact CB-CE 4.41Å; P21-F62 HydrophobicContact CG-CD2 3.68Å; P21-F62 HydrophobicContact CG-CE2 3.83Å |
| 22 | A | 84.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.6 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T20 L24 I25 H26 | T20-A22 PolarHBondContact O-N 2.85Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.05Å; A22-I25 PolarHBondContact O-N 2.9Å; A22-H26 WeakPolarHBondContact O-CB 3.48Å; A22-H26 PolarHBondContact O-N 3.37Å |
| 23 | S | 84.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 25% | 0.252 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 177.6 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | T20 P21 H26 H27 | T20-S23 PolarHBondContact N-OG 3.43Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.13Å; T20-S23 PolarHBondContact OG1-N 3.47Å; P21-S23 PolarHBondContact O-N 2.82Å; S23-H26 PolarHBondContact O-N 3.4Å; S23-H27 PolarHBondContact O-CD2 2.74Å; S23-H27 PolarHBondContact O-N 2.9Å |
| 24 | L | 83.2 | Confident | 88.2 | Confident | 59 Ų | 59 | 83 Ų | 83 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.3 | -40.3 | 178.1 | -75.3 | 171.9 | 0 | 0 | 0 | 112.5 | V19 T20 P21 A22 H26 H27 T28 M58 F62 | V19-L24 HydrophobicContact CG1-CD1 4.11Å; V19-L24 HydrophobicContact CG1-CD2 4.49Å; V19-L24 HydrophobicContact CG1-CG 4.05Å; T20-L24 PolarHBondContact O-N 3.41Å; P21-L24 PolarHBondContact O-N 2.83Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.05Å; L24-H26 VanDerWaalsContact C-N 3.27Å; L24-H26 PolarHBondContact O-N 3.07Å; L24-H27 PolarHBondContact O-N 3.42Å; L24-T28 WeakPolarHBondContact O-CB 3.21Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.5Å; L24-T28 PolarHBondContact O-N 2.87Å; L24-T28 PolarHBondContact O-OG1 2.8Å; L24-M58 HydrophobicContact CB-CE 3.85Å; L24-M58 HydrophobicContact CD1-CE 3.33Å; L24-M58 HydrophobicContact CG-CE 4.24Å; L24-F62 HydrophobicContact CD1-CE2 4.12Å; L24-F62 HydrophobicContact CD1-CZ 3.6Å |
| 25 | I | 86.5 | Confident | 88.4 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 174.6 | -65.9 | 164.5 | 0 | 0 | 0 | 109.7 | P21 A22 H27 K29 L32 | P21-I25 VanDerWaalsContact O-CG1 3.27Å; P21-I25 WeakPolarHBondContact O-CG1 3.46Å; P21-I25 PolarHBondContact O-N 2.93Å; A22-I25 PolarHBondContact O-N 2.9Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.37Å; I25-K29 WeakPolarHBondContact O-CA 3.44Å; I25-K29 PolarHBondContact O-N 3.07Å; I25-L32 HydrophobicContact CD1-CD1 3.62Å; I25-L32 HydrophobicContact CD1-CG 4.22Å; I25-L32 HydrophobicContact CG1-CD1 3.41Å; I25-L32 VanDerWaalsContact CG1-CD1 3.41Å; I25-L32 HydrophobicContact CG1-CG 3.81Å |
| 26 | H | 89 | Confident | 88.6 | Confident | 141 Ų | 141 | 86.1 Ų | 86.1 | 65% | 0.653 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.6 | -43.7 | -179.5 | -178.7 | 44.2 | 0 | 0 | 0 | 112.5 | A22 S23 L24 | A22-H26 WeakPolarHBondContact O-CB 3.48Å; A22-H26 PolarHBondContact O-N 3.37Å; S23-H26 PolarHBondContact O-N 3.4Å; L24-H26 VanDerWaalsContact C-N 3.27Å; L24-H26 PolarHBondContact O-N 3.07Å |
| 27 | H | 86.9 | Confident | 88.9 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.667 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -84.9 | -36.1 | -176.9 | -68.5 | -59 | 0 | 0 | 0 | 114.3 | S23 L24 I25 | S23-H27 PolarHBondContact O-CD2 2.74Å; S23-H27 PolarHBondContact O-N 2.9Å; L24-H27 PolarHBondContact O-N 3.42Å; I25-H27 VanDerWaalsContact C-N 3.32Å; I25-H27 PolarHBondContact O-N 3.37Å |
| 28 | T | 87.8 | Confident | 89.3 | Confident | 66 Ų | 66 | 86.1 Ų | 86.1 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -88.7 | -21 | -174.5 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | L24 L30 | L24-T28 WeakPolarHBondContact O-CB 3.21Å; L24-T28 VanDerWaalsContact O-CG2 3.31Å; L24-T28 WeakPolarHBondContact O-CG2 3.5Å; L24-T28 PolarHBondContact O-N 2.87Å; L24-T28 PolarHBondContact O-OG1 2.8Å; T28-L30 HydrophobicContact CG2-CD1 4.46Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 PolarHBondContact OG1-N 2.84Å |
| 29 | K | 88.3 | Confident | 89.6 | Confident | 189 Ų | 189 | 82.5 Ų | 82.5 | 82% | 0.822 | 47% | 0.465 | S | S | * | . | trans | 55.6 | 26.5 | -174.3 | -53 | -178.7 | -179.1 | 179.4 | 0 | 113.2 | I25 | I25-K29 WeakPolarHBondContact O-CA 3.44Å; I25-K29 PolarHBondContact O-N 3.07Å | ||
| 30 | L | 88.9 | Confident | 89.9 | Confident | 97 Ų | 97 | 84.3 Ų | 84.3 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | trans | -80 | 147.7 | 176.3 | -66.1 | 173.5 | 0 | 0 | 0 | 111.2 | T28 L32 L54 | T28-L30 HydrophobicContact CG2-CD1 4.46Å; T28-L30 PolarHBondContact O-N 2.93Å; T28-L30 PolarHBondContact OG1-N 2.84Å; L30-L32 HydrophobicContact CB-CD2 4.1Å; L30-L54 HydrophobicContact CD1-CD2 4.45Å | ||
| 31 | C | 89.8 | Confident | 90.4 | Very high | 76 Ų | 76 | 83.3 Ų | 83.3 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | trans | -93 | 104.5 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | K34 | C31-K34 HydrophobicContact CB-CD 4.41Å; C31-K34 HydrophobicContact CB-CG 4.27Å | ||
| 32 | L | 89.5 | Confident | 91 | Very high | 11 Ų | 11 | 89.2 Ų | 89.2 | 6% | 0.058 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -24.7 | -171.4 | -60.8 | -168 | 0 | 0 | 0 | 113.8 | I25 L30 K34 S53 L54 G55 M58 | I25-L32 HydrophobicContact CD1-CD1 3.62Å; I25-L32 HydrophobicContact CD1-CG 4.22Å; I25-L32 HydrophobicContact CG1-CD1 3.41Å; I25-L32 VanDerWaalsContact CG1-CD1 3.41Å; I25-L32 HydrophobicContact CG1-CG 3.81Å; L30-L32 HydrophobicContact CB-CD2 4.1Å; L32-K34 PolarHBondContact O-N 2.63Å; L32-S53 VanDerWaalsContact O-CB 3.23Å; L32-S53 WeakPolarHBondContact O-CB 3.34Å; L32-S53 PolarHBondContact O-OG 2.82Å; L32-L54 HydrophobicContact CD2-CB 4.37Å; L32-L54 HydrophobicContact CD2-CD2 3.66Å; L32-L54 HydrophobicContact CD2-CG 3.95Å; L32-L54 PolarHBondContact O-N 3.49Å; L32-L54 VanDerWaalsContact O-N 3.09Å; L32-G55 PolarHBondContact O-N 3.35Å; L32-G55 VanDerWaalsContact O-N 3.13Å; L32-M58 HydrophobicContact CD1-CE 4.11Å; L32-M58 HydrophobicContact CD1-SD 3.65Å; L32-M58 HydrophobicContact CD2-SD 3.79Å; L32-M58 HydrophobicContact CG-SD 4.39Å |
| 33 | D | 91.4 | Very high | 91.5 | Very high | 131 Ų | 131 | 92.4 Ų | 92.4 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.8 | -174.9 | -51.8 | -52.5 | 0 | 0 | 0 | 113.5 | ||
| 34 | K | 94.3 | Very high | 91.9 | Very high | 143 Ų | 143 | 91.4 Ų | 91.4 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -62.7 | 133.4 | 176.7 | -76.4 | -170.4 | 177.7 | -177.5 | 0 | 110 | C31 L32 L36 | C31-K34 HydrophobicContact CB-CD 4.41Å; C31-K34 HydrophobicContact CB-CG 4.27Å; L32-K34 PolarHBondContact O-N 2.63Å; K34-L36 PolarHBondContact O-N 3.2Å |
| 35 | P | 95.6 | Very high | 92.4 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 75% | 0.753 | 50% | 0.501 | S | S | * | . | B | Isolated β-bridge | trans | -57.4 | 133.9 | 176.2 | -25.5 | 34.1 | 0 | 0 | 0 | 111.8 | K52 | P35-K52 CarbonylContact C-O 3.14Å; P35-K52 WeakPolarHBondContact CA-O 3.47Å |
| 36 | L | 95.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 100.6 Ų | 100.6 | 16% | 0.157 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 151.2 | 172 | -64 | 170.1 | 0 | 0 | 0 | 110.5 | K34 V40 L41 V51 K52 L57 | K34-L36 PolarHBondContact O-N 3.2Å; L36-V40 HydrophobicContact CB-CB 4.29Å; L36-V40 HydrophobicContact CB-CG1 4.27Å; L36-V40 HydrophobicContact CD1-CG1 4.06Å; L36-V40 HydrophobicContact CD2-CG1 4.41Å; L36-V40 HydrophobicContact CG-CG1 4.49Å; L36-L41 HydrophobicContact CB-CD2 3.89Å; L36-L41 HydrophobicContact CB-CG 4.05Å; L36-L41 HydrophobicContact CD1-CD2 4.3Å; L36-L41 WeakPolarHBondContact O-CD1 3.35Å; L36-V51 HydrophobicContact CD1-CB 4.49Å; L36-V51 HydrophobicContact CD1-CG2 3.93Å; L36-K52 PolarHBondContact N-O 3.3Å; L36-L57 HydrophobicContact CD1-CD1 3.56Å; L36-L57 HydrophobicContact CD1-CG 4.22Å; L36-L57 HydrophobicContact CD2-CD1 4.28Å |
| 37 | G | 96 | Very high | 92.9 | Very high | 33 Ų | 33 | 96.7 Ų | 96.7 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 151 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S39 V40 L41 | G37-S39 PolarHBondContact O-N 3.31Å; G37-S39 VanDerWaalsContact O-N 3.13Å; G37-V40 WeakPolarHBondContact O-CB 3.42Å; G37-V40 PolarHBondContact O-N 3.18Å; G37-L41 PolarHBondContact O-N 3.02Å |
| 38 | P | 96.2 | Very high | 93.3 | Very high | 112 Ų | 112 | 93.3 Ų | 93.3 | 73% | 0.727 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.8 | -33.5 | -177.9 | -26.8 | 34.4 | 0 | 0 | 0 | 114.5 | R42 | P38-R42 WeakPolarHBondContact O-CB 3.38Å; P38-R42 PolarHBondContact O-N 2.94Å |
| 39 | S | 96.4 | Very high | 93.5 | Very high | 75 Ų | 75 | 92.3 Ų | 92.3 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | G37 R42 H43 | G37-S39 PolarHBondContact O-N 3.31Å; G37-S39 VanDerWaalsContact O-N 3.13Å; S39-R42 PolarHBondContact O-N 3.22Å; S39-H43 PolarHBondContact O-N 3.34Å |
| 40 | V | 95.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 88.7 Ų | 88.7 | 40% | 0.4 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | L36 G37 R42 H43 A44 | L36-V40 HydrophobicContact CB-CB 4.29Å; L36-V40 HydrophobicContact CB-CG1 4.27Å; L36-V40 HydrophobicContact CD1-CG1 4.06Å; L36-V40 HydrophobicContact CD2-CG1 4.41Å; L36-V40 HydrophobicContact CG-CG1 4.49Å; G37-V40 WeakPolarHBondContact O-CB 3.42Å; G37-V40 PolarHBondContact O-N 3.18Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.22Å; V40-H43 PolarHBondContact O-N 3.15Å; V40-A44 WeakPolarHBondContact O-CB 3.21Å; V40-A44 PolarHBondContact O-N 3.26Å |
| 41 | L | 95.4 | Very high | 94 | Very high | 40 Ų | 40 | 84.7 Ų | 84.7 | 21% | 0.209 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.8 | -66.6 | 175.1 | 0 | 0 | 0 | 112.1 | L36 G37 R45 V51 | L36-L41 HydrophobicContact CB-CD2 3.89Å; L36-L41 HydrophobicContact CB-CG 4.05Å; L36-L41 HydrophobicContact CD1-CD2 4.3Å; L36-L41 WeakPolarHBondContact O-CD1 3.35Å; G37-L41 PolarHBondContact O-N 3.02Å; L41-R45 WeakPolarHBondContact O-CG 3.41Å; L41-R45 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-N 3.07Å; L41-V51 WeakPolarHBondContact CD2-O 3.46Å |
| 42 | R | 96 | Very high | 94.3 | Very high | 165 Ų | 165 | 88.7 Ų | 88.7 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 176.5 | -178.6 | 174.7 | 59.9 | -172.4 | -1.8 | 111.4 | P38 S39 V40 R45 Q46 | P38-R42 WeakPolarHBondContact O-CB 3.38Å; P38-R42 PolarHBondContact O-N 2.94Å; S39-R42 PolarHBondContact O-N 3.22Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.22Å; R42-R45 PolarHBondContact O-N 3.45Å; R42-Q46 WeakPolarHBondContact O-CG 3.45Å; R42-Q46 PolarHBondContact O-N 3.21Å |
| 43 | H | 95.4 | Very high | 94.5 | Very high | 135 Ų | 135 | 88.4 Ų | 88.4 | 63% | 0.625 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 178 | -172.4 | 72.5 | 0 | 0 | 0 | 111.9 | S39 V40 R45 Q46 G47 | S39-H43 PolarHBondContact O-N 3.34Å; V40-H43 PolarHBondContact O-N 3.15Å; H43-R45 VanDerWaalsContact C-N 3.32Å; H43-R45 PolarHBondContact O-N 3.19Å; H43-Q46 WeakPolarHBondContact O-CB 3.27Å; H43-Q46 PolarHBondContact O-N 3.4Å; H43-Q46 VanDerWaalsContact O-N 3.13Å; H43-G47 PolarHBondContact O-N 3.16Å |
| 44 | A | 93.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 85.4 Ų | 85.4 | 12% | 0.116 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V40 Q46 G47 G48 V49 V51 | V40-A44 WeakPolarHBondContact O-CB 3.21Å; V40-A44 PolarHBondContact O-N 3.26Å; A44-Q46 VanDerWaalsContact C-N 3.35Å; A44-Q46 PolarHBondContact O-N 3.01Å; A44-G47 CarbonylContact O-C 3.6Å; A44-G47 WeakPolarHBondContact O-CA 3.47Å; A44-G47 PolarHBondContact O-N 2.9Å; A44-G47 VanDerWaalsContact O-N 3.08Å; A44-G48 PolarHBondContact O-N 3.45Å; A44-V49 CarbonylContact C-O 3.42Å; A44-V49 HydrophobicContact CB-CB 4.47Å; A44-V49 PolarHBondContact O-N 3.34Å; A44-V49 VanDerWaalsContact O-O 3.11Å; A44-V51 HydrophobicContact CB-CG2 3.68Å |
| 45 | R | 94.1 | Very high | 94.5 | Very high | 186 Ų | 186 | 79 Ų | 79 | 70% | 0.702 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.6 | -39.8 | 175.7 | -72.4 | 175.8 | -172.6 | 174.7 | 2.9 | 113 | L41 R42 H43 G47 G48 V49 | L41-R45 WeakPolarHBondContact O-CG 3.41Å; L41-R45 PolarHBondContact O-N 2.97Å; L41-R45 VanDerWaalsContact O-N 3.07Å; R42-R45 PolarHBondContact O-N 3.45Å; H43-R45 VanDerWaalsContact C-N 3.32Å; H43-R45 PolarHBondContact O-N 3.19Å; R45-G47 PolarHBondContact O-N 2.99Å; R45-G48 PolarHBondContact O-N 2.98Å; R45-V49 PolarHBondContact N-O 3.07Å |
| 46 | Q | 95.4 | Very high | 94.4 | Very high | 142 Ų | 142 | 76 Ų | 76 | 66% | 0.664 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.2 | -32.7 | 174.9 | -72.8 | 171 | -23.2 | 0 | 0 | 112 | R42 H43 A44 G48 | R42-Q46 WeakPolarHBondContact O-CG 3.45Å; R42-Q46 PolarHBondContact O-N 3.21Å; H43-Q46 WeakPolarHBondContact O-CB 3.27Å; H43-Q46 PolarHBondContact O-N 3.4Å; H43-Q46 VanDerWaalsContact O-N 3.13Å; A44-Q46 VanDerWaalsContact C-N 3.35Å; A44-Q46 PolarHBondContact O-N 3.01Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 2.88Å |
| 47 | G | 90.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 77 Ų | 77 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 6.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | H43 A44 R45 V49 | H43-G47 PolarHBondContact O-N 3.16Å; A44-G47 CarbonylContact O-C 3.6Å; A44-G47 WeakPolarHBondContact O-CA 3.47Å; A44-G47 PolarHBondContact O-N 2.9Å; A44-G47 VanDerWaalsContact O-N 3.08Å; R45-G47 PolarHBondContact O-N 2.99Å; G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.91Å |
| 48 | G | 93.5 | Very high | 93.9 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 74% | 0.742 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 13.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A44 R45 Q46 | A44-G48 PolarHBondContact O-N 3.45Å; R45-G48 PolarHBondContact O-N 2.98Å; Q46-G48 VanDerWaalsContact C-N 3.27Å; Q46-G48 PolarHBondContact O-N 2.88Å |
| 49 | V | 92.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 77.5 Ų | 77.5 | 27% | 0.273 | 42% | 0.421 | S | S | . | . | trans | -107.1 | 128 | -177.2 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | A44 R45 G47 V51 L60 | A44-V49 CarbonylContact C-O 3.42Å; A44-V49 HydrophobicContact CB-CB 4.47Å; A44-V49 PolarHBondContact O-N 3.34Å; A44-V49 VanDerWaalsContact O-O 3.11Å; R45-V49 PolarHBondContact N-O 3.07Å; G47-V49 VanDerWaalsContact C-N 3.31Å; G47-V49 PolarHBondContact O-N 2.91Å; V49-V51 HydrophobicContact CG1-CG1 3.63Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V49-L60 HydrophobicContact CB-CD2 4.38Å; V49-L60 HydrophobicContact CG1-CD2 3.38Å; V49-L60 HydrophobicContact CG2-CD2 4.06Å | ||
| 50 | S | 92.8 | Very high | 93.3 | Very high | 114 Ų | 114 | 77.7 Ų | 77.7 | 80% | 0.797 | 42% | 0.415 | S | S | * | . | trans | -102 | 103.5 | 174.5 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 51 | V | 94.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 78.1 Ų | 78.1 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | trans | -133.5 | 152.4 | 177.6 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | L36 L41 A44 V49 D56 L57 | L36-V51 HydrophobicContact CD1-CB 4.49Å; L36-V51 HydrophobicContact CD1-CG2 3.93Å; L41-V51 WeakPolarHBondContact CD2-O 3.46Å; A44-V51 HydrophobicContact CB-CG2 3.68Å; V49-V51 HydrophobicContact CG1-CG1 3.63Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V51-D56 HydrophobicContact CB-CB 3.93Å; V51-D56 HydrophobicContact CG1-CB 3.8Å; V51-L57 HydrophobicContact CB-CD2 4.3Å; V51-L57 HydrophobicContact CB-CG 4.11Å; V51-L57 HydrophobicContact CG1-CD2 3.9Å; V51-L57 HydrophobicContact CG1-CG 4Å; V51-L57 HydrophobicContact CG2-CD2 3.85Å; V51-L57 HydrophobicContact CG2-CG 3.93Å | ||
| 52 | K | 95.6 | Very high | 92.9 | Very high | 160 Ų | 160 | 77.2 Ų | 77.2 | 70% | 0.696 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -116.9 | -31.9 | 176.4 | -58.8 | 174.8 | -175.2 | 170.7 | 0 | 111.7 | P35 L36 D56 | P35-K52 CarbonylContact C-O 3.14Å; P35-K52 WeakPolarHBondContact CA-O 3.47Å; L36-K52 PolarHBondContact N-O 3.3Å; K52-D56 WeakPolarHBondContact CA-OD2 3.31Å; K52-D56 WeakPolarHBondContact CB-OD2 3.45Å; K52-D56 PolarHBondContact N-OD2 3.07Å |
| 53 | S | 95.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -131.3 | 168.4 | -169.4 | 84.7 | 0 | 0 | 0 | 0 | 112.1 | L32 G55 D56 L57 | L32-S53 VanDerWaalsContact O-CB 3.23Å; L32-S53 WeakPolarHBondContact O-CB 3.34Å; L32-S53 PolarHBondContact O-OG 2.82Å; S53-G55 PolarHBondContact OG-N 3.39Å; S53-G55 VanDerWaalsContact OG-N 3.14Å; S53-D56 PolarHBondContact N-OD2 3.22Å; S53-D56 PolarHBondContact O-N 3.33Å; S53-D56 VanDerWaalsContact OG-CG 3.26Å; S53-D56 PolarHBondContact OG-N 3.39Å; S53-D56 PolarHBondContact OG-OD1 3.48Å; S53-L57 PolarHBondContact O-N 2.73Å |
| 54 | L | 92.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 170.3 | 178.7 | 60.3 | 0 | 0 | 0 | 110.7 | L30 L32 L57 M58 | L30-L54 HydrophobicContact CD1-CD2 4.45Å; L32-L54 HydrophobicContact CD2-CB 4.37Å; L32-L54 HydrophobicContact CD2-CD2 3.66Å; L32-L54 HydrophobicContact CD2-CG 3.95Å; L32-L54 PolarHBondContact O-N 3.49Å; L32-L54 VanDerWaalsContact O-N 3.09Å; L54-L57 PolarHBondContact O-N 2.74Å; L54-M58 HydrophobicContact CD1-CG 4.3Å; L54-M58 HydrophobicContact CD1-SD 4.49Å; L54-M58 HydrophobicContact CG-CG 4.35Å; L54-M58 HydrophobicContact CG-SD 4.04Å; L54-M58 VanDerWaalsContact O-CG 3.29Å; L54-M58 WeakPolarHBondContact O-CG 3.5Å; L54-M58 PolarHBondContact O-N 2.84Å |
| 55 | G | 92.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L32 S53 L57 M58 E59 | L32-G55 PolarHBondContact O-N 3.35Å; L32-G55 VanDerWaalsContact O-N 3.13Å; S53-G55 PolarHBondContact OG-N 3.39Å; S53-G55 VanDerWaalsContact OG-N 3.14Å; G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.29Å; G55-M58 PolarHBondContact O-N 2.96Å; G55-M58 VanDerWaalsContact O-N 3.07Å; G55-E59 PolarHBondContact O-N 3.39Å |
| 56 | D | 92.8 | Very high | 91.8 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 179.6 | -51.5 | 0.5 | 0 | 0 | 0 | 111.4 | V51 K52 S53 L60 | V51-D56 HydrophobicContact CB-CB 3.93Å; V51-D56 HydrophobicContact CG1-CB 3.8Å; K52-D56 WeakPolarHBondContact CA-OD2 3.31Å; K52-D56 WeakPolarHBondContact CB-OD2 3.45Å; K52-D56 PolarHBondContact N-OD2 3.07Å; S53-D56 PolarHBondContact N-OD2 3.22Å; S53-D56 PolarHBondContact O-N 3.33Å; S53-D56 VanDerWaalsContact OG-CG 3.26Å; S53-D56 PolarHBondContact OG-N 3.39Å; S53-D56 PolarHBondContact OG-OD1 3.48Å; D56-L60 WeakPolarHBondContact O-CB 3.36Å; D56-L60 PolarHBondContact O-N 2.97Å |
| 57 | L | 91.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176.1 | -79.9 | 169.2 | 0 | 0 | 0 | 111.6 | L36 V51 S53 L54 G55 L60 V61 | L36-L57 HydrophobicContact CD1-CD1 3.56Å; L36-L57 HydrophobicContact CD1-CG 4.22Å; L36-L57 HydrophobicContact CD2-CD1 4.28Å; V51-L57 HydrophobicContact CB-CD2 4.3Å; V51-L57 HydrophobicContact CB-CG 4.11Å; V51-L57 HydrophobicContact CG1-CD2 3.9Å; V51-L57 HydrophobicContact CG1-CG 4Å; V51-L57 HydrophobicContact CG2-CD2 3.85Å; V51-L57 HydrophobicContact CG2-CG 3.93Å; S53-L57 PolarHBondContact O-N 2.73Å; L54-L57 PolarHBondContact O-N 2.74Å; G55-L57 VanDerWaalsContact C-N 3.27Å; G55-L57 PolarHBondContact O-N 3.29Å; L57-L60 PolarHBondContact O-N 3.47Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.33Å; L57-V61 PolarHBondContact O-N 3.4Å |
| 58 | M | 90.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 179.8 | -72.6 | 177 | 59.5 | 0 | 0 | 111.8 | P21 L24 L32 L54 G55 L60 V61 F62 | P21-M58 HydrophobicContact CB-CE 4.41Å; L24-M58 HydrophobicContact CB-CE 3.85Å; L24-M58 HydrophobicContact CD1-CE 3.33Å; L24-M58 HydrophobicContact CG-CE 4.24Å; L32-M58 HydrophobicContact CD1-CE 4.11Å; L32-M58 HydrophobicContact CD1-SD 3.65Å; L32-M58 HydrophobicContact CD2-SD 3.79Å; L32-M58 HydrophobicContact CG-SD 4.39Å; L54-M58 HydrophobicContact CD1-CG 4.3Å; L54-M58 HydrophobicContact CD1-SD 4.49Å; L54-M58 HydrophobicContact CG-CG 4.35Å; L54-M58 HydrophobicContact CG-SD 4.04Å; L54-M58 VanDerWaalsContact O-CG 3.29Å; L54-M58 WeakPolarHBondContact O-CG 3.5Å; L54-M58 PolarHBondContact O-N 2.84Å; G55-M58 PolarHBondContact O-N 2.96Å; G55-M58 VanDerWaalsContact O-N 3.07Å; M58-L60 VanDerWaalsContact C-N 3.34Å; M58-L60 PolarHBondContact O-N 3.04Å; M58-V61 PolarHBondContact O-N 3.19Å; M58-F62 HydrophobicContact CB-CE2 4.29Å; M58-F62 HydrophobicContact CE-CE2 4Å; M58-F62 HydrophobicContact CE-CZ 4.48Å; M58-F62 WeakPolarHBondContact O-CD2 3.38Å; M58-F62 WeakPolarHBondContact O-CG 3.39Å; M58-F62 PolarHBondContact O-N 3.06Å |
| 59 | E | 89.5 | Confident | 91 | Very high | 128 Ų | 128 | 69.7 Ų | 69.7 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59 | -46.7 | 174.9 | -73.1 | -176.1 | 178.2 | 0 | 0 | 111.3 | G55 V61 F62 L63 | G55-E59 PolarHBondContact O-N 3.39Å; E59-V61 PolarHBondContact O-N 3Å; E59-F62 PolarHBondContact O-N 2.8Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.38Å |
| 60 | L | 91.4 | Very high | 90.6 | Very high | 78 Ų | 78 | 71 Ų | 71 | 41% | 0.408 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 178.1 | -175.8 | 66 | 0 | 0 | 0 | 112.1 | V49 D56 L57 M58 S64 | V49-L60 HydrophobicContact CB-CD2 4.38Å; V49-L60 HydrophobicContact CG1-CD2 3.38Å; V49-L60 HydrophobicContact CG2-CD2 4.06Å; D56-L60 WeakPolarHBondContact O-CB 3.36Å; D56-L60 PolarHBondContact O-N 2.97Å; L57-L60 PolarHBondContact O-N 3.47Å; M58-L60 VanDerWaalsContact C-N 3.34Å; M58-L60 PolarHBondContact O-N 3.04Å; L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 3.48Å |
| 61 | V | 90.9 | Very high | 90.3 | Very high | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 178.3 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | L57 M58 E59 S64 L65 | L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.33Å; L57-V61 PolarHBondContact O-N 3.4Å; M58-V61 PolarHBondContact O-N 3.19Å; E59-V61 PolarHBondContact O-N 3Å; V61-S64 PolarHBondContact O-N 3.32Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 3.38Å |
| 62 | F | 89.4 | Confident | 89.9 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 9% | 0.092 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.4 | -68.2 | -43.6 | 0 | 0 | 0 | 112.6 | M14 V19 P21 L24 M58 E59 S64 L65 T66 | M14-F62 HydrophobicContact CB-CD1 4.4Å; M14-F62 HydrophobicContact CB-CE1 4.13Å; M14-F62 HydrophobicContact CG-CE1 3.81Å; M14-F62 HydrophobicContact SD-CE1 3.8Å; V19-F62 HydrophobicContact CG1-CE1 4.39Å; V19-F62 HydrophobicContact CG1-CZ 4.14Å; P21-F62 HydrophobicContact CG-CD2 3.68Å; P21-F62 HydrophobicContact CG-CE2 3.83Å; L24-F62 HydrophobicContact CD1-CE2 4.12Å; L24-F62 HydrophobicContact CD1-CZ 3.6Å; M58-F62 HydrophobicContact CB-CE2 4.29Å; M58-F62 HydrophobicContact CE-CE2 4Å; M58-F62 HydrophobicContact CE-CZ 4.48Å; M58-F62 WeakPolarHBondContact O-CD2 3.38Å; M58-F62 WeakPolarHBondContact O-CG 3.39Å; M58-F62 PolarHBondContact O-N 3.06Å; E59-F62 PolarHBondContact O-N 2.8Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 2.97Å; F62-L65 HydrophobicContact CD1-CD1 4.44Å; F62-L65 PolarHBondContact O-N 3.42Å; F62-T66 WeakPolarHBondContact O-CB 3.47Å; F62-T66 VanDerWaalsContact O-CG2 3.31Å; F62-T66 WeakPolarHBondContact O-CG2 3.34Å; F62-T66 PolarHBondContact O-N 2.95Å; F62-T66 PolarHBondContact O-OG1 2.94Å |
| 63 | L | 89.1 | Confident | 89.4 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 172.6 | -175.5 | 64.2 | 0 | 0 | 0 | 110.7 | E59 L65 T66 L67 | E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.14Å; E59-L63 PolarHBondContact O-N 3.38Å; L63-L65 PolarHBondContact O-N 3.31Å; L63-T66 WeakPolarHBondContact CA-OG1 3.42Å; L63-T66 PolarHBondContact O-N 3.5Å; L63-T66 PolarHBondContact O-OG1 2.9Å; L63-T66 VanDerWaalsContact O-OG1 3.14Å; L63-L67 HydrophobicContact CD1-CD1 3.61Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CG-CD1 3.83Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 WeakPolarHBondContact O-CB 3.02Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.29Å |
| 64 | S | 91.2 | Very high | 89 | Confident | 70 Ų | 70 | 75 Ų | 75 | 49% | 0.49 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | L60 V61 F62 S68 | L60-S64 VanDerWaalsContact O-CB 3.28Å; L60-S64 WeakPolarHBondContact O-CB 3.41Å; L60-S64 PolarHBondContact O-N 3.48Å; V61-S64 PolarHBondContact O-N 3.32Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 2.97Å; S64-S68 WeakPolarHBondContact O-CB 3.41Å; S64-S68 PolarHBondContact O-N 3.47Å; S64-S68 VanDerWaalsContact O-N 3.12Å; S64-S68 PolarHBondContact O-OG 3.22Å |
| 65 | L | 90.4 | Very high | 89 | Confident | 26 Ų | 26 | 75.6 Ų | 75.6 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 179.4 | -71.7 | 173.1 | 0 | 0 | 0 | 112.2 | F11 M14 V15 V61 F62 L63 S68 L70 | F11-L65 HydrophobicContact CE2-CD2 3.7Å; F11-L65 HydrophobicContact CZ-CD2 4.15Å; M14-L65 HydrophobicContact CB-CD1 3.92Å; V15-L65 HydrophobicContact CG2-CB 4.38Å; V15-L65 HydrophobicContact CG2-CD2 4.19Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.35Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.27Å; V61-L65 PolarHBondContact O-N 3.38Å; F62-L65 HydrophobicContact CD1-CD1 4.44Å; F62-L65 PolarHBondContact O-N 3.42Å; L63-L65 PolarHBondContact O-N 3.31Å; L65-S68 PolarHBondContact O-N 3.03Å; L65-L70 HydrophobicContact CD2-CD1 4.45Å |
| 66 | T | 85.3 | Confident | 89.2 | Confident | 69 Ų | 69 | 76.1 Ų | 76.1 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73 | -27.9 | -177.9 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | F62 L63 | F62-T66 WeakPolarHBondContact O-CB 3.47Å; F62-T66 VanDerWaalsContact O-CG2 3.31Å; F62-T66 WeakPolarHBondContact O-CG2 3.34Å; F62-T66 PolarHBondContact O-N 2.95Å; F62-T66 PolarHBondContact O-OG1 2.94Å; L63-T66 WeakPolarHBondContact CA-OG1 3.42Å; L63-T66 PolarHBondContact O-N 3.5Å; L63-T66 PolarHBondContact O-OG1 2.9Å; L63-T66 VanDerWaalsContact O-OG1 3.14Å |
| 67 | L | 88.3 | Confident | 89.3 | Confident | 136 Ų | 136 | 79.3 Ų | 79.3 | 71% | 0.712 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -90 | -8.2 | 176 | -64.5 | -178.6 | 0 | 0 | 0 | 113.7 | L63 | L63-L67 HydrophobicContact CD1-CD1 3.61Å; L63-L67 HydrophobicContact CD1-CG 3.99Å; L63-L67 HydrophobicContact CG-CD1 3.83Å; L63-L67 HydrophobicContact CG-CG 4.42Å; L63-L67 WeakPolarHBondContact O-CB 3.02Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.34Å; L63-L67 PolarHBondContact O-N 3.29Å |
| 68 | S | 88.1 | Confident | 89.4 | Confident | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -80.6 | 132.6 | 177.8 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | S64 L65 L70 | S64-S68 WeakPolarHBondContact O-CB 3.41Å; S64-S68 PolarHBondContact O-N 3.47Å; S64-S68 VanDerWaalsContact O-N 3.12Å; S64-S68 PolarHBondContact O-OG 3.22Å; L65-S68 PolarHBondContact O-N 3.03Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 2.66Å |
| 69 | D | 86.7 | Confident | 89.7 | Confident | 167 Ų | 167 | 81.9 Ų | 81.9 | 89% | 0.893 | 46% | 0.458 | S | S | * | . | trans | -80.8 | 81.4 | 169.7 | -170.2 | 20.9 | 0 | 0 | 0 | 109.5 | ||||
| 70 | L | 86 | Confident | 90 | Very high | 72 Ų | 72 | 81.8 Ų | 81.8 | 38% | 0.377 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -92 | 130.5 | -177.1 | -66 | 173.3 | 0 | 0 | 0 | 110.8 | F11 V15 L65 S68 | F11-L70 HydrophobicContact CE1-CD1 4.3Å; F11-L70 HydrophobicContact CZ-CD1 3.82Å; V15-L70 HydrophobicContact CG1-CD1 4.19Å; V15-L70 HydrophobicContact CG2-CD1 3.69Å; L65-L70 HydrophobicContact CD2-CD1 4.45Å; S68-L70 VanDerWaalsContact C-N 3.32Å; S68-L70 PolarHBondContact O-N 2.66Å |
| 71 | P | 86.3 | Confident | 90.3 | Very high | 103 Ų | 103 | 82.2 Ų | 82.2 | 67% | 0.669 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 156.7 | 174.4 | 29.6 | -34.9 | 0 | 0 | 0 | 110.9 | I73 | P71-I73 PolarHBondContact O-N 3.17Š|
| 72 | A | 84.8 | Confident | 90.6 | Very high | 101 Ų | 101 | 82 Ų | 82 | 84% | 0.835 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 122 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 73 | I | 86.4 | Confident | 90.9 | Very high | 65 Ų | 65 | 90.4 Ų | 90.4 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | trans | -96.7 | 111.4 | 177.1 | -54.6 | 173.6 | 0 | 0 | 0 | 108.1 | K8 F11 P71 L76 | K8-I73 WeakPolarHBondContact CE-O 3.02Å; K8-I73 PolarHBondContact NZ-O 3.38Å; F11-I73 HydrophobicContact CE1-CD1 4.12Å; P71-I73 PolarHBondContact O-N 3.17Å; I73-L76 HydrophobicContact CG2-CD2 3.87Å | ||
| 74 | D | 86.9 | Confident | 91.3 | Very high | 108 Ų | 108 | 94.2 Ų | 94.2 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | trans | -111.7 | -14.6 | 178 | 60 | 5.5 | 0 | 0 | 0 | 113.1 | F96 | D74-F96 WeakPolarHBondContact O-CB 3.45Å; D74-F96 PolarHBondContact O-N 2.86Å | ||
| 75 | T | 92.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 94.8 Ų | 94.8 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122.2 | -177.1 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | I93 | T75-I93 HydrophobicContact CG2-CG2 3.53Å |
| 76 | L | 94.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 97.1 Ų | 97.1 | 11% | 0.11 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.9 | -180 | -50.7 | 172.4 | 0 | 0 | 0 | 109.4 | V4 K8 I73 V94 F96 | V4-L76 HydrophobicContact CG1-CD1 4.36Å; V4-L76 HydrophobicContact CG2-CB 4.28Å; V4-L76 HydrophobicContact CG2-CD1 4.07Å; K8-L76 HydrophobicContact CB-CD1 3.82Å; K8-L76 HydrophobicContact CB-CD2 4.11Å; K8-L76 HydrophobicContact CG-CD1 4.11Å; K8-L76 HydrophobicContact CG-CD2 3.69Å; K8-L76 HydrophobicContact CG-CG 4.42Å; I73-L76 HydrophobicContact CG2-CD2 3.87Å; L76-V94 HydrophobicContact CB-CB 4.22Å; L76-V94 PolarHBondContact N-O 3.39Å; L76-V94 PolarHBondContact O-N 3.33Å; L76-F96 HydrophobicContact CD1-CB 4.33Å; L76-F96 HydrophobicContact CD1-CD2 4.41Å; L76-F96 HydrophobicContact CG-CB 4.49Å |
| 77 | K | 94.6 | Very high | 92.5 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.7 | 176.2 | -172.3 | 178.1 | 74.8 | 161.4 | 0 | 109.6 | E79 T91 E92 I93 | K77-E79 HydrophobicContact CD-CG 4.42Å; K77-E79 WeakPolarHBondContact CE-OE1 3.49Å; K77-E79 HydrophobicContact CG-CG 4.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.93Å; K77-T91 HydrophobicContact CD-CG2 3.68Å; K77-T91 HydrophobicContact CG-CG2 3.5Å; K77-E92 WeakPolarHBondContact CA-O 3.42Å; K77-I93 HydrophobicContact CB-CD1 4.15Å; K77-I93 HydrophobicContact CD-CD1 4.26Å; K77-I93 HydrophobicContact CG-CD1 3.88Å |
| 78 | L | 94.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 95.7 Ų | 95.7 | 23% | 0.23 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.8 | 170.4 | -70.8 | 172.4 | 0 | 0 | 0 | 108.9 | Y1 V4 T91 E92 V94 | Y1-L78 HydrophobicContact CD1-CD1 3.77Å; Y1-L78 HydrophobicContact CE1-CD1 4.24Å; V4-L78 HydrophobicContact CB-CD2 3.9Å; V4-L78 HydrophobicContact CB-CG 4.43Å; V4-L78 HydrophobicContact CG1-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD2 4.23Å; V4-L78 HydrophobicContact CG1-CG 4.21Å; V4-L78 HydrophobicContact CG2-CD2 3.78Å; V4-L78 HydrophobicContact CG2-CG 4.36Å; L78-T91 CarbonylContact O-C 3.51Å; L78-T91 WeakPolarHBondContact O-CA 3.46Å; L78-T91 WeakPolarHBondContact O-CG2 3.42Å; L78-E92 HydrophobicContact CB-CB 4.23Å; L78-E92 PolarHBondContact N-O 3.14Å; L78-E92 PolarHBondContact O-N 3.13Å; L78-V94 HydrophobicContact CD1-CG2 4.11Å |
| 79 | E | 95.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 98.9 Ų | 98.9 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125 | 173.4 | -69.8 | 177.1 | 148.9 | 0 | 0 | 109 | K77 I81 T91 | K77-E79 HydrophobicContact CD-CG 4.42Å; K77-E79 WeakPolarHBondContact CE-OE1 3.49Å; K77-E79 HydrophobicContact CG-CG 4.39Å; K77-E79 IonicContact NZ-OE1 2.63Å; K77-E79 PolarHBondContact NZ-OE1 2.93Å; E79-I81 HydrophobicContact CB-CD1 4.48Å; E79-I81 HydrophobicContact CB-CG1 4.3Å; E79-T91 HydrophobicContact CG-CG2 4.22Å |
| 80 | Y | 95.6 | Very high | 93.9 | Very high | 126 Ų | 126 | 92.2 Ų | 92.2 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.1 | 173.2 | -62.5 | -87.5 | 0 | 0 | 0 | 107.5 | L89 G90 E92 | Y80-L89 WeakPolarHBondContact O-CB 3.32Å; Y80-L89 PolarHBondContact O-N 3.25Å; Y80-G90 PolarHBondContact N-O 2.96Å; Y80-E92 HydrophobicContact CE2-CG 3.93Å |
| 81 | I | 97.1 | Very high | 94.4 | Very high | 88 Ų | 88 | 91.9 Ų | 91.9 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.3 | -174.1 | -57.8 | 177.1 | 0 | 0 | 0 | 109.1 | E79 Q83 A86 | E79-I81 HydrophobicContact CB-CD1 4.48Å; E79-I81 HydrophobicContact CB-CG1 4.3Å; I81-Q83 PolarHBondContact O-N 3.21Å; I81-A86 HydrophobicContact CG2-CB 4.49Å |
| 82 | H | 97.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 90.8 Ų | 90.8 | 32% | 0.319 | 49% | 0.49 | S | S | . | . | trans | -66.8 | 125.2 | 174.2 | -171.5 | -105.2 | 0 | 0 | 0 | 110.1 | E84 T85 A86 T87 L89 | H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 IonicContact CE1-OE2 2.91Å; H82-E84 PolarHBondContact O-N 2.63Å; H82-T85 WeakPolarHBondContact CB-OG1 3.35Å; H82-T85 PolarHBondContact ND1-N 3.21Å; H82-T85 PolarHBondContact ND1-OG1 3.07Å; H82-A86 VanDerWaalsContact O-CA 3.27Å; H82-A86 WeakPolarHBondContact O-CA 3.27Å; H82-A86 PolarHBondContact O-N 3.23Å; H82-T87 WeakPolarHBondContact CB-OG1 3.4Å; H82-T87 PolarHBondContact N-O 3.48Å; H82-L89 HydrophobicContact CB-CD1 4.14Å; H82-L89 HydrophobicContact CB-CD2 4.04Å; H82-L89 HydrophobicContact CB-CG 4.09Å | ||
| 83 | Q | 96.4 | Very high | 95.4 | Very high | 199 Ų | 199 | 91.2 Ų | 91.2 | 93% | 0.93 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -34.7 | -168.4 | -67.8 | -177.1 | -31.3 | 0 | 0 | 113.8 | I81 | I81-Q83 PolarHBondContact O-N 3.21Š|
| 84 | E | 97.3 | Very high | 95.8 | Very high | 176 Ų | 176 | 88.5 Ų | 88.5 | 82% | 0.822 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -40.4 | -175.7 | -61.2 | 179.1 | 171.1 | 0 | 0 | 112.9 | H82 | H82-E84 VanDerWaalsContact C-N 3.34Å; H82-E84 IonicContact CE1-OE2 2.91Å; H82-E84 PolarHBondContact O-N 2.63Å |
| 85 | T | 97.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 87.1 Ų | 87.1 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -7.5 | -171.3 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | H82 T87 | H82-T85 WeakPolarHBondContact CB-OG1 3.35Å; H82-T85 PolarHBondContact ND1-N 3.21Å; H82-T85 PolarHBondContact ND1-OG1 3.07Å; T85-T87 PolarHBondContact O-N 2.86Å; T85-T87 VanDerWaalsContact O-N 3.07Å; T85-T87 PolarHBondContact OG1-OG1 3.41Å |
| 86 | A | 96.4 | Very high | 96.3 | Very high | 76 Ų | 76 | 84.8 Ų | 84.8 | 63% | 0.628 | 45% | 0.45 | S | S | * | . | trans | 54.6 | 20.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I81 H82 | I81-A86 HydrophobicContact CG2-CB 4.49Å; H82-A86 VanDerWaalsContact O-CA 3.27Å; H82-A86 WeakPolarHBondContact O-CA 3.27Å; H82-A86 PolarHBondContact O-N 3.23Å | ||
| 87 | T | 97.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 88.4 Ų | 88.4 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | trans | -80.5 | 138.2 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 111 | H82 T85 L89 | H82-T87 WeakPolarHBondContact CB-OG1 3.4Å; H82-T87 PolarHBondContact N-O 3.48Å; T85-T87 PolarHBondContact O-N 2.86Å; T85-T87 VanDerWaalsContact O-N 3.07Å; T85-T87 PolarHBondContact OG1-OG1 3.41Å; T87-L89 PolarHBondContact O-N 3.47Å | ||
| 88 | I | 97.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 86.5 Ų | 86.5 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 122.4 | 175.1 | -58 | 172.6 | 0 | 0 | 0 | 109.1 | ||
| 89 | L | 97.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -30.4 | 176.6 | -60.3 | 176.2 | 0 | 0 | 0 | 111.9 | Y80 H82 T87 | Y80-L89 WeakPolarHBondContact O-CB 3.32Å; Y80-L89 PolarHBondContact O-N 3.25Å; H82-L89 HydrophobicContact CB-CD1 4.14Å; H82-L89 HydrophobicContact CB-CD2 4.04Å; H82-L89 HydrophobicContact CB-CG 4.09Å; T87-L89 PolarHBondContact O-N 3.47Å |
| 90 | G | 97.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 93.1 Ų | 93.1 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | 164.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y80 | Y80-G90 PolarHBondContact N-O 2.96Å |
| 91 | T | 96.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 87.3 Ų | 87.3 | 40% | 0.399 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.4 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | K77 L78 E79 | K77-T91 HydrophobicContact CD-CG2 3.68Å; K77-T91 HydrophobicContact CG-CG2 3.5Å; L78-T91 CarbonylContact O-C 3.51Å; L78-T91 WeakPolarHBondContact O-CA 3.46Å; L78-T91 WeakPolarHBondContact O-CG2 3.42Å; E79-T91 HydrophobicContact CG-CG2 4.22Å |
| 92 | E | 95.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 87 Ų | 87 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.1 | 177.4 | -67.7 | -71 | 142.3 | 0 | 0 | 109.5 | Y1 K77 L78 Y80 | Y1-E92 HydrophobicContact CE1-CB 4.08Å; Y1-E92 HydrophobicContact CE1-CG 4.33Å; Y1-E92 PolarHBondContact OH-OE2 3.09Å; K77-E92 WeakPolarHBondContact CA-O 3.42Å; L78-E92 HydrophobicContact CB-CB 4.23Å; L78-E92 PolarHBondContact N-O 3.14Å; L78-E92 PolarHBondContact O-N 3.13Å; Y80-E92 HydrophobicContact CE2-CG 3.93Å |
| 93 | I | 96.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 87 Ų | 87 | 56% | 0.564 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.9 | 173.9 | -57.2 | -62.5 | 0 | 0 | 0 | 108.5 | T75 K77 | T75-I93 HydrophobicContact CG2-CG2 3.53Å; K77-I93 HydrophobicContact CB-CD1 4.15Å; K77-I93 HydrophobicContact CD-CD1 4.26Å; K77-I93 HydrophobicContact CG-CD1 3.88Å |
| 94 | V | 95.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.055 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.9 | -175.9 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | Y1 V4 L76 L78 | Y1-V94 HydrophobicContact CD1-CG2 3.32Å; Y1-V94 HydrophobicContact CD2-CG2 4.41Å; Y1-V94 HydrophobicContact CE1-CG2 3.84Å; Y1-V94 HydrophobicContact CG-CG1 4.08Å; Y1-V94 HydrophobicContact CG-CG2 3.62Å; V4-V94 HydrophobicContact CG1-CB 4.47Å; V4-V94 HydrophobicContact CG1-CG1 4.22Å; V4-V94 HydrophobicContact CG1-CG2 4.31Å; L76-V94 HydrophobicContact CB-CB 4.22Å; L76-V94 PolarHBondContact N-O 3.39Å; L76-V94 PolarHBondContact O-N 3.33Å; L78-V94 HydrophobicContact CD1-CG2 4.11Å |
| 95 | A | 95.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 65% | 0.653 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 135.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 96 | F | 95.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 77.4 Ų | 77.4 | 13% | 0.132 | 42% | 0.419 | C | S | . | . | trans | -90.6 | 119.1 | 175.5 | 175.6 | -99.9 | 0 | 0 | 0 | 110.7 | S5 K8 Y9 D74 L76 E98 V101 | S5-F96 VanDerWaalsContact O-CE2 3.31Å; S5-F96 WeakPolarHBondContact O-CE2 3.29Å; K8-F96 HydrophobicContact CB-CD2 3.8Å; K8-F96 HydrophobicContact CB-CE2 3.88Å; K8-F96 HydrophobicContact CD-CD2 4.32Å; K8-F96 HydrophobicContact CD-CE1 4.4Å; K8-F96 HydrophobicContact CD-CE2 4.19Å; K8-F96 HydrophobicContact CD-CG 4.49Å; K8-F96 HydrophobicContact CD-CZ 4.22Å; K8-F96 HydrophobicContact CG-CD2 3.79Å; K8-F96 HydrophobicContact CG-CE2 4.04Å; K8-F96 HydrophobicContact CG-CG 4.11Å; K8-F96 VanDerWaalsContact NZ-CD1 3.31Å; K8-F96 VanDerWaalsContact NZ-CE1 3.28Å; Y9-F96 HydrophobicContact CD2-CZ 4.44Å; D74-F96 WeakPolarHBondContact O-CB 3.45Å; D74-F96 PolarHBondContact O-N 2.86Å; L76-F96 HydrophobicContact CD1-CB 4.33Å; L76-F96 HydrophobicContact CD1-CD2 4.41Å; L76-F96 HydrophobicContact CG-CB 4.49Å; F96-E98 HydrophobicContact CE1-CB 4.01Å; F96-E98 HydrophobicContact CZ-CB 4.06Å; F96-V101 HydrophobicContact CE2-CG2 4.14Å | ||
| 97 | E | 94.8 | Very high | 96.2 | Very high | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | trans | -123.9 | 108.4 | 172.4 | 178.1 | 51.4 | -111.7 | 0 | 0 | 110.1 | K99 E100 V101 | E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 3.25Å; E97-K99 PolarHBondContact OE1-N 3.42Å; E97-E100 HydrophobicContact CB-CB 4.14Å; E97-E100 HydrophobicContact CG-CB 3.99Å; E97-E100 PolarHBondContact O-N 2.86Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 3.38Å | ||
| 98 | E | 94.4 | Very high | 96 | Very high | 81 Ų | 81 | 79 Ų | 79 | 38% | 0.379 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | -174 | -177.5 | 179.9 | 153 | 0 | 0 | 112.2 | Y9 F96 E100 V101 K102 | Y9-E98 HydrophobicContact CD2-CG 3.84Å; Y9-E98 HydrophobicContact CE2-CG 3.77Å; F96-E98 HydrophobicContact CE1-CB 4.01Å; F96-E98 HydrophobicContact CZ-CB 4.06Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.38Å; E98-V101 PolarHBondContact O-N 3.34Å; E98-K102 HydrophobicContact CG-CD 4.17Å; E98-K102 HydrophobicContact CG-CG 4.47Å; E98-K102 PolarHBondContact O-N 3.04Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.63Å; E98-K102 PolarHBondContact OE1-NZ 3.13Å |
| 99 | K | 95.9 | Very high | 95.9 | Very high | 168 Ų | 168 | 77.6 Ų | 77.6 | 73% | 0.73 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | -178.9 | -68.8 | -179.8 | -178.2 | 173.6 | 0 | 111.5 | E97 K102 S103 | E97-K99 VanDerWaalsContact C-N 3.29Å; E97-K99 PolarHBondContact O-N 3.25Å; E97-K99 PolarHBondContact OE1-N 3.42Å; K99-K102 PolarHBondContact O-N 3.47Å; K99-S103 WeakPolarHBondContact O-CB 3.5Å; K99-S103 PolarHBondContact O-N 2.92Å |
| 100 | E | 95.1 | Very high | 95.9 | Very high | 101 Ų | 101 | 73.1 Ų | 73.1 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 178.4 | -167.1 | -167 | 147.8 | 0 | 0 | 110.9 | E97 E98 S103 K104 | E97-E100 HydrophobicContact CB-CB 4.14Å; E97-E100 HydrophobicContact CG-CB 3.99Å; E97-E100 PolarHBondContact O-N 2.86Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.38Å; E100-S103 PolarHBondContact O-N 2.93Å; E100-K104 HydrophobicContact CG-CD 4.41Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.49Å; E100-K104 WeakPolarHBondContact OE1-CE 3.34Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.46Å |
| 101 | V | 95.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | F2 L6 F96 E97 E98 S103 K104 V105 | F2-V101 HydrophobicContact CE2-CG1 4.26Å; L6-V101 HydrophobicContact CB-CG1 4.4Å; L6-V101 HydrophobicContact CD1-CG1 4.33Å; F96-V101 HydrophobicContact CE2-CG2 4.14Å; E97-V101 WeakPolarHBondContact O-CG2 3.23Å; E97-V101 PolarHBondContact O-N 3.38Å; E98-V101 PolarHBondContact O-N 3.34Å; V101-S103 PolarHBondContact O-N 3.07Å; V101-K104 PolarHBondContact O-N 3.25Å; V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.46Å |
| 102 | K | 96.6 | Very high | 95.9 | Very high | 80 Ų | 80 | 83.3 Ų | 83.3 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 178.5 | -79.4 | -179.2 | 167.4 | 169.7 | 0 | 112.3 | Y9 E98 K99 K104 V105 Q106 | Y9-K102 HydrophobicContact CE2-CD 4.47Å; Y9-K102 VanDerWaalsContact CE2-CE 3.45Å; Y9-K102 HydrophobicContact CE2-CG 4.41Å; Y9-K102 VanDerWaalsContact CZ-CE 3.48Å; Y9-K102 WeakPolarHBondContact OH-CE 3.47Å; Y9-K102 PolarHBondContact OH-NZ 3.42Å; E98-K102 HydrophobicContact CG-CD 4.17Å; E98-K102 HydrophobicContact CG-CG 4.47Å; E98-K102 PolarHBondContact O-N 3.04Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.63Å; E98-K102 PolarHBondContact OE1-NZ 3.13Å; K99-K102 PolarHBondContact O-N 3.47Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 3.01Å; K102-V105 PolarHBondContact O-N 2.85Å; K102-Q106 WeakPolarHBondContact O-CB 3.33Å; K102-Q106 VanDerWaalsContact O-CG 3.31Å; K102-Q106 WeakPolarHBondContact O-CG 3.26Å; K102-Q106 PolarHBondContact O-N 2.94Å |
| 103 | S | 96.9 | Very high | 95.9 | Very high | 70 Ų | 70 | 85.3 Ų | 85.3 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | K99 E100 V101 Q106 H107 | K99-S103 WeakPolarHBondContact O-CB 3.5Å; K99-S103 PolarHBondContact O-N 2.92Å; E100-S103 PolarHBondContact O-N 2.93Å; V101-S103 PolarHBondContact O-N 3.07Å; S103-Q106 PolarHBondContact O-N 3.45Å; S103-H107 WeakPolarHBondContact O-CB 3.08Å; S103-H107 PolarHBondContact O-N 3.42Å |
| 104 | K | 95.6 | Very high | 96 | Very high | 70 Ų | 70 | 83.1 Ų | 83.1 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.7 | -76.2 | 177.7 | 173.3 | 171.6 | 0 | 112.7 | F2 E100 V101 K102 Q106 H107 Y108 | F2-K104 HydrophobicContact CB-CD 4.38Å; F2-K104 HydrophobicContact CD2-CB 3.58Å; F2-K104 HydrophobicContact CD2-CD 3.8Å; F2-K104 HydrophobicContact CD2-CG 4.31Å; F2-K104 HydrophobicContact CE2-CB 3.43Å; F2-K104 VanDerWaalsContact CE2-CB 3.43Å; F2-K104 HydrophobicContact CG-CB 4.49Å; F2-K104 HydrophobicContact CG-CD 4.36Å; F2-K104 HydrophobicContact CZ-CB 4.24Å; E100-K104 HydrophobicContact CG-CD 4.41Å; E100-K104 WeakPolarHBondContact O-CB 3.42Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.49Å; E100-K104 WeakPolarHBondContact OE1-CE 3.34Å; E100-K104 IonicContact OE1-NZ 2.64Å; E100-K104 PolarHBondContact OE1-NZ 3.46Å; V101-K104 PolarHBondContact O-N 3.25Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 3.01Å; K104-Q106 PolarHBondContact O-N 3.24Å; K104-H107 PolarHBondContact O-N 3.39Å; K104-Y108 HydrophobicContact CB-CE2 4.25Å; K104-Y108 WeakPolarHBondContact O-CD2 3.31Å; K104-Y108 PolarHBondContact O-N 2.69Å |
| 105 | V | 96.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 89.8 Ų | 89.8 | 29% | 0.291 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | F2 L6 V101 K102 H107 Y108 V109 | F2-V105 HydrophobicContact CE2-CG2 3.81Å; F2-V105 HydrophobicContact CZ-CB 4.48Å; F2-V105 HydrophobicContact CZ-CG2 3.59Å; L6-V105 HydrophobicContact CD1-CG2 3.84Å; V101-V105 HydrophobicContact CG1-CG2 4.41Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.46Å; K102-V105 PolarHBondContact O-N 2.85Å; V105-H107 VanDerWaalsContact C-N 3.31Å; V105-H107 PolarHBondContact O-N 3.5Å; V105-Y108 PolarHBondContact O-N 3.07Å; V105-V109 HydrophobicContact CG1-CG2 4.04Å; V105-V109 WeakPolarHBondContact O-CB 3.5Å; V105-V109 VanDerWaalsContact O-CG2 3.26Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.35Å |
| 106 | Q | 96.9 | Very high | 96.1 | Very high | 138 Ų | 138 | 88.7 Ų | 88.7 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59 | -43.9 | 179.5 | -73.8 | 172.6 | -16 | 0 | 0 | 111.7 | K102 S103 K104 A110 | K102-Q106 WeakPolarHBondContact O-CB 3.33Å; K102-Q106 VanDerWaalsContact O-CG 3.31Å; K102-Q106 WeakPolarHBondContact O-CG 3.26Å; K102-Q106 PolarHBondContact O-N 2.94Å; S103-Q106 PolarHBondContact O-N 3.45Å; K104-Q106 PolarHBondContact O-N 3.24Å; Q106-A110 VanDerWaalsContact O-CB 3.23Å; Q106-A110 WeakPolarHBondContact O-CB 3.23Å; Q106-A110 PolarHBondContact O-N 3.49Å |
| 107 | H | 95.8 | Very high | 96 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 32% | 0.315 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 178.2 | 177.2 | 87.4 | 0 | 0 | 0 | 112.8 | S103 K104 V105 Y111 R116 Q119 | S103-H107 WeakPolarHBondContact O-CB 3.08Å; S103-H107 PolarHBondContact O-N 3.42Å; K104-H107 PolarHBondContact O-N 3.39Å; V105-H107 VanDerWaalsContact C-N 3.31Å; V105-H107 PolarHBondContact O-N 3.5Å; H107-Y111 PolarHBondContact O-N 3.32Å; H107-R116 VanDerWaalsContact CE1-CZ 3.47Å; H107-R116 PolarHBondContact CE1-NE 3.39Å; H107-R116 PolarHBondContact CE1-NH2 2.87Å; H107-R116 PolarHBondContact NE2-NH2 3.32Å; H107-Q119 PolarHBondContact CE1-OE1 2.89Å; H107-Q119 VanDerWaalsContact CE1-OE1 3.24Å |
| 108 | Y | 94.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 93.6 Ų | 93.6 | 44% | 0.443 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.3 | -42.3 | 179.5 | -66.5 | -51.4 | 0 | 0 | 0 | 112.4 | F2 K104 V105 A110 Y111 W112 | F2-Y108 HydrophobicContact CD1-CD2 4.44Å; F2-Y108 HydrophobicContact CD1-CE2 4.05Å; F2-Y108 AromaticContact CE1-CD2 3.91Å; F2-Y108 HydrophobicContact CE1-CD2 3.91Å; F2-Y108 AromaticContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CE1-CE2 3.99Å; F2-Y108 HydrophobicContact CG-CE2 4.45Å; F2-Y108 HydrophobicContact CZ-CD2 4.09Å; F2-Y108 HydrophobicContact CZ-CE2 4.34Å; K104-Y108 HydrophobicContact CB-CE2 4.25Å; K104-Y108 WeakPolarHBondContact O-CD2 3.31Å; K104-Y108 PolarHBondContact O-N 2.69Å; V105-Y108 PolarHBondContact O-N 3.07Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.91Å; Y108-Y111 WeakPolarHBondContact O-CB 3.13Å; Y108-Y111 PolarHBondContact O-N 3.22Å; Y108-W112 PolarHBondContact O-N 3.15Å; Y108-W112 VanDerWaalsContact O-N 3.13Å |
| 109 | V | 96 | Very high | 95.7 | Very high | 73 Ų | 73 | 95.9 Ų | 95.9 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111 | V105 Y111 W112 M113 | V105-V109 HydrophobicContact CG1-CG2 4.04Å; V105-V109 WeakPolarHBondContact O-CB 3.5Å; V105-V109 VanDerWaalsContact O-CG2 3.26Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 3.35Å; V109-Y111 VanDerWaalsContact C-N 3.26Å; V109-Y111 PolarHBondContact O-N 2.9Å; V109-W112 PolarHBondContact O-N 3.32Å; V109-M113 HydrophobicContact CG1-CG 3.76Å; V109-M113 WeakPolarHBondContact O-CB 3.48Å; V109-M113 VanDerWaalsContact O-CG 3.24Å; V109-M113 WeakPolarHBondContact O-CG 3.41Å; V109-M113 PolarHBondContact O-N 3.32Å |
| 110 | A | 97.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 89.4 Ų | 89.4 | 21% | 0.207 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q106 Y108 G114 H115 R116 | Q106-A110 VanDerWaalsContact O-CB 3.23Å; Q106-A110 WeakPolarHBondContact O-CB 3.23Å; Q106-A110 PolarHBondContact O-N 3.49Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.91Å; A110-G114 PolarHBondContact O-N 3.18Å; A110-H115 HydrophobicContact CB-CB 4.22Å; A110-H115 CarbonylContact O-C 3.59Å; A110-H115 WeakPolarHBondContact O-CA 3.37Å; A110-H115 PolarHBondContact O-N 3Å; A110-R116 HydrophobicContact CB-CB 4.02Å; A110-R116 PolarHBondContact O-N 3.22Å |
| 111 | Y | 96.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 87.2 Ų | 87.2 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 173.5 | 174.8 | -108.5 | 0 | 0 | 0 | 111.6 | H107 Y108 V109 M113 G114 P118 | H107-Y111 PolarHBondContact O-N 3.32Å; Y108-Y111 WeakPolarHBondContact O-CB 3.13Å; Y108-Y111 PolarHBondContact O-N 3.22Å; V109-Y111 VanDerWaalsContact C-N 3.26Å; V109-Y111 PolarHBondContact O-N 2.9Å; Y111-M113 VanDerWaalsContact C-N 3.26Å; Y111-M113 PolarHBondContact O-N 3.01Å; Y111-G114 PolarHBondContact O-N 3.03Å; Y111-P118 HydrophobicContact CD2-CB 4.49Å; Y111-P118 HydrophobicContact CE2-CB 3.66Å; Y111-P118 HydrophobicContact CE2-CG 4.41Å |
| 112 | W | 95.8 | Very high | 94.7 | Very high | 206 Ų | 206 | 92.6 Ų | 92.6 | 78% | 0.78 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.5 | -29.6 | -179.1 | -71.7 | 116.3 | 0 | 0 | 0 | 114.2 | Y108 V109 G114 | Y108-W112 PolarHBondContact O-N 3.15Å; Y108-W112 VanDerWaalsContact O-N 3.13Å; V109-W112 PolarHBondContact O-N 3.32Å; W112-G114 VanDerWaalsContact C-N 3.31Å |
| 113 | M | 97.1 | Very high | 94.2 | Very high | 121 Ų | 121 | 93.4 Ų | 93.4 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -0.8 | 176.4 | -64.2 | -63.1 | -65 | 0 | 0 | 113.1 | V109 Y111 H115 | V109-M113 HydrophobicContact CG1-CG 3.76Å; V109-M113 WeakPolarHBondContact O-CB 3.48Å; V109-M113 VanDerWaalsContact O-CG 3.24Å; V109-M113 WeakPolarHBondContact O-CG 3.41Å; V109-M113 PolarHBondContact O-N 3.32Å; Y111-M113 VanDerWaalsContact C-N 3.26Å; Y111-M113 PolarHBondContact O-N 3.01Å; M113-H115 VanDerWaalsContact C-N 3.25Å; M113-H115 PolarHBondContact O-N 2.63Å |
| 114 | G | 97.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 97.2 Ų | 97.2 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 14.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A110 Y111 W112 R116 | A110-G114 PolarHBondContact O-N 3.18Å; Y111-G114 PolarHBondContact O-N 3.03Å; W112-G114 VanDerWaalsContact C-N 3.31Å; G114-R116 VanDerWaalsContact C-N 3.29Å |
| 115 | H | 97.8 | Very high | 93.6 | Very high | 150 Ų | 150 | 97 Ų | 97 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -84.2 | -3.7 | 175.2 | -56.6 | 155.7 | 0 | 0 | 0 | 113 | A110 M113 | A110-H115 HydrophobicContact CB-CB 4.22Å; A110-H115 CarbonylContact O-C 3.59Å; A110-H115 WeakPolarHBondContact O-CA 3.37Å; A110-H115 PolarHBondContact O-N 3Å; M113-H115 VanDerWaalsContact C-N 3.25Å; M113-H115 PolarHBondContact O-N 2.63Å |
| 116 | R | 95.9 | Very high | 93.3 | Very high | 56 Ų | 56 | 95.6 Ų | 95.6 | 21% | 0.211 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -145.8 | 137.9 | 179 | -171 | -174.4 | 72.1 | 82.9 | -21.5 | 110.2 | H107 A110 G114 | H107-R116 VanDerWaalsContact CE1-CZ 3.47Å; H107-R116 PolarHBondContact CE1-NE 3.39Å; H107-R116 PolarHBondContact CE1-NH2 2.87Å; H107-R116 PolarHBondContact NE2-NH2 3.32Å; A110-R116 HydrophobicContact CB-CB 4.02Å; A110-R116 PolarHBondContact O-N 3.22Å; G114-R116 VanDerWaalsContact C-N 3.29Å |
| 117 | D | 93.8 | Very high | 93 | Very high | 134 Ų | 134 | 95.8 Ų | 95.8 | 72% | 0.717 | 49% | 0.488 | S | S | * | . | trans | -63.2 | 154.2 | 171.3 | -67.7 | -45.7 | 0 | 0 | 0 | 112.3 | ||||
| 118 | P | 90.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 97.2 Ų | 97.2 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | trans | -56.8 | 141.3 | 171.5 | 23.2 | -32.2 | 0 | 0 | 0 | 111.4 | Y111 | Y111-P118 HydrophobicContact CD2-CB 4.49Å; Y111-P118 HydrophobicContact CE2-CB 3.66Å; Y111-P118 HydrophobicContact CE2-CG 4.41Å | ||
| 119 | Q | 89.9 | Confident | 92.6 | Very high | 130 Ų | 130 | 92.9 Ų | 92.9 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | trans | -114.1 | 147.1 | 168.7 | -83.1 | 166 | 3.7 | 0 | 0 | 108.7 | H107 | H107-Q119 PolarHBondContact CE1-OE1 2.89Å; H107-Q119 VanDerWaalsContact CE1-OE1 3.24Å | ||
| 120 | G | 88.9 | Confident | 92.2 | Very high | 32 Ų | 32 | 97 Ų | 97 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -67 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 121 | V | 89.5 | Confident | 92 | Very high | 54 Ų | 54 | 101.5 Ų | 101.5 | 33% | 0.327 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 157.2 | 175.8 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | E125 W140 | V121-E125 HydrophobicContact CB-CB 4.09Å; V121-W140 HydrophobicContact CG2-CH2 3.68Å; V121-W140 HydrophobicContact CG2-CZ2 4.37Å; V121-W140 HydrophobicContact CG2-CZ3 3.86Å; V121-W140 WeakPolarHBondContact O-CH2 3.3Å; V121-W140 WeakPolarHBondContact O-CZ2 3.49Å |
| 122 | D | 88.5 | Confident | 91.8 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 151.9 | 166.6 | -62.4 | -40.7 | 0 | 0 | 0 | 109.9 | E124 E125 A126 | D122-E124 PolarHBondContact O-N 3.27Å; D122-E125 CarbonylContact O-C 3.54Å; D122-E125 WeakPolarHBondContact O-CA 3.5Å; D122-E125 WeakPolarHBondContact O-CB 3.05Å; D122-E125 PolarHBondContact O-N 3.44Å; D122-A126 PolarHBondContact O-N 2.93Å |
| 123 | V | 86.8 | Confident | 91.7 | Very high | 98 Ų | 98 | 96.5 Ų | 96.5 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -61.4 | -34.5 | -173.3 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | E125 A126 | V123-E125 PolarHBondContact O-N 2.88Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-A126 VanDerWaalsContact O-N 3.15Å |
| 124 | E | 88.5 | Confident | 91.5 | Very high | 149 Ų | 149 | 98.4 Ų | 98.4 | 70% | 0.696 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -63.3 | -28.1 | 175.6 | -61.2 | 77 | -171.2 | 0 | 0 | 112 | D122 W127 | D122-E124 PolarHBondContact O-N 3.27Å; E124-W127 VanDerWaalsContact O-CD1 3.29Å |
| 125 | E | 90.3 | Very high | 91.2 | Very high | 67 Ų | 67 | 97 Ų | 97 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -95.6 | 1.9 | 179.8 | -65.5 | -63.9 | 135 | 0 | 0 | 112.6 | V121 D122 V123 W127 K128 | V121-E125 HydrophobicContact CB-CB 4.09Å; D122-E125 CarbonylContact O-C 3.54Å; D122-E125 WeakPolarHBondContact O-CA 3.5Å; D122-E125 WeakPolarHBondContact O-CB 3.05Å; D122-E125 PolarHBondContact O-N 3.44Å; V123-E125 PolarHBondContact O-N 2.88Å; E125-W127 PolarHBondContact O-N 3.32Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å; E125-K128 HydrophobicContact CB-CD 4.46Å; E125-K128 WeakPolarHBondContact O-CB 3.35Å; E125-K128 WeakPolarHBondContact O-CG 3.46Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 WeakPolarHBondContact OE2-CE 3.16Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.44Å |
| 126 | A | 91.4 | Very high | 90.8 | Very high | 17 Ų | 17 | 97 Ų | 97 | 14% | 0.14 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -62 | -14 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D122 V123 K128 C129 W140 | D122-A126 PolarHBondContact O-N 2.93Å; V123-A126 WeakPolarHBondContact O-CB 3.24Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-A126 VanDerWaalsContact O-N 3.15Å; A126-K128 PolarHBondContact O-N 3.28Å; A126-C129 VanDerWaalsContact O-CB 3.25Å; A126-C129 WeakPolarHBondContact O-CB 2.9Å; A126-C129 PolarHBondContact O-N 3.18Å; A126-W140 HydrophobicContact CB-CH2 4.21Å |
| 127 | W | 90.8 | Very high | 90.6 | Very high | 143 Ų | 143 | 100.2 Ų | 100.2 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -58.3 | -28.9 | 170.5 | 68.2 | -94.5 | 0 | 0 | 0 | 112.2 | E124 E125 C129 R130 | E124-W127 VanDerWaalsContact O-CD1 3.29Å; E125-W127 PolarHBondContact O-N 3.32Å; E125-W127 PolarHBondContact OE2-NE1 2.79Å; W127-C129 PolarHBondContact O-N 3.17Å; W127-R130 VanDerWaalsContact O-CB 3.3Å; W127-R130 WeakPolarHBondContact O-CB 3.43Å; W127-R130 VanDerWaalsContact O-CG 3.31Å; W127-R130 WeakPolarHBondContact O-CG 3.25Å; W127-R130 PolarHBondContact O-N 3.03Å; W127-R130 VanDerWaalsContact O-N 3.11Å |
| 128 | K | 90.4 | Very high | 90.5 | Very high | 97 Ų | 97 | 95.7 Ų | 95.7 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -63.4 | -25.2 | 174.6 | -68.2 | 171.5 | 172.9 | 159.3 | 0 | 112.7 | E125 A126 R130 T131 | E125-K128 HydrophobicContact CB-CD 4.46Å; E125-K128 WeakPolarHBondContact O-CB 3.35Å; E125-K128 WeakPolarHBondContact O-CG 3.46Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 WeakPolarHBondContact OE2-CE 3.16Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.44Å; A126-K128 PolarHBondContact O-N 3.28Å; K128-R130 PolarHBondContact O-N 2.63Å; K128-T131 PolarHBondContact O-N 3.41Å |
| 129 | C | 91.2 | Very high | 90.5 | Very high | 22 Ų | 22 | 97.6 Ų | 97.6 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -68.6 | -16.1 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | A126 W127 T131 C132 | A126-C129 VanDerWaalsContact O-CB 3.25Å; A126-C129 WeakPolarHBondContact O-CB 2.9Å; A126-C129 PolarHBondContact O-N 3.18Å; W127-C129 PolarHBondContact O-N 3.17Å; C129-T131 PolarHBondContact O-N 3.01Å; C129-C132 PolarHBondContact O-N 3.13Å |
| 130 | R | 88.7 | Confident | 90.4 | Very high | 160 Ų | 160 | 94.5 Ų | 94.5 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -67.5 | -22.4 | 179.4 | -63.8 | 179 | -175.8 | -176.2 | 3.6 | 113.4 | W127 K128 | W127-R130 VanDerWaalsContact O-CB 3.3Å; W127-R130 WeakPolarHBondContact O-CB 3.43Å; W127-R130 VanDerWaalsContact O-CG 3.31Å; W127-R130 WeakPolarHBondContact O-CG 3.25Å; W127-R130 PolarHBondContact O-N 3.03Å; W127-R130 VanDerWaalsContact O-N 3.11Å; K128-R130 PolarHBondContact O-N 2.63Å |
| 131 | T | 92.1 | Very high | 90.3 | Very high | 119 Ų | 119 | 97.5 Ų | 97.5 | 73% | 0.73 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -121 | 19.6 | -179.8 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | K128 C129 | K128-T131 PolarHBondContact O-N 3.41Å; C129-T131 PolarHBondContact O-N 3.01Å |
| 132 | C | 92.4 | Very high | 90.1 | Very high | 50 Ų | 50 | 102.5 Ų | 102.5 | 34% | 0.338 | 49% | 0.493 | S | S | . | . | trans | -87.5 | 122.2 | -178.5 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | C129 Y134 V135 | C129-C132 PolarHBondContact O-N 3.13Å; C132-Y134 PolarHBondContact O-N 3.24Å; C132-Y134 VanDerWaalsContact O-N 3.09Å; C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CG1 3.31Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-V135 VanDerWaalsContact O-N 3.16Å | ||
| 133 | D | 94.9 | Very high | 89.5 | Confident | 150 Ų | 150 | 100.1 Ų | 100.1 | 80% | 0.802 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17 | -179.8 | -61.1 | -34.1 | 0 | 0 | 0 | 113.7 | ||
| 134 | Y | 91.9 | Very high | 88.5 | Confident | 161 Ų | 161 | 98 Ų | 98 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 12 | -177.8 | -53.3 | -78.8 | 0 | 0 | 0 | 113.1 | C132 D136 I137 C138 | C132-Y134 PolarHBondContact O-N 3.24Å; C132-Y134 VanDerWaalsContact O-N 3.09Å; Y134-D136 PolarHBondContact O-N 2.81Å; Y134-D136 VanDerWaalsContact O-N 3.17Å; Y134-I137 HydrophobicContact CD1-CD1 4.24Å; Y134-I137 WeakPolarHBondContact O-CG1 3.42Å; Y134-I137 PolarHBondContact O-N 3.33Å; Y134-I137 VanDerWaalsContact O-N 3.13Å; Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 VanDerWaalsContact O-N 3.1Å |
| 135 | V | 90.7 | Very high | 87 | Confident | 36 Ų | 36 | 93.9 Ų | 93.9 | 22% | 0.218 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -32.6 | -171.1 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | C132 I137 | C132-V135 VanDerWaalsContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CB 3.3Å; C132-V135 WeakPolarHBondContact O-CG1 3.31Å; C132-V135 PolarHBondContact O-N 3.48Å; C132-V135 VanDerWaalsContact O-N 3.16Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.46Å |
| 136 | D | 90 | Very high | 85.3 | Confident | 149 Ų | 149 | 92.9 Ų | 92.9 | 80% | 0.797 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -24.2 | -177.6 | -63.7 | -32.6 | 0 | 0 | 0 | 113.3 | Y134 | Y134-D136 PolarHBondContact O-N 2.81Å; Y134-D136 VanDerWaalsContact O-N 3.17Å |
| 137 | I | 92.1 | Very high | 83.2 | Confident | 123 Ų | 123 | 98.2 Ų | 98.2 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 2.9 | -179.5 | 65.4 | 169.3 | 0 | 0 | 0 | 113 | Y134 V135 E139 | Y134-I137 HydrophobicContact CD1-CD1 4.24Å; Y134-I137 WeakPolarHBondContact O-CG1 3.42Å; Y134-I137 PolarHBondContact O-N 3.33Å; Y134-I137 VanDerWaalsContact O-N 3.13Å; V135-I137 VanDerWaalsContact C-N 3.34Å; V135-I137 PolarHBondContact O-N 3.46Å; I137-E139 PolarHBondContact O-N 3.26Å; I137-E139 VanDerWaalsContact O-N 3.17Å |
| 138 | C | 90.9 | Very high | 81.2 | Confident | 40 Ų | 40 | 95.9 Ų | 95.9 | 27% | 0.27 | 51% | 0.512 | S | S | . | . | trans | -74.1 | 106.5 | -175.4 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Y134 W140 R141 R142 | Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 VanDerWaalsContact O-N 3.1Å; C138-W140 VanDerWaalsContact C-N 3.34Å; C138-W140 PolarHBondContact O-N 3.28Å; C138-R141 HydrophobicContact CB-CB 4.1Å; C138-R141 PolarHBondContact O-N 2.96Å; C138-R142 PolarHBondContact O-N 3.01Å; C138-R142 VanDerWaalsContact O-N 3.16Å | ||
| 139 | E | 89.8 | Confident | 78.9 | Confident | 134 Ų | 134 | 95.1 Ų | 95.1 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | -178.9 | -52.4 | -154.8 | 127.5 | 0 | 0 | 113 | I137 R141 R142 G143 | I137-E139 PolarHBondContact O-N 3.26Å; I137-E139 VanDerWaalsContact O-N 3.17Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R142 PolarHBondContact O-N 3.25Å; E139-R142 IonicContact OE1-NH2 3.46Å; E139-R142 PolarHBondContact OE1-NH2 2.91Å; E139-G143 PolarHBondContact O-N 3.42Å |
| 140 | W | 89.2 | Confident | 76.5 | Confident | 66 Ų | 66 | 99 Ų | 99 | 25% | 0.25 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 175.5 | 175.4 | 84.5 | 0 | 0 | 0 | 111.2 | V121 A126 C138 R142 G143 S144 | V121-W140 HydrophobicContact CG2-CH2 3.68Å; V121-W140 HydrophobicContact CG2-CZ2 4.37Å; V121-W140 HydrophobicContact CG2-CZ3 3.86Å; V121-W140 WeakPolarHBondContact O-CH2 3.3Å; V121-W140 WeakPolarHBondContact O-CZ2 3.49Å; A126-W140 HydrophobicContact CB-CH2 4.21Å; C138-W140 VanDerWaalsContact C-N 3.34Å; C138-W140 PolarHBondContact O-N 3.28Å; W140-R142 PolarHBondContact O-N 2.84Å; W140-G143 PolarHBondContact O-N 2.85Å; W140-S144 PolarHBondContact NE1-OG 3.28Å; W140-S144 WeakPolarHBondContact O-CB 3.42Å; W140-S144 PolarHBondContact O-N 3.22Å; W140-S144 PolarHBondContact O-OG 3.42Å |
| 141 | R | 85.4 | Confident | 74.2 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 36% | 0.358 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.5 | -42.1 | 177.8 | -173.2 | -178.4 | -178.4 | -134.1 | 5.6 | 111.7 | C138 E139 | C138-R141 HydrophobicContact CB-CB 4.1Å; C138-R141 PolarHBondContact O-N 2.96Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.4Å |
| 142 | R | 85.3 | Confident | 71.4 | Confident | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -40.2 | 179.2 | -172 | 175.6 | 64.1 | -146.2 | -3.1 | 112.1 | C138 E139 W140 | C138-R142 PolarHBondContact O-N 3.01Å; C138-R142 VanDerWaalsContact O-N 3.16Å; E139-R142 PolarHBondContact O-N 3.25Å; E139-R142 IonicContact OE1-NH2 3.46Å; E139-R142 PolarHBondContact OE1-NH2 2.91Å; W140-R142 PolarHBondContact O-N 2.84Å |
| 143 | G | 77.5 | Confident | 68.8 | Low | 67 Ų | 67 | 106 Ų | 106 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -83.6 | -26.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E139 W140 G145 | E139-G143 PolarHBondContact O-N 3.42Å; W140-G143 PolarHBondContact O-N 2.85Å; G143-G145 VanDerWaalsContact C-N 3.25Å; G143-G145 PolarHBondContact O-N 3.49Å |
| 144 | S | 65.3 | Low | 66.1 | Low | 54 Ų | 54 | 108.6 Ų | 108.6 | 38% | 0.378 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | 4.8 | -173.5 | -57.2 | 0 | 0 | 0 | 0 | 114.5 | W140 V146 | W140-S144 PolarHBondContact NE1-OG 3.28Å; W140-S144 WeakPolarHBondContact O-CB 3.42Å; W140-S144 PolarHBondContact O-N 3.22Å; W140-S144 PolarHBondContact O-OG 3.42Å; S144-V146 PolarHBondContact O-N 3.16Å |
| 145 | G | 56.2 | Low | 63.7 | Low | 63 Ų | 63 | 105.1 Ų | 105.1 | 65% | 0.649 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 10.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G143 L147 | G143-G145 VanDerWaalsContact C-N 3.25Å; G143-G145 PolarHBondContact O-N 3.49Å; G145-L147 PolarHBondContact O-N 3.43Å |
| 146 | V | 54.4 | Low | 61.3 | Low | 45 Ų | 45 | 112.3 Ų | 112.3 | 27% | 0.273 | 61% | 0.613 | S | S | . | * | trans | -76.6 | 45.7 | 171.1 | -165.5 | 0 | 0 | 0 | 0 | 109.1 | S144 | S144-V146 PolarHBondContact O-N 3.16Š| ||
| 147 | L | 48.4 | Very low | 58.8 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | trans | -81.9 | 118.8 | 165 | -120.3 | 96.5 | 0 | 0 | 0 | 106.7 | G145 | G145-L147 PolarHBondContact O-N 3.43Š| ||
| 148 | S | 48.4 | Very low | 56.3 | Low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | trans | 53 | 69.5 | 159 | 66.7 | 0 | 0 | 0 | 0 | 117.3 | S150 | S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.39Å | ||
| 149 | S | 43.1 | Very low | 53.7 | Low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | trans | -86 | 90.7 | 135.3 | 67.3 | 0 | 0 | 0 | 0 | 106.6 | W151 | S149-W151 PolarHBondContact O-N 3.09Š| ||
| 150 | S | 40.8 | Very low | 51.9 | Low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -55.1 | 90.5 | 158.4 | 27 | 0 | 0 | 0 | 0 | 107.5 | S148 E152 | S148-S150 VanDerWaalsContact C-N 3.32Å; S148-S150 PolarHBondContact O-N 3.39Å; S150-E152 PolarHBondContact O-N 3.17Å | ||
| 151 | W | 38.8 | Very low | 50 | Low | 191 Ų | 191 | 133 Ų | 133 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | trans | -75.8 | 84.6 | 166.8 | -127.5 | -57.5 | 0 | 0 | 0 | 106.2 | S149 | S149-W151 PolarHBondContact O-N 3.09Š| ||
| 152 | E | 34.9 | Very low | 48 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | -59.3 | 131 | 161 | -69 | -169.4 | 129 | 0 | 0 | 107.4 | S150 K154 | S150-E152 PolarHBondContact O-N 3.17Å; E152-K154 PolarHBondContact O-N 3.1Å | ||
| 153 | P | 36.5 | Very low | 45.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -63.1 | 107.3 | 171.9 | -5.4 | 17.2 | 0 | 0 | 0 | 107.3 | A155 | P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 3.13Å | ||
| 154 | K | 37.7 | Very low | 43.8 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | -64.7 | 101.9 | 167 | -78 | -164.8 | 178.3 | -178.1 | 0 | 107.4 | E152 K156 | E152-K154 PolarHBondContact O-N 3.1Å; K154-K156 PolarHBondContact O-N 3.5Å; K154-K156 VanDerWaalsContact O-N 3.07Å | ||
| 155 | A | 41.4 | Very low | 42.4 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -53.3 | 115.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P153 K157 | P153-A155 VanDerWaalsContact C-N 3.34Å; P153-A155 PolarHBondContact O-N 3.13Å; A155-K157 PolarHBondContact O-N 3.17Å | ||
| 156 | K | 40.4 | Very low | 41.4 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 102.7 | 167.9 | -85.6 | 177.3 | 173.4 | 176.1 | 0 | 107.5 | K154 F158 | K154-K156 PolarHBondContact O-N 3.5Å; K154-K156 VanDerWaalsContact O-N 3.07Å; K156-F158 PolarHBondContact O-N 2.91Å | ||
| 157 | K | 37.7 | Very low | 40.4 | Very low | 203 Ų | 203 | 157.2 Ų | 157.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 110.1 | 160.8 | -77.6 | -171 | 177.9 | 179.1 | 0 | 106.9 | A155 K159 | A155-K157 PolarHBondContact O-N 3.17Å; K157-K159 PolarHBondContact O-N 3.16Å | ||
| 158 | F | 39.6 | Very low | 39.8 | Very low | 196 Ų | 196 | 159.5 Ų | 159.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -65.3 | 121.9 | 161.8 | -84.1 | -91.8 | 0 | 0 | 0 | 108.7 | K156 | K156-F158 PolarHBondContact O-N 2.91Š| ||
| 159 | K | 37.8 | Very low | 39 | Very low | 282 Ų | 282 | 165.5 Ų | 165.5 | 100% | 1.226 | 82% | 0.816 | S | S | * | * | trans | -141.4 | 0 | 150 | -91.9 | -167.1 | 175.3 | -173.9 | 0 | 107.4 | K157 | K157-K159 PolarHBondContact O-N 3.16Š|
Retrieved 159 of 159 residues in 164.7 ms
(Link to these results)