| 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 | 88.8 | Confident | 96.6 | Very high | 150 Ų | 150 | 67.1 Ų | 67.1 | 74% | 0.739 | 35% | 0.346 | S | S | * | . | 0 | -16.9 | 0 | -78.8 | -66.1 | -128.3 | 0 | 0 | 113.6 | F3 Y4 S5 E89 | M1-F3 PolarHBondContact O-N 2.75Å; M1-Y4 PolarHBondContact O-N 3.29Å; M1-Y4 HydrophobicContact SD-CD1 4.23Å; M1-S5 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-OG 2.88Å; M1-E89 PolarHBondContact N-OE1 3.28Å; M1-E89 PolarHBondContact N-OE2 3.05Å | |||
| 2 | L | 96.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -40.6 | -63.2 | -179.2 | -175.8 | 66.1 | 0 | 0 | 0 | 114.9 | Y4 S5 F6 A85 A86 E89 | L2-Y4 PolarHBondContact O-N 3.42Å; L2-S5 PolarHBondContact O-N 3.03Å; L2-F6 WeakPolarHBondContact O-CB 3.49Å; L2-F6 PolarHBondContact O-N 3.16Å; L2-A85 HydrophobicContact CD1-CB 3.37Å; L2-A86 HydrophobicContact CD2-CB 4.09Å; L2-E89 HydrophobicContact CB-CB 4.29Å; L2-E89 HydrophobicContact CB-CG 3.96Å; L2-E89 PolarHBondContact N-OE2 3.28Å |
| 3 | F | 97.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 66.2 Ų | 66.2 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.3 | -31.2 | -172 | -68.3 | -65.1 | 0 | 0 | 0 | 114.2 | M1 F6 F7 L36 | M1-F3 PolarHBondContact O-N 2.75Å; F3-F6 PolarHBondContact O-N 3.28Å; F3-F7 WeakPolarHBondContact O-CD2 2.98Å; F3-F7 PolarHBondContact O-N 3.02Å; F3-L36 HydrophobicContact CB-CD1 4.1Å; F3-L36 HydrophobicContact CB-CD2 4.24Å |
| 4 | Y | 97.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 172.5 | 170.5 | -118.2 | 0 | 0 | 0 | 111.2 | M1 L2 K8 V32 D33 | M1-Y4 PolarHBondContact O-N 3.29Å; M1-Y4 HydrophobicContact SD-CD1 4.23Å; L2-Y4 PolarHBondContact O-N 3.42Å; Y4-K8 HydrophobicContact CE2-CG 4.29Å; Y4-K8 PolarHBondContact O-N 3.05Å; Y4-K8 WeakPolarHBondContact OH-CE 3.44Å; Y4-K8 PolarHBondContact OH-NZ 3.44Å; Y4-V32 HydrophobicContact CD2-CG1 4.17Å; Y4-V32 HydrophobicContact CE2-CG1 4.28Å; Y4-D33 VanDerWaalsContact CD2-O 3.27Å; Y4-D33 WeakPolarHBondContact CD2-O 3.42Å |
| 5 | S | 97.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 64.3 Ų | 64.3 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.7 | -51.9 | 0 | 0 | 0 | 0 | 111.4 | M1 L2 K8 S9 | M1-S5 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-OG 2.88Å; L2-S5 PolarHBondContact O-N 3.03Å; S5-K8 WeakPolarHBondContact O-CB 3.45Å; S5-K8 PolarHBondContact O-N 3.48Å; S5-S9 PolarHBondContact O-N 3.48Å |
| 6 | F | 97.9 | Very high | 96.9 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -53.9 | 175 | 176.6 | -108.1 | 0 | 0 | 0 | 111.9 | L2 F3 K8 S9 L10 L72 V77 L82 | L2-F6 WeakPolarHBondContact O-CB 3.49Å; L2-F6 PolarHBondContact O-N 3.16Å; F3-F6 PolarHBondContact O-N 3.28Å; F6-K8 VanDerWaalsContact C-N 3.26Å; F6-K8 PolarHBondContact O-N 3.03Å; F6-S9 WeakPolarHBondContact O-CB 3.24Å; F6-S9 PolarHBondContact O-N 2.92Å; F6-S9 PolarHBondContact O-OG 3.5Å; F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.73Å; F6-L10 HydrophobicContact CE2-CD1 4.41Å; F6-L10 HydrophobicContact CZ-CD1 3.82Å; F6-L72 HydrophobicContact CE1-CD1 3.63Å; F6-L72 HydrophobicContact CZ-CD1 3.65Å; F6-V77 HydrophobicContact CE2-CG1 4.07Å; F6-V77 HydrophobicContact CE2-CG2 4.21Å; F6-V77 HydrophobicContact CZ-CG1 4.31Å; F6-V77 HydrophobicContact CZ-CG2 3.96Å; F6-L82 HydrophobicContact CD2-CD1 4.09Å; F6-L82 HydrophobicContact CE2-CD1 4.43Å |
| 7 | F | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.8 | -28.2 | 178.4 | -76.8 | -61 | 0 | 0 | 0 | 113.2 | F3 S9 L10 L29 V32 L36 V70 | F3-F7 WeakPolarHBondContact O-CD2 2.98Å; F3-F7 PolarHBondContact O-N 3.02Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 3.39Å; F7-L10 HydrophobicContact CD1-CD1 4.09Å; F7-L10 PolarHBondContact O-N 3.41Å; F7-L29 HydrophobicContact CD1-CD2 4.48Å; F7-L29 WeakPolarHBondContact O-CD2 3.18Å; F7-V32 HydrophobicContact CB-CB 4.06Å; F7-V32 HydrophobicContact CB-CG1 3.78Å; F7-V32 HydrophobicContact CB-CG2 3.88Å; F7-V32 HydrophobicContact CG-CG2 4.5Å; F7-L36 HydrophobicContact CD2-CD2 4.28Å; F7-V70 HydrophobicContact CE1-CB 4.2Å; F7-V70 HydrophobicContact CE1-CG1 4.08Å; F7-V70 HydrophobicContact CE1-CG2 4.22Å; F7-V70 HydrophobicContact CZ-CB 4.33Å; F7-V70 HydrophobicContact CZ-CG2 4.08Å |
| 8 | K | 97.3 | Very high | 97 | Very high | 111 Ų | 111 | 57.4 Ų | 57.4 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 170.1 | -89.1 | -150.7 | -176.6 | 173.4 | 0 | 113 | Y4 S5 F6 L10 V11 V32 | Y4-K8 HydrophobicContact CE2-CG 4.29Å; Y4-K8 PolarHBondContact O-N 3.05Å; Y4-K8 WeakPolarHBondContact OH-CE 3.44Å; Y4-K8 PolarHBondContact OH-NZ 3.44Å; S5-K8 WeakPolarHBondContact O-CB 3.45Å; S5-K8 PolarHBondContact O-N 3.48Å; F6-K8 VanDerWaalsContact C-N 3.26Å; F6-K8 PolarHBondContact O-N 3.03Å; K8-L10 PolarHBondContact O-N 3.17Å; K8-V11 WeakPolarHBondContact O-CG2 3.47Å; K8-V11 PolarHBondContact O-N 3.42Å; K8-V32 HydrophobicContact CG-CG1 3.83Å |
| 9 | S | 97.1 | Very high | 97 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.2 | -20.5 | 177.9 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | S5 F6 F7 | S5-S9 PolarHBondContact O-N 3.48Å; F6-S9 WeakPolarHBondContact O-CB 3.24Å; F6-S9 PolarHBondContact O-N 2.92Å; F6-S9 PolarHBondContact O-OG 3.5Å; F7-S9 VanDerWaalsContact C-N 3.28Å; F7-S9 PolarHBondContact O-N 3.39Å |
| 10 | L | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.2 | -179.2 | -61 | 170.3 | 0 | 0 | 0 | 113.2 | F6 F7 K8 G12 K13 L29 L72 E76 | F6-L10 HydrophobicContact CD1-CD1 4.25Å; F6-L10 HydrophobicContact CE1-CD1 3.73Å; F6-L10 HydrophobicContact CE2-CD1 4.41Å; F6-L10 HydrophobicContact CZ-CD1 3.82Å; F7-L10 HydrophobicContact CD1-CD1 4.09Å; F7-L10 PolarHBondContact O-N 3.41Å; K8-L10 PolarHBondContact O-N 3.17Å; L10-G12 PolarHBondContact O-N 3.09Å; L10-K13 VanDerWaalsContact O-CB 3.28Å; L10-K13 WeakPolarHBondContact O-CB 2.94Å; L10-K13 WeakPolarHBondContact O-CG 3.5Å; L10-K13 PolarHBondContact O-N 2.69Å; L10-L29 HydrophobicContact CB-CD2 3.86Å; L10-L72 HydrophobicContact CD1-CD1 3.75Å; L10-L72 HydrophobicContact CD1-CD2 3.78Å; L10-L72 HydrophobicContact CD1-CG 4.38Å; L10-E76 HydrophobicContact CD2-CB 3.79Å |
| 11 | V | 97.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 130.4 | 176.4 | 171 | 0 | 0 | 0 | 0 | 109.7 | K8 L29 H30 | K8-V11 WeakPolarHBondContact O-CG2 3.47Å; K8-V11 PolarHBondContact O-N 3.42Å; V11-L29 CarbonylContact C-O 3.49Å; V11-L29 WeakPolarHBondContact CA-O 3.46Å; V11-L29 HydrophobicContact CG2-CG 4.47Å; V11-H30 WeakPolarHBondContact CG1-O 3.28Å |
| 12 | G | 97.5 | Very high | 97.1 | Very high | 52 Ų | 52 | 57.4 Ų | 57.4 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L10 L29 | L10-G12 PolarHBondContact O-N 3.09Å; G12-L29 PolarHBondContact N-O 2.87Å |
| 13 | K | 97.7 | Very high | 97 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -99.6 | 150.7 | 177.3 | -52.2 | -58.7 | -179.2 | 153.7 | 0 | 111.6 | L10 L29 E76 | L10-K13 VanDerWaalsContact O-CB 3.28Å; L10-K13 WeakPolarHBondContact O-CB 2.94Å; L10-K13 WeakPolarHBondContact O-CG 3.5Å; L10-K13 PolarHBondContact O-N 2.69Å; K13-L29 PolarHBondContact O-N 2.62Å; K13-E76 VanDerWaalsContact CD-CD 3.5Å; K13-E76 HydrophobicContact CD-CG 4.21Å; K13-E76 WeakPolarHBondContact CD-OE1 3.25Å; K13-E76 WeakPolarHBondContact CD-OE2 3.46Å; K13-E76 WeakPolarHBondContact CE-OE1 3.5Å; K13-E76 WeakPolarHBondContact CE-OE2 3.39Å; K13-E76 HydrophobicContact CG-CG 4.28Å; K13-E76 IonicContact NZ-OE1 3.18Å; K13-E76 PolarHBondContact NZ-OE1 3.29Å; K13-E76 IonicContact NZ-OE2 2.81Å; K13-E76 PolarHBondContact NZ-OE2 3.2Å |
| 14 | D | 97.3 | Very high | 96.9 | Very high | 100 Ų | 100 | 52.1 Ų | 52.1 | 54% | 0.535 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.7 | 175.5 | -68.5 | -24.5 | 0 | 0 | 0 | 110.5 | T28 | D14-T28 PolarHBondContact OD1-OG1 2.95Å |
| 15 | V | 97.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 158.9 | -177 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | V17 C26 G27 L29 L40 V70 L72 | V15-V17 HydrophobicContact CG2-CG2 4.28Å; V15-C26 WeakPolarHBondContact O-CA 3.35Å; V15-G27 PolarHBondContact N-O 3.17Å; V15-G27 PolarHBondContact O-N 3.1Å; V15-G27 VanDerWaalsContact O-N 3.1Å; V15-L29 HydrophobicContact CG2-CB 4.27Å; V15-L40 HydrophobicContact CG2-CD2 3.76Å; V15-V70 HydrophobicContact CB-CG1 4.16Å; V15-V70 HydrophobicContact CG2-CG1 4.5Å; V15-L72 HydrophobicContact CB-CD2 4.2Å; V15-L72 HydrophobicContact CG1-CD2 3.49Å; V15-L72 VanDerWaalsContact CG1-CD2 3.49Å |
| 16 | V | 97.9 | Very high | 96.9 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.9 | 169.8 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | I25 C26 V70 Q71 | V16-I25 WeakPolarHBondContact CA-O 3.39Å; V16-C26 HydrophobicContact CG2-CB 4.22Å; V16-V70 CarbonylContact O-C 3.58Å; V16-V70 WeakPolarHBondContact O-CA 3.36Å; V16-Q71 HydrophobicContact CB-CB 4.05Å; V16-Q71 HydrophobicContact CB-CG 4.27Å; V16-Q71 PolarHBondContact N-O 3.35Å; V16-Q71 VanDerWaalsContact N-O 3.15Å; V16-Q71 PolarHBondContact O-N 2.78Å |
| 17 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.3 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | V15 L19 S24 I25 I38 L40 I62 V67 V70 | V15-V17 HydrophobicContact CG2-CG2 4.28Å; V17-L19 HydrophobicContact CG1-CD2 3.87Å; V17-S24 WeakPolarHBondContact O-CA 3.37Å; V17-I25 PolarHBondContact N-O 3.44Å; V17-I25 PolarHBondContact O-N 3.37Å; V17-I38 HydrophobicContact CG2-CD1 4.34Å; V17-L40 HydrophobicContact CB-CD1 4.45Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; V17-I62 HydrophobicContact CB-CD1 4.17Å; V17-I62 HydrophobicContact CG1-CD1 3.99Å; V17-I62 HydrophobicContact CG2-CD1 4.46Å; V17-V67 HydrophobicContact CG1-CG1 3.97Å; V17-V67 HydrophobicContact CG1-CG2 3.96Å; V17-V70 HydrophobicContact CG2-CG1 4.32Å; V17-V70 HydrophobicContact CG2-CG2 4.41Å |
| 18 | E | 97.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.6 | 172.2 | -170.1 | -171.8 | 131.2 | 0 | 0 | 109.5 | R68 Y69 | E18-R68 WeakPolarHBondContact O-CA 3.24Å; E18-R68 PolarHBondContact O-N 2.98Å; E18-R68 IonicContact OE1-CZ 2.75Å; E18-R68 IonicContact OE1-NH1 2.68Å; E18-R68 PolarHBondContact OE1-NH1 3.39Å; E18-Y69 PolarHBondContact N-O 2.83Å; E18-Y69 PolarHBondContact O-N 2.85Å |
| 19 | L | 97.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 160.5 | 179.8 | -56.2 | -172.1 | 0 | 0 | 0 | 111.5 | V17 N21 D22 L23 I25 I62 V66 V67 | V17-L19 HydrophobicContact CG1-CD2 3.87Å; L19-N21 WeakPolarHBondContact CB-OD1 3.44Å; L19-N21 PolarHBondContact O-N 2.91Å; L19-D22 PolarHBondContact O-N 3.48Å; L19-L23 HydrophobicContact CB-CB 4.44Å; L19-L23 HydrophobicContact CD1-CB 4.29Å; L19-L23 HydrophobicContact CD1-CD2 4.09Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 PolarHBondContact N-O 3.25Å; L19-I25 HydrophobicContact CD1-CD1 4.22Å; L19-I62 HydrophobicContact CD2-CG2 3.58Å; L19-V66 WeakPolarHBondContact CA-O 3.39Å; L19-V66 HydrophobicContact CD2-CG2 4.26Å; L19-V67 HydrophobicContact CD2-CG2 4.33Å |
| 20 | K | 97.4 | Very high | 97 | Very high | 127 Ų | 127 | 42.9 Ų | 42.9 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14 | 178.5 | -73.2 | 176.8 | -179.7 | 174 | 0 | 114.8 | S65 V66 R68 | K20-S65 WeakPolarHBondContact CE-O 3.49Å; K20-S65 PolarHBondContact NZ-O 2.91Å; K20-V66 WeakPolarHBondContact CG-O 3.42Å; K20-V66 PolarHBondContact N-O 3.31Å; K20-R68 HydrophobicContact CG-CB 4.13Å; K20-R68 PolarHBondContact O-NH2 2.92Å |
| 21 | N | 93.8 | Very high | 97 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 18.1 | 174.6 | 69.3 | -17.1 | 0 | 0 | 0 | 112.7 | L19 L23 Y51 | L19-N21 WeakPolarHBondContact CB-OD1 3.44Å; L19-N21 PolarHBondContact O-N 2.91Å; N21-L23 PolarHBondContact O-N 2.99Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 3.48Å; N21-Y51 PolarHBondContact O-OH 3.15Å |
| 22 | D | 93.2 | Very high | 97.1 | Very high | 87 Ų | 87 | 42.8 Ų | 42.8 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 67.6 | 8 | 178 | -44.7 | -40.1 | 0 | 0 | 0 | 115 | L19 S24 R68 | L19-D22 PolarHBondContact O-N 3.48Å; D22-S24 PolarHBondContact O-N 3.27Å; D22-R68 IonicContact OD1-CZ 3.83Å; D22-R68 IonicContact OD1-NH1 2.87Å; D22-R68 PolarHBondContact OD1-NH1 2.91Å; D22-R68 IonicContact OD1-NH2 2.75Å; D22-R68 PolarHBondContact OD1-NH2 3.44Å |
| 23 | L | 94.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | trans | -72.5 | 125.2 | 170.1 | 173.7 | 59.6 | 0 | 0 | 0 | 109.6 | L19 N21 I25 V45 Y51 | L19-L23 HydrophobicContact CB-CB 4.44Å; L19-L23 HydrophobicContact CD1-CB 4.29Å; L19-L23 HydrophobicContact CD1-CD2 4.09Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 PolarHBondContact N-O 3.25Å; N21-L23 PolarHBondContact O-N 2.99Å; N21-L23 WeakPolarHBondContact OD1-CB 3.28Å; N21-L23 PolarHBondContact OD1-N 3.48Å; L23-I25 HydrophobicContact CD1-CG1 4.36Å; L23-I25 HydrophobicContact CD2-CD1 4.04Å; L23-I25 HydrophobicContact CD2-CG1 4.23Å; L23-I25 HydrophobicContact CG-CD1 4.26Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG1 3.59Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å; L23-Y51 HydrophobicContact CB-CE1 4.16Å; L23-Y51 HydrophobicContact CB-CE2 4.47Å; L23-Y51 HydrophobicContact CD1-CD1 3.98Å; L23-Y51 HydrophobicContact CD1-CD2 3.61Å; L23-Y51 HydrophobicContact CD1-CE1 4.26Å; L23-Y51 HydrophobicContact CD1-CE2 3.89Å; L23-Y51 HydrophobicContact CD1-CG 3.67Å | ||
| 24 | S | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 46 Ų | 46 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.7 | 174 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | V17 D22 T46 | V17-S24 WeakPolarHBondContact O-CA 3.37Å; D22-S24 PolarHBondContact O-N 3.27Å; S24-T46 PolarHBondContact O-N 2.89Å |
| 25 | I | 96.6 | Very high | 97 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.6 | -178.2 | -52.8 | 172.3 | 0 | 0 | 0 | 108.1 | V16 V17 L19 L23 L40 I43 M54 I62 | V16-I25 WeakPolarHBondContact CA-O 3.39Å; V17-I25 PolarHBondContact N-O 3.44Å; V17-I25 PolarHBondContact O-N 3.37Å; L19-I25 HydrophobicContact CD1-CD1 4.22Å; L23-I25 HydrophobicContact CD1-CG1 4.36Å; L23-I25 HydrophobicContact CD2-CD1 4.04Å; L23-I25 HydrophobicContact CD2-CG1 4.23Å; L23-I25 HydrophobicContact CG-CD1 4.26Å; L23-I25 HydrophobicContact CG-CG1 3.95Å; I25-L40 HydrophobicContact CB-CD1 4.46Å; I25-L40 HydrophobicContact CG2-CD1 3.97Å; I25-I43 HydrophobicContact CG2-CB 3.88Å; I25-I43 HydrophobicContact CG2-CD1 4.18Å; I25-I43 HydrophobicContact CG2-CG2 4.14Å; I25-M54 HydrophobicContact CD1-CE 3.94Å; I25-M54 HydrophobicContact CG1-CE 4.44Å; I25-I62 HydrophobicContact CD1-CD1 4.11Å |
| 26 | C | 97 | Very high | 97 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 28% | 0.277 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 142.8 | 169.3 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | V15 V16 I43 S44 | V15-C26 WeakPolarHBondContact O-CA 3.35Å; V16-C26 HydrophobicContact CG2-CB 4.22Å; C26-I43 CarbonylContact O-C 3.59Å; C26-I43 WeakPolarHBondContact O-CA 3.45Å; C26-I43 WeakPolarHBondContact O-CB 3.27Å; C26-S44 PolarHBondContact N-O 2.78Å; C26-S44 PolarHBondContact O-N 3.33Å |
| 27 | G | 97.2 | Very high | 97 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V15 | V15-G27 PolarHBondContact N-O 3.17Å; V15-G27 PolarHBondContact O-N 3.1Å; V15-G27 VanDerWaalsContact O-N 3.1Å |
| 28 | T | 98.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.2 | 179.9 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | D14 H30 L40 T41 | D14-T28 PolarHBondContact OD1-OG1 2.95Å; T28-H30 PolarHBondContact O-N 3.35Å; T28-H30 VanDerWaalsContact O-N 3.15Å; T28-L40 WeakPolarHBondContact O-CA 3.43Å; T28-T41 PolarHBondContact N-O 3.46Å; T28-T41 PolarHBondContact O-N 2.77Å |
| 29 | L | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 109.8 | 178.4 | -178.2 | 59.7 | 0 | 0 | 0 | 110.7 | F7 L10 V11 G12 K13 V15 I38 L40 | F7-L29 HydrophobicContact CD1-CD2 4.48Å; F7-L29 WeakPolarHBondContact O-CD2 3.18Å; L10-L29 HydrophobicContact CB-CD2 3.86Å; V11-L29 CarbonylContact C-O 3.49Å; V11-L29 WeakPolarHBondContact CA-O 3.46Å; V11-L29 HydrophobicContact CG2-CG 4.47Å; G12-L29 PolarHBondContact N-O 2.87Å; K13-L29 PolarHBondContact O-N 2.62Å; V15-L29 HydrophobicContact CG2-CB 4.27Å; L29-I38 HydrophobicContact CD1-CB 4.49Å; L29-I38 HydrophobicContact CD1-CG1 4.43Å; L29-I38 HydrophobicContact CD1-CG2 3.61Å; L29-L40 HydrophobicContact CB-CD2 4.44Å; L29-L40 HydrophobicContact CD1-CD2 4.23Å |
| 30 | H | 98.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -40.3 | -177.5 | -177.2 | 82.3 | 0 | 0 | 0 | 112.9 | V11 T28 K39 T41 | V11-H30 WeakPolarHBondContact CG1-O 3.28Å; T28-H30 PolarHBondContact O-N 3.35Å; T28-H30 VanDerWaalsContact O-N 3.15Å; H30-K39 HydrophobicContact CB-CB 4.47Å; H30-K39 HydrophobicContact CB-CG 4.49Å; H30-K39 WeakPolarHBondContact CB-O 3.38Å; H30-K39 PolarHBondContact N-O 2.72Å; H30-T41 HydrophobicContact CB-CG2 3.79Å |
| 31 | S | 98.3 | Very high | 97.2 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 153.9 | 178.2 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | K39 | S31-K39 PolarHBondContact N-O 2.88Å; S31-K39 PolarHBondContact O-N 2.91Å; S31-K39 VanDerWaalsContact OG-CB 3.23Å; S31-K39 WeakPolarHBondContact OG-CB 3.43Å |
| 32 | V | 98.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.2 | 171.8 | 67.6 | 0 | 0 | 0 | 0 | 110.5 | Y4 F7 K8 L36 N37 | Y4-V32 HydrophobicContact CD2-CG1 4.17Å; Y4-V32 HydrophobicContact CE2-CG1 4.28Å; F7-V32 HydrophobicContact CB-CB 4.06Å; F7-V32 HydrophobicContact CB-CG1 3.78Å; F7-V32 HydrophobicContact CB-CG2 3.88Å; F7-V32 HydrophobicContact CG-CG2 4.5Å; K8-V32 HydrophobicContact CG-CG1 3.83Å; V32-L36 HydrophobicContact CG2-CD2 4.45Å; V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.42Å |
| 33 | D | 97.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | trans | -113.9 | -178.7 | 174.3 | 76.3 | 13.2 | 0 | 0 | 0 | 113.3 | Y4 Y35 L36 N37 | Y4-D33 VanDerWaalsContact CD2-O 3.27Å; Y4-D33 WeakPolarHBondContact CD2-O 3.42Å; D33-Y35 PolarHBondContact O-N 3.33Å; D33-Y35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Y35 PolarHBondContact OD1-N 3.32Å; D33-L36 WeakPolarHBondContact O-CA 3.47Å; D33-L36 PolarHBondContact O-N 3.19Å; D33-L36 PolarHBondContact OD1-N 3.43Å; D33-N37 PolarHBondContact N-O 3.02Å; D33-N37 WeakPolarHBondContact OD1-CB 3.37Å; D33-N37 PolarHBondContact OD1-N 3.01Å; D33-N37 PolarHBondContact OD1-ND2 3.06Å; D33-N37 WeakPolarHBondContact OD2-CB 3.21Å; D33-N37 PolarHBondContact OD2-ND2 3.29Å | ||
| 34 | Q | 95.9 | Very high | 97.5 | Very high | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.4 | -178 | 68.1 | -175.6 | -6.1 | 0 | 0 | 114.6 | L36 | Q34-L36 VanDerWaalsContact C-N 3.3Š|
| 35 | Y | 97.4 | Very high | 97.3 | Very high | 161 Ų | 161 | 48.6 Ų | 48.6 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 8.4 | 175.3 | -60.7 | -66.4 | 0 | 0 | 0 | 112.1 | D33 N37 | D33-Y35 PolarHBondContact O-N 3.33Å; D33-Y35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Y35 PolarHBondContact OD1-N 3.32Å; Y35-N37 PolarHBondContact O-N 3.2Å |
| 36 | L | 98.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | trans | 59.4 | 29.7 | -175.8 | -44.6 | -179.7 | 0 | 0 | 0 | 111.9 | F3 F7 V32 D33 Q34 G64 | F3-L36 HydrophobicContact CB-CD1 4.1Å; F3-L36 HydrophobicContact CB-CD2 4.24Å; F7-L36 HydrophobicContact CD2-CD2 4.28Å; V32-L36 HydrophobicContact CG2-CD2 4.45Å; D33-L36 WeakPolarHBondContact O-CA 3.47Å; D33-L36 PolarHBondContact O-N 3.19Å; D33-L36 PolarHBondContact OD1-N 3.43Å; Q34-L36 VanDerWaalsContact C-N 3.3Å; L36-G64 VanDerWaalsContact O-CA 3.25Å; L36-G64 WeakPolarHBondContact O-CA 3.35Å | ||
| 37 | N | 98.4 | Very high | 96.4 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -67.2 | 137.8 | 165.3 | -57.9 | -47.9 | 0 | 0 | 0 | 108.4 | V32 D33 Y35 F61 I62 R63 G64 | V32-N37 VanDerWaalsContact CA-O 3.31Å; V32-N37 WeakPolarHBondContact CA-O 3.42Å; D33-N37 PolarHBondContact N-O 3.02Å; D33-N37 WeakPolarHBondContact OD1-CB 3.37Å; D33-N37 PolarHBondContact OD1-N 3.01Å; D33-N37 PolarHBondContact OD1-ND2 3.06Å; D33-N37 WeakPolarHBondContact OD2-CB 3.21Å; D33-N37 PolarHBondContact OD2-ND2 3.29Å; Y35-N37 PolarHBondContact O-N 3.2Å; N37-F61 HydrophobicContact CB-CE2 3.7Å; N37-F61 HydrophobicContact CB-CZ 3.56Å; N37-I62 CarbonylContact C-O 3.26Å; N37-I62 WeakPolarHBondContact CA-O 3.46Å; N37-R63 VanDerWaalsContact OD1-CA 3.3Å; N37-R63 WeakPolarHBondContact OD1-CA 3.5Å; N37-G64 PolarHBondContact OD1-N 3.35Å | ||
| 38 | I | 98.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.3 | -172.3 | -71.9 | 168.9 | 0 | 0 | 0 | 108.9 | V17 L29 L40 I62 V70 | V17-I38 HydrophobicContact CG2-CD1 4.34Å; L29-I38 HydrophobicContact CD1-CB 4.49Å; L29-I38 HydrophobicContact CD1-CG1 4.43Å; L29-I38 HydrophobicContact CD1-CG2 3.61Å; I38-L40 HydrophobicContact CG2-CD2 3.66Å; I38-L40 HydrophobicContact CG2-CG 3.83Å; I38-I62 HydrophobicContact CB-CB 4.48Å; I38-I62 PolarHBondContact N-O 2.93Å; I38-I62 PolarHBondContact O-N 3.44Å; I38-V70 HydrophobicContact CD1-CG2 4.11Å |
| 39 | K | 98.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 65 Ų | 65 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.2 | 165.2 | -166.7 | 173.2 | 170.9 | -168.4 | 0 | 108.7 | H30 S31 C60 | H30-K39 HydrophobicContact CB-CB 4.47Å; H30-K39 HydrophobicContact CB-CG 4.49Å; H30-K39 WeakPolarHBondContact CB-O 3.38Å; H30-K39 PolarHBondContact N-O 2.72Å; S31-K39 PolarHBondContact N-O 2.88Å; S31-K39 PolarHBondContact O-N 2.91Å; S31-K39 VanDerWaalsContact OG-CB 3.23Å; S31-K39 WeakPolarHBondContact OG-CB 3.43Å; K39-C60 WeakPolarHBondContact CA-O 3.42Å |
| 40 | L | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 146.2 | 172.3 | -61.1 | -178.5 | 0 | 0 | 0 | 110.3 | V15 V17 I25 T28 L29 I38 I43 N59 C60 I62 | V15-L40 HydrophobicContact CG2-CD2 3.76Å; V17-L40 HydrophobicContact CB-CD1 4.45Å; V17-L40 HydrophobicContact CG2-CD1 3.94Å; I25-L40 HydrophobicContact CB-CD1 4.46Å; I25-L40 HydrophobicContact CG2-CD1 3.97Å; T28-L40 WeakPolarHBondContact O-CA 3.43Å; L29-L40 HydrophobicContact CB-CD2 4.44Å; L29-L40 HydrophobicContact CD1-CD2 4.23Å; I38-L40 HydrophobicContact CG2-CD2 3.66Å; I38-L40 HydrophobicContact CG2-CG 3.83Å; L40-I43 HydrophobicContact CB-CG2 3.55Å; L40-I43 HydrophobicContact CD1-CG2 4.49Å; L40-N59 WeakPolarHBondContact O-CA 3.35Å; L40-C60 PolarHBondContact N-O 3.16Å; L40-C60 PolarHBondContact O-N 3.19Å; L40-I62 HydrophobicContact CD1-CD1 4.01Å; L40-I62 HydrophobicContact CG-CD1 4.38Å |
| 41 | T | 98 | Very high | 94.4 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 161 | 170.3 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | T28 H30 I43 K58 N59 | T28-T41 PolarHBondContact N-O 3.46Å; T28-T41 PolarHBondContact O-N 2.77Å; H30-T41 HydrophobicContact CB-CG2 3.79Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.39Å; T41-K58 CarbonylContact C-O 3.56Å; T41-N59 WeakPolarHBondContact CA-OD1 3.34Å; T41-N59 WeakPolarHBondContact CB-OD1 3.37Å; T41-N59 WeakPolarHBondContact CG2-OD1 3.23Å |
| 42 | D | 96.1 | Very high | 94 | Very high | 124 Ų | 124 | 69 Ų | 69 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 49.3 | -179.1 | -61.5 | -42.8 | 0 | 0 | 0 | 112.9 | K58 N59 | D42-K58 WeakPolarHBondContact CA-O 2.94Å; D42-K58 PolarHBondContact N-O 3.19Å; D42-N59 PolarHBondContact N-OD1 3.1Å |
| 43 | I | 96.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 152.5 | -171.3 | 75.1 | 176.4 | 0 | 0 | 0 | 113 | I25 C26 L40 T41 M54 V57 K58 C60 | I25-I43 HydrophobicContact CG2-CB 3.88Å; I25-I43 HydrophobicContact CG2-CD1 4.18Å; I25-I43 HydrophobicContact CG2-CG2 4.14Å; C26-I43 CarbonylContact O-C 3.59Å; C26-I43 WeakPolarHBondContact O-CA 3.45Å; C26-I43 WeakPolarHBondContact O-CB 3.27Å; L40-I43 HydrophobicContact CB-CG2 3.55Å; L40-I43 HydrophobicContact CD1-CG2 4.49Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.39Å; I43-M54 HydrophobicContact CD1-CE 3.82Å; I43-V57 HydrophobicContact CD1-CB 4.08Å; I43-V57 HydrophobicContact CD1-CG1 3.67Å; I43-V57 WeakPolarHBondContact CD1-O 3.13Å; I43-V57 WeakPolarHBondContact CG1-O 3.35Å; I43-K58 PolarHBondContact N-O 3.37Å; I43-C60 HydrophobicContact CD1-CB 3.89Å |
| 44 | S | 94.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 48% | 0.483 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149 | 164.5 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | C26 | C26-S44 PolarHBondContact N-O 2.78Å; C26-S44 PolarHBondContact O-N 3.33Å |
| 45 | V | 92.8 | Very high | 92.4 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.8 | 176 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | L23 D47 Y51 M54 | L23-V45 HydrophobicContact CD1-CG1 3.59Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å; V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 2.88Å; V45-Y51 HydrophobicContact CG1-CD2 4.28Å; V45-M54 HydrophobicContact CB-CB 4.48Å; V45-M54 HydrophobicContact CG2-CB 3.45Å; V45-M54 VanDerWaalsContact CG2-CB 3.45Å; V45-M54 HydrophobicContact CG2-CE 4.14Å; V45-M54 HydrophobicContact CG2-CG 3.91Å |
| 46 | T | 86.3 | Confident | 92 | Very high | 88 Ų | 88 | 70 Ų | 70 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -64.1 | -37.5 | -177.6 | -44.2 | 0 | 0 | 0 | 0 | 112.3 | S24 P48 | S24-T46 PolarHBondContact O-N 2.89Å; T46-P48 VanDerWaalsContact O-CD 3.24Å; T46-P48 WeakPolarHBondContact O-CD 3.21Å |
| 47 | D | 87.6 | Confident | 91.7 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | trans | -116.2 | 75.9 | 179 | -68.3 | -34.8 | 0 | 0 | 0 | 112.1 | V45 E49 K50 Y51 | V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 2.88Å; D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.72Å; D47-K50 HydrophobicContact CB-CB 4.17Å; D47-K50 PolarHBondContact O-N 2.96Å; D47-Y51 HydrophobicContact CB-CD2 4.39Å; D47-Y51 WeakPolarHBondContact O-CD2 3.33Å; D47-Y51 PolarHBondContact O-N 3.38Å | ||
| 48 | P | 84.7 | Confident | 91.4 | Very high | 55 Ų | 55 | 75.8 Ų | 75.8 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.4 | -175.1 | 23 | -31.9 | 0 | 0 | 0 | 113.7 | T46 K50 Y51 P52 L55 | T46-P48 VanDerWaalsContact O-CD 3.24Å; T46-P48 WeakPolarHBondContact O-CD 3.21Å; P48-K50 VanDerWaalsContact C-N 3.34Å; P48-K50 PolarHBondContact O-N 2.93Å; P48-Y51 CarbonylContact O-C 3.52Å; P48-Y51 VanDerWaalsContact O-C 3.26Å; P48-Y51 PolarHBondContact O-N 3.29Å; P48-P52 WeakPolarHBondContact O-CA 3.38Å; P48-P52 VanDerWaalsContact O-N 3.16Å; P48-L55 HydrophobicContact CB-CD2 3.71Å |
| 49 | E | 87.8 | Confident | 91.3 | Very high | 190 Ų | 190 | 79.8 Ų | 79.8 | 89% | 0.888 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -34.9 | 179.3 | -62.7 | -170.7 | 160.6 | 0 | 0 | 112.5 | D47 | D47-E49 VanDerWaalsContact C-N 3.29Å; D47-E49 PolarHBondContact O-N 2.72Å |
| 50 | K | 89.1 | Confident | 91.1 | Very high | 128 Ų | 128 | 77.2 Ų | 77.2 | 56% | 0.557 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -27.6 | 178.1 | -171.2 | 177.7 | 174.8 | -161.9 | 0 | 111.9 | D47 P48 P52 | D47-K50 HydrophobicContact CB-CB 4.17Å; D47-K50 PolarHBondContact O-N 2.96Å; P48-K50 VanDerWaalsContact C-N 3.34Å; P48-K50 PolarHBondContact O-N 2.93Å; K50-P52 VanDerWaalsContact C-CD 3.44Å |
| 51 | Y | 88.6 | Confident | 91.1 | Very high | 28 Ų | 28 | 83.4 Ų | 83.4 | 11% | 0.11 | 44% | 0.443 | C | S | . | . | trans | -128.1 | 60.9 | -177.5 | -55.4 | -84.8 | 0 | 0 | 0 | 112.5 | N21 L23 V45 D47 P48 H53 M54 | N21-Y51 PolarHBondContact O-OH 3.15Å; L23-Y51 HydrophobicContact CB-CE1 4.16Å; L23-Y51 HydrophobicContact CB-CE2 4.47Å; L23-Y51 HydrophobicContact CD1-CD1 3.98Å; L23-Y51 HydrophobicContact CD1-CD2 3.61Å; L23-Y51 HydrophobicContact CD1-CE1 4.26Å; L23-Y51 HydrophobicContact CD1-CE2 3.89Å; L23-Y51 HydrophobicContact CD1-CG 3.67Å; V45-Y51 HydrophobicContact CG1-CD2 4.28Å; D47-Y51 HydrophobicContact CB-CD2 4.39Å; D47-Y51 WeakPolarHBondContact O-CD2 3.33Å; D47-Y51 PolarHBondContact O-N 3.38Å; P48-Y51 CarbonylContact O-C 3.52Å; P48-Y51 VanDerWaalsContact O-C 3.26Å; P48-Y51 PolarHBondContact O-N 3.29Å; Y51-H53 AromaticContact CD1-CE1 3.77Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.13Å; Y51-M54 PolarHBondContact O-N 3.01Å; Y51-M54 VanDerWaalsContact O-N 3.08Å | ||
| 52 | P | 90.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 82.5 Ų | 82.5 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -65.2 | -23.4 | -173.1 | 25.9 | -35.5 | 0 | 0 | 0 | 113.4 | P48 K50 M54 L55 | P48-P52 WeakPolarHBondContact O-CA 3.38Å; P48-P52 VanDerWaalsContact O-N 3.16Å; K50-P52 VanDerWaalsContact C-CD 3.44Å; P52-M54 PolarHBondContact O-N 2.85Å; P52-M54 VanDerWaalsContact O-N 3.17Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 WeakPolarHBondContact O-CG 3.42Å; P52-L55 PolarHBondContact O-N 3.4Å |
| 53 | H | 86 | Confident | 91.2 | Very high | 122 Ų | 122 | 84.6 Ų | 84.6 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -63.7 | -17 | 176.4 | 56 | -88 | 0 | 0 | 0 | 113.6 | Y51 | Y51-H53 AromaticContact CD1-CE1 3.77Å; Y51-H53 PolarHBondContact O-N 2.96Å; Y51-H53 VanDerWaalsContact O-N 3.13Å |
| 54 | M | 88.3 | Confident | 91.3 | Very high | 23 Ų | 23 | 84.4 Ų | 84.4 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -88 | -12.3 | 178.7 | -66.6 | -66 | -71.5 | 0 | 0 | 113.3 | I25 I43 V45 Y51 P52 S56 V57 | I25-M54 HydrophobicContact CD1-CE 3.94Å; I25-M54 HydrophobicContact CG1-CE 4.44Å; I43-M54 HydrophobicContact CD1-CE 3.82Å; V45-M54 HydrophobicContact CB-CB 4.48Å; V45-M54 HydrophobicContact CG2-CB 3.45Å; V45-M54 VanDerWaalsContact CG2-CB 3.45Å; V45-M54 HydrophobicContact CG2-CE 4.14Å; V45-M54 HydrophobicContact CG2-CG 3.91Å; Y51-M54 PolarHBondContact O-N 3.01Å; Y51-M54 VanDerWaalsContact O-N 3.08Å; P52-M54 PolarHBondContact O-N 2.85Å; P52-M54 VanDerWaalsContact O-N 3.17Å; M54-S56 PolarHBondContact O-N 2.99Å; M54-V57 WeakPolarHBondContact O-CB 3.16Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-V57 HydrophobicContact SD-CG2 4.39Å |
| 55 | L | 85 | Confident | 91.5 | Very high | 130 Ų | 130 | 84.1 Ų | 84.1 | 68% | 0.681 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -30.9 | -173.3 | -73.6 | 170.5 | 0 | 0 | 0 | 114.2 | P48 P52 | P48-L55 HydrophobicContact CB-CD2 3.71Å; P52-L55 HydrophobicContact CB-CD1 4.27Å; P52-L55 WeakPolarHBondContact O-CB 3.43Å; P52-L55 WeakPolarHBondContact O-CG 3.42Å; P52-L55 PolarHBondContact O-N 3.4Å |
| 56 | S | 89.3 | Confident | 91.7 | Very high | 109 Ų | 109 | 86 Ų | 86 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.5 | 178.2 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | M54 | M54-S56 PolarHBondContact O-N 2.99Š|
| 57 | V | 91.5 | Very high | 92.3 | Very high | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | trans | -89.3 | 118.8 | -173.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | I43 M54 N59 | I43-V57 HydrophobicContact CD1-CB 4.08Å; I43-V57 HydrophobicContact CD1-CG1 3.67Å; I43-V57 WeakPolarHBondContact CD1-O 3.13Å; I43-V57 WeakPolarHBondContact CG1-O 3.35Å; M54-V57 WeakPolarHBondContact O-CB 3.16Å; M54-V57 PolarHBondContact O-N 2.97Å; M54-V57 HydrophobicContact SD-CG2 4.39Å; V57-N59 WeakPolarHBondContact CG1-O 3.47Å | ||
| 58 | K | 92.7 | Very high | 92.8 | Very high | 151 Ų | 151 | 83.1 Ų | 83.1 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -96.2 | -28.6 | 176.7 | -64 | -169.5 | 176 | -169.9 | 0 | 113.7 | T41 D42 I43 | T41-K58 CarbonylContact C-O 3.56Å; D42-K58 WeakPolarHBondContact CA-O 2.94Å; D42-K58 PolarHBondContact N-O 3.19Å; I43-K58 PolarHBondContact N-O 3.37Å |
| 59 | N | 95 | Very high | 93.5 | Very high | 89 Ų | 89 | 87.3 Ų | 87.3 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | trans | -131.6 | 141 | -178.1 | -58.3 | -38.4 | 0 | 0 | 0 | 108.9 | L40 T41 D42 V57 | L40-N59 WeakPolarHBondContact O-CA 3.35Å; T41-N59 WeakPolarHBondContact CA-OD1 3.34Å; T41-N59 WeakPolarHBondContact CB-OD1 3.37Å; T41-N59 WeakPolarHBondContact CG2-OD1 3.23Å; D42-N59 PolarHBondContact N-OD1 3.1Å; V57-N59 WeakPolarHBondContact CG1-O 3.47Å | ||
| 60 | C | 95.5 | Very high | 94 | Very high | 29 Ų | 29 | 79.9 Ų | 79.9 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.8 | 179.9 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | K39 L40 I43 | K39-C60 WeakPolarHBondContact CA-O 3.42Å; L40-C60 PolarHBondContact N-O 3.16Å; L40-C60 PolarHBondContact O-N 3.19Å; I43-C60 HydrophobicContact CD1-CB 3.89Å |
| 61 | F | 97.9 | Very high | 94.4 | Very high | 129 Ų | 129 | 78.7 Ų | 78.7 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.9 | 165 | 175.4 | -94.9 | 0 | 0 | 0 | 108.7 | N37 | N37-F61 HydrophobicContact CB-CE2 3.7Å; N37-F61 HydrophobicContact CB-CZ 3.56Å |
| 62 | I | 98.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 79.9 Ų | 79.9 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.3 | -175.4 | -55.9 | 172.6 | 0 | 0 | 0 | 108.1 | V17 L19 I25 N37 I38 L40 G64 V66 V67 | V17-I62 HydrophobicContact CB-CD1 4.17Å; V17-I62 HydrophobicContact CG1-CD1 3.99Å; V17-I62 HydrophobicContact CG2-CD1 4.46Å; L19-I62 HydrophobicContact CD2-CG2 3.58Å; I25-I62 HydrophobicContact CD1-CD1 4.11Å; N37-I62 CarbonylContact C-O 3.26Å; N37-I62 WeakPolarHBondContact CA-O 3.46Å; I38-I62 HydrophobicContact CB-CB 4.48Å; I38-I62 PolarHBondContact N-O 2.93Å; I38-I62 PolarHBondContact O-N 3.44Å; L40-I62 HydrophobicContact CD1-CD1 4.01Å; L40-I62 HydrophobicContact CG-CD1 4.38Å; I62-G64 PolarHBondContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.03Å; I62-V67 HydrophobicContact CG2-CG2 3.75Å |
| 63 | R | 98.4 | Very high | 94.8 | Very high | 168 Ų | 168 | 78.2 Ų | 78.2 | 63% | 0.634 | 40% | 0.395 | S | S | * | . | trans | -70 | 126.9 | 174.2 | -170.4 | 179.6 | 178.2 | 172.1 | 0.2 | 109.7 | N37 S65 V66 | N37-R63 VanDerWaalsContact OD1-CA 3.3Å; N37-R63 WeakPolarHBondContact OD1-CA 3.5Å; R63-S65 WeakPolarHBondContact CD-OG 3.47Å; R63-S65 WeakPolarHBondContact CG-OG 3.31Å; R63-S65 PolarHBondContact NE-OG 3.06Å; R63-S65 PolarHBondContact O-N 2.85Å; R63-V66 HydrophobicContact CB-CG2 4.36Å; R63-V66 WeakPolarHBondContact O-CG2 3.43Å; R63-V66 PolarHBondContact O-N 2.86Å | ||
| 64 | G | 98 | Very high | 95.1 | Very high | 16 Ų | 16 | 76.7 Ų | 76.7 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -56 | -31.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L36 N37 I62 V66 V67 | L36-G64 VanDerWaalsContact O-CA 3.25Å; L36-G64 WeakPolarHBondContact O-CA 3.35Å; N37-G64 PolarHBondContact OD1-N 3.35Å; I62-G64 PolarHBondContact O-N 3.15Å; G64-V66 PolarHBondContact O-N 3.47Å; G64-V67 PolarHBondContact O-N 2.93Å |
| 65 | S | 98.3 | Very high | 95.4 | Very high | 64 Ų | 64 | 82.1 Ų | 82.1 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -66.7 | -18.5 | 179 | 65.4 | 0 | 0 | 0 | 0 | 115 | K20 R63 | K20-S65 WeakPolarHBondContact CE-O 3.49Å; K20-S65 PolarHBondContact NZ-O 2.91Å; R63-S65 WeakPolarHBondContact CD-OG 3.47Å; R63-S65 WeakPolarHBondContact CG-OG 3.31Å; R63-S65 PolarHBondContact NE-OG 3.06Å; R63-S65 PolarHBondContact O-N 2.85Å |
| 66 | V | 98.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 78.7 Ų | 78.7 | 38% | 0.376 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -97.1 | -7 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | L19 K20 I62 R63 G64 | L19-V66 WeakPolarHBondContact CA-O 3.39Å; L19-V66 HydrophobicContact CD2-CG2 4.26Å; K20-V66 WeakPolarHBondContact CG-O 3.42Å; K20-V66 PolarHBondContact N-O 3.31Å; I62-V66 HydrophobicContact CG2-CG2 4.03Å; R63-V66 HydrophobicContact CB-CG2 4.36Å; R63-V66 WeakPolarHBondContact O-CG2 3.43Å; R63-V66 PolarHBondContact O-N 2.86Å; G64-V66 PolarHBondContact O-N 3.47Å |
| 67 | V | 98.4 | Very high | 96.1 | Very high | 27 Ų | 27 | 74.9 Ų | 74.9 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135.9 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | V17 L19 I62 G64 V70 | V17-V67 HydrophobicContact CG1-CG1 3.97Å; V17-V67 HydrophobicContact CG1-CG2 3.96Å; L19-V67 HydrophobicContact CD2-CG2 4.33Å; I62-V67 HydrophobicContact CG2-CG2 3.75Å; G64-V67 PolarHBondContact O-N 2.93Å; V67-V70 HydrophobicContact CG1-CG2 3.82Å |
| 68 | R | 98.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 77.1 Ų | 77.1 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -53 | 169.8 | -172.5 | -171.3 | -66.4 | 154.1 | -4.8 | 110.1 | E18 K20 D22 | E18-R68 WeakPolarHBondContact O-CA 3.24Å; E18-R68 PolarHBondContact O-N 2.98Å; E18-R68 IonicContact OE1-CZ 2.75Å; E18-R68 IonicContact OE1-NH1 2.68Å; E18-R68 PolarHBondContact OE1-NH1 3.39Å; K20-R68 HydrophobicContact CG-CB 4.13Å; K20-R68 PolarHBondContact O-NH2 2.92Å; D22-R68 IonicContact OD1-CZ 3.83Å; D22-R68 IonicContact OD1-NH1 2.87Å; D22-R68 PolarHBondContact OD1-NH1 2.91Å; D22-R68 IonicContact OD1-NH2 2.75Å; D22-R68 PolarHBondContact OD1-NH2 3.44Å |
| 69 | Y | 98.4 | Very high | 96.6 | Very high | 142 Ų | 142 | 73.9 Ų | 73.9 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 153 | 179.8 | -59 | -56.8 | 0 | 0 | 0 | 111.8 | E18 | E18-Y69 PolarHBondContact N-O 2.83Å; E18-Y69 PolarHBondContact O-N 2.85Å |
| 70 | V | 98.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 76.4 Ų | 76.4 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 115.1 | 165.1 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | F7 V15 V16 V17 I38 V67 L72 | F7-V70 HydrophobicContact CE1-CB 4.2Å; F7-V70 HydrophobicContact CE1-CG1 4.08Å; F7-V70 HydrophobicContact CE1-CG2 4.22Å; F7-V70 HydrophobicContact CZ-CB 4.33Å; F7-V70 HydrophobicContact CZ-CG2 4.08Å; V15-V70 HydrophobicContact CB-CG1 4.16Å; V15-V70 HydrophobicContact CG2-CG1 4.5Å; V16-V70 CarbonylContact O-C 3.58Å; V16-V70 WeakPolarHBondContact O-CA 3.36Å; V17-V70 HydrophobicContact CG2-CG1 4.32Å; V17-V70 HydrophobicContact CG2-CG2 4.41Å; I38-V70 HydrophobicContact CD1-CG2 4.11Å; V67-V70 HydrophobicContact CG1-CG2 3.82Å; V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.33Å |
| 71 | Q | 97.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 80.6 Ų | 80.6 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.4 | 175.2 | -47.8 | 178.1 | 7.2 | 0 | 0 | 108.4 | V16 | V16-Q71 HydrophobicContact CB-CB 4.05Å; V16-Q71 HydrophobicContact CB-CG 4.27Å; V16-Q71 PolarHBondContact N-O 3.35Å; V16-Q71 VanDerWaalsContact N-O 3.15Å; V16-Q71 PolarHBondContact O-N 2.78Å |
| 72 | L | 96.6 | Very high | 96.7 | Very high | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | trans | -127.4 | 148 | -170.9 | -58.3 | 175.9 | 0 | 0 | 0 | 110.1 | F6 L10 V15 V70 V77 | F6-L72 HydrophobicContact CE1-CD1 3.63Å; F6-L72 HydrophobicContact CZ-CD1 3.65Å; L10-L72 HydrophobicContact CD1-CD1 3.75Å; L10-L72 HydrophobicContact CD1-CD2 3.78Å; L10-L72 HydrophobicContact CD1-CG 4.38Å; V15-L72 HydrophobicContact CB-CD2 4.2Å; V15-L72 HydrophobicContact CG1-CD2 3.49Å; V15-L72 VanDerWaalsContact CG1-CD2 3.49Å; V70-L72 HydrophobicContact CG1-CD2 3.66Å; V70-L72 HydrophobicContact CG1-CG 4.33Å; L72-V77 HydrophobicContact CB-CG2 4.49Å; L72-V77 HydrophobicContact CD1-CG2 4.35Å | ||
| 73 | P | 89.9 | Confident | 96.7 | Very high | 43 Ų | 43 | 81.5 Ų | 81.5 | 28% | 0.279 | 43% | 0.425 | S | S | . | . | trans | -63.9 | 133.8 | 167 | -11.8 | 26.3 | 0 | 0 | 0 | 109.9 | D75 E76 | P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 WeakPolarHBondContact CB-OD1 3.48Å; P73-D75 PolarHBondContact O-N 2.92Å; P73-E76 HydrophobicContact CB-CB 4.37Å; P73-E76 HydrophobicContact CB-CG 3.86Å; P73-E76 HydrophobicContact CG-CG 3.96Å; P73-E76 PolarHBondContact O-N 3.28Å | ||
| 74 | A | 93.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 77.2 Ų | 77.2 | 74% | 0.744 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -68.6 | -29.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E76 V77 | A74-E76 PolarHBondContact O-N 2.96Å; A74-V77 PolarHBondContact O-N 2.97Å |
| 75 | D | 95.2 | Very high | 96.6 | Very high | 136 Ų | 136 | 78 Ų | 78 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -67.2 | -21.6 | 176.3 | 53.7 | -40.2 | 0 | 0 | 0 | 113.5 | P73 V77 | P73-D75 VanDerWaalsContact C-N 3.28Å; P73-D75 WeakPolarHBondContact CB-OD1 3.48Å; P73-D75 PolarHBondContact O-N 2.92Å; D75-V77 VanDerWaalsContact C-N 3.31Å |
| 76 | E | 93.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 76.9 Ų | 76.9 | 28% | 0.276 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -87.9 | 1.7 | 177.5 | -61.5 | -66.3 | 171 | 0 | 0 | 112.9 | L10 K13 P73 A74 | L10-E76 HydrophobicContact CD2-CB 3.79Å; K13-E76 VanDerWaalsContact CD-CD 3.5Å; K13-E76 HydrophobicContact CD-CG 4.21Å; K13-E76 WeakPolarHBondContact CD-OE1 3.25Å; K13-E76 WeakPolarHBondContact CD-OE2 3.46Å; K13-E76 WeakPolarHBondContact CE-OE1 3.5Å; K13-E76 WeakPolarHBondContact CE-OE2 3.39Å; K13-E76 HydrophobicContact CG-CG 4.28Å; K13-E76 IonicContact NZ-OE1 3.18Å; K13-E76 PolarHBondContact NZ-OE1 3.29Å; K13-E76 IonicContact NZ-OE2 2.81Å; K13-E76 PolarHBondContact NZ-OE2 3.2Å; P73-E76 HydrophobicContact CB-CB 4.37Å; P73-E76 HydrophobicContact CB-CG 3.86Å; P73-E76 HydrophobicContact CG-CG 3.96Å; P73-E76 PolarHBondContact O-N 3.28Å; A74-E76 PolarHBondContact O-N 2.96Å |
| 77 | V | 96 | Very high | 96.4 | Very high | 29 Ų | 29 | 80.6 Ų | 80.6 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | trans | -122.6 | 106.7 | -174.2 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | F6 L72 A74 D75 T79 L82 | F6-V77 HydrophobicContact CE2-CG1 4.07Å; F6-V77 HydrophobicContact CE2-CG2 4.21Å; F6-V77 HydrophobicContact CZ-CG1 4.31Å; F6-V77 HydrophobicContact CZ-CG2 3.96Å; L72-V77 HydrophobicContact CB-CG2 4.49Å; L72-V77 HydrophobicContact CD1-CG2 4.35Å; A74-V77 PolarHBondContact O-N 2.97Å; D75-V77 VanDerWaalsContact C-N 3.31Å; V77-T79 HydrophobicContact CG1-CG2 4.46Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact O-N 3.16Å; V77-L82 HydrophobicContact CG1-CD2 4.38Å | ||
| 78 | D | 96.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 85.9 Ų | 85.9 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | trans | -75.5 | 102 | 166.4 | -173.6 | -26.3 | 0 | 0 | 0 | 110.3 | Q80 L81 L82 | D78-Q80 VanDerWaalsContact C-N 3.32Å; D78-Q80 PolarHBondContact O-N 3.46Å; D78-Q80 WeakPolarHBondContact OD1-CA 3.45Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.19Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; D78-L81 HydrophobicContact CB-CB 4Å; D78-L81 PolarHBondContact O-N 2.85Å; D78-L81 PolarHBondContact OD1-N 3.22Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 PolarHBondContact O-N 3.21Å | ||
| 79 | T | 96.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 83 Ų | 83 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68 | -27.7 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | V77 Q83 | V77-T79 HydrophobicContact CG1-CG2 4.46Å; V77-T79 PolarHBondContact O-N 3.28Å; V77-T79 VanDerWaalsContact O-N 3.16Å; T79-Q83 WeakPolarHBondContact O-CB 3.41Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.04Å; T79-Q83 PolarHBondContact O-NE2 3.42Å |
| 80 | Q | 97.3 | Very high | 95.9 | Very high | 142 Ų | 142 | 78.5 Ų | 78.5 | 66% | 0.664 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.3 | -47.4 | 177.3 | -66.6 | -175 | -7.7 | 0 | 0 | 109.9 | D78 L82 Q83 D84 | D78-Q80 VanDerWaalsContact C-N 3.32Å; D78-Q80 PolarHBondContact O-N 3.46Å; D78-Q80 WeakPolarHBondContact OD1-CA 3.45Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.19Å; D78-Q80 PolarHBondContact OD1-N 2.88Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.22Å; Q80-Q83 PolarHBondContact O-N 2.81Å; Q80-D84 PolarHBondContact O-N 2.92Å |
| 81 | L | 96.9 | Very high | 95.8 | Very high | 117 Ų | 117 | 83.4 Ų | 83.4 | 61% | 0.613 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 175.5 | -177.8 | 63.9 | 0 | 0 | 0 | 111.4 | D78 D84 A85 | D78-L81 HydrophobicContact CB-CB 4Å; D78-L81 PolarHBondContact O-N 2.85Å; D78-L81 PolarHBondContact OD1-N 3.22Å; L81-D84 PolarHBondContact O-N 2.75Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.3Å; L81-A85 PolarHBondContact O-N 3.19Å |
| 82 | L | 97.1 | Very high | 95.4 | Very high | 55 Ų | 55 | 84.4 Ų | 84.4 | 29% | 0.288 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 179.3 | -172.1 | 63.6 | 0 | 0 | 0 | 112.2 | F6 V77 D78 Q80 A86 | F6-L82 HydrophobicContact CD2-CD1 4.09Å; F6-L82 HydrophobicContact CE2-CD1 4.43Å; V77-L82 HydrophobicContact CG1-CD2 4.38Å; D78-L82 WeakPolarHBondContact O-CB 3.48Å; D78-L82 PolarHBondContact O-N 3.21Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.22Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.94Å |
| 83 | Q | 97.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 88.6 Ų | 88.6 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.1 | -75.5 | 172.2 | 40.5 | 0 | 0 | 111.8 | T79 Q80 A86 R87 | T79-Q83 WeakPolarHBondContact O-CB 3.41Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.04Å; T79-Q83 PolarHBondContact O-NE2 3.42Å; Q80-Q83 PolarHBondContact O-N 2.81Å; Q83-A86 PolarHBondContact O-N 3.44Å; Q83-R87 WeakPolarHBondContact O-CG 3.42Å; Q83-R87 PolarHBondContact O-N 2.82Å; Q83-R87 VanDerWaalsContact O-N 3.09Å |
| 84 | D | 96.9 | Very high | 94.2 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | -179.1 | -76.9 | -9.9 | 0 | 0 | 0 | 111.9 | Q80 L81 A86 R87 K88 | Q80-D84 PolarHBondContact O-N 2.92Å; L81-D84 PolarHBondContact O-N 2.75Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-A86 PolarHBondContact O-N 2.81Å; D84-R87 PolarHBondContact O-N 2.68Å; D84-R87 IonicContact OD1-CZ 2.69Å; D84-R87 IonicContact OD1-NH1 3.78Å; D84-R87 PolarHBondContact OD1-NH1 3.18Å; D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.97Å; D84-K88 VanDerWaalsContact O-N 3.17Å |
| 85 | A | 96.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 102 Ų | 102 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2 L81 K88 E89 | L2-A85 HydrophobicContact CD1-CB 3.37Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.3Å; L81-A85 PolarHBondContact O-N 3.19Å; A85-K88 PolarHBondContact O-N 3.13Å; A85-E89 WeakPolarHBondContact O-CB 3.08Å; A85-E89 PolarHBondContact O-N 3.08Å |
| 86 | A | 97.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 100.3 Ų | 100.3 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2 L82 Q83 D84 K88 E89 A90 | L2-A86 HydrophobicContact CD2-CB 4.09Å; L82-A86 VanDerWaalsContact O-CB 3.28Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.94Å; Q83-A86 PolarHBondContact O-N 3.44Å; D84-A86 VanDerWaalsContact C-N 3.34Å; D84-A86 PolarHBondContact O-N 2.81Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.79Å; A86-E89 PolarHBondContact O-N 3.26Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.73Å |
| 87 | R | 96.2 | Very high | 92.4 | Very high | 140 Ų | 140 | 102.5 Ų | 102.5 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.7 | -68.1 | 179.4 | -159.2 | 127.9 | 5.8 | 111.4 | Q83 D84 M91 | Q83-R87 WeakPolarHBondContact O-CG 3.42Å; Q83-R87 PolarHBondContact O-N 2.82Å; Q83-R87 VanDerWaalsContact O-N 3.09Å; D84-R87 PolarHBondContact O-N 2.68Å; D84-R87 IonicContact OD1-CZ 2.69Å; D84-R87 IonicContact OD1-NH1 3.78Å; D84-R87 PolarHBondContact OD1-NH1 3.18Å; R87-M91 WeakPolarHBondContact O-CG 3.17Å; R87-M91 PolarHBondContact O-N 3.42Å |
| 88 | K | 95.3 | Very high | 92.2 | Very high | 138 Ų | 138 | 106.6 Ų | 106.6 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -47.8 | 178.5 | -70.5 | 174.6 | -177.6 | 173.6 | 0 | 112 | D84 A85 A86 A90 M91 Q92 | D84-K88 WeakPolarHBondContact O-CG 3.4Å; D84-K88 PolarHBondContact O-N 2.97Å; D84-K88 VanDerWaalsContact O-N 3.17Å; A85-K88 PolarHBondContact O-N 3.13Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-K88 PolarHBondContact O-N 2.79Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 2.99Å; K88-M91 PolarHBondContact O-N 3.32Å; K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.36Å; K88-Q92 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 95.3 | Very high | 91.9 | Very high | 31 Ų | 31 | 107.2 Ų | 107.2 | 15% | 0.145 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.7 | 178.4 | 85.9 | -158.1 | 0 | 0 | 111.3 | M1 L2 A85 A86 M91 Q92 Q93 | M1-E89 PolarHBondContact N-OE1 3.28Å; M1-E89 PolarHBondContact N-OE2 3.05Å; L2-E89 HydrophobicContact CB-CB 4.29Å; L2-E89 HydrophobicContact CB-CG 3.96Å; L2-E89 PolarHBondContact N-OE2 3.28Å; A85-E89 WeakPolarHBondContact O-CB 3.08Å; A85-E89 PolarHBondContact O-N 3.08Å; A86-E89 PolarHBondContact O-N 3.26Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.18Å; E89-Q92 PolarHBondContact O-N 2.78Å; E89-Q93 HydrophobicContact CG-CG 4.48Å; E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.48Å; E89-Q93 PolarHBondContact OE1-NE2 3.3Å |
| 90 | A | 95 | Very high | 91.6 | Very high | 48 Ų | 48 | 108.7 Ų | 108.7 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -30.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A86 K88 K94 | A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.73Å; K88-A90 VanDerWaalsContact C-N 3.34Å; K88-A90 PolarHBondContact O-N 2.99Å; A90-K94 WeakPolarHBondContact O-CG 3.36Å |
| 91 | M | 94.1 | Very high | 91.3 | Very high | 139 Ų | 139 | 106.5 Ų | 106.5 | 69% | 0.685 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.3 | -39.6 | 172.1 | -69.8 | 178.2 | -177.6 | 0 | 0 | 111.5 | R87 K88 E89 K94 | R87-M91 WeakPolarHBondContact O-CG 3.17Å; R87-M91 PolarHBondContact O-N 3.42Å; K88-M91 PolarHBondContact O-N 3.32Å; E89-M91 VanDerWaalsContact C-N 3.31Å; E89-M91 PolarHBondContact O-N 3.18Å; M91-K94 PolarHBondContact O-N 2.86Å |
| 92 | Q | 91 | Very high | 90.9 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 179.2 | -70.7 | 172.7 | 1.6 | 0 | 0 | 112.8 | K88 E89 K94 Q95 | K88-Q92 WeakPolarHBondContact O-CG 3.38Å; K88-Q92 PolarHBondContact O-N 3.36Å; K88-Q92 VanDerWaalsContact O-N 3.1Å; E89-Q92 PolarHBondContact O-N 2.78Å; Q92-K94 PolarHBondContact O-N 3.17Å; Q92-Q95 PolarHBondContact O-N 3.3Å |
| 93 | Q | 83.1 | Confident | 90.4 | Very high | 141 Ų | 141 | 109.6 Ų | 109.6 | 66% | 0.659 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.6 | 179.2 | -75.1 | -176.7 | 11.1 | 0 | 0 | 114.3 | E89 | E89-Q93 HydrophobicContact CG-CG 4.48Å; E89-Q93 WeakPolarHBondContact O-CG 3.38Å; E89-Q93 PolarHBondContact O-N 3.48Å; E89-Q93 PolarHBondContact OE1-NE2 3.3Å |
| 94 | K | 77.4 | Confident | 89.8 | Confident | 185 Ų | 185 | 110.5 Ų | 110.5 | 80% | 0.804 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.6 | 179.9 | -73.3 | -179.7 | 178.5 | -175.2 | 0 | 113.5 | A90 M91 Q92 | A90-K94 WeakPolarHBondContact O-CG 3.36Å; M91-K94 PolarHBondContact O-N 2.86Å; Q92-K94 PolarHBondContact O-N 3.17Å |
| 95 | Q | 59.3 | Low | 89.1 | Confident | 229 Ų | 229 | 113.5 Ų | 113.5 | 100% | 1.07 | 55% | 0.552 | S | S | * | * | trans | -89 | 0 | 172.6 | -74.7 | -177.7 | -7.1 | 0 | 0 | 110 | Q92 | Q92-Q95 PolarHBondContact O-N 3.3Š|
Retrieved 95 of 95 residues in 63.9 ms
(Link to these results)