| 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 | 91 | Very high | 93.9 | Very high | 84 Ų | 84 | 55.6 Ų | 55.6 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | 0 | 140.8 | 0 | -169.9 | 168.5 | -73.3 | 0 | 0 | 109.3 | Y3 P84 H121 C122 A124 | M1-Y3 HydrophobicContact CB-CE1 4.47Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 HydrophobicContact CG-CE1 4.12Å; M1-Y3 WeakPolarHBondContact O-CE2 3.31Å; M1-Y3 HydrophobicContact SD-CE1 4.01Å; M1-P84 HydrophobicContact CG-CB 4.25Å; M1-P84 HydrophobicContact SD-CB 3.6Å; M1-H121 HydrophobicContact CE-CB 4.09Å; M1-C122 CarbonylContact C-O 3.42Å; M1-C122 WeakPolarHBondContact CA-O 3.46Å; M1-A124 VanDerWaalsContact N-CB 3.31Å | |||
| 2 | V | 94.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -90.1 | 141.2 | 174 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | C38 L40 V85 C122 E123 | V2-C38 CarbonylContact C-O 3.56Å; V2-C38 VanDerWaalsContact CA-O 3.27Å; V2-C38 WeakPolarHBondContact CA-O 3.37Å; V2-L40 HydrophobicContact CG1-CB 4Å; V2-V85 HydrophobicContact CB-CB 4.18Å; V2-V85 HydrophobicContact CB-CG2 4.46Å; V2-V85 HydrophobicContact CG1-CB 4.13Å; V2-V85 HydrophobicContact CG1-CG2 3.97Å; V2-V85 PolarHBondContact O-N 3.29Å; V2-C122 HydrophobicContact CB-CB 3.9Å; V2-C122 HydrophobicContact CG2-CB 3.72Å; V2-C122 PolarHBondContact N-O 2.85Å; V2-E123 VanDerWaalsContact CG2-O 3.25Å; V2-E123 WeakPolarHBondContact CG2-O 3.21Å | ||
| 3 | Y | 97.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 52 Ų | 52 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.3 | 179.8 | -58.2 | -76.5 | 0 | 0 | 0 | 112.2 | M1 Y5 C38 D39 L40 W82 I83 P84 | M1-Y3 HydrophobicContact CB-CE1 4.47Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 HydrophobicContact CG-CE1 4.12Å; M1-Y3 WeakPolarHBondContact O-CE2 3.31Å; M1-Y3 HydrophobicContact SD-CE1 4.01Å; Y3-Y5 PolarHBondContact O-N 3.08Å; Y3-C38 PolarHBondContact N-O 2.87Å; Y3-D39 CarbonylContact O-C 3.55Å; Y3-D39 WeakPolarHBondContact O-CA 3.37Å; Y3-L40 PolarHBondContact O-N 2.83Å; Y3-W82 HydrophobicContact CD1-CB 3.6Å; Y3-W82 HydrophobicContact CD1-CG 4.47Å; Y3-W82 HydrophobicContact CE1-CB 4.18Å; Y3-W82 HydrophobicContact CG-CB 4Å; Y3-I83 WeakPolarHBondContact CA-O 3.28Å; Y3-P84 HydrophobicContact CD1-CB 4.47Å |
| 4 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.1 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | R12 L13 I19 V42 I83 V85 M187 | V4-R12 VanDerWaalsContact O-CA 3.29Å; V4-R12 WeakPolarHBondContact O-CA 3.34Å; V4-L13 HydrophobicContact CG1-CD1 3.87Å; V4-L13 HydrophobicContact CG1-CG 4.25Å; V4-L13 PolarHBondContact O-N 3Å; V4-I19 HydrophobicContact CG2-CD1 4.15Å; V4-V42 HydrophobicContact CG1-CG1 4.28Å; V4-V42 HydrophobicContact CG1-CG2 3.63Å; V4-I83 HydrophobicContact CB-CB 4.27Å; V4-I83 HydrophobicContact CG2-CB 4.01Å; V4-I83 HydrophobicContact CG2-CG2 3.86Å; V4-I83 PolarHBondContact N-O 2.8Å; V4-V85 HydrophobicContact CG2-CG2 3.92Å; V4-M187 HydrophobicContact CG1-SD 4.43Å; V4-M187 HydrophobicContact CG2-CB 3.56Å; V4-M187 HydrophobicContact CG2-CG 4.45Å; V4-M187 HydrophobicContact CG2-SD 4.08Å |
| 5 | Y | 96.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 52 Ų | 52 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.9 | 176.3 | -175 | -78.6 | 0 | 0 | 0 | 109.8 | Y3 Q10 R12 D39 L40 V41 V42 | Y3-Y5 PolarHBondContact O-N 3.08Å; Y5-Q10 WeakPolarHBondContact OH-CA 3.45Å; Y5-Q10 PolarHBondContact OH-O 3.42Å; Y5-Q10 PolarHBondContact OH-OE1 3.46Å; Y5-R12 HydrophobicContact CD2-CG 4.21Å; Y5-D39 HydrophobicContact CG-CB 4.49Å; Y5-L40 PolarHBondContact N-O 3.32Å; Y5-V41 HydrophobicContact CD1-CG1 4.24Å; Y5-V41 HydrophobicContact CD1-CG2 4.13Å; Y5-V41 CarbonylContact O-C 3.58Å; Y5-V41 VanDerWaalsContact O-CA 3.31Å; Y5-V41 WeakPolarHBondContact O-CA 3.14Å; Y5-V42 PolarHBondContact O-N 3.03Å |
| 6 | S | 95 | Very high | 94 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.5 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | K8 F9 Q10 R11 | S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3Å; S6-K8 PolarHBondContact OG-N 3.19Å; S6-F9 PolarHBondContact O-N 3.26Å; S6-F9 WeakPolarHBondContact OG-CD2 3.12Å; S6-F9 PolarHBondContact OG-N 3.33Å; S6-Q10 WeakPolarHBondContact O-CA 3.15Å; S6-Q10 PolarHBondContact O-N 3.2Å; S6-R11 PolarHBondContact N-O 2.88Å |
| 7 | S | 91.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -35.8 | 171.3 | 52 | 0 | 0 | 0 | 0 | 111.7 | F9 Q10 V42 G43 D45 | S7-F9 PolarHBondContact O-N 3.17Å; S7-Q10 PolarHBondContact O-NE2 3.18Å; S7-V42 PolarHBondContact N-O 3.2Å; S7-V42 PolarHBondContact OG-O 3.46Å; S7-V42 VanDerWaalsContact OG-O 3.08Å; S7-G43 WeakPolarHBondContact OG-CA 3.35Å; S7-D45 VanDerWaalsContact CB-OD1 3.31Å; S7-D45 WeakPolarHBondContact CB-OD1 3.42Å; S7-D45 PolarHBondContact OG-OD1 3.45Å |
| 8 | K | 90.2 | Very high | 93.9 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -44 | 175.4 | 177.9 | -178.1 | 175.4 | -174.3 | 0 | 113.4 | S6 A22 | S6-K8 VanDerWaalsContact C-N 3.28Å; S6-K8 PolarHBondContact O-N 3Å; S6-K8 PolarHBondContact OG-N 3.19Å; K8-A22 PolarHBondContact NZ-O 3.37Å |
| 9 | F | 92.6 | Very high | 94 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -7.9 | -177.2 | -62.9 | -63.5 | 0 | 0 | 0 | 114.3 | S6 S7 R11 L13 A22 | S6-F9 PolarHBondContact O-N 3.26Å; S6-F9 WeakPolarHBondContact OG-CD2 3.12Å; S6-F9 PolarHBondContact OG-N 3.33Å; S7-F9 PolarHBondContact O-N 3.17Å; F9-R11 VanDerWaalsContact C-N 3.26Å; F9-R11 HydrophobicContact CB-CG 3.9Å; F9-R11 PolarHBondContact O-N 3.41Å; F9-L13 HydrophobicContact CD2-CD2 4.34Å; F9-A22 HydrophobicContact CE2-CB 3.98Å; F9-A22 WeakPolarHBondContact CE2-O 3.25Å |
| 10 | Q | 92.8 | Very high | 94.1 | Very high | 126 Ų | 126 | 45.9 Ų | 45.9 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 41.6 | -177.1 | -61.1 | -72 | -49.8 | 0 | 0 | 112.8 | Y5 S6 S7 | Y5-Q10 WeakPolarHBondContact OH-CA 3.45Å; Y5-Q10 PolarHBondContact OH-O 3.42Å; Y5-Q10 PolarHBondContact OH-OE1 3.46Å; S6-Q10 WeakPolarHBondContact O-CA 3.15Å; S6-Q10 PolarHBondContact O-N 3.2Å; S7-Q10 PolarHBondContact O-NE2 3.18Å |
| 11 | R | 95.1 | Very high | 94.1 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 165 | 176.6 | 63.4 | 170.8 | 179.5 | 82.3 | -1.5 | 112 | S6 F9 E17 | S6-R11 PolarHBondContact N-O 2.88Å; F9-R11 VanDerWaalsContact C-N 3.26Å; F9-R11 HydrophobicContact CB-CG 3.9Å; F9-R11 PolarHBondContact O-N 3.41Å; R11-E17 IonicContact CZ-OE1 3.78Å; R11-E17 IonicContact CZ-OE2 3.57Å; R11-E17 IonicContact NH1-OE1 3.2Å; R11-E17 IonicContact NH1-OE2 3.03Å; R11-E17 PolarHBondContact NH1-OE2 3.06Å; R11-E17 IonicContact NH2-OE1 2.67Å; R11-E17 PolarHBondContact NH2-OE1 3.02Å; R11-E17 IonicContact NH2-OE2 2.6Å; R11-E17 PolarHBondContact NH2-OE2 3.12Å |
| 12 | R | 96.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 24% | 0.242 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 140.7 | 165 | -68.8 | 179.4 | -179 | 165.6 | 6.4 | 110.7 | V4 Y5 D39 W82 | V4-R12 VanDerWaalsContact O-CA 3.29Å; V4-R12 WeakPolarHBondContact O-CA 3.34Å; Y5-R12 HydrophobicContact CD2-CG 4.21Å; R12-D39 WeakPolarHBondContact CG-OD1 3.48Å; R12-D39 IonicContact CZ-OD1 3.36Å; R12-D39 IonicContact CZ-OD2 3.7Å; R12-D39 IonicContact NE-OD1 2.69Å; R12-D39 PolarHBondContact NE-OD1 3.23Å; R12-D39 IonicContact NE-OD2 3.63Å; R12-D39 IonicContact NH2-OD1 3.22Å; R12-D39 PolarHBondContact NH2-OD1 3.18Å; R12-D39 IonicContact NH2-OD2 2.88Å; R12-D39 PolarHBondContact NH2-OD2 3.43Å; R12-W82 HydrophobicContact CB-CB 4.48Å; R12-W82 HydrophobicContact CB-CD2 3.74Å; R12-W82 HydrophobicContact CB-CE3 3.66Å; R12-W82 HydrophobicContact CB-CG 4.1Å; R12-W82 HydrophobicContact CB-CZ3 4.13Å |
| 13 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 134 | 171.3 | -63.8 | -173.6 | 0 | 0 | 0 | 109.9 | V4 F9 I19 A22 W82 I83 | V4-L13 HydrophobicContact CG1-CD1 3.87Å; V4-L13 HydrophobicContact CG1-CG 4.25Å; V4-L13 PolarHBondContact O-N 3Å; F9-L13 HydrophobicContact CD2-CD2 4.34Å; L13-I19 HydrophobicContact CD1-CB 4.4Å; L13-I19 HydrophobicContact CD1-CG1 4.3Å; L13-I19 HydrophobicContact CD1-CG2 4.31Å; L13-A22 HydrophobicContact CD1-CB 3.96Å; L13-A22 HydrophobicContact CD2-CB 3.94Å; L13-W82 WeakPolarHBondContact O-CA 3.46Å; L13-I83 HydrophobicContact CB-CD1 3.76Å; L13-I83 HydrophobicContact CB-CG1 4.4Å; L13-I83 PolarHBondContact O-N 2.83Å; L13-I83 VanDerWaalsContact O-N 3.14Å |
| 14 | E | 94.6 | Very high | 93.9 | Very high | 97 Ų | 97 | 42.6 Ų | 42.6 | 45% | 0.453 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -73.2 | 150.1 | 177.5 | -66.3 | -177.7 | -175.9 | 0 | 0 | 110.5 | Q16 E17 K81 W82 I83 | E14-Q16 PolarHBondContact O-N 3.03Å; E14-E17 HydrophobicContact CB-CG 4.1Å; E14-E17 WeakPolarHBondContact CB-OE2 3.22Å; E14-E17 PolarHBondContact N-OE2 3.22Å; E14-E17 WeakPolarHBondContact O-CB 3.12Å; E14-E17 PolarHBondContact O-N 2.66Å; E14-K81 WeakPolarHBondContact CA-O 3.41Å; E14-W82 HydrophobicContact CG-CE3 4.02Å; E14-W82 HydrophobicContact CG-CZ3 3.52Å; E14-I83 WeakPolarHBondContact O-CG1 3.28Å |
| 15 | F | 93 | Very high | 93.6 | Very high | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26 | -177.3 | -179.8 | -89.4 | 0 | 0 | 0 | 114.7 | F64 C79 P80 K81 H185 | F15-F64 HydrophobicContact CD1-CE1 4.34Å; F15-F64 HydrophobicContact CD1-CZ 4.49Å; F15-F64 HydrophobicContact CE1-CE1 4.1Å; F15-F64 AromaticContact CE1-CZ 3.92Å; F15-F64 HydrophobicContact CE1-CZ 3.92Å; F15-F64 HydrophobicContact CZ-CZ 4.14Å; F15-F64 WeakPolarHBondContact O-CE1 3.31Å; F15-C79 HydrophobicContact CD1-CB 3.54Å; F15-C79 HydrophobicContact CE1-CB 3.73Å; F15-C79 HydrophobicContact CG-CB 4.08Å; F15-C79 HydrophobicContact CZ-CB 4.41Å; F15-P80 WeakPolarHBondContact CB-O 3.49Å; F15-P80 HydrophobicContact CD2-CB 3.88Å; F15-P80 HydrophobicContact CD2-CG 3.86Å; F15-P80 HydrophobicContact CE2-CB 4.39Å; F15-P80 HydrophobicContact CE2-CG 3.85Å; F15-K81 PolarHBondContact N-O 3.41Å; F15-K81 VanDerWaalsContact N-O 3.14Å; F15-H185 HydrophobicContact CD2-CB 3.65Å; F15-H185 HydrophobicContact CE1-CB 4.42Å; F15-H185 HydrophobicContact CE2-CB 3.34Å; F15-H185 HydrophobicContact CG-CB 4.32Å; F15-H185 HydrophobicContact CZ-CB 3.78Å; F15-H185 PolarHBondContact O-ND1 3.48Å |
| 16 | Q | 89.8 | Confident | 93.1 | Very high | 85 Ų | 85 | 51 Ų | 51 | 40% | 0.397 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.5 | -179.3 | -61.6 | -174.9 | 5.1 | 0 | 0 | 113.8 | E14 | E14-Q16 PolarHBondContact O-N 3.03Š|
| 17 | E | 92.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -88.2 | 134.3 | 179.5 | -64.3 | -178.4 | 101.9 | 0 | 0 | 110.1 | R11 E14 I83 H185 | R11-E17 IonicContact CZ-OE1 3.78Å; R11-E17 IonicContact CZ-OE2 3.57Å; R11-E17 IonicContact NH1-OE1 3.2Å; R11-E17 IonicContact NH1-OE2 3.03Å; R11-E17 PolarHBondContact NH1-OE2 3.06Å; R11-E17 IonicContact NH2-OE1 2.67Å; R11-E17 PolarHBondContact NH2-OE1 3.02Å; R11-E17 IonicContact NH2-OE2 2.6Å; R11-E17 PolarHBondContact NH2-OE2 3.12Å; E14-E17 HydrophobicContact CB-CG 4.1Å; E14-E17 WeakPolarHBondContact CB-OE2 3.22Å; E14-E17 PolarHBondContact N-OE2 3.22Å; E14-E17 WeakPolarHBondContact O-CB 3.12Å; E14-E17 PolarHBondContact O-N 2.66Å; E17-I83 WeakPolarHBondContact O-CD1 3.32Å; E17-H185 PolarHBondContact O-CE1 3.27Å |
| 18 | S | 94.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | trans | -70.8 | 134.1 | 167.2 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | M20 D21 A22 F64 E164 | S18-M20 PolarHBondContact OG-N 3.5Å; S18-D21 VanDerWaalsContact CB-OD2 3.25Å; S18-D21 WeakPolarHBondContact CB-OD2 3.4Å; S18-D21 PolarHBondContact OG-N 3.16Å; S18-A22 WeakPolarHBondContact O-CB 3.26Å; S18-A22 PolarHBondContact O-N 2.69Å; S18-F64 WeakPolarHBondContact CB-O 3.31Å; S18-E164 WeakPolarHBondContact CA-OE1 3.35Å; S18-E164 VanDerWaalsContact CB-OE1 3.24Å; S18-E164 WeakPolarHBondContact CB-OE1 3.32Å; S18-E164 VanDerWaalsContact OG-CD 3.32Å; S18-E164 PolarHBondContact OG-OE1 3.44Å; S18-E164 PolarHBondContact OG-OE2 3.12Å | ||
| 19 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 176.4 | -56.9 | 173.5 | 0 | 0 | 0 | 109.5 | V4 L13 D21 A22 L23 L56 I83 E164 M187 | V4-I19 HydrophobicContact CG2-CD1 4.15Å; L13-I19 HydrophobicContact CD1-CB 4.4Å; L13-I19 HydrophobicContact CD1-CG1 4.3Å; L13-I19 HydrophobicContact CD1-CG2 4.31Å; I19-D21 PolarHBondContact O-N 2.93Å; I19-A22 PolarHBondContact O-N 2.79Å; I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 2.59Å; I19-L56 HydrophobicContact CG2-CD2 4.02Å; I19-I83 HydrophobicContact CD1-CD1 4.36Å; I19-I83 HydrophobicContact CD1-CG2 4.17Å; I19-I83 HydrophobicContact CG1-CD1 3.67Å; I19-E164 HydrophobicContact CB-CG 4.27Å; I19-E164 WeakPolarHBondContact CB-OE2 3.43Å; I19-E164 HydrophobicContact CD1-CB 4.28Å; I19-E164 HydrophobicContact CD1-CG 3.99Å; I19-E164 HydrophobicContact CG1-CG 4.11Å; I19-E164 VanDerWaalsContact N-CD 3.3Å; I19-E164 PolarHBondContact N-OE1 3.19Å; I19-E164 PolarHBondContact N-OE2 2.95Å; I19-E164 VanDerWaalsContact N-OE2 3.14Å; I19-M187 HydrophobicContact CD1-CB 3.62Å; I19-M187 HydrophobicContact CD1-CG 4.05Å; I19-M187 HydrophobicContact CD1-SD 4.46Å |
| 20 | M | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | -178.6 | -68.6 | -168.6 | 70 | 0 | 0 | 112 | S18 A22 L23 G24 F25 D27 L56 R58 E164 | S18-M20 PolarHBondContact OG-N 3.5Å; M20-A22 PolarHBondContact O-N 3.24Å; M20-L23 CarbonylContact O-C 3.5Å; M20-L23 PolarHBondContact O-N 2.58Å; M20-G24 PolarHBondContact O-N 2.62Å; M20-F25 CarbonylContact C-O 3.53Å; M20-F25 WeakPolarHBondContact CB-O 3.5Å; M20-F25 HydrophobicContact CE-CB 4.27Å; M20-F25 PolarHBondContact O-N 2.98Å; M20-D27 VanDerWaalsContact CE-C 3.46Å; M20-D27 WeakPolarHBondContact CE-O 3.41Å; M20-L56 HydrophobicContact CG-CD2 3.88Å; M20-L56 HydrophobicContact CG-CG 4.04Å; M20-L56 HydrophobicContact SD-CG 4.48Å; M20-R58 HydrophobicContact CG-CB 4.37Å; M20-R58 HydrophobicContact CG-CG 4.31Å; M20-R58 HydrophobicContact SD-CB 3.53Å; M20-R58 VanDerWaalsContact SD-CB 3.53Å; M20-R58 HydrophobicContact SD-CG 3.4Å; M20-R58 WeakPolarHBondContact SD-CG 3.49Å; M20-R58 PolarHBondContact SD-N 2.97Å; M20-E164 WeakPolarHBondContact CG-OE2 3.31Å; M20-E164 PolarHBondContact N-OE2 3.34Å |
| 21 | D | 94.1 | Very high | 93.3 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 180 | -56.2 | -23.3 | 0 | 0 | 0 | 111.7 | S18 I19 L23 G24 R58 A65 M66 | S18-D21 VanDerWaalsContact CB-OD2 3.25Å; S18-D21 WeakPolarHBondContact CB-OD2 3.4Å; S18-D21 PolarHBondContact OG-N 3.16Å; I19-D21 PolarHBondContact O-N 2.93Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 3.48Å; D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 VanDerWaalsContact O-N 3.08Å; D21-R58 IonicContact OD1-CZ 2.75Å; D21-R58 IonicContact OD1-NE 2.83Å; D21-R58 IonicContact OD1-NH2 3.08Å; D21-R58 PolarHBondContact OD1-NH2 3.1Å; D21-R58 IonicContact OD2-NH2 2.85Å; D21-A65 WeakPolarHBondContact OD2-CA 3.08Å; D21-M66 WeakPolarHBondContact OD2-CB 3.35Å; D21-M66 PolarHBondContact OD2-N 3.4Å |
| 22 | A | 93.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K8 F9 L13 S18 I19 M20 G24 | K8-A22 PolarHBondContact NZ-O 3.37Å; F9-A22 HydrophobicContact CE2-CB 3.98Å; F9-A22 WeakPolarHBondContact CE2-O 3.25Å; L13-A22 HydrophobicContact CD1-CB 3.96Å; L13-A22 HydrophobicContact CD2-CB 3.94Å; S18-A22 WeakPolarHBondContact O-CB 3.26Å; S18-A22 PolarHBondContact O-N 2.69Å; I19-A22 PolarHBondContact O-N 2.79Å; M20-A22 PolarHBondContact O-N 3.24Å; A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 3.16Å |
| 23 | L | 92.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.5 | -19.4 | 175.8 | -64.7 | 179.5 | 0 | 0 | 0 | 112.9 | I19 M20 D21 F25 I31 V42 L56 | I19-L23 HydrophobicContact CG2-CD1 4.07Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 2.59Å; M20-L23 CarbonylContact O-C 3.5Å; M20-L23 PolarHBondContact O-N 2.58Å; D21-L23 VanDerWaalsContact C-N 3.3Å; D21-L23 PolarHBondContact O-N 3.48Å; L23-F25 HydrophobicContact CB-CD2 3.65Å; L23-F25 HydrophobicContact CB-CE2 3.85Å; L23-I31 HydrophobicContact CD1-CG2 3.94Å; L23-V42 HydrophobicContact CD1-CG2 4.21Å; L23-V42 HydrophobicContact CD2-CG2 4.27Å; L23-L56 HydrophobicContact CD1-CD2 4.08Å |
| 24 | G | 92.2 | Very high | 93.1 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 30.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | M20 D21 A22 | M20-G24 PolarHBondContact O-N 2.62Å; D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 VanDerWaalsContact O-N 3.08Å; A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 3.16Å |
| 25 | F | 91.1 | Very high | 93 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 32% | 0.316 | 24% | 0.242 | S | C | . | . | trans | -121.4 | 137.5 | -179 | -57.3 | -74.1 | 0 | 0 | 0 | 111.1 | M20 L23 T29 I31 | M20-F25 CarbonylContact C-O 3.53Å; M20-F25 WeakPolarHBondContact CB-O 3.5Å; M20-F25 HydrophobicContact CE-CB 4.27Å; M20-F25 PolarHBondContact O-N 2.98Å; L23-F25 HydrophobicContact CB-CD2 3.65Å; L23-F25 HydrophobicContact CB-CE2 3.85Å; F25-T29 HydrophobicContact CB-CG2 3.84Å; F25-T29 HydrophobicContact CD1-CG2 3.96Å; F25-T29 WeakPolarHBondContact CD1-OG1 3.22Å; F25-T29 HydrophobicContact CD2-CG2 3.47Å; F25-T29 VanDerWaalsContact CD2-CG2 3.47Å; F25-T29 HydrophobicContact CE1-CG2 4.38Å; F25-T29 VanDerWaalsContact CE1-OG1 3.27Å; F25-T29 WeakPolarHBondContact CE1-OG1 3.22Å; F25-T29 HydrophobicContact CE2-CG2 3.92Å; F25-T29 HydrophobicContact CG-CG2 3.48Å; F25-T29 VanDerWaalsContact CG-CG2 3.48Å; F25-T29 HydrophobicContact CZ-CG2 4.35Å; F25-I31 HydrophobicContact CE2-CG2 4.49Å | ||
| 26 | E | 85.2 | Confident | 92.8 | Very high | 157 Ų | 157 | 49.5 Ų | 49.5 | 73% | 0.734 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -100.3 | -30.4 | 174.8 | -65.8 | -173.3 | 172.2 | 0 | 0 | 112.9 | ||
| 27 | D | 89.1 | Confident | 92.7 | Very high | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -116.4 | 171.6 | -179.9 | -66.9 | -50.1 | 0 | 0 | 0 | 110.6 | M20 T29 R60 | M20-D27 VanDerWaalsContact CE-C 3.46Å; M20-D27 WeakPolarHBondContact CE-O 3.41Å; D27-T29 PolarHBondContact O-N 3.16Å; D27-R60 IonicContact OD1-CZ 3.65Å; D27-R60 IonicContact OD1-NH1 3.47Å; D27-R60 PolarHBondContact OD1-NH1 2.76Å; D27-R60 IonicContact OD1-NH2 2.67Å; D27-R60 PolarHBondContact OD1-NH2 3.19Å |
| 28 | E | 94.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 48.7 Ų | 48.7 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | trans | -46.2 | 133.1 | 176.4 | -177.6 | 177.8 | 153.9 | 0 | 0 | 111.7 | L56 C57 Y332 H336 | E28-L56 WeakPolarHBondContact CA-O 3.18Å; E28-C57 HydrophobicContact CB-CB 4.27Å; E28-C57 HydrophobicContact CG-CB 4.25Å; E28-Y332 PolarHBondContact OE1-OH 3.45Å; E28-Y332 WeakPolarHBondContact OE2-CE2 3.31Å; E28-H336 IonicContact OE1-CE1 3.99Å; E28-H336 PolarHBondContact OE1-CE1 3.34Å; E28-H336 IonicContact OE1-NE2 3.74Å; E28-H336 PolarHBondContact OE1-NE2 3.24Å | ||
| 29 | T | 94.9 | Very high | 92.7 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.1 | -178.6 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | F25 D27 I31 P55 L56 | F25-T29 HydrophobicContact CB-CG2 3.84Å; F25-T29 HydrophobicContact CD1-CG2 3.96Å; F25-T29 WeakPolarHBondContact CD1-OG1 3.22Å; F25-T29 HydrophobicContact CD2-CG2 3.47Å; F25-T29 VanDerWaalsContact CD2-CG2 3.47Å; F25-T29 HydrophobicContact CE1-CG2 4.38Å; F25-T29 VanDerWaalsContact CE1-OG1 3.27Å; F25-T29 WeakPolarHBondContact CE1-OG1 3.22Å; F25-T29 HydrophobicContact CE2-CG2 3.92Å; F25-T29 HydrophobicContact CG-CG2 3.48Å; F25-T29 VanDerWaalsContact CG-CG2 3.48Å; F25-T29 HydrophobicContact CZ-CG2 4.35Å; D27-T29 PolarHBondContact O-N 3.16Å; T29-I31 HydrophobicContact CG2-CG2 3.84Å; T29-P55 CarbonylContact O-C 3.56Å; T29-P55 WeakPolarHBondContact O-CA 3.47Å; T29-L56 HydrophobicContact CG2-CB 4.41Å; T29-L56 PolarHBondContact N-O 2.81Å; T29-L56 PolarHBondContact O-N 2.85Å |
| 30 | T | 95.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.8 | 166.6 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | D53 | T30-D53 HydrophobicContact CG2-CB 3.92Å |
| 31 | I | 94.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 157.6 | 174 | 61.5 | 163.2 | 0 | 0 | 0 | 109.9 | L23 F25 T29 I33 V42 D53 I54 L56 M187 | L23-I31 HydrophobicContact CD1-CG2 3.94Å; F25-I31 HydrophobicContact CE2-CG2 4.49Å; T29-I31 HydrophobicContact CG2-CG2 3.84Å; I31-I33 HydrophobicContact CD1-CG2 3.63Å; I31-I33 HydrophobicContact CG1-CG2 4.05Å; I31-V42 HydrophobicContact CD1-CB 4.34Å; I31-V42 HydrophobicContact CD1-CG1 4.41Å; I31-D53 CarbonylContact O-C 3.53Å; I31-D53 WeakPolarHBondContact O-CA 3.37Å; I31-I54 HydrophobicContact CD1-CG2 4.43Å; I31-I54 HydrophobicContact CG1-CG2 3.93Å; I31-I54 PolarHBondContact N-O 2.9Å; I31-I54 PolarHBondContact O-N 3.14Å; I31-L56 HydrophobicContact CD1-CB 3.97Å; I31-L56 HydrophobicContact CD1-CD2 3.91Å; I31-L56 HydrophobicContact CD1-CG 4.41Å; I31-L56 HydrophobicContact CG1-CB 3.92Å; I31-L56 HydrophobicContact CG2-CB 4.14Å; I31-L56 HydrophobicContact CG2-CD2 4.08Å; I31-M187 HydrophobicContact CD1-CE 3.45Å; I31-M187 VanDerWaalsContact CD1-CE 3.45Å |
| 32 | R | 95.2 | Very high | 92.7 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.1 | 169 | -174 | 171.5 | -77.4 | 176.7 | 0.9 | 110.3 | G43 C46 C51 I52 D53 | R32-G43 WeakPolarHBondContact CB-O 3.23Å; R32-G43 PolarHBondContact O-N 3.2Å; R32-C46 HydrophobicContact CB-CB 4.12Å; R32-C46 WeakPolarHBondContact CD-O 3.43Å; R32-C46 HydrophobicContact CG-CB 3.83Å; R32-C51 VanDerWaalsContact CD-CB 3.48Å; R32-C51 HydrophobicContact CG-CB 3.55Å; R32-I52 WeakPolarHBondContact CA-O 3.47Å; R32-D53 WeakPolarHBondContact CB-OD1 2.98Å; R32-D53 WeakPolarHBondContact CG-OD1 3.41Å; R32-D53 IonicContact CZ-OD1 3.47Å; R32-D53 IonicContact NE-OD1 3.33Å; R32-D53 PolarHBondContact NE-OD1 2.86Å; R32-D53 IonicContact NH2-OD1 2.7Å; R32-D53 PolarHBondContact NH2-OD1 3.5Å; R32-D53 IonicContact NH2-OD2 3.61Å; R32-D53 PolarHBondContact NH2-OD2 3.38Å |
| 33 | I | 95.2 | Very high | 92.5 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.5 | -179.9 | 67.2 | 168.5 | 0 | 0 | 0 | 111.6 | I31 L40 V41 V42 C51 I52 I54 M187 I189 | I31-I33 HydrophobicContact CD1-CG2 3.63Å; I31-I33 HydrophobicContact CG1-CG2 4.05Å; I33-L40 HydrophobicContact CB-CD1 4.03Å; I33-L40 HydrophobicContact CD1-CD1 4.36Å; I33-V41 CarbonylContact C-O 3.46Å; I33-V41 VanDerWaalsContact CA-O 3.29Å; I33-V41 WeakPolarHBondContact CA-O 3.39Å; I33-V42 HydrophobicContact CG2-CG1 3.92Å; I33-C51 WeakPolarHBondContact O-CA 3.46Å; I33-I52 HydrophobicContact CG1-CB 4.09Å; I33-I52 WeakPolarHBondContact CG1-O 3.2Å; I33-I52 PolarHBondContact N-O 2.89Å; I33-I52 PolarHBondContact O-N 3.46Å; I33-I54 HydrophobicContact CD1-CG2 3.95Å; I33-I54 HydrophobicContact CG1-CG2 4.09Å; I33-I54 HydrophobicContact CG2-CG2 3.92Å; I33-M187 HydrophobicContact CG2-CE 4.23Å; I33-I189 HydrophobicContact CD1-CD1 4.14Å |
| 34 | R | 93.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 139.1 | 169.9 | -173.8 | 174.5 | 61.8 | 73.5 | 13.2 | 109.2 | D36 V41 C46 L47 E50 | R34-D36 IonicContact CZ-OD1 3.41Å; R34-D36 IonicContact CZ-OD2 3.31Å; R34-D36 IonicContact NH1-OD1 3.92Å; R34-D36 PolarHBondContact NH1-OD1 3.41Å; R34-D36 IonicContact NH1-OD2 3.75Å; R34-D36 PolarHBondContact NH1-OD2 2.99Å; R34-D36 IonicContact NH2-OD1 2.84Å; R34-D36 IonicContact NH2-OD2 3.22Å; R34-D36 PolarHBondContact NH2-OD2 2.9Å; R34-V41 PolarHBondContact N-O 2.79Å; R34-V41 PolarHBondContact O-N 3.15Å; R34-C46 VanDerWaalsContact CB-SG 3.55Å; R34-L47 PolarHBondContact NE-O 3.21Å; R34-L47 VanDerWaalsContact NE-O 3.16Å; R34-E50 HydrophobicContact CG-CB 4.38Å |
| 35 | Q | 91.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.1 | 177.9 | -171.6 | -178.9 | 0.5 | 0 | 0 | 111.1 | D39 L40 E126 P127 I128 | Q35-D39 CarbonylContact C-O 3.49Å; Q35-D39 WeakPolarHBondContact CA-O 3.31Å; Q35-L40 HydrophobicContact CB-CD1 4.39Å; Q35-E126 PolarHBondContact NE2-O 3.49Å; Q35-P127 VanDerWaalsContact OE1-CA 3.29Å; Q35-I128 HydrophobicContact CB-CD1 4.36Å; Q35-I128 HydrophobicContact CG-CD1 4.36Å; Q35-I128 VanDerWaalsContact OE1-CG1 3.31Å |
| 36 | D | 89 | Confident | 90.5 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.342 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 92.9 | 174 | -84.8 | -34.3 | 0 | 0 | 0 | 109.9 | R34 C38 D39 V41 | R34-D36 IonicContact CZ-OD1 3.41Å; R34-D36 IonicContact CZ-OD2 3.31Å; R34-D36 IonicContact NH1-OD1 3.92Å; R34-D36 PolarHBondContact NH1-OD1 3.41Å; R34-D36 IonicContact NH1-OD2 3.75Å; R34-D36 PolarHBondContact NH1-OD2 2.99Å; R34-D36 IonicContact NH2-OD1 2.84Å; R34-D36 IonicContact NH2-OD2 3.22Å; R34-D36 PolarHBondContact NH2-OD2 2.9Å; D36-C38 VanDerWaalsContact C-N 3.32Å; D36-C38 PolarHBondContact O-N 2.92Å; D36-D39 PolarHBondContact N-O 2.96Å; D36-D39 PolarHBondContact O-N 2.82Å; D36-V41 HydrophobicContact CB-CG2 4.46Å |
| 37 | S | 86.9 | Confident | 90 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | -83.7 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 114.6 | N125 | S37-N125 WeakPolarHBondContact CB-OD1 3.15Å; S37-N125 PolarHBondContact O-N 3.05Å |
| 38 | C | 92.3 | Very high | 89.2 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 2.1 | -179.4 | -58 | 0 | 0 | 0 | 0 | 114 | V2 Y3 D36 | V2-C38 CarbonylContact C-O 3.56Å; V2-C38 VanDerWaalsContact CA-O 3.27Å; V2-C38 WeakPolarHBondContact CA-O 3.37Å; Y3-C38 PolarHBondContact N-O 2.87Å; D36-C38 VanDerWaalsContact C-N 3.32Å; D36-C38 PolarHBondContact O-N 2.92Å |
| 39 | D | 94.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.6 | -173.3 | -73.2 | -60.6 | 0 | 0 | 0 | 110.8 | Y3 Y5 R12 Q35 D36 | Y3-D39 CarbonylContact O-C 3.55Å; Y3-D39 WeakPolarHBondContact O-CA 3.37Å; Y5-D39 HydrophobicContact CG-CB 4.49Å; R12-D39 WeakPolarHBondContact CG-OD1 3.48Å; R12-D39 IonicContact CZ-OD1 3.36Å; R12-D39 IonicContact CZ-OD2 3.7Å; R12-D39 IonicContact NE-OD1 2.69Å; R12-D39 PolarHBondContact NE-OD1 3.23Å; R12-D39 IonicContact NE-OD2 3.63Å; R12-D39 IonicContact NH2-OD1 3.22Å; R12-D39 PolarHBondContact NH2-OD1 3.18Å; R12-D39 IonicContact NH2-OD2 2.88Å; R12-D39 PolarHBondContact NH2-OD2 3.43Å; Q35-D39 CarbonylContact C-O 3.49Å; Q35-D39 WeakPolarHBondContact CA-O 3.31Å; D36-D39 PolarHBondContact N-O 2.96Å; D36-D39 PolarHBondContact O-N 2.82Å |
| 40 | L | 95.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 103.2 | 162.6 | -178.2 | 63.1 | 0 | 0 | 0 | 106.7 | V2 Y3 Y5 I33 Q35 V42 V85 I128 M187 I189 | V2-L40 HydrophobicContact CG1-CB 4Å; Y3-L40 PolarHBondContact O-N 2.83Å; Y5-L40 PolarHBondContact N-O 3.32Å; I33-L40 HydrophobicContact CB-CD1 4.03Å; I33-L40 HydrophobicContact CD1-CD1 4.36Å; Q35-L40 HydrophobicContact CB-CD1 4.39Å; L40-V42 HydrophobicContact CD2-CG1 4.31Å; L40-V42 HydrophobicContact CG-CG1 4.04Å; L40-V42 PolarHBondContact O-N 3.29Å; L40-V85 HydrophobicContact CB-CG2 3.73Å; L40-V85 HydrophobicContact CD2-CG1 3.85Å; L40-V85 HydrophobicContact CD2-CG2 3.94Å; L40-V85 HydrophobicContact CG-CG2 4.5Å; L40-I128 HydrophobicContact CD1-CD1 3.63Å; L40-I128 HydrophobicContact CD2-CD1 4.16Å; L40-I128 HydrophobicContact CG-CD1 4.34Å; L40-M187 HydrophobicContact CD2-CE 4.27Å; L40-M187 HydrophobicContact CD2-SD 3.8Å; L40-I189 HydrophobicContact CD2-CD1 3.96Å; L40-I189 HydrophobicContact CD2-CG1 4.14Å |
| 41 | V | 95 | Very high | 86.9 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.7 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | Y5 I33 R34 D36 | Y5-V41 HydrophobicContact CD1-CG1 4.24Å; Y5-V41 HydrophobicContact CD1-CG2 4.13Å; Y5-V41 CarbonylContact O-C 3.58Å; Y5-V41 VanDerWaalsContact O-CA 3.31Å; Y5-V41 WeakPolarHBondContact O-CA 3.14Å; I33-V41 CarbonylContact C-O 3.46Å; I33-V41 VanDerWaalsContact CA-O 3.29Å; I33-V41 WeakPolarHBondContact CA-O 3.39Å; R34-V41 PolarHBondContact N-O 2.79Å; R34-V41 PolarHBondContact O-N 3.15Å; D36-V41 HydrophobicContact CB-CG2 4.46Å |
| 42 | V | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.3 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | V4 Y5 S7 L23 I31 I33 L40 M187 | V4-V42 HydrophobicContact CG1-CG1 4.28Å; V4-V42 HydrophobicContact CG1-CG2 3.63Å; Y5-V42 PolarHBondContact O-N 3.03Å; S7-V42 PolarHBondContact N-O 3.2Å; S7-V42 PolarHBondContact OG-O 3.46Å; S7-V42 VanDerWaalsContact OG-O 3.08Å; L23-V42 HydrophobicContact CD1-CG2 4.21Å; L23-V42 HydrophobicContact CD2-CG2 4.27Å; I31-V42 HydrophobicContact CD1-CB 4.34Å; I31-V42 HydrophobicContact CD1-CG1 4.41Å; I33-V42 HydrophobicContact CG2-CG1 3.92Å; L40-V42 HydrophobicContact CD2-CG1 4.31Å; L40-V42 HydrophobicContact CG-CG1 4.04Å; L40-V42 PolarHBondContact O-N 3.29Å; V42-M187 HydrophobicContact CG1-CE 3.91Å; V42-M187 HydrophobicContact CG1-SD 3.77Å |
| 43 | G | 89.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 148.8 | 159 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | S7 R32 D45 C46 | S7-G43 WeakPolarHBondContact OG-CA 3.35Å; R32-G43 WeakPolarHBondContact CB-O 3.23Å; R32-G43 PolarHBondContact O-N 3.2Å; G43-D45 PolarHBondContact O-N 3.21Å; G43-C46 VanDerWaalsContact O-CB 3.23Å; G43-C46 WeakPolarHBondContact O-CB 3.34Å; G43-C46 PolarHBondContact O-N 3.45Å |
| 44 | A | 78.8 | Confident | 86.7 | Confident | 87 Ų | 87 | 58.7 Ų | 58.7 | 72% | 0.719 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C46 | A44-C46 VanDerWaalsContact C-N 3.31Š|
| 45 | D | 78.9 | Confident | 86.9 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 7.7 | 177.6 | 63.3 | -42.9 | 0 | 0 | 0 | 113.2 | S7 G43 L47 | S7-D45 VanDerWaalsContact CB-OD1 3.31Å; S7-D45 WeakPolarHBondContact CB-OD1 3.42Å; S7-D45 PolarHBondContact OG-OD1 3.45Å; G43-D45 PolarHBondContact O-N 3.21Å; D45-L47 WeakPolarHBondContact O-CG 3.49Å; D45-L47 PolarHBondContact O-N 3.23Å |
| 46 | C | 76.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | trans | -62.2 | 120.1 | 172.6 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | R32 R34 G43 A44 C51 | R32-C46 HydrophobicContact CB-CB 4.12Å; R32-C46 WeakPolarHBondContact CD-O 3.43Å; R32-C46 HydrophobicContact CG-CB 3.83Å; R34-C46 VanDerWaalsContact CB-SG 3.55Å; G43-C46 VanDerWaalsContact O-CB 3.23Å; G43-C46 WeakPolarHBondContact O-CB 3.34Å; G43-C46 PolarHBondContact O-N 3.45Å; A44-C46 VanDerWaalsContact C-N 3.31Å; C46-C51 VanDerWaalsContact SG-SG 3.66Å | ||
| 47 | L | 74.3 | Confident | 87.5 | Confident | 138 Ų | 138 | 53 Ų | 53 | 72% | 0.723 | 31% | 0.305 | S | S | * | . | trans | -109 | 148.3 | -179.5 | -61.4 | 177.8 | 0 | 0 | 0 | 110.2 | R34 D45 | R34-L47 PolarHBondContact NE-O 3.21Å; R34-L47 VanDerWaalsContact NE-O 3.16Å; D45-L47 WeakPolarHBondContact O-CG 3.49Å; D45-L47 PolarHBondContact O-N 3.23Å | ||
| 48 | G | 72.1 | Confident | 87.8 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 136.3 | 152.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E50 C51 | G48-E50 PolarHBondContact O-N 3.22Å; G48-C51 WeakPolarHBondContact O-CB 3.49Å; G48-C51 PolarHBondContact O-N 2.84Å; G48-C51 PolarHBondContact O-SG 3.3Å |
| 49 | F | 64.4 | Low | 87.7 | Confident | 225 Ų | 225 | 48.6 Ų | 48.6 | 99% | 0.987 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -179.3 | -70.4 | -79 | 0 | 0 | 0 | 113.8 | ||
| 50 | E | 82.4 | Confident | 87.3 | Confident | 147 Ų | 147 | 50.7 Ų | 50.7 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.7 | -178.6 | -60.6 | -180 | 160 | 0 | 0 | 113 | R34 G48 | R34-E50 HydrophobicContact CG-CB 4.38Å; G48-E50 PolarHBondContact O-N 3.22Å |
| 51 | C | 89.4 | Confident | 86.7 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | trans | -69.4 | 136.4 | 177.5 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | R32 I33 C46 G48 | R32-C51 VanDerWaalsContact CD-CB 3.48Å; R32-C51 HydrophobicContact CG-CB 3.55Å; I33-C51 WeakPolarHBondContact O-CA 3.46Å; C46-C51 VanDerWaalsContact SG-SG 3.66Å; G48-C51 WeakPolarHBondContact O-CB 3.49Å; G48-C51 PolarHBondContact O-N 2.84Å; G48-C51 PolarHBondContact O-SG 3.3Å | ||
| 52 | I | 92 | Very high | 86.4 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.2 | 176.4 | -61.6 | 169 | 0 | 0 | 0 | 108.1 | R32 I33 P159 | R32-I52 WeakPolarHBondContact CA-O 3.47Å; I33-I52 HydrophobicContact CG1-CB 4.09Å; I33-I52 WeakPolarHBondContact CG1-O 3.2Å; I33-I52 PolarHBondContact N-O 2.89Å; I33-I52 PolarHBondContact O-N 3.46Å; I52-P159 HydrophobicContact CD1-CG 4.38Å; I52-P159 HydrophobicContact CG2-CB 4.19Å; I52-P159 HydrophobicContact CG2-CG 3.69Å |
| 53 | D | 94.1 | Very high | 85.9 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126 | 170.7 | -65.7 | -22.1 | 0 | 0 | 0 | 108.7 | T30 I31 R32 | T30-D53 HydrophobicContact CG2-CB 3.92Å; I31-D53 CarbonylContact O-C 3.53Å; I31-D53 WeakPolarHBondContact O-CA 3.37Å; R32-D53 WeakPolarHBondContact CB-OD1 2.98Å; R32-D53 WeakPolarHBondContact CG-OD1 3.41Å; R32-D53 IonicContact CZ-OD1 3.47Å; R32-D53 IonicContact NE-OD1 3.33Å; R32-D53 PolarHBondContact NE-OD1 2.86Å; R32-D53 IonicContact NH2-OD1 2.7Å; R32-D53 PolarHBondContact NH2-OD1 3.5Å; R32-D53 IonicContact NH2-OD2 3.61Å; R32-D53 PolarHBondContact NH2-OD2 3.38Å |
| 54 | I | 95.5 | Very high | 85.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.9 | -174.4 | -166.2 | 170.2 | 0 | 0 | 0 | 110.9 | I31 I33 P159 C161 I189 | I31-I54 HydrophobicContact CD1-CG2 4.43Å; I31-I54 HydrophobicContact CG1-CG2 3.93Å; I31-I54 PolarHBondContact N-O 2.9Å; I31-I54 PolarHBondContact O-N 3.14Å; I33-I54 HydrophobicContact CD1-CG2 3.95Å; I33-I54 HydrophobicContact CG1-CG2 4.09Å; I33-I54 HydrophobicContact CG2-CG2 3.92Å; I54-P159 HydrophobicContact CD1-CB 4.01Å; I54-C161 WeakPolarHBondContact CD1-O 3.46Å; I54-C161 VanDerWaalsContact CG1-CA 3.47Å; I54-I189 HydrophobicContact CD1-CG2 4.01Å |
| 55 | P | 97.4 | Very high | 86.5 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 137.7 | 170.8 | -23.8 | 33.9 | 0 | 0 | 0 | 111.2 | T29 C161 S162 Y332 | T29-P55 CarbonylContact O-C 3.56Å; T29-P55 WeakPolarHBondContact O-CA 3.47Å; P55-C161 HydrophobicContact CB-CB 4.26Å; P55-C161 CarbonylContact O-C 3.59Å; P55-S162 WeakPolarHBondContact O-CA 3.17Å; P55-S162 PolarHBondContact O-N 3.21Å; P55-S162 PolarHBondContact O-OG 3.43Å; P55-Y332 WeakPolarHBondContact CB-OH 3.4Å |
| 56 | L | 97.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132 | 172 | 172.4 | 64.5 | 0 | 0 | 0 | 108.9 | I19 M20 L23 E28 T29 I31 S162 M187 | I19-L56 HydrophobicContact CG2-CD2 4.02Å; M20-L56 HydrophobicContact CG-CD2 3.88Å; M20-L56 HydrophobicContact CG-CG 4.04Å; M20-L56 HydrophobicContact SD-CG 4.48Å; L23-L56 HydrophobicContact CD1-CD2 4.08Å; E28-L56 WeakPolarHBondContact CA-O 3.18Å; T29-L56 HydrophobicContact CG2-CB 4.41Å; T29-L56 PolarHBondContact N-O 2.81Å; T29-L56 PolarHBondContact O-N 2.85Å; I31-L56 HydrophobicContact CD1-CB 3.97Å; I31-L56 HydrophobicContact CD1-CD2 3.91Å; I31-L56 HydrophobicContact CD1-CG 4.41Å; I31-L56 HydrophobicContact CG1-CB 3.92Å; I31-L56 HydrophobicContact CG2-CB 4.14Å; I31-L56 HydrophobicContact CG2-CD2 4.08Å; L56-S162 WeakPolarHBondContact CA-O 3.26Å; L56-S162 VanDerWaalsContact CA-OG 3.28Å; L56-S162 WeakPolarHBondContact CA-OG 3.43Å; L56-S162 VanDerWaalsContact CB-OG 3.3Å; L56-S162 WeakPolarHBondContact CB-OG 3.37Å; L56-S162 WeakPolarHBondContact CD1-OG 3.3Å; L56-M187 HydrophobicContact CD1-CE 4.47Å |
| 57 | C | 96.3 | Very high | 87 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 166.8 | 172.5 | -166 | 0 | 0 | 0 | 0 | 111.1 | E28 S162 W163 E164 Y332 | E28-C57 HydrophobicContact CB-CB 4.27Å; E28-C57 HydrophobicContact CG-CB 4.25Å; C57-S162 PolarHBondContact N-O 3.36Å; C57-W163 HydrophobicContact CB-CE3 3.91Å; C57-W163 HydrophobicContact CB-CZ3 3.69Å; C57-W163 WeakPolarHBondContact O-CA 3.32Å; C57-E164 PolarHBondContact O-N 3.25Å; C57-Y332 HydrophobicContact CB-CD1 4.46Å; C57-Y332 HydrophobicContact CB-CD2 4.28Å; C57-Y332 HydrophobicContact CB-CE1 3.86Å; C57-Y332 HydrophobicContact CB-CE2 3.69Å; C57-Y332 VanDerWaalsContact CB-CZ 3.44Å |
| 58 | R | 93.5 | Very high | 87.2 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | trans | -141.9 | 155.9 | 172.4 | 80.6 | -177.4 | 163.1 | 55.9 | -4 | 107.9 | M20 D21 C62 W163 E164 | M20-R58 HydrophobicContact CG-CB 4.37Å; M20-R58 HydrophobicContact CG-CG 4.31Å; M20-R58 HydrophobicContact SD-CB 3.53Å; M20-R58 VanDerWaalsContact SD-CB 3.53Å; M20-R58 HydrophobicContact SD-CG 3.4Å; M20-R58 WeakPolarHBondContact SD-CG 3.49Å; M20-R58 PolarHBondContact SD-N 2.97Å; D21-R58 IonicContact OD1-CZ 2.75Å; D21-R58 IonicContact OD1-NE 2.83Å; D21-R58 IonicContact OD1-NH2 3.08Å; D21-R58 PolarHBondContact OD1-NH2 3.1Å; D21-R58 IonicContact OD2-NH2 2.85Å; R58-C62 HydrophobicContact CG-CB 4.2Å; R58-W163 VanDerWaalsContact C-CH2 3.41Å; R58-E164 HydrophobicContact CB-CB 3.73Å; R58-E164 HydrophobicContact CB-CG 4.41Å; R58-E164 WeakPolarHBondContact CD-OE2 3.36Å | ||
| 59 | P | 89.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | trans | -69.2 | 143.9 | 175.7 | 29.4 | -27.7 | 0 | 0 | 0 | 109.2 | V61 C62 W163 L328 | P59-V61 HydrophobicContact CB-CG2 3.97Å; P59-V61 PolarHBondContact O-N 3.09Å; P59-V61 VanDerWaalsContact O-N 3.09Å; P59-C62 HydrophobicContact CG-CB 4.01Å; P59-C62 WeakPolarHBondContact O-CB 3.46Å; P59-C62 PolarHBondContact O-N 3.42Å; P59-W163 HydrophobicContact CB-CH2 4.11Å; P59-W163 HydrophobicContact CB-CZ2 3.83Å; P59-W163 HydrophobicContact CG-CH2 4.42Å; P59-W163 HydrophobicContact CG-CZ2 3.76Å; P59-W163 VanDerWaalsContact N-CH2 3.3Å; P59-L328 HydrophobicContact CB-CD1 3.63Å; P59-L328 HydrophobicContact CG-CD1 4.11Å | ||
| 60 | R | 86.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 46 Ų | 46 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -28.4 | 176.8 | -73.8 | -173.8 | -172.5 | -70.1 | -2.7 | 113.1 | D27 C62 N68 E244 F247 | D27-R60 IonicContact OD1-CZ 3.65Å; D27-R60 IonicContact OD1-NH1 3.47Å; D27-R60 PolarHBondContact OD1-NH1 2.76Å; D27-R60 IonicContact OD1-NH2 2.67Å; D27-R60 PolarHBondContact OD1-NH2 3.19Å; R60-C62 VanDerWaalsContact C-N 3.26Å; R60-C62 PolarHBondContact O-N 2.9Å; R60-N68 PolarHBondContact O-ND2 3.19Å; R60-E244 WeakPolarHBondContact CG-OE2 3.31Å; R60-E244 PolarHBondContact N-OE2 3.22Å; R60-F247 HydrophobicContact CB-CB 4Å |
| 61 | V | 83.8 | Confident | 87.4 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.7 | 176.3 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | P59 R170 F243 F247 Y260 | P59-V61 HydrophobicContact CB-CG2 3.97Å; P59-V61 PolarHBondContact O-N 3.09Å; P59-V61 VanDerWaalsContact O-N 3.09Å; V61-R170 HydrophobicContact CG2-CG 3.96Å; V61-F243 HydrophobicContact CG2-CE1 4.25Å; V61-F243 HydrophobicContact CG2-CZ 4.24Å; V61-F247 HydrophobicContact CG1-CB 4.44Å; V61-F247 HydrophobicContact CG1-CD1 3.34Å; V61-F247 HydrophobicContact CG1-CD2 3.82Å; V61-F247 HydrophobicContact CG1-CE1 3.34Å; V61-F247 HydrophobicContact CG1-CE2 3.85Å; V61-F247 HydrophobicContact CG1-CG 3.58Å; V61-F247 HydrophobicContact CG1-CZ 3.6Å; V61-Y260 HydrophobicContact CB-CE1 4.18Å; V61-Y260 HydrophobicContact CG1-CE1 3.82Å; V61-Y260 PolarHBondContact O-OH 2.83Å |
| 62 | C | 87.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -54.6 | 126.5 | -180 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | R58 P59 R60 F64 A65 N68 | R58-C62 HydrophobicContact CG-CB 4.2Å; P59-C62 HydrophobicContact CG-CB 4.01Å; P59-C62 WeakPolarHBondContact O-CB 3.46Å; P59-C62 PolarHBondContact O-N 3.42Å; R60-C62 VanDerWaalsContact C-N 3.26Å; R60-C62 PolarHBondContact O-N 2.9Å; C62-F64 PolarHBondContact O-N 3.14Å; C62-A65 HydrophobicContact CB-CB 4.32Å; C62-A65 VanDerWaalsContact O-CB 3.25Å; C62-A65 WeakPolarHBondContact O-CB 3.12Å; C62-A65 PolarHBondContact O-N 3.45Å; C62-N68 WeakPolarHBondContact O-CB 3.33Å; C62-N68 PolarHBondContact O-ND2 3.16Å | ||
| 63 | P | 85.6 | Confident | 86 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -23.2 | -178.2 | 30.8 | -37.5 | 0 | 0 | 0 | 113 | L72 S166 I180 P182 | P63-L72 HydrophobicContact CB-CD2 3.76Å; P63-L72 WeakPolarHBondContact O-CD1 3.3Å; P63-L72 WeakPolarHBondContact O-CD2 3.25Å; P63-L72 VanDerWaalsContact O-CG 3.25Å; P63-L72 WeakPolarHBondContact O-CG 3.24Å; P63-S166 WeakPolarHBondContact CD-OG 3.46Å; P63-I180 HydrophobicContact CB-CD1 4.31Å; P63-I180 HydrophobicContact CB-CG2 3.67Å; P63-I180 HydrophobicContact CG-CD1 4.41Å; P63-P182 HydrophobicContact CB-CG 4.16Å; P63-P182 HydrophobicContact CG-CG 3.91Å |
| 64 | F | 89.4 | Confident | 84.7 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -17.7 | 178.3 | -60.6 | -67.8 | 0 | 0 | 0 | 114 | F15 S18 C62 M66 L72 S166 P182 H185 | F15-F64 HydrophobicContact CD1-CE1 4.34Å; F15-F64 HydrophobicContact CD1-CZ 4.49Å; F15-F64 HydrophobicContact CE1-CE1 4.1Å; F15-F64 AromaticContact CE1-CZ 3.92Å; F15-F64 HydrophobicContact CE1-CZ 3.92Å; F15-F64 HydrophobicContact CZ-CZ 4.14Å; F15-F64 WeakPolarHBondContact O-CE1 3.31Å; S18-F64 WeakPolarHBondContact CB-O 3.31Å; C62-F64 PolarHBondContact O-N 3.14Å; F64-M66 PolarHBondContact O-N 2.94Å; F64-L72 HydrophobicContact CD1-CD1 4.01Å; F64-L72 HydrophobicContact CD1-CD2 4.35Å; F64-L72 HydrophobicContact CE1-CD2 4.4Å; F64-S166 VanDerWaalsContact CE2-CB 3.42Å; F64-P182 HydrophobicContact CE1-CB 4.2Å; F64-P182 HydrophobicContact CE1-CG 4.02Å; F64-P182 HydrophobicContact CE2-CB 3.99Å; F64-P182 HydrophobicContact CE2-CG 4.25Å; F64-P182 HydrophobicContact CZ-CB 3.43Å; F64-P182 VanDerWaalsContact CZ-CB 3.43Å; F64-P182 HydrophobicContact CZ-CG 3.68Å; F64-H185 AromaticContact CD1-ND1 3.81Å; F64-H185 HydrophobicContact CD2-CB 4.32Å; F64-H185 AromaticContact CD2-CD2 3.81Å; F64-H185 AromaticContact CD2-CE1 3.51Å; F64-H185 AromaticContact CD2-CG 3.66Å; F64-H185 AromaticContact CD2-ND1 3.48Å; F64-H185 WeakPolarHBondContact CD2-ND1 3.47Å; F64-H185 AromaticContact CD2-NE2 3.74Å; F64-H185 HydrophobicContact CE1-CB 4.46Å; F64-H185 AromaticContact CE1-ND1 3.79Å; F64-H185 HydrophobicContact CE2-CB 3.48Å; F64-H185 VanDerWaalsContact CE2-CB 3.48Å; F64-H185 AromaticContact CE2-CD2 3.8Å; F64-H185 AromaticContact CE2-CE1 3.97Å; F64-H185 AromaticContact CE2-CG 3.32Å; F64-H185 AromaticContact CE2-ND1 3.46Å; F64-H185 WeakPolarHBondContact CE2-ND1 3.41Å; F64-H185 AromaticContact CG-CE1 3.57Å; F64-H185 AromaticContact CG-ND1 3.65Å; F64-H185 HydrophobicContact CZ-CB 3.56Å; F64-H185 AromaticContact CZ-CG 3.7Å; F64-H185 AromaticContact CZ-ND1 3.62Å |
| 65 | A | 89.7 | Confident | 83 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -53.6 | 138.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D21 C62 S67 N68 R69 | D21-A65 WeakPolarHBondContact OD2-CA 3.08Å; C62-A65 HydrophobicContact CB-CB 4.32Å; C62-A65 VanDerWaalsContact O-CB 3.25Å; C62-A65 WeakPolarHBondContact O-CB 3.12Å; C62-A65 PolarHBondContact O-N 3.45Å; A65-S67 PolarHBondContact O-N 3.03Å; A65-S67 VanDerWaalsContact O-N 3.15Å; A65-N68 HydrophobicContact CB-CB 4.27Å; A65-N68 CarbonylContact O-C 3.53Å; A65-N68 WeakPolarHBondContact O-CA 3.47Å; A65-N68 PolarHBondContact O-N 2.88Å; A65-R69 PolarHBondContact O-N 3.44Å |
| 66 | M | 85.7 | Confident | 80.8 | Confident | 144 Ų | 144 | 48.3 Ų | 48.3 | 71% | 0.709 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -36.9 | -179.2 | -170.9 | 177.2 | -61.9 | 0 | 0 | 111.2 | D21 F64 N68 R69 | D21-M66 WeakPolarHBondContact OD2-CB 3.35Å; D21-M66 PolarHBondContact OD2-N 3.4Å; F64-M66 PolarHBondContact O-N 2.94Å; M66-N68 PolarHBondContact O-N 3.39Å; M66-R69 PolarHBondContact O-N 2.71Å |
| 67 | S | 80.4 | Confident | 79.1 | Confident | 80 Ų | 80 | 56.9 Ų | 56.9 | 56% | 0.559 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.2 | 174.3 | 61.3 | 0 | 0 | 0 | 0 | 114 | A65 | A65-S67 PolarHBondContact O-N 3.03Å; A65-S67 VanDerWaalsContact O-N 3.15Å |
| 68 | N | 79.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.08 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -5.9 | -174 | -58.7 | -25.3 | 0 | 0 | 0 | 112.8 | R60 C62 A65 M66 R70 F71 | R60-N68 PolarHBondContact O-ND2 3.19Å; C62-N68 WeakPolarHBondContact O-CB 3.33Å; C62-N68 PolarHBondContact O-ND2 3.16Å; A65-N68 HydrophobicContact CB-CB 4.27Å; A65-N68 CarbonylContact O-C 3.53Å; A65-N68 WeakPolarHBondContact O-CA 3.47Å; A65-N68 PolarHBondContact O-N 2.88Å; M66-N68 PolarHBondContact O-N 3.39Å; N68-R70 PolarHBondContact O-N 3.11Å; N68-F71 HydrophobicContact CB-CD2 4.28Å; N68-F71 WeakPolarHBondContact O-CB 3.04Å; N68-F71 WeakPolarHBondContact O-CD2 3.37Å; N68-F71 PolarHBondContact O-N 3.32Å |
| 69 | R | 78.2 | Confident | 76.6 | Confident | 140 Ų | 140 | 64.1 Ų | 64.1 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -55.7 | -28.6 | -175 | -164.3 | -179 | 179.6 | 173.6 | 2.1 | 113.6 | A65 M66 F71 L72 | A65-R69 PolarHBondContact O-N 3.44Å; M66-R69 PolarHBondContact O-N 2.71Å; R69-F71 PolarHBondContact O-N 3.49Å; R69-F71 VanDerWaalsContact O-N 3.11Å; R69-L72 HydrophobicContact CG-CD1 3.87Å; R69-L72 WeakPolarHBondContact O-CB 3.3Å; R69-L72 PolarHBondContact O-N 2.89Å |
| 70 | R | 72.9 | Confident | 76.3 | Confident | 116 Ų | 116 | 67.2 Ų | 67.2 | 44% | 0.438 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -58.2 | -21.5 | 175.2 | 64.4 | 175.1 | 168.8 | 168.5 | -5 | 114.1 | N68 N255 | N68-R70 PolarHBondContact O-N 3.11Å; R70-N255 PolarHBondContact NH1-O 3.06Å |
| 71 | F | 71.7 | Confident | 76.5 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -92 | -9 | 177.1 | -53 | -64.7 | 0 | 0 | 0 | 112.6 | N68 R69 N73 L171 S178 T179 I180 Y258 | N68-F71 HydrophobicContact CB-CD2 4.28Å; N68-F71 WeakPolarHBondContact O-CB 3.04Å; N68-F71 WeakPolarHBondContact O-CD2 3.37Å; N68-F71 PolarHBondContact O-N 3.32Å; R69-F71 PolarHBondContact O-N 3.49Å; R69-F71 VanDerWaalsContact O-N 3.11Å; F71-N73 PolarHBondContact O-N 3.31Å; F71-L171 HydrophobicContact CB-CD1 3.57Å; F71-L171 HydrophobicContact CB-CD2 3.65Å; F71-L171 HydrophobicContact CB-CG 4.28Å; F71-L171 HydrophobicContact CD2-CD1 3.61Å; F71-L171 HydrophobicContact CG-CD1 3.64Å; F71-L171 HydrophobicContact CG-CD2 4.26Å; F71-S178 WeakPolarHBondContact CD1-O 3.18Å; F71-T179 CarbonylContact O-C 3.59Å; F71-T179 WeakPolarHBondContact O-CA 3.4Å; F71-T179 VanDerWaalsContact O-CB 3.26Å; F71-T179 WeakPolarHBondContact O-CB 3.19Å; F71-I180 PolarHBondContact O-N 2.96Å; F71-Y258 HydrophobicContact CE2-CD1 4.48Å; F71-Y258 HydrophobicContact CE2-CG 4.48Å; F71-Y258 HydrophobicContact CZ-CD1 4.45Å; F71-Y258 HydrophobicContact CZ-CG 4.24Å |
| 72 | L | 77.7 | Confident | 77.1 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 15% | 0.147 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 122.5 | 175.4 | -67.4 | 179 | 0 | 0 | 0 | 109.5 | P63 F64 R69 S74 I180 P182 | P63-L72 HydrophobicContact CB-CD2 3.76Å; P63-L72 WeakPolarHBondContact O-CD1 3.3Å; P63-L72 WeakPolarHBondContact O-CD2 3.25Å; P63-L72 VanDerWaalsContact O-CG 3.25Å; P63-L72 WeakPolarHBondContact O-CG 3.24Å; F64-L72 HydrophobicContact CD1-CD1 4.01Å; F64-L72 HydrophobicContact CD1-CD2 4.35Å; F64-L72 HydrophobicContact CE1-CD2 4.4Å; R69-L72 HydrophobicContact CG-CD1 3.87Å; R69-L72 WeakPolarHBondContact O-CB 3.3Å; R69-L72 PolarHBondContact O-N 2.89Å; L72-S74 PolarHBondContact O-N 3.35Å; L72-I180 HydrophobicContact CD2-CG2 4.02Å; L72-P182 HydrophobicContact CD2-CG 3.58Å |
| 73 | N | 74.4 | Confident | 77.5 | Confident | 57 Ų | 57 | 73.2 Ų | 73.2 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | trans | -73.4 | 114.8 | 168.1 | -172.4 | 8.8 | 0 | 0 | 0 | 109.2 | F71 D75 I180 S181 | F71-N73 PolarHBondContact O-N 3.31Å; N73-D75 PolarHBondContact O-N 2.9Å; N73-D75 WeakPolarHBondContact OD1-CB 3.21Å; N73-D75 PolarHBondContact OD1-N 3.18Å; N73-I180 PolarHBondContact N-O 2.89Å; N73-S181 WeakPolarHBondContact CB-OG 3.34Å; N73-S181 PolarHBondContact ND2-OG 2.78Å | ||
| 74 | S | 65.3 | Low | 78.1 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | trans | -72.3 | -15.3 | 173.8 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | L72 G76 | L72-S74 PolarHBondContact O-N 3.35Å; S74-G76 PolarHBondContact O-N 2.88Å | ||
| 75 | D | 61 | Low | 78.4 | Confident | 120 Ų | 120 | 73.2 Ų | 73.2 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -90 | 111 | -167.9 | -64.8 | -11.6 | 0 | 0 | 0 | 112.7 | N73 | N73-D75 PolarHBondContact O-N 2.9Å; N73-D75 WeakPolarHBondContact OD1-CB 3.21Å; N73-D75 PolarHBondContact OD1-N 3.18Å |
| 76 | G | 51.6 | Low | 78.8 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 78% | 0.784 | 40% | 0.402 | S | S | * | . | S | Bend | 98.4 | 16 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | S74 | S74-G76 PolarHBondContact O-N 2.88Š| |
| 77 | K | 60.1 | Low | 79.3 | Confident | 180 Ų | 180 | 67 Ų | 67 | 78% | 0.783 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -125.1 | 144.1 | 163 | -74.1 | -174.8 | 179.8 | 178.7 | 0 | 110.9 | C79 | K77-C79 PolarHBondContact O-N 2.87Š|
| 78 | S | 64.2 | Low | 80.1 | Confident | 127 Ų | 127 | 63.5 Ų | 63.5 | 89% | 0.888 | 34% | 0.344 | S | S | * | . | trans | -63.8 | 85.7 | 174.3 | 62.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 79 | C | 73.2 | Confident | 80.9 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | trans | -64.6 | 150.4 | 166.7 | -63.9 | 0 | 0 | 0 | 0 | 108.2 | F15 K77 | F15-C79 HydrophobicContact CD1-CB 3.54Å; F15-C79 HydrophobicContact CE1-CB 3.73Å; F15-C79 HydrophobicContact CG-CB 4.08Å; F15-C79 HydrophobicContact CZ-CB 4.41Å; K77-C79 PolarHBondContact O-N 2.87Å | ||
| 80 | P | 84.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | trans | -48.7 | 148.2 | 164.1 | -24 | 33.2 | 0 | 0 | 0 | 110.3 | F15 | F15-P80 WeakPolarHBondContact CB-O 3.49Å; F15-P80 HydrophobicContact CD2-CB 3.88Å; F15-P80 HydrophobicContact CD2-CG 3.86Å; F15-P80 HydrophobicContact CE2-CB 4.39Å; F15-P80 HydrophobicContact CE2-CG 3.85Å | ||
| 81 | K | 91.3 | Very high | 82.9 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 65% | 0.648 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -70.1 | -40.5 | 177.9 | -170.3 | 176.8 | -178.4 | -175.7 | 0 | 111.5 | E14 F15 | E14-K81 WeakPolarHBondContact CA-O 3.41Å; F15-K81 PolarHBondContact N-O 3.41Å; F15-K81 VanDerWaalsContact N-O 3.14Å |
| 82 | W | 95.3 | Very high | 83.9 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 21% | 0.205 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -121.6 | 160.4 | -172.5 | -49.5 | 124.2 | 0 | 0 | 0 | 110.6 | Y3 R12 L13 E14 P84 | Y3-W82 HydrophobicContact CD1-CB 3.6Å; Y3-W82 HydrophobicContact CD1-CG 4.47Å; Y3-W82 HydrophobicContact CE1-CB 4.18Å; Y3-W82 HydrophobicContact CG-CB 4Å; R12-W82 HydrophobicContact CB-CB 4.48Å; R12-W82 HydrophobicContact CB-CD2 3.74Å; R12-W82 HydrophobicContact CB-CE3 3.66Å; R12-W82 HydrophobicContact CB-CG 4.1Å; R12-W82 HydrophobicContact CB-CZ3 4.13Å; L13-W82 WeakPolarHBondContact O-CA 3.46Å; E14-W82 HydrophobicContact CG-CE3 4.02Å; E14-W82 HydrophobicContact CG-CZ3 3.52Å; W82-P84 WeakPolarHBondContact O-CD 3.4Å |
| 83 | I | 96.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -77.8 | 111.2 | 174.6 | -53.5 | 171.5 | 0 | 0 | 0 | 109.1 | Y3 V4 L13 E14 E17 I19 | Y3-I83 WeakPolarHBondContact CA-O 3.28Å; V4-I83 HydrophobicContact CB-CB 4.27Å; V4-I83 HydrophobicContact CG2-CB 4.01Å; V4-I83 HydrophobicContact CG2-CG2 3.86Å; V4-I83 PolarHBondContact N-O 2.8Å; L13-I83 HydrophobicContact CB-CD1 3.76Å; L13-I83 HydrophobicContact CB-CG1 4.4Å; L13-I83 PolarHBondContact O-N 2.83Å; L13-I83 VanDerWaalsContact O-N 3.14Å; E14-I83 WeakPolarHBondContact O-CG1 3.28Å; E17-I83 WeakPolarHBondContact O-CD1 3.32Å; I19-I83 HydrophobicContact CD1-CD1 4.36Å; I19-I83 HydrophobicContact CD1-CG2 4.17Å; I19-I83 HydrophobicContact CG1-CD1 3.67Å | ||
| 84 | P | 96.9 | Very high | 85.2 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.045 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 154.8 | 172.4 | 29.2 | -38.7 | 0 | 0 | 0 | 112.7 | M1 Y3 W82 H185 H186 M187 | M1-P84 HydrophobicContact CG-CB 4.25Å; M1-P84 HydrophobicContact SD-CB 3.6Å; Y3-P84 HydrophobicContact CD1-CB 4.47Å; W82-P84 WeakPolarHBondContact O-CD 3.4Å; P84-H185 VanDerWaalsContact CD-O 3.24Å; P84-H185 WeakPolarHBondContact CD-O 3.19Å; P84-H185 WeakPolarHBondContact CG-O 3.19Å; P84-H186 VanDerWaalsContact CG-CD2 3.45Å; P84-H186 WeakPolarHBondContact CG-CD2 3.15Å; P84-H186 WeakPolarHBondContact CG-NE2 3.32Å; P84-H186 WeakPolarHBondContact O-CA 3.32Å; P84-M187 PolarHBondContact O-N 2.91Å; P84-M187 VanDerWaalsContact O-N 3.13Å |
| 85 | V | 97.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.9 | 170.2 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | V2 V4 L40 C122 I128 M187 I189 | V2-V85 HydrophobicContact CB-CB 4.18Å; V2-V85 HydrophobicContact CB-CG2 4.46Å; V2-V85 HydrophobicContact CG1-CB 4.13Å; V2-V85 HydrophobicContact CG1-CG2 3.97Å; V2-V85 PolarHBondContact O-N 3.29Å; V4-V85 HydrophobicContact CG2-CG2 3.92Å; L40-V85 HydrophobicContact CB-CG2 3.73Å; L40-V85 HydrophobicContact CD2-CG1 3.85Å; L40-V85 HydrophobicContact CD2-CG2 3.94Å; L40-V85 HydrophobicContact CG-CG2 4.5Å; V85-C122 PolarHBondContact O-N 2.75Å; V85-C122 VanDerWaalsContact O-N 3.09Å; V85-I128 HydrophobicContact CG1-CD1 4.24Å; V85-M187 WeakPolarHBondContact CA-O 3.25Å; V85-I189 HydrophobicContact CG1-CG1 4.34Å |
| 86 | A | 97 | Very high | 87.5 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 162.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G120 M187 V188 I189 | A86-G120 CarbonylContact C-O 3.43Å; A86-G120 WeakPolarHBondContact CA-O 3.36Å; A86-G120 VanDerWaalsContact CB-O 3.23Å; A86-G120 WeakPolarHBondContact CB-O 3.25Å; A86-M187 PolarHBondContact N-O 2.88Å; A86-V188 HydrophobicContact CB-CG2 4.41Å; A86-V188 CarbonylContact O-C 3.52Å; A86-V188 WeakPolarHBondContact O-CA 3.39Å; A86-I189 PolarHBondContact O-N 3.23Å |
| 87 | C | 96.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 159.5 | 170 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | G119 G120 I128 T131 A132 I189 Y191 | C87-G119 CarbonylContact O-C 3.59Å; C87-G119 VanDerWaalsContact O-CA 3.25Å; C87-G119 WeakPolarHBondContact O-CA 3.12Å; C87-G120 PolarHBondContact N-O 2.76Å; C87-G120 PolarHBondContact O-N 3.48Å; C87-I128 HydrophobicContact CB-CG2 3.98Å; C87-T131 WeakPolarHBondContact SG-CG2 3.48Å; C87-A132 HydrophobicContact CB-CB 4.35Å; C87-A132 VanDerWaalsContact SG-CA 3.53Å; C87-A132 PolarHBondContact SG-N 3.43Å; C87-A132 VanDerWaalsContact SG-N 3.44Å; C87-I189 CarbonylContact C-O 3.45Å; C87-I189 VanDerWaalsContact CA-O 3.24Å; C87-I189 WeakPolarHBondContact CA-O 3.21Å; C87-Y191 HydrophobicContact CB-CD2 4.39Å; C87-Y191 HydrophobicContact CB-CE2 4.22Å |
| 88 | S | 97.5 | Very high | 91 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.1 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | P117 P118 I189 Y190 Y191 | S88-P117 WeakPolarHBondContact OG-CB 3.2Å; S88-P117 WeakPolarHBondContact OG-CD 3.22Å; S88-P117 WeakPolarHBondContact OG-CG 3.45Å; S88-P117 PolarHBondContact OG-O 3.26Å; S88-P118 CarbonylContact C-O 3.57Å; S88-P118 WeakPolarHBondContact CA-O 3.43Å; S88-P118 PolarHBondContact OG-O 3.1Å; S88-I189 PolarHBondContact N-O 3.43Å; S88-Y190 CarbonylContact O-C 3.57Å; S88-Y190 VanDerWaalsContact O-CA 3.32Å; S88-Y190 WeakPolarHBondContact O-CA 3.24Å; S88-Y191 PolarHBondContact O-N 2.98Å |
| 89 | C | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 103.9 | -166.1 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | L91 P117 P118 A132 L136 V193 | C89-L91 VanDerWaalsContact C-N 3.25Å; C89-L91 PolarHBondContact O-N 3.15Å; C89-P117 WeakPolarHBondContact O-CB 3.28Å; C89-P118 PolarHBondContact N-O 2.67Å; C89-A132 VanDerWaalsContact SG-CA 3.56Å; C89-A132 WeakPolarHBondContact SG-CB 3.34Å; C89-A132 PolarHBondContact SG-O 3.38Å; C89-L136 HydrophobicContact CB-CD1 3.72Å; C89-L136 HydrophobicContact CB-CD2 3.71Å; C89-L136 HydrophobicContact CB-CG 3.61Å; C89-V193 HydrophobicContact CB-CG2 4.05Å |
| 90 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 87.6 | 165.3 | -73.9 | 175.3 | 0 | 0 | 0 | 108.7 | V99 L101 P117 L160 Y191 V193 A333 I334 W337 | L90-V99 HydrophobicContact CD2-CG2 4.37Å; L90-L101 HydrophobicContact CD2-CD2 4.25Å; L90-P117 HydrophobicContact CD2-CB 4.06Å; L90-P117 HydrophobicContact CD2-CG 3.55Å; L90-P117 HydrophobicContact CG-CG 4.12Å; L90-L160 HydrophobicContact CD1-CD2 3.63Å; L90-Y191 PolarHBondContact N-O 3.27Å; L90-V193 PolarHBondContact O-N 3.33Å; L90-A333 HydrophobicContact CD1-CB 3.74Å; L90-I334 HydrophobicContact CD2-CG1 4.11Å; L90-W337 HydrophobicContact CD1-CB 4.05Å |
| 91 | L | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.4 | 176.6 | -178.8 | 68.4 | 0 | 0 | 0 | 110.1 | C89 V99 F100 L136 L140 V193 W195 | C89-L91 VanDerWaalsContact C-N 3.25Å; C89-L91 PolarHBondContact O-N 3.15Å; L91-V99 CarbonylContact O-C 3.56Å; L91-V99 WeakPolarHBondContact O-CA 3.41Å; L91-F100 HydrophobicContact CB-CB 4.48Å; L91-F100 HydrophobicContact CB-CD2 4.27Å; L91-F100 HydrophobicContact CD2-CD2 3.77Å; L91-F100 HydrophobicContact CD2-CE2 4.3Å; L91-F100 HydrophobicContact CD2-CG 4.46Å; L91-F100 HydrophobicContact CG-CD2 3.87Å; L91-F100 HydrophobicContact CG-CE2 4.49Å; L91-F100 PolarHBondContact O-N 2.87Å; L91-L136 HydrophobicContact CB-CD2 4.1Å; L91-L136 HydrophobicContact CD2-CD2 4.23Å; L91-L140 HydrophobicContact CD2-CD1 3.78Å; L91-V193 WeakPolarHBondContact CA-O 3.24Å; L91-V193 HydrophobicContact CD1-CB 4.21Å; L91-V193 HydrophobicContact CD1-CG1 3.9Å; L91-W195 HydrophobicContact CD1-CB 4.04Å; L91-W195 HydrophobicContact CD1-CE3 4.41Å; L91-W195 HydrophobicContact CD2-CE3 4.37Å |
| 92 | H | 93.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 13.9 Ų | 13.9 | 11% | 0.111 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154 | 171.1 | 63.6 | 100 | 0 | 0 | 0 | 110.7 | G98 V99 S192 V193 N194 W195 W337 | H92-G98 WeakPolarHBondContact CB-O 3.49Å; H92-V99 HydrophobicContact CB-CG1 4.33Å; H92-S192 PolarHBondContact NE2-OG 3.16Å; H92-S192 VanDerWaalsContact NE2-OG 3.12Å; H92-V193 PolarHBondContact CD2-O 2.82Å; H92-V193 VanDerWaalsContact CD2-O 3.24Å; H92-V193 PolarHBondContact N-O 2.95Å; H92-N194 WeakPolarHBondContact CE1-CB 3.42Å; H92-N194 PolarHBondContact CE1-OD1 3.46Å; H92-N194 PolarHBondContact ND1-OD1 2.77Å; H92-N194 WeakPolarHBondContact O-CA 3.26Å; H92-W195 PolarHBondContact O-N 3.19Å; H92-W337 HydrophobicContact CB-CZ2 4.3Å; H92-W337 AromaticContact CD2-NE1 3.44Å; H92-W337 PolarHBondContact CD2-NE1 3.42Å; H92-W337 AromaticContact CG-NE1 3.93Å; H92-W337 AromaticContact NE2-NE1 3.69Å |
| 93 | L | 90.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 11.3 Ų | 11.3 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 141.9 | 178.9 | -62.5 | 171.9 | 0 | 0 | 0 | 109.9 | G95 L96 F100 W195 L212 | L93-G95 PolarHBondContact O-N 2.98Å; L93-L96 HydrophobicContact CB-CB 4.26Å; L93-L96 HydrophobicContact CB-CD1 4.07Å; L93-L96 HydrophobicContact CB-CG 4.4Å; L93-L96 HydrophobicContact CD1-CD1 3.73Å; L93-L96 HydrophobicContact CG-CD1 4.5Å; L93-L96 PolarHBondContact O-N 3.19Å; L93-F100 HydrophobicContact CD1-CE2 3.97Å; L93-F100 HydrophobicContact CD1-CZ 3.91Å; L93-F100 HydrophobicContact CD2-CE2 4.26Å; L93-F100 HydrophobicContact CG-CE2 3.81Å; L93-F100 HydrophobicContact CG-CZ 4.28Å; L93-W195 HydrophobicContact CD2-CB 4.14Å; L93-W195 HydrophobicContact CD2-CD2 4.06Å; L93-W195 HydrophobicContact CD2-CE3 3.7Å; L93-W195 HydrophobicContact CD2-CG 4.28Å; L93-W195 HydrophobicContact CD2-CZ3 4.45Å; L93-L212 HydrophobicContact CD1-CD2 4.18Å |
| 94 | S | 87.8 | Confident | 94.5 | Very high | 39 Ų | 39 | 13.2 Ų | 13.2 | 27% | 0.273 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 126.5 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | L96 N194 W195 S196 | S94-L96 VanDerWaalsContact C-N 3.27Å; S94-L96 PolarHBondContact O-N 2.79Å; S94-N194 WeakPolarHBondContact CA-OD1 3.41Å; S94-N194 PolarHBondContact N-OD1 3.46Å; S94-N194 PolarHBondContact OG-ND2 2.78Å; S94-N194 PolarHBondContact OG-OD1 3.29Å; S94-W195 PolarHBondContact N-O 3.22Å; S94-S196 PolarHBondContact OG-OG 2.84Å |
| 95 | G | 85.8 | Confident | 94.3 | Very high | 64 Ų | 64 | 13.1 Ų | 13.1 | 66% | 0.66 | 9% | 0.087 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L93 L203 | L93-G95 PolarHBondContact O-N 2.98Å; G95-L203 VanDerWaalsContact CA-CD1 3.44Å |
| 96 | L | 88.8 | Confident | 93.9 | Very high | 17 Ų | 17 | 15.7 Ų | 15.7 | 9% | 0.089 | 10% | 0.097 | C | C | . | . | trans | -105 | 139.7 | 165.5 | -66.5 | -179.8 | 0 | 0 | 0 | 110.6 | L93 S94 G98 L203 V208 W227 | L93-L96 HydrophobicContact CB-CB 4.26Å; L93-L96 HydrophobicContact CB-CD1 4.07Å; L93-L96 HydrophobicContact CB-CG 4.4Å; L93-L96 HydrophobicContact CD1-CD1 3.73Å; L93-L96 HydrophobicContact CG-CD1 4.5Å; L93-L96 PolarHBondContact O-N 3.19Å; S94-L96 VanDerWaalsContact C-N 3.27Å; S94-L96 PolarHBondContact O-N 2.79Å; L96-G98 PolarHBondContact O-N 2.95Å; L96-L203 HydrophobicContact CD2-CD2 3.81Å; L96-L203 HydrophobicContact CG-CD2 4.07Å; L96-V208 HydrophobicContact CD1-CG1 4.03Å; L96-V208 HydrophobicContact CD2-CG1 4.46Å; L96-V208 HydrophobicContact CD2-CG2 4.25Å; L96-W227 HydrophobicContact CB-CZ2 4.25Å | ||
| 97 | D | 90.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 21.5 Ų | 21.5 | 30% | 0.299 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -98.4 | 71.2 | -176.2 | -168.6 | 24.7 | 0 | 0 | 0 | 112 | P229 R230 | D97-P229 WeakPolarHBondContact O-CA 3.25Å; D97-R230 PolarHBondContact O-N 2.8Å; D97-R230 IonicContact OD1-CZ 3.34Å; D97-R230 IonicContact OD1-NE 3.19Å; D97-R230 PolarHBondContact OD1-NE 3.08Å; D97-R230 IonicContact OD1-NH2 3.52Å; D97-R230 PolarHBondContact OD1-NH2 3.03Å; D97-R230 WeakPolarHBondContact OD2-CB 3.03Å; D97-R230 WeakPolarHBondContact OD2-CD 3.24Å; D97-R230 IonicContact OD2-CZ 2.76Å; D97-R230 IonicContact OD2-NE 3.81Å; D97-R230 PolarHBondContact OD2-NE 2.72Å; D97-R230 IonicContact OD2-NH2 3.7Å |
| 98 | G | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H92 L96 L228 | H92-G98 WeakPolarHBondContact CB-O 3.49Å; L96-G98 PolarHBondContact O-N 2.95Å; G98-L228 CarbonylContact C-O 3.47Å; G98-L228 WeakPolarHBondContact CA-O 3.16Å |
| 99 | V | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 154.6 | -178.7 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | L90 L91 H92 L228 L233 W337 | L90-V99 HydrophobicContact CD2-CG2 4.37Å; L91-V99 CarbonylContact O-C 3.56Å; L91-V99 WeakPolarHBondContact O-CA 3.41Å; H92-V99 HydrophobicContact CB-CG1 4.33Å; V99-L228 PolarHBondContact N-O 3.17Å; V99-L228 PolarHBondContact O-N 2.87Å; V99-L233 HydrophobicContact CB-CD1 4.43Å; V99-L233 HydrophobicContact CG1-CD1 4.07Å; V99-L233 HydrophobicContact CG2-CD1 3.81Å; V99-L233 HydrophobicContact CG2-CD2 3.68Å; V99-L233 HydrophobicContact CG2-CG 4.38Å; V99-W337 HydrophobicContact CG1-CD2 3.78Å; V99-W337 HydrophobicContact CG1-CE3 3.99Å; V99-W337 HydrophobicContact CG1-CG 4.44Å; V99-W337 HydrophobicContact CG1-CH2 3.94Å; V99-W337 HydrophobicContact CG1-CZ2 3.71Å; V99-W337 HydrophobicContact CG1-CZ3 4.06Å |
| 100 | F | 97.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 141.9 | 169.4 | -65.3 | -80.8 | 0 | 0 | 0 | 111.7 | L91 L93 L212 P213 F215 V226 W227 W289 | L91-F100 HydrophobicContact CB-CB 4.48Å; L91-F100 HydrophobicContact CB-CD2 4.27Å; L91-F100 HydrophobicContact CD2-CD2 3.77Å; L91-F100 HydrophobicContact CD2-CE2 4.3Å; L91-F100 HydrophobicContact CD2-CG 4.46Å; L91-F100 HydrophobicContact CG-CD2 3.87Å; L91-F100 HydrophobicContact CG-CE2 4.49Å; L91-F100 PolarHBondContact O-N 2.87Å; L93-F100 HydrophobicContact CD1-CE2 3.97Å; L93-F100 HydrophobicContact CD1-CZ 3.91Å; L93-F100 HydrophobicContact CD2-CE2 4.26Å; L93-F100 HydrophobicContact CG-CE2 3.81Å; L93-F100 HydrophobicContact CG-CZ 4.28Å; F100-L212 HydrophobicContact CE1-CD2 3.98Å; F100-L212 HydrophobicContact CZ-CD2 3.75Å; F100-P213 HydrophobicContact CZ-CG 4.12Å; F100-F215 HydrophobicContact CD1-CE2 4.01Å; F100-F215 AromaticContact CD1-CZ 3.91Å; F100-F215 HydrophobicContact CD1-CZ 3.91Å; F100-F215 HydrophobicContact CE1-CE2 4.06Å; F100-F215 AromaticContact CE1-CZ 3.85Å; F100-F215 HydrophobicContact CE1-CZ 3.85Å; F100-F215 HydrophobicContact CG-CZ 4.3Å; F100-F215 HydrophobicContact CZ-CZ 4.19Å; F100-V226 CarbonylContact C-O 3.51Å; F100-V226 VanDerWaalsContact CA-O 3.3Å; F100-V226 WeakPolarHBondContact CA-O 3.25Å; F100-W227 HydrophobicContact CD1-CB 3.91Å; F100-W227 HydrophobicContact CD1-CG 4.46Å; F100-W227 HydrophobicContact CE1-CB 3.71Å; F100-W227 AromaticContact CE1-CD1 3.76Å; F100-W227 HydrophobicContact CE1-CG 4.11Å; F100-W227 HydrophobicContact CZ-CB 4.5Å; F100-W227 AromaticContact CZ-CD1 3.74Å; F100-W227 HydrophobicContact CZ-CG 4.46Å; F100-W289 AromaticContact CD1-CH2 3.95Å; F100-W289 HydrophobicContact CD1-CH2 3.95Å; F100-W289 AromaticContact CE1-CH2 3.57Å; F100-W289 HydrophobicContact CE1-CH2 3.57Å; F100-W289 AromaticContact CE1-CZ2 3.78Å; F100-W289 HydrophobicContact CE1-CZ2 3.78Å |
| 101 | L | 98.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152 | 162.4 | -59.5 | -178.3 | 0 | 0 | 0 | 109.5 | L90 W115 V116 P117 A225 V226 L228 V326 T330 | L90-L101 HydrophobicContact CD2-CD2 4.25Å; L101-W115 HydrophobicContact CB-CE3 4.28Å; L101-W115 HydrophobicContact CD1-CB 4.32Å; L101-V116 CarbonylContact C-O 3.39Å; L101-P117 HydrophobicContact CD2-CB 4.17Å; L101-P117 HydrophobicContact CD2-CG 3.81Å; L101-A225 CarbonylContact O-C 3.6Å; L101-A225 VanDerWaalsContact O-CA 3.28Å; L101-A225 WeakPolarHBondContact O-CA 3.41Å; L101-V226 HydrophobicContact CB-CG1 4.02Å; L101-V226 PolarHBondContact N-O 3.42Å; L101-V226 PolarHBondContact O-N 3.47Å; L101-L228 HydrophobicContact CD1-CD1 3.6Å; L101-L228 HydrophobicContact CG-CD1 4.12Å; L101-V326 HydrophobicContact CD1-CG1 4.24Å; L101-V326 HydrophobicContact CD1-CG2 3.96Å; L101-T330 HydrophobicContact CD2-CG2 3.85Å |
| 102 | T | 97.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 155 | 169.5 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | W115 V116 P118 E139 L140 V222 A224 A225 | T102-W115 VanDerWaalsContact C-CE3 3.45Å; T102-W115 CarbonylContact O-C 3.51Å; T102-W115 VanDerWaalsContact O-CA 3.3Å; T102-W115 WeakPolarHBondContact O-CA 3.3Å; T102-V116 CarbonylContact C-O 3.56Å; T102-V116 PolarHBondContact N-O 3.21Å; T102-V116 PolarHBondContact O-N 3.41Å; T102-V116 PolarHBondContact OG1-O 3.31Å; T102-P118 HydrophobicContact CG2-CG 3.81Å; T102-E139 PolarHBondContact OG1-OE2 3.06Å; T102-L140 HydrophobicContact CG2-CD2 3.57Å; T102-V222 HydrophobicContact CG2-CB 4.49Å; T102-V222 HydrophobicContact CG2-CG1 3.88Å; T102-A224 CarbonylContact C-O 3.6Å; T102-A224 WeakPolarHBondContact CA-O 3.37Å; T102-A225 HydrophobicContact CG2-CB 4.42Å |
| 103 | R | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.6 | 173 | -163.7 | -179.8 | -172 | 175.5 | 9.6 | 108.9 | G113 W115 V222 C223 A224 E318 G322 S324 | R103-G113 VanDerWaalsContact CG-O 3.22Å; R103-G113 WeakPolarHBondContact CG-O 3.2Å; R103-G113 PolarHBondContact NE-O 3.5Å; R103-W115 HydrophobicContact CB-CD2 3.91Å; R103-W115 HydrophobicContact CB-CE3 3.66Å; R103-W115 HydrophobicContact CB-CH2 3.83Å; R103-W115 HydrophobicContact CB-CZ2 4.06Å; R103-W115 HydrophobicContact CB-CZ3 3.62Å; R103-W115 HydrophobicContact CG-CD2 4.12Å; R103-W115 HydrophobicContact CG-CE3 4.38Å; R103-W115 HydrophobicContact CG-CZ2 4.24Å; R103-V222 WeakPolarHBondContact O-CA 3.31Å; R103-C223 PolarHBondContact O-N 2.9Å; R103-C223 PolarHBondContact O-SG 2.99Å; R103-A224 HydrophobicContact CB-CB 4.07Å; R103-A224 PolarHBondContact N-O 2.81Å; R103-E318 PolarHBondContact NH1-O 3.48Å; R103-G322 PolarHBondContact NH2-O 3.02Å; R103-S324 PolarHBondContact NH2-OG 2.81Å |
| 104 | R | 94.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | trans | -70.1 | 139.9 | 177.3 | -66.5 | 174.1 | 65.5 | 74.8 | -2.5 | 110.7 | M108 S110 Y111 G113 V114 V116 | R104-M108 HydrophobicContact CB-SD 3.9Å; R104-M108 HydrophobicContact CG-SD 4.2Å; R104-M108 PolarHBondContact NH2-SD 3.38Å; R104-S110 PolarHBondContact NE-O 2.82Å; R104-S110 PolarHBondContact NH2-O 3.05Å; R104-Y111 WeakPolarHBondContact CB-O 3.46Å; R104-Y111 VanDerWaalsContact CD-O 3.31Å; R104-Y111 WeakPolarHBondContact CD-O 3.43Å; R104-Y111 PolarHBondContact NE-O 3.49Å; R104-G113 WeakPolarHBondContact O-CA 3.15Å; R104-G113 PolarHBondContact O-N 2.9Å; R104-V114 PolarHBondContact N-O 3.26Å; R104-V116 HydrophobicContact CG-CG2 3.71Å | ||
| 105 | P | 92 | Very high | 91.9 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | trans | -58 | 146.2 | 172.6 | -27.9 | 35.4 | 0 | 0 | 0 | 112.9 | H107 M108 E221 C223 | P105-H107 WeakPolarHBondContact CB-CE1 3.37Å; P105-H107 WeakPolarHBondContact CB-ND1 3.34Å; P105-H107 PolarHBondContact O-N 2.9Å; P105-H107 VanDerWaalsContact O-N 3.17Å; P105-M108 HydrophobicContact CB-CG 4.37Å; P105-M108 HydrophobicContact CG-CE 4.34Å; P105-M108 WeakPolarHBondContact O-CB 3.38Å; P105-M108 PolarHBondContact O-N 3.13Å; P105-E221 VanDerWaalsContact CD-C 3.44Å; P105-E221 WeakPolarHBondContact CD-O 3.35Å; P105-C223 HydrophobicContact CG-CB 4.32Å | ||
| 106 | W | 88.7 | Confident | 92.4 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 21% | 0.205 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19 | -177.3 | -69 | 101.2 | 0 | 0 | 0 | 114.7 | M108 P112 P307 I309 N321 | W106-M108 VanDerWaalsContact C-N 3.31Å; W106-P112 HydrophobicContact CE3-CB 4.42Å; W106-P112 VanDerWaalsContact O-CB 3.25Å; W106-P112 WeakPolarHBondContact O-CB 3.3Å; W106-P307 HydrophobicContact CH2-CB 3.6Å; W106-P307 HydrophobicContact CH2-CG 3.67Å; W106-P307 HydrophobicContact CZ2-CB 4.48Å; W106-P307 HydrophobicContact CZ2-CG 4.35Å; W106-P307 HydrophobicContact CZ3-CB 4.11Å; W106-I309 HydrophobicContact CE3-CG1 4.32Å; W106-I309 HydrophobicContact CZ3-CG1 4.12Å; W106-N321 HydrophobicContact CZ2-CB 3.6Å; W106-N321 PolarHBondContact NE1-ND2 2.92Å |
| 107 | H | 88.1 | Confident | 92.9 | Very high | 131 Ų | 131 | 31 Ų | 31 | 61% | 0.606 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.1 | 179.8 | 67.4 | -96.7 | 0 | 0 | 0 | 113.1 | P105 | P105-H107 WeakPolarHBondContact CB-CE1 3.37Å; P105-H107 WeakPolarHBondContact CB-ND1 3.34Å; P105-H107 PolarHBondContact O-N 2.9Å; P105-H107 VanDerWaalsContact O-N 3.17Å |
| 108 | M | 88.6 | Confident | 93.1 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | trans | -67.6 | 142.5 | -178.9 | -73.2 | -168.5 | 163.2 | 0 | 0 | 112.7 | R104 P105 W106 S110 N220 E221 | R104-M108 HydrophobicContact CB-SD 3.9Å; R104-M108 HydrophobicContact CG-SD 4.2Å; R104-M108 PolarHBondContact NH2-SD 3.38Å; P105-M108 HydrophobicContact CB-CG 4.37Å; P105-M108 HydrophobicContact CG-CE 4.34Å; P105-M108 WeakPolarHBondContact O-CB 3.38Å; P105-M108 PolarHBondContact O-N 3.13Å; W106-M108 VanDerWaalsContact C-N 3.31Å; M108-S110 VanDerWaalsContact C-N 3.31Å; M108-S110 PolarHBondContact O-N 2.94Å; M108-N220 WeakPolarHBondContact CE-O 3.48Å; M108-E221 WeakPolarHBondContact CE-O 3.38Å; M108-E221 VanDerWaalsContact CE-OE2 3.25Å; M108-E221 WeakPolarHBondContact CE-OE2 3.3Å | ||
| 109 | R | 85.3 | Confident | 93.2 | Very high | 220 Ų | 220 | 29 Ų | 29 | 83% | 0.83 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -68.6 | -28.5 | -176.6 | -66.3 | -172.5 | -66 | 171 | -1.3 | 113.7 | Y167 | R109-Y167 VanDerWaalsContact O-CE1 3.26Å; R109-Y167 WeakPolarHBondContact O-CE1 3.45Å |
| 110 | S | 87 | Confident | 93.1 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 20% | 0.196 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -124.1 | 136 | 178.8 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | R104 M108 | R104-S110 PolarHBondContact NE-O 2.82Å; R104-S110 PolarHBondContact NH2-O 3.05Å; M108-S110 VanDerWaalsContact C-N 3.31Å; M108-S110 PolarHBondContact O-N 2.94Å |
| 111 | Y | 89 | Confident | 92.9 | Very high | 40 Ų | 40 | 33.8 Ų | 33.8 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 48.1 | 47.6 | 179.6 | -55.8 | -81.2 | 0 | 0 | 0 | 115.2 | R104 G113 V114 S166 Y167 T327 | R104-Y111 WeakPolarHBondContact CB-O 3.46Å; R104-Y111 VanDerWaalsContact CD-O 3.31Å; R104-Y111 WeakPolarHBondContact CD-O 3.43Å; R104-Y111 PolarHBondContact NE-O 3.49Å; Y111-G113 PolarHBondContact O-N 3.46Å; Y111-V114 PolarHBondContact O-N 3.26Å; Y111-S166 PolarHBondContact OH-O 2.89Å; Y111-Y167 AromaticContact CD1-CD2 3.54Å; Y111-Y167 HydrophobicContact CD1-CD2 3.54Å; Y111-Y167 HydrophobicContact CD1-CE2 4.04Å; Y111-Y167 AromaticContact CD2-CD2 3.92Å; Y111-Y167 HydrophobicContact CD2-CD2 3.92Å; Y111-Y167 HydrophobicContact CD2-CG 4.2Å; Y111-Y167 AromaticContact CE1-CD2 3.71Å; Y111-Y167 HydrophobicContact CE1-CD2 3.71Å; Y111-Y167 HydrophobicContact CE2-CD2 4.09Å; Y111-Y167 HydrophobicContact CE2-CG 4.22Å; Y111-Y167 AromaticContact CG-CD2 3.68Å; Y111-Y167 HydrophobicContact CG-CD2 3.68Å; Y111-Y167 HydrophobicContact CG-CE2 4.18Å; Y111-Y167 HydrophobicContact CG-CG 4.39Å; Y111-T327 HydrophobicContact CD1-CG2 3.69Å; Y111-T327 HydrophobicContact CE1-CG2 3.9Å; Y111-T327 HydrophobicContact CG-CG2 4.18Å |
| 112 | P | 89.2 | Confident | 92.8 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 134.4 | -179.9 | 29.3 | -34.7 | 0 | 0 | 0 | 111.2 | W106 V114 Y167 I309 | W106-P112 HydrophobicContact CE3-CB 4.42Å; W106-P112 VanDerWaalsContact O-CB 3.25Å; W106-P112 WeakPolarHBondContact O-CB 3.3Å; P112-V114 PolarHBondContact O-N 2.91Å; P112-Y167 VanDerWaalsContact CD-OH 3.24Å; P112-Y167 WeakPolarHBondContact CD-OH 3.49Å; P112-I309 HydrophobicContact CG-CD1 3.34Å; P112-I309 HydrophobicContact CG-CG1 4.05Å |
| 113 | G | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -5.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R103 R104 Y111 S324 | R103-G113 VanDerWaalsContact CG-O 3.22Å; R103-G113 WeakPolarHBondContact CG-O 3.2Å; R103-G113 PolarHBondContact NE-O 3.5Å; R104-G113 WeakPolarHBondContact O-CA 3.15Å; R104-G113 PolarHBondContact O-N 2.9Å; Y111-G113 PolarHBondContact O-N 3.46Å; G113-S324 WeakPolarHBondContact O-CB 3.43Å; G113-S324 PolarHBondContact O-OG 3.42Å |
| 114 | V | 93 | Very high | 92.3 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | trans | -80 | 147.7 | -176.9 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | R104 Y111 P112 P325 T327 | R104-V114 PolarHBondContact N-O 3.26Å; Y111-V114 PolarHBondContact O-N 3.26Å; P112-V114 PolarHBondContact O-N 2.91Å; V114-P325 WeakPolarHBondContact CG1-O 3.36Å; V114-T327 HydrophobicContact CB-CG2 4.43Å; V114-T327 HydrophobicContact CG1-CG2 3.48Å; V114-T327 VanDerWaalsContact CG1-CG2 3.48Å | ||
| 115 | W | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.8 | 173.7 | -65.1 | 98.9 | 0 | 0 | 0 | 111.6 | L101 T102 R103 A224 V226 Y281 L297 I298 P325 V326 T327 | L101-W115 HydrophobicContact CB-CE3 4.28Å; L101-W115 HydrophobicContact CD1-CB 4.32Å; T102-W115 VanDerWaalsContact C-CE3 3.45Å; T102-W115 CarbonylContact O-C 3.51Å; T102-W115 VanDerWaalsContact O-CA 3.3Å; T102-W115 WeakPolarHBondContact O-CA 3.3Å; R103-W115 HydrophobicContact CB-CD2 3.91Å; R103-W115 HydrophobicContact CB-CE3 3.66Å; R103-W115 HydrophobicContact CB-CH2 3.83Å; R103-W115 HydrophobicContact CB-CZ2 4.06Å; R103-W115 HydrophobicContact CB-CZ3 3.62Å; R103-W115 HydrophobicContact CG-CD2 4.12Å; R103-W115 HydrophobicContact CG-CE3 4.38Å; R103-W115 HydrophobicContact CG-CZ2 4.24Å; W115-A224 HydrophobicContact CH2-CB 3.86Å; W115-A224 HydrophobicContact CZ3-CB 4.27Å; W115-V226 HydrophobicContact CD2-CG1 4.36Å; W115-V226 HydrophobicContact CE3-CG1 3.65Å; W115-V226 HydrophobicContact CH2-CB 4.02Å; W115-V226 HydrophobicContact CH2-CG1 4Å; W115-V226 HydrophobicContact CZ3-CB 3.82Å; W115-V226 HydrophobicContact CZ3-CG1 3.45Å; W115-V226 VanDerWaalsContact CZ3-CG1 3.45Å; W115-Y281 HydrophobicContact CH2-CD2 4.14Å; W115-Y281 HydrophobicContact CH2-CE2 4.01Å; W115-L297 HydrophobicContact CZ2-CB 4.12Å; W115-L297 PolarHBondContact NE1-O 3.46Å; W115-I298 HydrophobicContact CG-CG1 4.29Å; W115-P325 PolarHBondContact N-O 3.01Å; W115-V326 HydrophobicContact CB-CG2 3.96Å; W115-V326 WeakPolarHBondContact O-CA 3.39Å; W115-T327 PolarHBondContact O-N 2.78Å |
| 116 | V | 97.3 | Very high | 92 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.4 | 178.8 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | L101 T102 R104 T327 | L101-V116 CarbonylContact C-O 3.39Å; T102-V116 CarbonylContact C-O 3.56Å; T102-V116 PolarHBondContact N-O 3.21Å; T102-V116 PolarHBondContact O-N 3.41Å; T102-V116 PolarHBondContact OG1-O 3.31Å; R104-V116 HydrophobicContact CG-CG2 3.71Å; V116-T327 HydrophobicContact CG1-CG2 3.39Å |
| 117 | P | 97.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | trans | -72.8 | 156.2 | 165.8 | -4.8 | 22.3 | 0 | 0 | 0 | 109.3 | S88 C89 L90 L101 Y190 T330 | S88-P117 WeakPolarHBondContact OG-CB 3.2Å; S88-P117 WeakPolarHBondContact OG-CD 3.22Å; S88-P117 WeakPolarHBondContact OG-CG 3.45Å; S88-P117 PolarHBondContact OG-O 3.26Å; C89-P117 WeakPolarHBondContact O-CB 3.28Å; L90-P117 HydrophobicContact CD2-CB 4.06Å; L90-P117 HydrophobicContact CD2-CG 3.55Å; L90-P117 HydrophobicContact CG-CG 4.12Å; L101-P117 HydrophobicContact CD2-CB 4.17Å; L101-P117 HydrophobicContact CD2-CG 3.81Å; P117-Y190 HydrophobicContact CG-CE1 4.22Å; P117-T330 WeakPolarHBondContact CD-OG1 3.43Å; P117-T330 HydrophobicContact CG-CG2 3.8Å | ||
| 118 | P | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -52.3 | 142.8 | 175.1 | -25.1 | 32.1 | 0 | 0 | 0 | 112.8 | S88 C89 T102 L136 E139 L140 | S88-P118 CarbonylContact C-O 3.57Å; S88-P118 WeakPolarHBondContact CA-O 3.43Å; S88-P118 PolarHBondContact OG-O 3.1Å; C89-P118 PolarHBondContact N-O 2.67Å; T102-P118 HydrophobicContact CG2-CG 3.81Å; P118-L136 HydrophobicContact CB-CD2 3.79Å; P118-L136 HydrophobicContact CB-CG 4.44Å; P118-L136 HydrophobicContact CG-CD2 3.82Å; P118-E139 WeakPolarHBondContact CA-OE2 3.34Å; P118-E139 HydrophobicContact CB-CB 4.41Å; P118-E139 WeakPolarHBondContact CB-OE2 3.42Å; P118-L140 HydrophobicContact CG-CD1 3.84Å; P118-L140 HydrophobicContact CG-CD2 4.4Å; P118-L140 HydrophobicContact CG-CG 4.06Å |
| 119 | G | 96.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | trans | 159.2 | 158.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C87 E139 | C87-G119 CarbonylContact O-C 3.59Å; C87-G119 VanDerWaalsContact O-CA 3.25Å; C87-G119 WeakPolarHBondContact O-CA 3.12Å; G119-E139 PolarHBondContact N-OE1 3.02Å | ||
| 120 | G | 95 | Very high | 92.6 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | trans | -159 | -162.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A86 C87 E135 | A86-G120 CarbonylContact C-O 3.43Å; A86-G120 WeakPolarHBondContact CA-O 3.36Å; A86-G120 VanDerWaalsContact CB-O 3.23Å; A86-G120 WeakPolarHBondContact CB-O 3.25Å; C87-G120 PolarHBondContact N-O 2.76Å; C87-G120 PolarHBondContact O-N 3.48Å; G120-E135 VanDerWaalsContact CA-CD 3.42Å; G120-E135 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 121 | H | 94.4 | Very high | 92.8 | Very high | 87 Ų | 87 | 34.5 Ų | 34.5 | 40% | 0.403 | 19% | 0.189 | S | C | . | . | B | Isolated β-bridge | trans | -76.2 | 142 | -175.2 | -66.5 | 83.4 | 0 | 0 | 0 | 111.6 | M1 T131 R134 H186 | M1-H121 HydrophobicContact CE-CB 4.09Å; H121-T131 WeakPolarHBondContact O-CG2 3.3Å; H121-R134 PolarHBondContact O-NH2 3.19Å; H121-H186 AromaticContact CD2-NE2 3.32Å; H121-H186 PolarHBondContact CD2-NE2 3.36Å; H121-H186 VanDerWaalsContact CD2-NE2 3.32Å; H121-H186 AromaticContact CE1-NE2 3.78Å; H121-H186 AromaticContact NE2-CE1 3.71Å; H121-H186 AromaticContact NE2-NE2 2.93Å; H121-H186 PolarHBondContact NE2-NE2 2.84Å |
| 122 | C | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 126.1 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | M1 V2 V85 I128 T131 | M1-C122 CarbonylContact C-O 3.42Å; M1-C122 WeakPolarHBondContact CA-O 3.46Å; V2-C122 HydrophobicContact CB-CB 3.9Å; V2-C122 HydrophobicContact CG2-CB 3.72Å; V2-C122 PolarHBondContact N-O 2.85Å; V85-C122 PolarHBondContact O-N 2.75Å; V85-C122 VanDerWaalsContact O-N 3.09Å; C122-I128 HydrophobicContact CB-CG1 4.41Å; C122-T131 HydrophobicContact CB-CG2 4.32Å |
| 123 | E | 92.1 | Very high | 93 | Very high | 114 Ų | 114 | 33.1 Ų | 33.1 | 53% | 0.533 | 18% | 0.183 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 157.6 | 176.6 | -62.1 | -158.1 | 153.8 | 0 | 0 | 112.2 | V2 N125 E126 | V2-E123 VanDerWaalsContact CG2-O 3.25Å; V2-E123 WeakPolarHBondContact CG2-O 3.21Å; E123-N125 PolarHBondContact O-N 3.1Å; E123-E126 HydrophobicContact CB-CB 4.01Å; E123-E126 PolarHBondContact N-OE2 3.4Å; E123-E126 PolarHBondContact O-N 3.22Å |
| 124 | A | 90.2 | Very high | 93 | Very high | 39 Ų | 39 | 35.1 Ų | 35.1 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 134.7 | 179 | 0 | 0 | 0 | 0 | 0 | 109.3 | M1 E126 | M1-A124 VanDerWaalsContact N-CB 3.31Å; A124-E126 PolarHBondContact O-N 3.25Å |
| 125 | N | 89.5 | Confident | 93.1 | Very high | 115 Ų | 115 | 35.2 Ų | 35.2 | 62% | 0.615 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 8 | -177.5 | -41.5 | -61.3 | 0 | 0 | 0 | 115.2 | S37 E123 | S37-N125 WeakPolarHBondContact CB-OD1 3.15Å; S37-N125 PolarHBondContact O-N 3.05Å; E123-N125 PolarHBondContact O-N 3.1Å |
| 126 | E | 91.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -95.6 | 121.6 | 168.9 | -176.1 | -175.8 | -135.8 | 0 | 0 | 108.3 | Q35 E123 A124 I128 D130 T131 R134 | Q35-E126 PolarHBondContact NE2-O 3.49Å; E123-E126 HydrophobicContact CB-CB 4.01Å; E123-E126 PolarHBondContact N-OE2 3.4Å; E123-E126 PolarHBondContact O-N 3.22Å; A124-E126 PolarHBondContact O-N 3.25Å; E126-I128 PolarHBondContact O-N 2.94Å; E126-D130 HydrophobicContact CG-CB 4.01Å; E126-T131 VanDerWaalsContact CD-OG1 3.24Å; E126-T131 WeakPolarHBondContact OE2-CA 3.2Å; E126-T131 WeakPolarHBondContact OE2-CB 3.07Å; E126-T131 PolarHBondContact OE2-OG1 3.32Å; E126-R134 IonicContact OE1-CZ 3.1Å; E126-R134 IonicContact OE1-NE 2.72Å; E126-R134 PolarHBondContact OE1-NE 2.93Å; E126-R134 IonicContact OE1-NH2 3.78Å; E126-R134 IonicContact OE2-CZ 2.69Å; E126-R134 IonicContact OE2-NE 3.6Å; E126-R134 PolarHBondContact OE2-NE 3.24Å; E126-R134 IonicContact OE2-NH2 3.13Å; E126-R134 PolarHBondContact OE2-NH2 2.93Å |
| 127 | P | 90.7 | Very high | 92.4 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | trans | -53.7 | 137.2 | 170.6 | -26.2 | 35.5 | 0 | 0 | 0 | 111.2 | Q35 Q129 D130 T131 | Q35-P127 VanDerWaalsContact OE1-CA 3.29Å; P127-Q129 PolarHBondContact O-N 2.85Å; P127-D130 HydrophobicContact CB-CB 4.33Å; P127-D130 WeakPolarHBondContact CD-OD2 3.47Å; P127-D130 WeakPolarHBondContact CG-OD2 3.3Å; P127-D130 WeakPolarHBondContact O-CA 3.45Å; P127-D130 WeakPolarHBondContact O-CB 3.43Å; P127-D130 PolarHBondContact O-N 3.41Å; P127-T131 PolarHBondContact O-N 3.44Å; P127-T131 PolarHBondContact O-OG1 2.98Å | ||
| 128 | I | 91.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -31.2 | -176.6 | -66.6 | 160.1 | 0 | 0 | 0 | 111.8 | Q35 L40 V85 C87 C122 E126 T131 A132 I189 Y191 | Q35-I128 HydrophobicContact CB-CD1 4.36Å; Q35-I128 HydrophobicContact CG-CD1 4.36Å; Q35-I128 VanDerWaalsContact OE1-CG1 3.31Å; L40-I128 HydrophobicContact CD1-CD1 3.63Å; L40-I128 HydrophobicContact CD2-CD1 4.16Å; L40-I128 HydrophobicContact CG-CD1 4.34Å; V85-I128 HydrophobicContact CG1-CD1 4.24Å; C87-I128 HydrophobicContact CB-CG2 3.98Å; C122-I128 HydrophobicContact CB-CG1 4.41Å; E126-I128 PolarHBondContact O-N 2.94Å; I128-T131 WeakPolarHBondContact O-CB 3.32Å; I128-T131 PolarHBondContact O-N 3.44Å; I128-A132 PolarHBondContact O-N 3.2Å; I128-I189 HydrophobicContact CG2-CB 4.3Å; I128-I189 HydrophobicContact CG2-CG1 4.45Å; I128-Y191 HydrophobicContact CG2-CE2 3.63Å; I128-Y191 VanDerWaalsContact CG2-OH 3.28Å; I128-Y191 WeakPolarHBondContact CG2-OH 3.5Å |
| 129 | Q | 90 | Very high | 92 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 174.5 | -69 | 177.1 | -16.8 | 0 | 0 | 112.5 | P127 A132 F133 I157 Y191 | P127-Q129 PolarHBondContact O-N 2.85Å; Q129-A132 WeakPolarHBondContact O-CB 3.45Å; Q129-A132 PolarHBondContact O-N 3.27Å; Q129-F133 WeakPolarHBondContact O-CD2 3.43Å; Q129-F133 PolarHBondContact O-N 3.23Å; Q129-F133 VanDerWaalsContact O-N 3.17Å; Q129-I157 HydrophobicContact CB-CD1 4.44Å; Q129-Y191 HydrophobicContact CG-CE1 3.7Å |
| 130 | D | 90.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 38.6 Ų | 38.6 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71 | -39.6 | 176.4 | -65 | -12.5 | 0 | 0 | 0 | 110.2 | E126 P127 A132 F133 R134 | E126-D130 HydrophobicContact CG-CB 4.01Å; P127-D130 HydrophobicContact CB-CB 4.33Å; P127-D130 WeakPolarHBondContact CD-OD2 3.47Å; P127-D130 WeakPolarHBondContact CG-OD2 3.3Å; P127-D130 WeakPolarHBondContact O-CA 3.45Å; P127-D130 WeakPolarHBondContact O-CB 3.43Å; P127-D130 PolarHBondContact O-N 3.41Å; D130-A132 VanDerWaalsContact C-N 3.28Å; D130-A132 PolarHBondContact O-N 3.35Å; D130-F133 PolarHBondContact O-N 3.41Å; D130-R134 WeakPolarHBondContact O-CB 3.43Å; D130-R134 PolarHBondContact O-N 3.34Å |
| 131 | T | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.1 | -48.1 | 168.7 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | C87 H121 C122 E126 P127 I128 F133 R134 E135 | C87-T131 WeakPolarHBondContact SG-CG2 3.48Å; H121-T131 WeakPolarHBondContact O-CG2 3.3Å; C122-T131 HydrophobicContact CB-CG2 4.32Å; E126-T131 VanDerWaalsContact CD-OG1 3.24Å; E126-T131 WeakPolarHBondContact OE2-CA 3.2Å; E126-T131 WeakPolarHBondContact OE2-CB 3.07Å; E126-T131 PolarHBondContact OE2-OG1 3.32Å; P127-T131 PolarHBondContact O-N 3.44Å; P127-T131 PolarHBondContact O-OG1 2.98Å; I128-T131 WeakPolarHBondContact O-CB 3.32Å; I128-T131 PolarHBondContact O-N 3.44Å; T131-F133 VanDerWaalsContact C-N 3.32Å; T131-F133 PolarHBondContact O-N 3.34Å; T131-R134 VanDerWaalsContact CG2-NH2 3.3Å; T131-R134 PolarHBondContact O-N 3.05Å; T131-E135 HydrophobicContact CG2-CG 4.14Å; T131-E135 WeakPolarHBondContact O-CB 3.35Å; T131-E135 WeakPolarHBondContact O-CG 3.12Å; T131-E135 PolarHBondContact O-N 3.09Å |
| 132 | A | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C87 C89 I128 Q129 D130 L136 I157 Y191 | C87-A132 HydrophobicContact CB-CB 4.35Å; C87-A132 VanDerWaalsContact SG-CA 3.53Å; C87-A132 PolarHBondContact SG-N 3.43Å; C87-A132 VanDerWaalsContact SG-N 3.44Å; C89-A132 VanDerWaalsContact SG-CA 3.56Å; C89-A132 WeakPolarHBondContact SG-CB 3.34Å; C89-A132 PolarHBondContact SG-O 3.38Å; I128-A132 PolarHBondContact O-N 3.2Å; Q129-A132 WeakPolarHBondContact O-CB 3.45Å; Q129-A132 PolarHBondContact O-N 3.27Å; D130-A132 VanDerWaalsContact C-N 3.28Å; D130-A132 PolarHBondContact O-N 3.35Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 WeakPolarHBondContact O-CG 3.06Å; A132-L136 PolarHBondContact O-N 3.33Å; A132-I157 HydrophobicContact CB-CD1 3.79Å; A132-Y191 HydrophobicContact CB-CD2 4.02Å; A132-Y191 HydrophobicContact CB-CE2 4.39Å |
| 133 | F | 90.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 175.1 | -72 | -57.8 | 0 | 0 | 0 | 113 | Q129 D130 T131 L136 T137 M152 C155 I157 V193 | Q129-F133 WeakPolarHBondContact O-CD2 3.43Å; Q129-F133 PolarHBondContact O-N 3.23Å; Q129-F133 VanDerWaalsContact O-N 3.17Å; D130-F133 PolarHBondContact O-N 3.41Å; T131-F133 VanDerWaalsContact C-N 3.32Å; T131-F133 PolarHBondContact O-N 3.34Å; F133-L136 HydrophobicContact CD1-CD1 4.4Å; F133-L136 WeakPolarHBondContact O-CB 3.14Å; F133-L136 PolarHBondContact O-N 2.82Å; F133-T137 WeakPolarHBondContact O-CG2 3.42Å; F133-T137 PolarHBondContact O-N 2.94Å; F133-T137 PolarHBondContact O-OG1 3.25Å; F133-M152 HydrophobicContact CB-CG 4.26Å; F133-M152 HydrophobicContact CD1-CG 4.4Å; F133-M152 HydrophobicContact CD2-CG 4.43Å; F133-M152 HydrophobicContact CG-CG 4.14Å; F133-C155 HydrophobicContact CE1-CB 3.68Å; F133-C155 HydrophobicContact CZ-CB 4.27Å; F133-I157 HydrophobicContact CE1-CB 4.39Å; F133-I157 HydrophobicContact CE1-CD1 4.49Å; F133-I157 HydrophobicContact CE2-CB 4.19Å; F133-I157 HydrophobicContact CE2-CD1 4.11Å; F133-I157 HydrophobicContact CE2-CG2 3.7Å; F133-I157 HydrophobicContact CZ-CB 3.65Å; F133-I157 HydrophobicContact CZ-CD1 4.08Å; F133-I157 HydrophobicContact CZ-CG1 4.47Å; F133-I157 HydrophobicContact CZ-CG2 3.56Å; F133-V193 HydrophobicContact CE1-CG1 4.22Å |
| 134 | R | 92.1 | Very high | 87.2 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 176.6 | 177.7 | 178.5 | 52.2 | 68 | -0.3 | 110.8 | H121 E126 D130 T131 L136 T137 E138 | H121-R134 PolarHBondContact O-NH2 3.19Å; E126-R134 IonicContact OE1-CZ 3.1Å; E126-R134 IonicContact OE1-NE 2.72Å; E126-R134 PolarHBondContact OE1-NE 2.93Å; E126-R134 IonicContact OE1-NH2 3.78Å; E126-R134 IonicContact OE2-CZ 2.69Å; E126-R134 IonicContact OE2-NE 3.6Å; E126-R134 PolarHBondContact OE2-NE 3.24Å; E126-R134 IonicContact OE2-NH2 3.13Å; E126-R134 PolarHBondContact OE2-NH2 2.93Å; D130-R134 WeakPolarHBondContact O-CB 3.43Å; D130-R134 PolarHBondContact O-N 3.34Å; T131-R134 VanDerWaalsContact CG2-NH2 3.3Å; T131-R134 PolarHBondContact O-N 3.05Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.19Å; R134-T137 WeakPolarHBondContact CA-OG1 3.43Å; R134-T137 WeakPolarHBondContact O-CA 3.21Å; R134-T137 PolarHBondContact O-N 2.77Å; R134-T137 PolarHBondContact O-OG1 3.46Å; R134-E138 WeakPolarHBondContact CD-OE1 3.4Å; R134-E138 VanDerWaalsContact CG-CD 3.46Å; R134-E138 HydrophobicContact CG-CG 4.16Å; R134-E138 WeakPolarHBondContact CG-OE1 3.4Å; R134-E138 IonicContact CZ-OE2 3.84Å; R134-E138 IonicContact NH1-OE1 2.81Å; R134-E138 IonicContact NH1-OE2 3.4Å; R134-E138 PolarHBondContact NH1-OE2 3.3Å; R134-E138 WeakPolarHBondContact O-CG 3.21Å; R134-E138 PolarHBondContact O-N 3.1Å |
| 135 | E | 94.1 | Very high | 85 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | -179.7 | -63.9 | -72.7 | 171.1 | 0 | 0 | 111.9 | G120 T131 T137 E138 E139 | G120-E135 VanDerWaalsContact CA-CD 3.42Å; G120-E135 WeakPolarHBondContact CA-OE1 3.48Å; T131-E135 HydrophobicContact CG2-CG 4.14Å; T131-E135 WeakPolarHBondContact O-CB 3.35Å; T131-E135 WeakPolarHBondContact O-CG 3.12Å; T131-E135 PolarHBondContact O-N 3.09Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.08Å; E135-E138 PolarHBondContact O-N 3.02Å; E135-E139 WeakPolarHBondContact O-CB 3.17Å; E135-E139 PolarHBondContact O-N 2.88Å |
| 136 | L | 91.5 | Very high | 82.5 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 171.9 | -83.3 | 170.2 | 0 | 0 | 0 | 112.1 | C89 L91 P118 A132 F133 R134 L140 V193 | C89-L136 HydrophobicContact CB-CD1 3.72Å; C89-L136 HydrophobicContact CB-CD2 3.71Å; C89-L136 HydrophobicContact CB-CG 3.61Å; L91-L136 HydrophobicContact CB-CD2 4.1Å; L91-L136 HydrophobicContact CD2-CD2 4.23Å; P118-L136 HydrophobicContact CB-CD2 3.79Å; P118-L136 HydrophobicContact CB-CG 4.44Å; P118-L136 HydrophobicContact CG-CD2 3.82Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 WeakPolarHBondContact O-CG 3.06Å; A132-L136 PolarHBondContact O-N 3.33Å; F133-L136 HydrophobicContact CD1-CD1 4.4Å; F133-L136 WeakPolarHBondContact O-CB 3.14Å; F133-L136 PolarHBondContact O-N 2.82Å; R134-L136 VanDerWaalsContact C-N 3.34Å; R134-L136 PolarHBondContact O-N 3.19Å; L136-L140 HydrophobicContact CD2-CD1 4.14Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 PolarHBondContact O-N 2.79Å; L136-V193 HydrophobicContact CD1-CB 4.27Å; L136-V193 HydrophobicContact CD1-CG1 3.95Å; L136-V193 HydrophobicContact CD1-CG2 4.02Å |
| 137 | T | 89.5 | Confident | 79.9 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.9 | -37.4 | -178.7 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | F133 R134 E135 G141 L142 H143 | F133-T137 WeakPolarHBondContact O-CG2 3.42Å; F133-T137 PolarHBondContact O-N 2.94Å; F133-T137 PolarHBondContact O-OG1 3.25Å; R134-T137 WeakPolarHBondContact CA-OG1 3.43Å; R134-T137 WeakPolarHBondContact O-CA 3.21Å; R134-T137 PolarHBondContact O-N 2.77Å; R134-T137 PolarHBondContact O-OG1 3.46Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.08Å; T137-G141 WeakPolarHBondContact O-CA 3.42Å; T137-G141 PolarHBondContact O-N 2.71Å; T137-L142 HydrophobicContact CG2-CB 4.26Å; T137-L142 PolarHBondContact O-N 3Å; T137-H143 WeakPolarHBondContact CB-CE1 2.98Å; T137-H143 WeakPolarHBondContact CB-NE2 3.44Å; T137-H143 PolarHBondContact O-CD2 3.43Å; T137-H143 PolarHBondContact OG1-CE1 3.18Å; T137-H143 PolarHBondContact OG1-NE2 3.13Å |
| 138 | E | 91.8 | Very high | 77.7 | Confident | 84 Ų | 84 | 52.7 Ų | 52.7 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.7 | -50.4 | 178 | -73.8 | 172.9 | 164.1 | 0 | 0 | 111.1 | R134 E135 E218 | R134-E138 WeakPolarHBondContact CD-OE1 3.4Å; R134-E138 VanDerWaalsContact CG-CD 3.46Å; R134-E138 HydrophobicContact CG-CG 4.16Å; R134-E138 WeakPolarHBondContact CG-OE1 3.4Å; R134-E138 IonicContact CZ-OE2 3.84Å; R134-E138 IonicContact NH1-OE1 2.81Å; R134-E138 IonicContact NH1-OE2 3.4Å; R134-E138 PolarHBondContact NH1-OE2 3.3Å; R134-E138 WeakPolarHBondContact O-CG 3.21Å; R134-E138 PolarHBondContact O-N 3.1Å; E135-E138 PolarHBondContact O-N 3.02Å; E138-E218 WeakPolarHBondContact O-CB 3.4Å |
| 139 | E | 94.2 | Very high | 75.8 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.023 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -42.6 | -176.5 | -71.9 | -170.5 | -156 | 0 | 0 | 113.1 | T102 P118 G119 E135 L217 E218 E221 V222 | T102-E139 PolarHBondContact OG1-OE2 3.06Å; P118-E139 WeakPolarHBondContact CA-OE2 3.34Å; P118-E139 HydrophobicContact CB-CB 4.41Å; P118-E139 WeakPolarHBondContact CB-OE2 3.42Å; G119-E139 PolarHBondContact N-OE1 3.02Å; E135-E139 WeakPolarHBondContact O-CB 3.17Å; E135-E139 PolarHBondContact O-N 2.88Å; E139-L217 WeakPolarHBondContact O-CA 3.11Å; E139-E218 PolarHBondContact O-N 3.28Å; E139-E221 HydrophobicContact CG-CB 4.07Å; E139-V222 HydrophobicContact CB-CG1 3.89Å; E139-V222 HydrophobicContact CB-CG2 4.38Å; E139-V222 HydrophobicContact CG-CG1 3.93Å; E139-V222 WeakPolarHBondContact O-CG2 3.2Å; E139-V222 WeakPolarHBondContact OE2-CG1 3.12Å |
| 140 | L | 91.8 | Very high | 74.4 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -98.3 | -5.4 | -173.1 | -60.3 | 179 | 0 | 0 | 0 | 113.7 | L91 T102 P118 L136 L142 F215 N216 L217 A225 | L91-L140 HydrophobicContact CD2-CD1 3.78Å; T102-L140 HydrophobicContact CG2-CD2 3.57Å; P118-L140 HydrophobicContact CG-CD1 3.84Å; P118-L140 HydrophobicContact CG-CD2 4.4Å; P118-L140 HydrophobicContact CG-CG 4.06Å; L136-L140 HydrophobicContact CD2-CD1 4.14Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 PolarHBondContact O-N 2.79Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 HydrophobicContact CB-CD1 4.24Å; L140-L142 HydrophobicContact CB-CD2 4.22Å; L140-L142 HydrophobicContact CB-CG 3.81Å; L140-L142 HydrophobicContact CD1-CD1 4.26Å; L140-L142 PolarHBondContact O-N 2.87Å; L140-F215 HydrophobicContact CB-CD1 4.04Å; L140-F215 HydrophobicContact CB-CE1 4.2Å; L140-F215 HydrophobicContact CD1-CE1 4.03Å; L140-F215 HydrophobicContact CD1-CZ 4.11Å; L140-F215 HydrophobicContact CD2-CD2 4.3Å; L140-F215 HydrophobicContact CD2-CE1 4.45Å; L140-F215 HydrophobicContact CD2-CE2 4.2Å; L140-F215 HydrophobicContact CD2-CG 4.45Å; L140-F215 HydrophobicContact CD2-CZ 4.3Å; L140-F215 HydrophobicContact CG-CE1 4.48Å; L140-N216 CarbonylContact C-O 3.56Å; L140-N216 PolarHBondContact O-N 2.86Å; L140-L217 HydrophobicContact CD2-CD2 3.73Å; L140-A225 HydrophobicContact CD2-CB 4.42Å |
| 141 | G | 87.4 | Confident | 73.2 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | trans | 68.6 | 28.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T137 H143 S144 N216 | T137-G141 WeakPolarHBondContact O-CA 3.42Å; T137-G141 PolarHBondContact O-N 2.71Å; G141-H143 PolarHBondContact O-N 3.18Å; G141-H143 VanDerWaalsContact O-N 3.11Å; G141-S144 PolarHBondContact O-OG 2.91Å; G141-N216 VanDerWaalsContact CA-O 3.24Å; G141-N216 WeakPolarHBondContact CA-O 3.2Å; G141-N216 PolarHBondContact N-O 2.82Å | ||
| 142 | L | 79.7 | Confident | 72.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -71.1 | -2.4 | -172.6 | -61.6 | -179 | 0 | 0 | 0 | 114.7 | T137 L140 S144 Y145 V151 W195 F215 | T137-L142 HydrophobicContact CG2-CB 4.26Å; T137-L142 PolarHBondContact O-N 3Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 HydrophobicContact CB-CD1 4.24Å; L140-L142 HydrophobicContact CB-CD2 4.22Å; L140-L142 HydrophobicContact CB-CG 3.81Å; L140-L142 HydrophobicContact CD1-CD1 4.26Å; L140-L142 PolarHBondContact O-N 2.87Å; L142-S144 PolarHBondContact O-N 3.39Å; L142-Y145 HydrophobicContact CD2-CE2 4.13Å; L142-V151 HydrophobicContact CB-CG2 4.21Å; L142-V151 HydrophobicContact CD1-CG1 4.46Å; L142-V151 WeakPolarHBondContact O-CG2 3.34Å; L142-W195 HydrophobicContact CD1-CZ3 4.14Å; L142-W195 HydrophobicContact CD2-CH2 3.68Å; L142-W195 HydrophobicContact CD2-CZ3 3.76Å; L142-F215 HydrophobicContact CD2-CD1 3.91Å; L142-F215 HydrophobicContact CD2-CE1 3.94Å |
| 143 | H | 65.1 | Low | 71.3 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 62% | 0.616 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -57.8 | -10.8 | 174.9 | -60.7 | -68.5 | 0 | 0 | 0 | 114.8 | T137 G141 | T137-H143 WeakPolarHBondContact CB-CE1 2.98Å; T137-H143 WeakPolarHBondContact CB-NE2 3.44Å; T137-H143 PolarHBondContact O-CD2 3.43Å; T137-H143 PolarHBondContact OG1-CE1 3.18Å; T137-H143 PolarHBondContact OG1-NE2 3.13Å; G141-H143 PolarHBondContact O-N 3.18Å; G141-H143 VanDerWaalsContact O-N 3.11Å |
| 144 | S | 47.1 | Very low | 70.9 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 59% | 0.594 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -108.1 | 3 | -158.4 | -45.4 | 0 | 0 | 0 | 0 | 114.7 | G141 L142 G146 | G141-S144 PolarHBondContact O-OG 2.91Å; L142-S144 PolarHBondContact O-N 3.39Å; S144-G146 PolarHBondContact O-N 3.3Å |
| 145 | Y | 44 | Very low | 70.8 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -76 | 66.6 | 175.2 | -81.4 | -81.2 | 0 | 0 | 0 | 112 | L142 W195 P213 Q214 | L142-Y145 HydrophobicContact CD2-CE2 4.13Å; Y145-W195 AromaticContact CD2-CH2 3.89Å; Y145-W195 HydrophobicContact CD2-CH2 3.89Å; Y145-W195 AromaticContact CD2-CZ2 3.97Å; Y145-W195 HydrophobicContact CD2-CZ2 3.97Å; Y145-W195 AromaticContact CE2-CH2 3.62Å; Y145-W195 HydrophobicContact CE2-CH2 3.62Å; Y145-W195 HydrophobicContact CE2-CZ2 4.12Å; Y145-W195 HydrophobicContact CG-CZ2 4.4Å; Y145-P213 HydrophobicContact CE2-CB 4.2Å; Y145-P213 WeakPolarHBondContact OH-CA 3.45Å; Y145-P213 WeakPolarHBondContact OH-CB 3.49Å; Y145-Q214 PolarHBondContact OH-N 2.81Å; Y145-Q214 PolarHBondContact OH-O 3.45Å |
| 146 | G | 36.7 | Very low | 70.6 | Confident | 47 Ų | 47 | 67 Ų | 67 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | trans | 74.6 | 129 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S144 E148 K149 | S144-G146 PolarHBondContact O-N 3.3Å; G146-E148 PolarHBondContact O-N 2.84Å; G146-K149 PolarHBondContact O-N 3.14Å; G146-K149 VanDerWaalsContact O-N 3.08Å | ||
| 147 | K | 36.6 | Very low | 70.6 | Confident | 224 Ų | 224 | 68.4 Ų | 68.4 | 97% | 0.974 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 10.2 | -177.8 | -69.7 | -177.6 | 174.4 | -179.4 | 0 | 115.8 | ||
| 148 | E | 44 | Very low | 70.8 | Confident | 194 Ų | 194 | 74.8 Ų | 74.8 | 91% | 0.907 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | -3.5 | -179.3 | -64.9 | -174.5 | 171.9 | 0 | 0 | 113.9 | G146 | G146-E148 PolarHBondContact O-N 2.84Š|
| 149 | K | 51.9 | Low | 71 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | trans | -115.8 | 101.9 | 178.3 | -67.4 | -171.9 | 176.8 | -171.5 | 0 | 110.5 | G146 V151 S198 | G146-K149 PolarHBondContact O-N 3.14Å; G146-K149 VanDerWaalsContact O-N 3.08Å; K149-V151 PolarHBondContact O-N 3.04Å; K149-S198 PolarHBondContact NZ-OG 3.02Å | ||
| 150 | N | 60.5 | Low | 71.1 | Confident | 75 Ų | 75 | 73 Ų | 73 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | trans | -66.6 | 117 | 170.1 | -171.8 | -7.4 | 0 | 0 | 0 | 108.4 | M152 N153 | N150-M152 PolarHBondContact O-N 2.87Å; N150-M152 WeakPolarHBondContact OD1-CB 3.16Å; N150-M152 VanDerWaalsContact OD1-CG 3.24Å; N150-M152 WeakPolarHBondContact OD1-CG 3.41Å; N150-M152 PolarHBondContact OD1-N 3.23Å; N150-M152 VanDerWaalsContact OD1-N 3.16Å; N150-N153 WeakPolarHBondContact O-CB 3.35Å; N150-N153 PolarHBondContact O-N 3.28Å | ||
| 151 | V | 65.1 | Low | 71.4 | Confident | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -51.7 | -30.8 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | L142 K149 N153 E154 C155 | L142-V151 HydrophobicContact CB-CG2 4.21Å; L142-V151 HydrophobicContact CD1-CG1 4.46Å; L142-V151 WeakPolarHBondContact O-CG2 3.34Å; K149-V151 PolarHBondContact O-N 3.04Å; V151-N153 PolarHBondContact O-N 3.37Å; V151-E154 PolarHBondContact O-N 2.66Å; V151-C155 PolarHBondContact O-N 3.11Å; V151-C155 PolarHBondContact O-SG 3.49Å; V151-C155 VanDerWaalsContact O-SG 3.4Å |
| 152 | M | 69 | Low | 71.9 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 41% | 0.414 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -56.4 | -33.1 | 174.5 | -59.9 | 179.9 | -151.1 | 0 | 0 | 113.1 | F133 N150 E154 C155 | F133-M152 HydrophobicContact CB-CG 4.26Å; F133-M152 HydrophobicContact CD1-CG 4.4Å; F133-M152 HydrophobicContact CD2-CG 4.43Å; F133-M152 HydrophobicContact CG-CG 4.14Å; N150-M152 PolarHBondContact O-N 2.87Å; N150-M152 WeakPolarHBondContact OD1-CB 3.16Å; N150-M152 VanDerWaalsContact OD1-CG 3.24Å; N150-M152 WeakPolarHBondContact OD1-CG 3.41Å; N150-M152 PolarHBondContact OD1-N 3.23Å; N150-M152 VanDerWaalsContact OD1-N 3.16Å; M152-E154 VanDerWaalsContact C-N 3.28Å; M152-E154 PolarHBondContact O-N 3.22Å; M152-C155 PolarHBondContact O-N 3.35Å |
| 153 | N | 75.7 | Confident | 72.7 | Confident | 137 Ų | 137 | 72.7 Ų | 72.7 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -75.3 | -19 | 178.9 | -65.5 | -15.1 | 0 | 0 | 0 | 112.8 | N150 V151 | N150-N153 WeakPolarHBondContact O-CB 3.35Å; N150-N153 PolarHBondContact O-N 3.28Å; V151-N153 PolarHBondContact O-N 3.37Å |
| 154 | E | 82.2 | Confident | 74.3 | Confident | 31 Ų | 31 | 66.4 Ų | 66.4 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -95.8 | -8.1 | 176.9 | -62.5 | -164.8 | 157.7 | 0 | 0 | 112.3 | V151 M152 W195 S196 S198 | V151-E154 PolarHBondContact O-N 2.66Å; M152-E154 VanDerWaalsContact C-N 3.28Å; M152-E154 PolarHBondContact O-N 3.22Å; E154-W195 PolarHBondContact OE2-NE1 3.05Å; E154-S196 PolarHBondContact O-N 3.46Å; E154-S198 WeakPolarHBondContact OE1-CB 3.25Å; E154-S198 PolarHBondContact OE1-OG 3.05Å |
| 155 | C | 88.1 | Confident | 76.5 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141 | -176.5 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | F133 V151 M152 V193 N194 | F133-C155 HydrophobicContact CE1-CB 3.68Å; F133-C155 HydrophobicContact CZ-CB 4.27Å; V151-C155 PolarHBondContact O-N 3.11Å; V151-C155 PolarHBondContact O-SG 3.49Å; V151-C155 VanDerWaalsContact O-SG 3.4Å; M152-C155 PolarHBondContact O-N 3.35Å; C155-V193 HydrophobicContact CB-CG1 4.05Å; C155-N194 CarbonylContact C-O 3.56Å; C155-N194 VanDerWaalsContact CA-O 3.28Å; C155-N194 WeakPolarHBondContact CA-O 3.44Å |
| 156 | T | 90.8 | Very high | 78.8 | Confident | 78 Ų | 78 | 60 Ų | 60 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.3 | 163 | 57.6 | 0 | 0 | 0 | 0 | 108.6 | V193 N194 | T156-V193 WeakPolarHBondContact O-CA 3.38Å; T156-N194 PolarHBondContact N-O 2.9Å; T156-N194 PolarHBondContact O-N 2.83Å; T156-N194 WeakPolarHBondContact OG1-CB 3.1Å |
| 157 | I | 92.4 | Very high | 81.3 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.3 | -176.1 | -175 | 162.8 | 0 | 0 | 0 | 110 | Q129 A132 F133 Y191 S192 V193 | Q129-I157 HydrophobicContact CB-CD1 4.44Å; A132-I157 HydrophobicContact CB-CD1 3.79Å; F133-I157 HydrophobicContact CE1-CB 4.39Å; F133-I157 HydrophobicContact CE1-CD1 4.49Å; F133-I157 HydrophobicContact CE2-CB 4.19Å; F133-I157 HydrophobicContact CE2-CD1 4.11Å; F133-I157 HydrophobicContact CE2-CG2 3.7Å; F133-I157 HydrophobicContact CZ-CB 3.65Å; F133-I157 HydrophobicContact CZ-CD1 4.08Å; F133-I157 HydrophobicContact CZ-CG1 4.47Å; F133-I157 HydrophobicContact CZ-CG2 3.56Å; I157-Y191 HydrophobicContact CD1-CD1 3.72Å; I157-Y191 HydrophobicContact CD1-CD2 4.44Å; I157-Y191 HydrophobicContact CD1-CE1 4.36Å; I157-Y191 HydrophobicContact CD1-CG 3.76Å; I157-Y191 HydrophobicContact CG1-CD1 3.48Å; I157-Y191 VanDerWaalsContact CG1-CD1 3.48Å; I157-Y191 HydrophobicContact CG1-CE1 4.31Å; I157-Y191 HydrophobicContact CG1-CG 3.85Å; I157-S192 WeakPolarHBondContact CA-O 3.48Å; I157-V193 HydrophobicContact CB-CG2 4.45Å; I157-V193 HydrophobicContact CD1-CG2 4.03Å; I157-V193 HydrophobicContact CG1-CG2 4.01Å |
| 158 | K | 93.5 | Very high | 83.5 | Confident | 146 Ų | 146 | 49.4 Ų | 49.4 | 64% | 0.635 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.1 | 175.5 | -65.1 | -177.5 | -177.3 | 176.8 | 0 | 110.7 | L160 Y191 S192 | K158-L160 PolarHBondContact O-N 3.31Å; K158-Y191 CarbonylContact O-C 3.55Å; K158-Y191 VanDerWaalsContact O-CA 3.3Å; K158-Y191 WeakPolarHBondContact O-CA 3.24Å; K158-S192 PolarHBondContact N-O 3.11Å; K158-S192 PolarHBondContact O-N 2.71Å |
| 159 | P | 94.7 | Very high | 85.1 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 135.3 | 170.8 | 27.7 | -33.8 | 0 | 0 | 0 | 109.1 | I52 I54 Y191 | I52-P159 HydrophobicContact CD1-CG 4.38Å; I52-P159 HydrophobicContact CG2-CB 4.19Å; I52-P159 HydrophobicContact CG2-CG 3.69Å; I54-P159 HydrophobicContact CD1-CB 4.01Å; P159-Y191 HydrophobicContact CB-CD1 4.32Å; P159-Y191 HydrophobicContact CB-CE1 4.03Å |
| 160 | L | 96.4 | Very high | 85.8 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -60.7 | -175.3 | -178.7 | 63.9 | 0 | 0 | 0 | 111.2 | L90 K158 Y190 A333 H336 W337 L340 | L90-L160 HydrophobicContact CD1-CD2 3.63Å; K158-L160 PolarHBondContact O-N 3.31Å; L160-Y190 WeakPolarHBondContact CB-O 3.26Å; L160-Y190 PolarHBondContact N-O 3.42Å; L160-A333 HydrophobicContact CD2-CB 4.31Å; L160-A333 WeakPolarHBondContact CD2-O 3.44Å; L160-H336 HydrophobicContact CD1-CB 3.86Å; L160-H336 HydrophobicContact CD2-CB 4.33Å; L160-H336 HydrophobicContact CG-CB 3.91Å; L160-W337 HydrophobicContact CD2-CB 3.97Å; L160-L340 HydrophobicContact CD1-CD1 3.31Å; L160-L340 HydrophobicContact CD1-CG 4.23Å |
| 161 | C | 97.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 171.3 | 179.9 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | I54 P55 Y190 Y332 | I54-C161 WeakPolarHBondContact CD1-O 3.46Å; I54-C161 VanDerWaalsContact CG1-CA 3.47Å; P55-C161 HydrophobicContact CB-CB 4.26Å; P55-C161 CarbonylContact O-C 3.59Å; C161-Y190 PolarHBondContact O-N 3.26Å; C161-Y332 HydrophobicContact CB-CD1 4.34Å; C161-Y332 HydrophobicContact CB-CE1 3.65Å |
| 162 | S | 98 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153.1 | 174.6 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | P55 L56 C57 V188 | P55-S162 WeakPolarHBondContact O-CA 3.17Å; P55-S162 PolarHBondContact O-N 3.21Å; P55-S162 PolarHBondContact O-OG 3.43Å; L56-S162 WeakPolarHBondContact CA-O 3.26Å; L56-S162 VanDerWaalsContact CA-OG 3.28Å; L56-S162 WeakPolarHBondContact CA-OG 3.43Å; L56-S162 VanDerWaalsContact CB-OG 3.3Å; L56-S162 WeakPolarHBondContact CB-OG 3.37Å; L56-S162 WeakPolarHBondContact CD1-OG 3.3Å; C57-S162 PolarHBondContact N-O 3.36Å; S162-V188 CarbonylContact C-O 3.6Å; S162-V188 WeakPolarHBondContact CA-O 3.43Å |
| 163 | W | 97.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 36 Ų | 36 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 130.8 | -172.7 | -174 | -101.6 | 0 | 0 | 0 | 111.8 | C57 R58 P59 A165 V188 Y190 W240 L328 G329 Y332 | C57-W163 HydrophobicContact CB-CE3 3.91Å; C57-W163 HydrophobicContact CB-CZ3 3.69Å; C57-W163 WeakPolarHBondContact O-CA 3.32Å; R58-W163 VanDerWaalsContact C-CH2 3.41Å; P59-W163 HydrophobicContact CB-CH2 4.11Å; P59-W163 HydrophobicContact CB-CZ2 3.83Å; P59-W163 HydrophobicContact CG-CH2 4.42Å; P59-W163 HydrophobicContact CG-CZ2 3.76Å; P59-W163 VanDerWaalsContact N-CH2 3.3Å; W163-A165 PolarHBondContact O-N 3.17Å; W163-V188 HydrophobicContact CB-CB 4.46Å; W163-V188 PolarHBondContact N-O 2.78Å; W163-V188 PolarHBondContact O-N 3.09Å; W163-Y190 HydrophobicContact CB-CD2 4.31Å; W163-Y190 HydrophobicContact CB-CE2 3.74Å; W163-Y190 HydrophobicContact CG-CE2 4.44Å; W163-W240 AromaticContact CH2-CH2 3.38Å; W163-W240 HydrophobicContact CH2-CH2 3.38Å; W163-W240 AromaticContact CH2-CZ2 3.75Å; W163-W240 HydrophobicContact CH2-CZ2 3.75Å; W163-W240 HydrophobicContact CH2-CZ3 4.34Å; W163-W240 HydrophobicContact CZ2-CH2 4.18Å; W163-W240 HydrophobicContact CZ3-CH2 4.14Å; W163-W240 HydrophobicContact CZ3-CZ2 4.03Å; W163-L328 HydrophobicContact CZ2-CB 3.8Å; W163-G329 VanDerWaalsContact CD2-CA 3.49Å; W163-G329 VanDerWaalsContact CE2-CA 3.43Å; W163-Y332 HydrophobicContact CD2-CD1 4.45Å; W163-Y332 AromaticContact CE3-CD1 3.45Å; W163-Y332 HydrophobicContact CE3-CD1 3.45Å; W163-Y332 VanDerWaalsContact CE3-CD1 3.45Å; W163-Y332 HydrophobicContact CE3-CD2 4.49Å; W163-Y332 HydrophobicContact CE3-CE1 4.05Å; W163-Y332 AromaticContact CE3-CG 3.69Å; W163-Y332 HydrophobicContact CE3-CG 3.69Å; W163-Y332 AromaticContact CZ3-CD1 3.91Å; W163-Y332 HydrophobicContact CZ3-CD1 3.91Å; W163-Y332 HydrophobicContact CZ3-CD2 4.13Å; W163-Y332 AromaticContact CZ3-CG 3.66Å; W163-Y332 HydrophobicContact CZ3-CG 3.66Å |
| 164 | E | 97.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 99.2 | 168.6 | -175.9 | -178.8 | 159 | 0 | 0 | 109.4 | S18 I19 M20 C57 R58 H185 | S18-E164 WeakPolarHBondContact CA-OE1 3.35Å; S18-E164 VanDerWaalsContact CB-OE1 3.24Å; S18-E164 WeakPolarHBondContact CB-OE1 3.32Å; S18-E164 VanDerWaalsContact OG-CD 3.32Å; S18-E164 PolarHBondContact OG-OE1 3.44Å; S18-E164 PolarHBondContact OG-OE2 3.12Å; I19-E164 HydrophobicContact CB-CG 4.27Å; I19-E164 WeakPolarHBondContact CB-OE2 3.43Å; I19-E164 HydrophobicContact CD1-CB 4.28Å; I19-E164 HydrophobicContact CD1-CG 3.99Å; I19-E164 HydrophobicContact CG1-CG 4.11Å; I19-E164 VanDerWaalsContact N-CD 3.3Å; I19-E164 PolarHBondContact N-OE1 3.19Å; I19-E164 PolarHBondContact N-OE2 2.95Å; I19-E164 VanDerWaalsContact N-OE2 3.14Å; M20-E164 WeakPolarHBondContact CG-OE2 3.31Å; M20-E164 PolarHBondContact N-OE2 3.34Å; C57-E164 PolarHBondContact O-N 3.25Å; R58-E164 HydrophobicContact CB-CB 3.73Å; R58-E164 HydrophobicContact CB-CG 4.41Å; R58-E164 WeakPolarHBondContact CD-OE2 3.36Å; E164-H185 WeakPolarHBondContact CG-NE2 3.22Å; E164-H185 IonicContact OE1-CE1 3.56Å; E164-H185 IonicContact OE1-NE2 3.3Å; E164-H185 PolarHBondContact OE1-NE2 2.64Å |
| 165 | A | 95.1 | Very high | 80.5 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W163 H185 H186 V188 | W163-A165 PolarHBondContact O-N 3.17Å; A165-H185 CarbonylContact O-C 3.6Å; A165-H185 WeakPolarHBondContact O-CA 3.3Å; A165-H185 PolarHBondContact O-CD2 2.86Å; A165-H186 HydrophobicContact CB-CB 4.33Å; A165-H186 PolarHBondContact N-O 3.47Å; A165-H186 PolarHBondContact O-N 2.93Å; A165-V188 HydrophobicContact CB-CG2 3.79Å |
| 166 | S | 91.7 | Very high | 78.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144.8 | 171.5 | 59.5 | 0 | 0 | 0 | 0 | 111 | P63 F64 Y111 P168 S169 S184 | P63-S166 WeakPolarHBondContact CD-OG 3.46Å; F64-S166 VanDerWaalsContact CE2-CB 3.42Å; Y111-S166 PolarHBondContact OH-O 2.89Å; S166-P168 CarbonylContact O-C 3.45Å; S166-S169 WeakPolarHBondContact O-CA 3.28Å; S166-S169 WeakPolarHBondContact O-CB 3.47Å; S166-S169 PolarHBondContact O-N 3.27Å; S166-S184 WeakPolarHBondContact CA-O 3.4Å |
| 167 | Y | 88.5 | Confident | 76.8 | Confident | 31 Ų | 31 | 44 Ų | 44 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.8 | 173.2 | -177.9 | -99.8 | 0 | 0 | 0 | 111.6 | R109 Y111 P112 P182 K183 S184 | R109-Y167 VanDerWaalsContact O-CE1 3.26Å; R109-Y167 WeakPolarHBondContact O-CE1 3.45Å; Y111-Y167 AromaticContact CD1-CD2 3.54Å; Y111-Y167 HydrophobicContact CD1-CD2 3.54Å; Y111-Y167 HydrophobicContact CD1-CE2 4.04Å; Y111-Y167 AromaticContact CD2-CD2 3.92Å; Y111-Y167 HydrophobicContact CD2-CD2 3.92Å; Y111-Y167 HydrophobicContact CD2-CG 4.2Å; Y111-Y167 AromaticContact CE1-CD2 3.71Å; Y111-Y167 HydrophobicContact CE1-CD2 3.71Å; Y111-Y167 HydrophobicContact CE2-CD2 4.09Å; Y111-Y167 HydrophobicContact CE2-CG 4.22Å; Y111-Y167 AromaticContact CG-CD2 3.68Å; Y111-Y167 HydrophobicContact CG-CD2 3.68Å; Y111-Y167 HydrophobicContact CG-CE2 4.18Å; Y111-Y167 HydrophobicContact CG-CG 4.39Å; P112-Y167 VanDerWaalsContact CD-OH 3.24Å; P112-Y167 WeakPolarHBondContact CD-OH 3.49Å; Y167-P182 CarbonylContact O-C 3.49Å; Y167-P182 WeakPolarHBondContact O-CA 3.49Å; Y167-K183 HydrophobicContact CD1-CB 4.25Å; Y167-K183 HydrophobicContact CD1-CD 4.14Å; Y167-K183 HydrophobicContact CE1-CD 4.03Å; Y167-K183 PolarHBondContact O-N 3.44Å; Y167-S184 PolarHBondContact N-O 2.89Å; Y167-S184 VanDerWaalsContact N-O 3.09Å; Y167-S184 PolarHBondContact O-N 3.39Å |
| 168 | P | 83.5 | Confident | 75.3 | Confident | 17 Ų | 17 | 47 Ų | 47 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -59.9 | 146.1 | -9.6 | -18.6 | 31 | 0 | 0 | 0 | 112 | S166 R170 T173 I180 | S166-P168 CarbonylContact O-C 3.45Å; P168-R170 PolarHBondContact O-N 3.4Å; P168-T173 HydrophobicContact CB-CG2 4.07Å; P168-T173 WeakPolarHBondContact CB-OG1 3.33Å; P168-T173 WeakPolarHBondContact CG-OG1 3.34Å; P168-I180 HydrophobicContact CB-CD1 3.96Å; P168-I180 HydrophobicContact CG-CD1 4.2Å |
| 169 | S | 76.7 | Confident | 74.1 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -77.4 | -13.4 | 179.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | S166 | S166-S169 WeakPolarHBondContact O-CA 3.28Å; S166-S169 WeakPolarHBondContact O-CB 3.47Å; S166-S169 PolarHBondContact O-N 3.27Å |
| 170 | R | 67.3 | Low | 73 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -141.9 | 145.4 | -172.7 | -58.3 | 177 | 69.5 | 173.6 | 0.3 | 109.9 | V61 P168 D172 T173 L301 | V61-R170 HydrophobicContact CG2-CG 3.96Å; P168-R170 PolarHBondContact O-N 3.4Å; R170-D172 VanDerWaalsContact C-N 3.31Å; R170-D172 WeakPolarHBondContact CB-OD1 3.13Å; R170-D172 IonicContact CZ-OD2 2.86Å; R170-D172 IonicContact NE-OD1 3.97Å; R170-D172 IonicContact NE-OD2 3.73Å; R170-D172 PolarHBondContact NE-OD2 3.24Å; R170-D172 VanDerWaalsContact NE-OD2 3.1Å; R170-D172 IonicContact NH1-OD2 2.9Å; R170-D172 IonicContact NH2-OD2 3.82Å; R170-D172 PolarHBondContact NH2-OD2 2.99Å; R170-D172 VanDerWaalsContact NH2-OD2 3.13Å; R170-T173 PolarHBondContact O-OG1 2.86Å; R170-L301 PolarHBondContact NH1-O 3.03Å |
| 171 | L | 52 | Low | 72.2 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -71.2 | -22.7 | 177.1 | -83.8 | 146.7 | 0 | 0 | 0 | 113.4 | F71 T173 A174 I180 Y260 | F71-L171 HydrophobicContact CB-CD1 3.57Å; F71-L171 HydrophobicContact CB-CD2 3.65Å; F71-L171 HydrophobicContact CB-CG 4.28Å; F71-L171 HydrophobicContact CD2-CD1 3.61Å; F71-L171 HydrophobicContact CG-CD1 3.64Å; F71-L171 HydrophobicContact CG-CD2 4.26Å; L171-T173 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 2.79Å; L171-I180 HydrophobicContact CD2-CB 3.47Å; L171-I180 VanDerWaalsContact CD2-CB 3.47Å; L171-I180 HydrophobicContact CD2-CG2 3.59Å; L171-I180 HydrophobicContact CG-CB 4.1Å; L171-I180 HydrophobicContact CG-CD1 4.45Å; L171-I180 HydrophobicContact CG-CG2 4.02Å; L171-Y260 HydrophobicContact CB-CD2 3.8Å; L171-Y260 HydrophobicContact CB-CE2 3.36Å; L171-Y260 HydrophobicContact CD1-CD2 4.41Å; L171-Y260 HydrophobicContact CD1-CE2 3.38Å; L171-Y260 HydrophobicContact CG-CE2 3.93Å |
| 172 | D | 48.9 | Very low | 71.5 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -64.8 | -17.8 | -179.2 | 61.4 | 0.7 | 0 | 0 | 0 | 114.5 | R170 A174 | R170-D172 VanDerWaalsContact C-N 3.31Å; R170-D172 WeakPolarHBondContact CB-OD1 3.13Å; R170-D172 IonicContact CZ-OD2 2.86Å; R170-D172 IonicContact NE-OD1 3.97Å; R170-D172 IonicContact NE-OD2 3.73Å; R170-D172 PolarHBondContact NE-OD2 3.24Å; R170-D172 VanDerWaalsContact NE-OD2 3.1Å; R170-D172 IonicContact NH1-OD2 2.9Å; R170-D172 IonicContact NH2-OD2 3.82Å; R170-D172 PolarHBondContact NH2-OD2 2.99Å; R170-D172 VanDerWaalsContact NH2-OD2 3.13Å; D172-A174 PolarHBondContact O-N 3.35Å |
| 173 | T | 50.5 | Low | 70.8 | Confident | 93 Ų | 93 | 50.1 Ų | 50.1 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -62.7 | -5.7 | 168.5 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | P168 R170 L171 | P168-T173 HydrophobicContact CB-CG2 4.07Å; P168-T173 WeakPolarHBondContact CB-OG1 3.33Å; P168-T173 WeakPolarHBondContact CG-OG1 3.34Å; R170-T173 PolarHBondContact O-OG1 2.86Å; L171-T173 PolarHBondContact O-N 2.88Å |
| 174 | A | 43.8 | Very low | 70.4 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -125.7 | 57.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L171 D172 G176 K177 | L171-A174 PolarHBondContact O-N 2.79Å; D172-A174 PolarHBondContact O-N 3.35Å; A174-G176 PolarHBondContact O-N 2.98Å; A174-K177 HydrophobicContact CB-CB 3.85Å; A174-K177 HydrophobicContact CB-CD 4.06Å; A174-K177 HydrophobicContact CB-CG 4.11Å; A174-K177 PolarHBondContact O-N 3.15Å |
| 175 | I | 46.6 | Very low | 70.2 | Confident | 172 Ų | 172 | 50.5 Ų | 50.5 | 88% | 0.882 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | 119.6 | 168.5 | -59.6 | 174.9 | 0 | 0 | 0 | 109 | ||
| 176 | G | 46.3 | Very low | 70.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 88% | 0.876 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 4.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | A174 | A174-G176 PolarHBondContact O-N 2.98Š|
| 177 | K | 55.1 | Low | 70.6 | Confident | 151 Ų | 151 | 50.9 Ų | 50.9 | 66% | 0.657 | 30% | 0.297 | S | S | * | . | trans | -110.3 | 132.5 | 171.3 | -57.8 | -170.8 | -178.8 | 173.2 | 0 | 111 | A174 T179 | A174-K177 HydrophobicContact CB-CB 3.85Å; A174-K177 HydrophobicContact CB-CD 4.06Å; A174-K177 HydrophobicContact CB-CG 4.11Å; A174-K177 PolarHBondContact O-N 3.15Å; K177-T179 PolarHBondContact O-N 3.41Å | ||
| 178 | S | 60.1 | Low | 71 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -75.2 | -13.5 | 173.1 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | F71 | F71-S178 WeakPolarHBondContact CD1-O 3.18Š|
| 179 | T | 67.3 | Low | 71.7 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 28% | 0.282 | 29% | 0.291 | S | S | . | . | trans | -134.3 | 149.7 | -176.2 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | F71 K177 | F71-T179 CarbonylContact O-C 3.59Å; F71-T179 WeakPolarHBondContact O-CA 3.4Å; F71-T179 VanDerWaalsContact O-CB 3.26Å; F71-T179 WeakPolarHBondContact O-CB 3.19Å; K177-T179 PolarHBondContact O-N 3.41Å | ||
| 180 | I | 73.5 | Confident | 72.8 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -106.2 | 141.1 | 171.9 | -171.5 | 168.4 | 0 | 0 | 0 | 109.8 | P63 F71 L72 N73 P168 L171 P182 | P63-I180 HydrophobicContact CB-CD1 4.31Å; P63-I180 HydrophobicContact CB-CG2 3.67Å; P63-I180 HydrophobicContact CG-CD1 4.41Å; F71-I180 PolarHBondContact O-N 2.96Å; L72-I180 HydrophobicContact CD2-CG2 4.02Å; N73-I180 PolarHBondContact N-O 2.89Å; P168-I180 HydrophobicContact CB-CD1 3.96Å; P168-I180 HydrophobicContact CG-CD1 4.2Å; L171-I180 HydrophobicContact CD2-CB 3.47Å; L171-I180 VanDerWaalsContact CD2-CB 3.47Å; L171-I180 HydrophobicContact CD2-CG2 3.59Å; L171-I180 HydrophobicContact CG-CB 4.1Å; L171-I180 HydrophobicContact CG-CD1 4.45Å; L171-I180 HydrophobicContact CG-CG2 4.02Å; I180-P182 HydrophobicContact CG1-CG 4.37Å; I180-P182 HydrophobicContact CG2-CG 4.35Å; I180-P182 WeakPolarHBondContact O-CD 3.48Å |
| 181 | S | 79.3 | Confident | 74.2 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | trans | -112 | 92.1 | 165.8 | -60.5 | 0 | 0 | 0 | 0 | 107.9 | N73 K183 | N73-S181 WeakPolarHBondContact CB-OG 3.34Å; N73-S181 PolarHBondContact ND2-OG 2.78Å; S181-K183 PolarHBondContact O-N 3.14Å | ||
| 182 | P | 83 | Confident | 76.3 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | trans | -56.9 | 125.6 | 177.1 | -24.3 | 34.9 | 0 | 0 | 0 | 110.2 | P63 F64 L72 Y167 I180 S184 | P63-P182 HydrophobicContact CB-CG 4.16Å; P63-P182 HydrophobicContact CG-CG 3.91Å; F64-P182 HydrophobicContact CE1-CB 4.2Å; F64-P182 HydrophobicContact CE1-CG 4.02Å; F64-P182 HydrophobicContact CE2-CB 3.99Å; F64-P182 HydrophobicContact CE2-CG 4.25Å; F64-P182 HydrophobicContact CZ-CB 3.43Å; F64-P182 VanDerWaalsContact CZ-CB 3.43Å; F64-P182 HydrophobicContact CZ-CG 3.68Å; L72-P182 HydrophobicContact CD2-CG 3.58Å; Y167-P182 CarbonylContact O-C 3.49Å; Y167-P182 WeakPolarHBondContact O-CA 3.49Å; I180-P182 HydrophobicContact CG1-CG 4.37Å; I180-P182 HydrophobicContact CG2-CG 4.35Å; I180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-S184 VanDerWaalsContact C-N 3.31Å | ||
| 183 | K | 82.5 | Confident | 78.4 | Confident | 139 Ų | 139 | 45.9 Ų | 45.9 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -80.1 | -17.4 | 174.7 | -59.9 | 177.8 | -179.7 | 175.1 | 0 | 112 | Y167 S181 | Y167-K183 HydrophobicContact CD1-CB 4.25Å; Y167-K183 HydrophobicContact CD1-CD 4.14Å; Y167-K183 HydrophobicContact CE1-CD 4.03Å; Y167-K183 PolarHBondContact O-N 3.44Å; S181-K183 PolarHBondContact O-N 3.14Å |
| 184 | S | 89.6 | Confident | 80.4 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144.1 | -172.9 | -153.1 | 0 | 0 | 0 | 0 | 111.1 | S166 Y167 P182 H186 | S166-S184 WeakPolarHBondContact CA-O 3.4Å; Y167-S184 PolarHBondContact N-O 2.89Å; Y167-S184 VanDerWaalsContact N-O 3.09Å; Y167-S184 PolarHBondContact O-N 3.39Å; P182-S184 VanDerWaalsContact C-N 3.31Å; S184-H186 PolarHBondContact OG-CE1 2.93Å; S184-H186 PolarHBondContact OG-ND1 3.46Å |
| 185 | H | 94 | Very high | 82.7 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 124.5 | 169.8 | -169.2 | 174 | 0 | 0 | 0 | 107.7 | F15 E17 F64 P84 E164 A165 | F15-H185 HydrophobicContact CD2-CB 3.65Å; F15-H185 HydrophobicContact CE1-CB 4.42Å; F15-H185 HydrophobicContact CE2-CB 3.34Å; F15-H185 HydrophobicContact CG-CB 4.32Å; F15-H185 HydrophobicContact CZ-CB 3.78Å; F15-H185 PolarHBondContact O-ND1 3.48Å; E17-H185 PolarHBondContact O-CE1 3.27Å; F64-H185 AromaticContact CD1-ND1 3.81Å; F64-H185 HydrophobicContact CD2-CB 4.32Å; F64-H185 AromaticContact CD2-CD2 3.81Å; F64-H185 AromaticContact CD2-CE1 3.51Å; F64-H185 AromaticContact CD2-CG 3.66Å; F64-H185 AromaticContact CD2-ND1 3.48Å; F64-H185 WeakPolarHBondContact CD2-ND1 3.47Å; F64-H185 AromaticContact CD2-NE2 3.74Å; F64-H185 HydrophobicContact CE1-CB 4.46Å; F64-H185 AromaticContact CE1-ND1 3.79Å; F64-H185 HydrophobicContact CE2-CB 3.48Å; F64-H185 VanDerWaalsContact CE2-CB 3.48Å; F64-H185 AromaticContact CE2-CD2 3.8Å; F64-H185 AromaticContact CE2-CE1 3.97Å; F64-H185 AromaticContact CE2-CG 3.32Å; F64-H185 AromaticContact CE2-ND1 3.46Å; F64-H185 WeakPolarHBondContact CE2-ND1 3.41Å; F64-H185 AromaticContact CG-CE1 3.57Å; F64-H185 AromaticContact CG-ND1 3.65Å; F64-H185 HydrophobicContact CZ-CB 3.56Å; F64-H185 AromaticContact CZ-CG 3.7Å; F64-H185 AromaticContact CZ-ND1 3.62Å; P84-H185 VanDerWaalsContact CD-O 3.24Å; P84-H185 WeakPolarHBondContact CD-O 3.19Å; P84-H185 WeakPolarHBondContact CG-O 3.19Å; E164-H185 WeakPolarHBondContact CG-NE2 3.22Å; E164-H185 IonicContact OE1-CE1 3.56Å; E164-H185 IonicContact OE1-NE2 3.3Å; E164-H185 PolarHBondContact OE1-NE2 2.64Å; A165-H185 CarbonylContact O-C 3.6Å; A165-H185 WeakPolarHBondContact O-CA 3.3Å; A165-H185 PolarHBondContact O-CD2 2.86Å |
| 186 | H | 96.5 | Very high | 84.5 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.2 | -177.5 | -70.9 | 79.2 | 0 | 0 | 0 | 111.5 | P84 H121 A165 S184 V188 | P84-H186 VanDerWaalsContact CG-CD2 3.45Å; P84-H186 WeakPolarHBondContact CG-CD2 3.15Å; P84-H186 WeakPolarHBondContact CG-NE2 3.32Å; P84-H186 WeakPolarHBondContact O-CA 3.32Å; H121-H186 AromaticContact CD2-NE2 3.32Å; H121-H186 PolarHBondContact CD2-NE2 3.36Å; H121-H186 VanDerWaalsContact CD2-NE2 3.32Å; H121-H186 AromaticContact CE1-NE2 3.78Å; H121-H186 AromaticContact NE2-CE1 3.71Å; H121-H186 AromaticContact NE2-NE2 2.93Å; H121-H186 PolarHBondContact NE2-NE2 2.84Å; A165-H186 HydrophobicContact CB-CB 4.33Å; A165-H186 PolarHBondContact N-O 3.47Å; A165-H186 PolarHBondContact O-N 2.93Å; S184-H186 PolarHBondContact OG-CE1 2.93Å; S184-H186 PolarHBondContact OG-ND1 3.46Å; H186-V188 HydrophobicContact CB-CG2 4.21Å |
| 187 | M | 97.6 | Very high | 86 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119.7 | 152.5 | -169.1 | 175.6 | 179.1 | 0 | 0 | 108.3 | V4 I19 I31 I33 L40 V42 L56 P84 V85 A86 I189 | V4-M187 HydrophobicContact CG1-SD 4.43Å; V4-M187 HydrophobicContact CG2-CB 3.56Å; V4-M187 HydrophobicContact CG2-CG 4.45Å; V4-M187 HydrophobicContact CG2-SD 4.08Å; I19-M187 HydrophobicContact CD1-CB 3.62Å; I19-M187 HydrophobicContact CD1-CG 4.05Å; I19-M187 HydrophobicContact CD1-SD 4.46Å; I31-M187 HydrophobicContact CD1-CE 3.45Å; I31-M187 VanDerWaalsContact CD1-CE 3.45Å; I33-M187 HydrophobicContact CG2-CE 4.23Å; L40-M187 HydrophobicContact CD2-CE 4.27Å; L40-M187 HydrophobicContact CD2-SD 3.8Å; V42-M187 HydrophobicContact CG1-CE 3.91Å; V42-M187 HydrophobicContact CG1-SD 3.77Å; L56-M187 HydrophobicContact CD1-CE 4.47Å; P84-M187 PolarHBondContact O-N 2.91Å; P84-M187 VanDerWaalsContact O-N 3.13Å; V85-M187 WeakPolarHBondContact CA-O 3.25Å; A86-M187 PolarHBondContact N-O 2.88Å; M187-I189 HydrophobicContact CE-CD1 3.78Å; M187-I189 HydrophobicContact CG-CD1 4.32Å; M187-I189 HydrophobicContact SD-CD1 4.45Å |
| 188 | V | 98 | Very high | 86.4 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.2 | 177 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | A86 S162 W163 A165 H186 Y190 | A86-V188 HydrophobicContact CB-CG2 4.41Å; A86-V188 CarbonylContact O-C 3.52Å; A86-V188 WeakPolarHBondContact O-CA 3.39Å; S162-V188 CarbonylContact C-O 3.6Å; S162-V188 WeakPolarHBondContact CA-O 3.43Å; W163-V188 HydrophobicContact CB-CB 4.46Å; W163-V188 PolarHBondContact N-O 2.78Å; W163-V188 PolarHBondContact O-N 3.09Å; A165-V188 HydrophobicContact CB-CG2 3.79Å; H186-V188 HydrophobicContact CB-CG2 4.21Å; V188-Y190 HydrophobicContact CB-CE2 4.02Å; V188-Y190 HydrophobicContact CG1-CD2 4.06Å; V188-Y190 HydrophobicContact CG1-CE1 4.37Å; V188-Y190 HydrophobicContact CG1-CE2 3.68Å |
| 189 | I | 97.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.5 | 169.2 | -51.8 | -55.5 | 0 | 0 | 0 | 108.6 | I33 L40 I54 V85 A86 C87 S88 I128 M187 Y191 | I33-I189 HydrophobicContact CD1-CD1 4.14Å; L40-I189 HydrophobicContact CD2-CD1 3.96Å; L40-I189 HydrophobicContact CD2-CG1 4.14Å; I54-I189 HydrophobicContact CD1-CG2 4.01Å; V85-I189 HydrophobicContact CG1-CG1 4.34Å; A86-I189 PolarHBondContact O-N 3.23Å; C87-I189 CarbonylContact C-O 3.45Å; C87-I189 VanDerWaalsContact CA-O 3.24Å; C87-I189 WeakPolarHBondContact CA-O 3.21Å; S88-I189 PolarHBondContact N-O 3.43Å; I128-I189 HydrophobicContact CG2-CB 4.3Å; I128-I189 HydrophobicContact CG2-CG1 4.45Å; M187-I189 HydrophobicContact CE-CD1 3.78Å; M187-I189 HydrophobicContact CG-CD1 4.32Å; M187-I189 HydrophobicContact SD-CD1 4.45Å; I189-Y191 HydrophobicContact CB-CE2 4.05Å; I189-Y191 HydrophobicContact CG2-CD2 4.19Å; I189-Y191 HydrophobicContact CG2-CE2 3.51Å |
| 190 | Y | 98.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 31.6 Ų | 31.6 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.4 | 174.4 | -72.1 | -87.4 | 0 | 0 | 0 | 110.4 | S88 P117 L160 C161 W163 V188 G329 T330 A333 | S88-Y190 CarbonylContact O-C 3.57Å; S88-Y190 VanDerWaalsContact O-CA 3.32Å; S88-Y190 WeakPolarHBondContact O-CA 3.24Å; P117-Y190 HydrophobicContact CG-CE1 4.22Å; L160-Y190 WeakPolarHBondContact CB-O 3.26Å; L160-Y190 PolarHBondContact N-O 3.42Å; C161-Y190 PolarHBondContact O-N 3.26Å; W163-Y190 HydrophobicContact CB-CD2 4.31Å; W163-Y190 HydrophobicContact CB-CE2 3.74Å; W163-Y190 HydrophobicContact CG-CE2 4.44Å; V188-Y190 HydrophobicContact CB-CE2 4.02Å; V188-Y190 HydrophobicContact CG1-CD2 4.06Å; V188-Y190 HydrophobicContact CG1-CE1 4.37Å; V188-Y190 HydrophobicContact CG1-CE2 3.68Å; Y190-G329 VanDerWaalsContact CZ-C 3.5Å; Y190-T330 PolarHBondContact OH-N 2.69Å; Y190-T330 VanDerWaalsContact OH-N 3.16Å; Y190-A333 HydrophobicContact CD1-CB 3.5Å; Y190-A333 HydrophobicContact CD2-CB 3.94Å; Y190-A333 HydrophobicContact CE1-CB 3.96Å; Y190-A333 HydrophobicContact CE2-CB 4.34Å; Y190-A333 HydrophobicContact CG-CB 3.49Å; Y190-A333 VanDerWaalsContact CG-CB 3.49Å |
| 191 | Y | 96.8 | Very high | 85.1 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.2 | 172.8 | -70.2 | -87.7 | 0 | 0 | 0 | 110.6 | C87 S88 L90 I128 Q129 A132 I157 K158 P159 I189 | C87-Y191 HydrophobicContact CB-CD2 4.39Å; C87-Y191 HydrophobicContact CB-CE2 4.22Å; S88-Y191 PolarHBondContact O-N 2.98Å; L90-Y191 PolarHBondContact N-O 3.27Å; I128-Y191 HydrophobicContact CG2-CE2 3.63Å; I128-Y191 VanDerWaalsContact CG2-OH 3.28Å; I128-Y191 WeakPolarHBondContact CG2-OH 3.5Å; Q129-Y191 HydrophobicContact CG-CE1 3.7Å; A132-Y191 HydrophobicContact CB-CD2 4.02Å; A132-Y191 HydrophobicContact CB-CE2 4.39Å; I157-Y191 HydrophobicContact CD1-CD1 3.72Å; I157-Y191 HydrophobicContact CD1-CD2 4.44Å; I157-Y191 HydrophobicContact CD1-CE1 4.36Å; I157-Y191 HydrophobicContact CD1-CG 3.76Å; I157-Y191 HydrophobicContact CG1-CD1 3.48Å; I157-Y191 VanDerWaalsContact CG1-CD1 3.48Å; I157-Y191 HydrophobicContact CG1-CE1 4.31Å; I157-Y191 HydrophobicContact CG1-CG 3.85Å; K158-Y191 CarbonylContact O-C 3.55Å; K158-Y191 VanDerWaalsContact O-CA 3.3Å; K158-Y191 WeakPolarHBondContact O-CA 3.24Å; P159-Y191 HydrophobicContact CB-CD1 4.32Å; P159-Y191 HydrophobicContact CB-CE1 4.03Å; I189-Y191 HydrophobicContact CB-CE2 4.05Å; I189-Y191 HydrophobicContact CG2-CD2 4.19Å; I189-Y191 HydrophobicContact CG2-CE2 3.51Å |
| 192 | S | 95.9 | Very high | 84.3 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.5 | 161 | -166.5 | 0 | 0 | 0 | 0 | 108 | H92 I157 K158 | H92-S192 PolarHBondContact NE2-OG 3.16Å; H92-S192 VanDerWaalsContact NE2-OG 3.12Å; I157-S192 WeakPolarHBondContact CA-O 3.48Å; K158-S192 PolarHBondContact N-O 3.11Å; K158-S192 PolarHBondContact O-N 2.71Å |
| 193 | V | 94.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 108 | 179 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | C89 L90 L91 H92 F133 L136 C155 T156 I157 | C89-V193 HydrophobicContact CB-CG2 4.05Å; L90-V193 PolarHBondContact O-N 3.33Å; L91-V193 WeakPolarHBondContact CA-O 3.24Å; L91-V193 HydrophobicContact CD1-CB 4.21Å; L91-V193 HydrophobicContact CD1-CG1 3.9Å; H92-V193 PolarHBondContact CD2-O 2.82Å; H92-V193 VanDerWaalsContact CD2-O 3.24Å; H92-V193 PolarHBondContact N-O 2.95Å; F133-V193 HydrophobicContact CE1-CG1 4.22Å; L136-V193 HydrophobicContact CD1-CB 4.27Å; L136-V193 HydrophobicContact CD1-CG1 3.95Å; L136-V193 HydrophobicContact CD1-CG2 4.02Å; C155-V193 HydrophobicContact CB-CG1 4.05Å; T156-V193 WeakPolarHBondContact O-CA 3.38Å; I157-V193 HydrophobicContact CB-CG2 4.45Å; I157-V193 HydrophobicContact CD1-CG2 4.03Å; I157-V193 HydrophobicContact CG1-CG2 4.01Å |
| 194 | N | 92.7 | Very high | 83.1 | Confident | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 118.7 | 175.5 | 176.6 | 50.4 | 0 | 0 | 0 | 109.6 | H92 S94 C155 T156 | H92-N194 WeakPolarHBondContact CE1-CB 3.42Å; H92-N194 PolarHBondContact CE1-OD1 3.46Å; H92-N194 PolarHBondContact ND1-OD1 2.77Å; H92-N194 WeakPolarHBondContact O-CA 3.26Å; S94-N194 WeakPolarHBondContact CA-OD1 3.41Å; S94-N194 PolarHBondContact N-OD1 3.46Å; S94-N194 PolarHBondContact OG-ND2 2.78Å; S94-N194 PolarHBondContact OG-OD1 3.29Å; C155-N194 CarbonylContact C-O 3.56Å; C155-N194 VanDerWaalsContact CA-O 3.28Å; C155-N194 WeakPolarHBondContact CA-O 3.44Å; T156-N194 PolarHBondContact N-O 2.9Å; T156-N194 PolarHBondContact O-N 2.83Å; T156-N194 WeakPolarHBondContact OG1-CB 3.1Å |
| 195 | W | 90.4 | Very high | 82 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109.7 | 178.4 | -177.6 | 14.3 | 0 | 0 | 0 | 111.2 | L91 H92 L93 S94 L142 Y145 E154 R197 P213 | L91-W195 HydrophobicContact CD1-CB 4.04Å; L91-W195 HydrophobicContact CD1-CE3 4.41Å; L91-W195 HydrophobicContact CD2-CE3 4.37Å; H92-W195 PolarHBondContact O-N 3.19Å; L93-W195 HydrophobicContact CD2-CB 4.14Å; L93-W195 HydrophobicContact CD2-CD2 4.06Å; L93-W195 HydrophobicContact CD2-CE3 3.7Å; L93-W195 HydrophobicContact CD2-CG 4.28Å; L93-W195 HydrophobicContact CD2-CZ3 4.45Å; S94-W195 PolarHBondContact N-O 3.22Å; L142-W195 HydrophobicContact CD1-CZ3 4.14Å; L142-W195 HydrophobicContact CD2-CH2 3.68Å; L142-W195 HydrophobicContact CD2-CZ3 3.76Å; Y145-W195 AromaticContact CD2-CH2 3.89Å; Y145-W195 HydrophobicContact CD2-CH2 3.89Å; Y145-W195 AromaticContact CD2-CZ2 3.97Å; Y145-W195 HydrophobicContact CD2-CZ2 3.97Å; Y145-W195 AromaticContact CE2-CH2 3.62Å; Y145-W195 HydrophobicContact CE2-CH2 3.62Å; Y145-W195 HydrophobicContact CE2-CZ2 4.12Å; Y145-W195 HydrophobicContact CG-CZ2 4.4Å; E154-W195 PolarHBondContact OE2-NE1 3.05Å; W195-R197 HydrophobicContact CD2-CG 4.04Å; W195-R197 HydrophobicContact CG-CG 4.23Å; W195-R197 HydrophobicContact CZ2-CG 3.99Å; W195-P213 HydrophobicContact CH2-CB 3.71Å; W195-P213 HydrophobicContact CH2-CG 4.3Å; W195-P213 HydrophobicContact CZ3-CB 3.71Å; W195-P213 HydrophobicContact CZ3-CG 3.76Å |
| 196 | S | 85.3 | Confident | 81.1 | Confident | 52 Ų | 52 | 50.7 Ų | 50.7 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | trans | -93 | 87.6 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | S94 E154 S198 | S94-S196 PolarHBondContact OG-OG 2.84Å; E154-S196 PolarHBondContact O-N 3.46Å; S196-S198 PolarHBondContact O-N 3.42Å; S196-S198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | R | 76.9 | Confident | 80.5 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | trans | -68.1 | 113.2 | 178.9 | -67.6 | 179.6 | 69.1 | -165 | 1.8 | 110.5 | W195 S199 T200 Y211 | W195-R197 HydrophobicContact CD2-CG 4.04Å; W195-R197 HydrophobicContact CG-CG 4.23Å; W195-R197 HydrophobicContact CZ2-CG 3.99Å; R197-S199 PolarHBondContact O-N 3Å; R197-T200 HydrophobicContact CB-CG2 4.02Å; R197-T200 PolarHBondContact O-N 2.99Å; R197-T200 PolarHBondContact O-OG1 2.85Å; R197-Y211 PolarHBondContact NH1-O 2.88Å | ||
| 198 | S | 63.9 | Low | 79.9 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -2.9 | -169.4 | 52.4 | 0 | 0 | 0 | 0 | 116.7 | K149 E154 S196 | K149-S198 PolarHBondContact NZ-OG 3.02Å; E154-S198 WeakPolarHBondContact OE1-CB 3.25Å; E154-S198 PolarHBondContact OE1-OG 3.05Å; S196-S198 PolarHBondContact O-N 3.42Å; S196-S198 VanDerWaalsContact O-N 3.15Å |
| 199 | S | 59.5 | Low | 79.3 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.5 | 18 | -172 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | R197 P201 | R197-S199 PolarHBondContact O-N 3Å; S199-P201 WeakPolarHBondContact O-CD 3.41Å |
| 200 | T | 57.9 | Low | 78.7 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | trans | -88.4 | 120.6 | -176.1 | 41.4 | 0 | 0 | 0 | 0 | 111.1 | R197 Y211 | R197-T200 HydrophobicContact CB-CG2 4.02Å; R197-T200 PolarHBondContact O-N 2.99Å; R197-T200 PolarHBondContact O-OG1 2.85Å; T200-Y211 HydrophobicContact CG2-CD1 3.77Å; T200-Y211 HydrophobicContact CG2-CE1 4.23Å | ||
| 201 | P | 57 | Low | 78 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 62% | 0.623 | 35% | 0.352 | S | S | * | . | trans | -64.3 | 164.3 | 172.7 | 26.3 | -31.2 | 0 | 0 | 0 | 110.6 | S199 L203 Y211 | S199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-L203 PolarHBondContact O-N 3.07Å; P201-L203 VanDerWaalsContact O-N 3.1Å; P201-Y211 WeakPolarHBondContact O-CE1 3.38Å; P201-Y211 PolarHBondContact O-OH 3.09Å | ||
| 202 | V | 62.6 | Low | 77.7 | Confident | 142 Ų | 142 | 59.5 Ų | 59.5 | 86% | 0.861 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -35.9 | 118.8 | 177.9 | 178 | 0 | 0 | 0 | 0 | 110.2 | D204 Y211 | V202-D204 PolarHBondContact O-N 3.46Å; V202-Y211 PolarHBondContact O-OH 2.93Å |
| 203 | L | 66.9 | Low | 77.3 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | trans | -56.1 | 119.7 | -178.5 | -76 | 150 | 0 | 0 | 0 | 110.1 | G95 L96 P201 P205 Y211 | G95-L203 VanDerWaalsContact CA-CD1 3.44Å; L96-L203 HydrophobicContact CD2-CD2 3.81Å; L96-L203 HydrophobicContact CG-CD2 4.07Å; P201-L203 PolarHBondContact O-N 3.07Å; P201-L203 VanDerWaalsContact O-N 3.1Å; L203-P205 WeakPolarHBondContact O-CD 2.95Å; L203-Y211 VanDerWaalsContact CA-OH 3.23Å; L203-Y211 WeakPolarHBondContact CA-OH 3.41Å; L203-Y211 HydrophobicContact CD2-CD1 3.4Å; L203-Y211 HydrophobicContact CD2-CD2 3.9Å; L203-Y211 HydrophobicContact CD2-CE1 3.47Å; L203-Y211 VanDerWaalsContact CD2-CE1 3.47Å; L203-Y211 HydrophobicContact CD2-CE2 3.99Å; L203-Y211 HydrophobicContact CD2-CG 3.65Å; L203-Y211 HydrophobicContact CG-CD1 4.32Å; L203-Y211 HydrophobicContact CG-CE1 3.96Å | ||
| 204 | D | 72 | Confident | 77 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | trans | -85.5 | 108.5 | 158.9 | -171.8 | -12.8 | 0 | 0 | 0 | 107.6 | V202 D206 D207 Y211 | V202-D204 PolarHBondContact O-N 3.46Å; D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.12Å; D204-D206 PolarHBondContact OD1-N 3.47Å; D204-D207 HydrophobicContact CB-CB 4.26Å; D204-D207 PolarHBondContact O-N 3.19Å; D204-Y211 PolarHBondContact N-OH 3.34Å | ||
| 205 | P | 67.6 | Low | 76.8 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 66% | 0.656 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.1 | -179.9 | -20.6 | 33.3 | 0 | 0 | 0 | 113.1 | L203 | L203-P205 WeakPolarHBondContact O-CD 2.95Š|
| 206 | D | 74.5 | Confident | 76.7 | Confident | 157 Ų | 157 | 69.9 Ų | 69.9 | 84% | 0.84 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14.9 | -179.5 | -66 | -33.8 | 0 | 0 | 0 | 112.6 | D204 | D204-D206 PolarHBondContact O-N 3.38Å; D204-D206 VanDerWaalsContact O-N 3.12Å; D204-D206 PolarHBondContact OD1-N 3.47Å |
| 207 | D | 84 | Confident | 77 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 35% | 0.353 | 39% | 0.389 | S | S | . | . | trans | -117.3 | 58.6 | 178.9 | -175.2 | 26.5 | 0 | 0 | 0 | 112.5 | D204 H209 S210 Y211 | D204-D207 HydrophobicContact CB-CB 4.26Å; D204-D207 PolarHBondContact O-N 3.19Å; D207-H209 PolarHBondContact O-N 3.17Å; D207-H209 VanDerWaalsContact O-N 3.14Å; D207-S210 VanDerWaalsContact CG-OG 3.28Å; D207-S210 PolarHBondContact O-N 2.72Å; D207-S210 PolarHBondContact O-OG 2.84Å; D207-S210 VanDerWaalsContact O-OG 3.09Å; D207-S210 WeakPolarHBondContact OD2-CB 3.41Å; D207-S210 PolarHBondContact OD2-OG 3.23Å; D207-Y211 WeakPolarHBondContact O-CD2 3.49Å; D207-Y211 WeakPolarHBondContact O-CE2 3.3Å | ||
| 208 | V | 85.7 | Confident | 77.7 | Confident | 20 Ų | 20 | 69.3 Ų | 69.3 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -53.3 | -35.3 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | L96 S210 Y211 L212 W227 | L96-V208 HydrophobicContact CD1-CG1 4.03Å; L96-V208 HydrophobicContact CD2-CG1 4.46Å; L96-V208 HydrophobicContact CD2-CG2 4.25Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 3.05Å; V208-Y211 PolarHBondContact O-N 3.31Å; V208-Y211 VanDerWaalsContact O-N 3.11Å; V208-L212 HydrophobicContact CG1-CD2 4.07Å; V208-L212 HydrophobicContact CG1-CG 4.27Å; V208-L212 PolarHBondContact O-N 3.41Å; V208-W227 HydrophobicContact CB-CH2 4.43Å; V208-W227 HydrophobicContact CB-CZ3 4.46Å; V208-W227 HydrophobicContact CG1-CD2 4.08Å; V208-W227 HydrophobicContact CG1-CE3 3.95Å; V208-W227 HydrophobicContact CG1-CH2 3.73Å; V208-W227 HydrophobicContact CG1-CZ2 3.89Å; V208-W227 HydrophobicContact CG1-CZ3 3.77Å; V208-W227 HydrophobicContact CG2-CH2 3.91Å; V208-W227 HydrophobicContact CG2-CZ3 4.27Å |
| 209 | H | 86 | Confident | 79 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 26% | 0.264 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.7 | -45.3 | -174.8 | -177.9 | -110.8 | 0 | 0 | 0 | 113 | D207 Y211 L212 W280 D288 | D207-H209 PolarHBondContact O-N 3.17Å; D207-H209 VanDerWaalsContact O-N 3.14Å; H209-Y211 PolarHBondContact O-N 2.97Å; H209-L212 PolarHBondContact O-N 3.12Å; H209-L212 VanDerWaalsContact O-N 3.16Å; H209-W280 HydrophobicContact CB-CH2 3.75Å; H209-W280 HydrophobicContact CB-CZ2 3.56Å; H209-W280 HydrophobicContact CB-CZ3 4.33Å; H209-W280 AromaticContact CD2-CE3 3.7Å; H209-W280 AromaticContact CD2-CH2 3.7Å; H209-W280 AromaticContact CD2-CZ3 3.41Å; H209-W280 VanDerWaalsContact CD2-CZ3 3.41Å; H209-W280 WeakPolarHBondContact CD2-CZ3 3.4Å; H209-W280 AromaticContact CG-CH2 3.84Å; H209-D288 IonicContact NE2-OD1 3.84Å |
| 210 | S | 84.4 | Confident | 80.4 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 47% | 0.469 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.8 | -18.3 | -177.2 | 61.8 | 0 | 0 | 0 | 0 | 114 | D207 V208 | D207-S210 VanDerWaalsContact CG-OG 3.28Å; D207-S210 PolarHBondContact O-N 2.72Å; D207-S210 PolarHBondContact O-OG 2.84Å; D207-S210 VanDerWaalsContact O-OG 3.09Å; D207-S210 WeakPolarHBondContact OD2-CB 3.41Å; D207-S210 PolarHBondContact OD2-OG 3.23Å; V208-S210 VanDerWaalsContact C-N 3.34Å; V208-S210 PolarHBondContact O-N 3.05Å |
| 211 | Y | 84 | Confident | 82.1 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 7% | 0.071 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -92.6 | -17.3 | 177.5 | -63.5 | -84.3 | 0 | 0 | 0 | 113.5 | R197 T200 P201 V202 L203 D204 D207 V208 H209 | R197-Y211 PolarHBondContact NH1-O 2.88Å; T200-Y211 HydrophobicContact CG2-CD1 3.77Å; T200-Y211 HydrophobicContact CG2-CE1 4.23Å; P201-Y211 WeakPolarHBondContact O-CE1 3.38Å; P201-Y211 PolarHBondContact O-OH 3.09Å; V202-Y211 PolarHBondContact O-OH 2.93Å; L203-Y211 VanDerWaalsContact CA-OH 3.23Å; L203-Y211 WeakPolarHBondContact CA-OH 3.41Å; L203-Y211 HydrophobicContact CD2-CD1 3.4Å; L203-Y211 HydrophobicContact CD2-CD2 3.9Å; L203-Y211 HydrophobicContact CD2-CE1 3.47Å; L203-Y211 VanDerWaalsContact CD2-CE1 3.47Å; L203-Y211 HydrophobicContact CD2-CE2 3.99Å; L203-Y211 HydrophobicContact CD2-CG 3.65Å; L203-Y211 HydrophobicContact CG-CD1 4.32Å; L203-Y211 HydrophobicContact CG-CE1 3.96Å; D204-Y211 PolarHBondContact N-OH 3.34Å; D207-Y211 WeakPolarHBondContact O-CD2 3.49Å; D207-Y211 WeakPolarHBondContact O-CE2 3.3Å; V208-Y211 PolarHBondContact O-N 3.31Å; V208-Y211 VanDerWaalsContact O-N 3.11Å; H209-Y211 PolarHBondContact O-N 2.97Å |
| 212 | L | 89.2 | Confident | 83.8 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -66.5 | 137.6 | -179.1 | -61.8 | 179.3 | 0 | 0 | 0 | 110.3 | L93 F100 V208 H209 W227 W280 W289 | L93-L212 HydrophobicContact CD1-CD2 4.18Å; F100-L212 HydrophobicContact CE1-CD2 3.98Å; F100-L212 HydrophobicContact CZ-CD2 3.75Å; V208-L212 HydrophobicContact CG1-CD2 4.07Å; V208-L212 HydrophobicContact CG1-CG 4.27Å; V208-L212 PolarHBondContact O-N 3.41Å; H209-L212 PolarHBondContact O-N 3.12Å; H209-L212 VanDerWaalsContact O-N 3.16Å; L212-W227 HydrophobicContact CD2-CB 4.13Å; L212-W227 HydrophobicContact CD2-CD2 4.39Å; L212-W227 HydrophobicContact CD2-CG 3.87Å; L212-W280 HydrophobicContact CD1-CB 3.43Å; L212-W280 VanDerWaalsContact CD1-CB 3.43Å; L212-W280 HydrophobicContact CD1-CD2 4.16Å; L212-W280 HydrophobicContact CD1-CG 3.46Å; L212-W280 VanDerWaalsContact CD1-CG 3.46Å; L212-W289 HydrophobicContact CB-CD2 4.32Å; L212-W289 HydrophobicContact CB-CG 4.33Å; L212-W289 HydrophobicContact CB-CZ2 4.24Å; L212-W289 HydrophobicContact CD1-CB 4.48Å; L212-W289 HydrophobicContact CD1-CD2 3.66Å; L212-W289 HydrophobicContact CD1-CE3 4.09Å; L212-W289 HydrophobicContact CD1-CG 3.84Å; L212-W289 HydrophobicContact CD1-CZ2 4.41Å |
| 213 | P | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 148.4 | 174.4 | 31.5 | -37.5 | 0 | 0 | 0 | 110.2 | F100 Y145 W195 F215 W289 | F100-P213 HydrophobicContact CZ-CG 4.12Å; Y145-P213 HydrophobicContact CE2-CB 4.2Å; Y145-P213 WeakPolarHBondContact OH-CA 3.45Å; Y145-P213 WeakPolarHBondContact OH-CB 3.49Å; W195-P213 HydrophobicContact CH2-CB 3.71Å; W195-P213 HydrophobicContact CH2-CG 4.3Å; W195-P213 HydrophobicContact CZ3-CB 3.71Å; W195-P213 HydrophobicContact CZ3-CG 3.76Å; P213-F215 HydrophobicContact CB-CD1 4.33Å; P213-F215 HydrophobicContact CB-CE1 4.01Å; P213-F215 HydrophobicContact CG-CD1 4Å; P213-F215 HydrophobicContact CG-CE1 3.28Å; P213-F215 HydrophobicContact CG-CZ 3.62Å; P213-W289 PolarHBondContact O-NE1 3.46Å |
| 214 | Q | 88.1 | Confident | 86.6 | Confident | 140 Ų | 140 | 56.7 Ų | 56.7 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 133.9 | 155.7 | -66.4 | -175.3 | -11.3 | 0 | 0 | 109.1 | Y145 W282 | Y145-Q214 PolarHBondContact OH-N 2.81Å; Y145-Q214 PolarHBondContact OH-O 3.45Å; Q214-W282 HydrophobicContact CB-CH2 4.12Å; Q214-W282 HydrophobicContact CG-CH2 4.15Å; Q214-W282 HydrophobicContact CG-CZ3 4.47Å |
| 215 | F | 88.2 | Confident | 87.7 | Confident | 13 Ų | 13 | 53 Ų | 53 | 6% | 0.057 | 28% | 0.284 | C | S | . | . | trans | -105.6 | 150.6 | 175.4 | -67.1 | -36.7 | 0 | 0 | 0 | 111.2 | F100 L140 L142 P213 L217 A225 W282 W289 | F100-F215 HydrophobicContact CD1-CE2 4.01Å; F100-F215 AromaticContact CD1-CZ 3.91Å; F100-F215 HydrophobicContact CD1-CZ 3.91Å; F100-F215 HydrophobicContact CE1-CE2 4.06Å; F100-F215 AromaticContact CE1-CZ 3.85Å; F100-F215 HydrophobicContact CE1-CZ 3.85Å; F100-F215 HydrophobicContact CG-CZ 4.3Å; F100-F215 HydrophobicContact CZ-CZ 4.19Å; L140-F215 HydrophobicContact CB-CD1 4.04Å; L140-F215 HydrophobicContact CB-CE1 4.2Å; L140-F215 HydrophobicContact CD1-CE1 4.03Å; L140-F215 HydrophobicContact CD1-CZ 4.11Å; L140-F215 HydrophobicContact CD2-CD2 4.3Å; L140-F215 HydrophobicContact CD2-CE1 4.45Å; L140-F215 HydrophobicContact CD2-CE2 4.2Å; L140-F215 HydrophobicContact CD2-CG 4.45Å; L140-F215 HydrophobicContact CD2-CZ 4.3Å; L140-F215 HydrophobicContact CG-CE1 4.48Å; L142-F215 HydrophobicContact CD2-CD1 3.91Å; L142-F215 HydrophobicContact CD2-CE1 3.94Å; P213-F215 HydrophobicContact CB-CD1 4.33Å; P213-F215 HydrophobicContact CB-CE1 4.01Å; P213-F215 HydrophobicContact CG-CD1 4Å; P213-F215 HydrophobicContact CG-CE1 3.28Å; P213-F215 HydrophobicContact CG-CZ 3.62Å; F215-L217 HydrophobicContact CB-CD2 3.77Å; F215-L217 HydrophobicContact CB-CG 4.15Å; F215-L217 HydrophobicContact CD2-CD2 4.13Å; F215-L217 HydrophobicContact CG-CD2 4.2Å; F215-A225 HydrophobicContact CD2-CB 3.83Å; F215-A225 HydrophobicContact CE2-CB 3.74Å; F215-W282 WeakPolarHBondContact O-CZ2 3.2Å; F215-W289 AromaticContact CD2-CH2 3.92Å; F215-W289 HydrophobicContact CD2-CH2 3.92Å; F215-W289 AromaticContact CD2-CZ2 3.65Å; F215-W289 HydrophobicContact CD2-CZ2 3.65Å; F215-W289 AromaticContact CE2-CH2 3.45Å; F215-W289 HydrophobicContact CE2-CH2 3.45Å; F215-W289 VanDerWaalsContact CE2-CH2 3.45Å; F215-W289 AromaticContact CE2-CZ2 3.37Å; F215-W289 HydrophobicContact CE2-CZ2 3.37Å; F215-W289 HydrophobicContact CZ-CH2 4.37Å; F215-W289 HydrophobicContact CZ-CZ2 4.08Å | ||
| 216 | N | 88.9 | Confident | 89.1 | Confident | 115 Ų | 115 | 48.1 Ų | 48.1 | 62% | 0.615 | 25% | 0.253 | S | S | * | . | trans | -119.1 | 74.7 | 166.6 | -179.1 | 48.5 | 0 | 0 | 0 | 107.4 | L140 G141 E218 | L140-N216 CarbonylContact C-O 3.56Å; L140-N216 PolarHBondContact O-N 2.86Å; G141-N216 VanDerWaalsContact CA-O 3.24Å; G141-N216 WeakPolarHBondContact CA-O 3.2Å; G141-N216 PolarHBondContact N-O 2.82Å; N216-E218 PolarHBondContact O-N 2.93Å | ||
| 217 | L | 91.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | trans | -57.9 | 132 | -173.4 | -62.9 | -174 | 0 | 0 | 0 | 111.1 | E139 L140 F215 V219 V222 A225 V284 | E139-L217 WeakPolarHBondContact O-CA 3.11Å; L140-L217 HydrophobicContact CD2-CD2 3.73Å; F215-L217 HydrophobicContact CB-CD2 3.77Å; F215-L217 HydrophobicContact CB-CG 4.15Å; F215-L217 HydrophobicContact CD2-CD2 4.13Å; F215-L217 HydrophobicContact CG-CD2 4.2Å; L217-V219 PolarHBondContact O-N 2.86Å; L217-V222 HydrophobicContact CB-CG2 3.9Å; L217-V222 HydrophobicContact CD2-CG2 4.09Å; L217-V222 HydrophobicContact CG-CG2 4.43Å; L217-A225 HydrophobicContact CD2-CB 4.17Å; L217-V284 HydrophobicContact CB-CG1 4.11Å; L217-V284 HydrophobicContact CD1-CG1 4.17Å | ||
| 218 | E | 91.6 | Very high | 90.8 | Very high | 75 Ų | 75 | 38.2 Ų | 38.2 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | trans | -81.5 | 109.4 | 170.2 | 173.7 | 43.8 | 167.6 | 0 | 0 | 110.6 | E138 E139 N216 N220 E221 V222 | E138-E218 WeakPolarHBondContact O-CB 3.4Å; E139-E218 PolarHBondContact O-N 3.28Å; N216-E218 PolarHBondContact O-N 2.93Å; E218-N220 PolarHBondContact O-N 2.82Å; E218-N220 VanDerWaalsContact O-N 3.09Å; E218-N220 PolarHBondContact OE1-ND2 2.96Å; E218-E221 HydrophobicContact CG-CB 4.42Å; E218-E221 HydrophobicContact CG-CG 4.15Å; E218-E221 PolarHBondContact O-N 3.4Å; E218-V222 WeakPolarHBondContact O-CG2 3.39Å; E218-V222 PolarHBondContact O-N 2.61Å | ||
| 219 | V | 90.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.6 | -169.9 | -55.7 | 0 | 0 | 0 | 0 | 114.2 | L217 V222 V284 | L217-V219 PolarHBondContact O-N 2.86Å; V219-V222 WeakPolarHBondContact CA-O 3.28Å; V219-V284 HydrophobicContact CB-CG1 4.28Å; V219-V284 HydrophobicContact CG1-CB 3.88Å; V219-V284 HydrophobicContact CG1-CG1 3.78Å |
| 220 | N | 90.5 | Very high | 91.8 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 48% | 0.476 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.4 | 176.8 | -64.1 | -55.1 | 0 | 0 | 0 | 112.7 | M108 E218 | M108-N220 WeakPolarHBondContact CE-O 3.48Å; E218-N220 PolarHBondContact O-N 2.82Å; E218-N220 VanDerWaalsContact O-N 3.09Å; E218-N220 PolarHBondContact OE1-ND2 2.96Å |
| 221 | E | 92 | Very high | 92.3 | Very high | 86 Ų | 86 | 37.5 Ų | 37.5 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -34.8 | -177.5 | -63.1 | -60.6 | 162.3 | 0 | 0 | 112.3 | P105 M108 E139 E218 | P105-E221 VanDerWaalsContact CD-C 3.44Å; P105-E221 WeakPolarHBondContact CD-O 3.35Å; M108-E221 WeakPolarHBondContact CE-O 3.38Å; M108-E221 VanDerWaalsContact CE-OE2 3.25Å; M108-E221 WeakPolarHBondContact CE-OE2 3.3Å; E139-E221 HydrophobicContact CG-CB 4.07Å; E218-E221 HydrophobicContact CG-CB 4.42Å; E218-E221 HydrophobicContact CG-CG 4.15Å; E218-E221 PolarHBondContact O-N 3.4Å |
| 222 | V | 93.2 | Very high | 93 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -139 | 138.5 | -177.5 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | T102 R103 E139 L217 E218 V219 V284 | T102-V222 HydrophobicContact CG2-CB 4.49Å; T102-V222 HydrophobicContact CG2-CG1 3.88Å; R103-V222 WeakPolarHBondContact O-CA 3.31Å; E139-V222 HydrophobicContact CB-CG1 3.89Å; E139-V222 HydrophobicContact CB-CG2 4.38Å; E139-V222 HydrophobicContact CG-CG1 3.93Å; E139-V222 WeakPolarHBondContact O-CG2 3.2Å; E139-V222 WeakPolarHBondContact OE2-CG1 3.12Å; L217-V222 HydrophobicContact CB-CG2 3.9Å; L217-V222 HydrophobicContact CD2-CG2 4.09Å; L217-V222 HydrophobicContact CG-CG2 4.43Å; E218-V222 WeakPolarHBondContact O-CG2 3.39Å; E218-V222 PolarHBondContact O-N 2.61Å; V219-V222 WeakPolarHBondContact CA-O 3.28Å; V222-V284 WeakPolarHBondContact O-CG1 3.45Å | ||
| 223 | C | 92.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -103.6 | -19.2 | 175.6 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | R103 P105 V284 E318 | R103-C223 PolarHBondContact O-N 2.9Å; R103-C223 PolarHBondContact O-SG 2.99Å; P105-C223 HydrophobicContact CG-CB 4.32Å; C223-V284 WeakPolarHBondContact O-CG1 3.32Å; C223-V284 PolarHBondContact O-N 2.89Å; C223-V284 VanDerWaalsContact O-N 3.14Å; C223-E318 HydrophobicContact CB-CG 4.41Å; C223-E318 VanDerWaalsContact CB-OE1 3.3Å; C223-E318 WeakPolarHBondContact CB-OE1 3.49Å; C223-E318 VanDerWaalsContact O-OE1 3.06Å |
| 224 | A | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 165.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T102 R103 W115 Y281 W282 | T102-A224 CarbonylContact C-O 3.6Å; T102-A224 WeakPolarHBondContact CA-O 3.37Å; R103-A224 HydrophobicContact CB-CB 4.07Å; R103-A224 PolarHBondContact N-O 2.81Å; W115-A224 HydrophobicContact CH2-CB 3.86Å; W115-A224 HydrophobicContact CZ3-CB 4.27Å; A224-Y281 HydrophobicContact CB-CD2 4.37Å; A224-Y281 HydrophobicContact CB-CE2 3.46Å; A224-Y281 VanDerWaalsContact CB-CE2 3.46Å; A224-W282 CarbonylContact C-O 3.55Å; A224-W282 VanDerWaalsContact CA-O 3.25Å; A224-W282 WeakPolarHBondContact CA-O 3.28Å |
| 225 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L101 T102 L140 F215 L217 W282 W289 | L101-A225 CarbonylContact O-C 3.6Å; L101-A225 VanDerWaalsContact O-CA 3.28Å; L101-A225 WeakPolarHBondContact O-CA 3.41Å; T102-A225 HydrophobicContact CG2-CB 4.42Å; L140-A225 HydrophobicContact CD2-CB 4.42Å; F215-A225 HydrophobicContact CD2-CB 3.83Å; F215-A225 HydrophobicContact CE2-CB 3.74Å; L217-A225 HydrophobicContact CD2-CB 4.17Å; A225-W282 PolarHBondContact N-O 2.93Å; A225-W282 PolarHBondContact O-N 3.41Å; A225-W289 HydrophobicContact CB-CH2 4.46Å |
| 226 | V | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.5 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | F100 L101 W115 L228 V279 W280 L297 | F100-V226 CarbonylContact C-O 3.51Å; F100-V226 VanDerWaalsContact CA-O 3.3Å; F100-V226 WeakPolarHBondContact CA-O 3.25Å; L101-V226 HydrophobicContact CB-CG1 4.02Å; L101-V226 PolarHBondContact N-O 3.42Å; L101-V226 PolarHBondContact O-N 3.47Å; W115-V226 HydrophobicContact CD2-CG1 4.36Å; W115-V226 HydrophobicContact CE3-CG1 3.65Å; W115-V226 HydrophobicContact CH2-CB 4.02Å; W115-V226 HydrophobicContact CH2-CG1 4Å; W115-V226 HydrophobicContact CZ3-CB 3.82Å; W115-V226 HydrophobicContact CZ3-CG1 3.45Å; W115-V226 VanDerWaalsContact CZ3-CG1 3.45Å; V226-L228 HydrophobicContact CG1-CD1 4.43Å; V226-L228 HydrophobicContact CG1-CD2 4.08Å; V226-L228 HydrophobicContact CG1-CG 4.07Å; V226-L228 HydrophobicContact CG2-CD2 3.67Å; V226-L228 HydrophobicContact CG2-CG 4.36Å; V226-V279 HydrophobicContact CG2-CB 4.3Å; V226-V279 HydrophobicContact CG2-CG2 3.86Å; V226-W280 CarbonylContact C-O 3.56Å; V226-W280 VanDerWaalsContact CA-O 3.3Å; V226-W280 WeakPolarHBondContact CA-O 3.37Å; V226-W280 WeakPolarHBondContact CG2-O 3.41Å; V226-L297 HydrophobicContact CG2-CD1 3.97Å |
| 227 | W | 97.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 168.6 | -178.7 | 84.3 | 0 | 0 | 0 | 109.8 | L96 F100 V208 L212 P229 W280 | L96-W227 HydrophobicContact CB-CZ2 4.25Å; F100-W227 HydrophobicContact CD1-CB 3.91Å; F100-W227 HydrophobicContact CD1-CG 4.46Å; F100-W227 HydrophobicContact CE1-CB 3.71Å; F100-W227 AromaticContact CE1-CD1 3.76Å; F100-W227 HydrophobicContact CE1-CG 4.11Å; F100-W227 HydrophobicContact CZ-CB 4.5Å; F100-W227 AromaticContact CZ-CD1 3.74Å; F100-W227 HydrophobicContact CZ-CG 4.46Å; V208-W227 HydrophobicContact CB-CH2 4.43Å; V208-W227 HydrophobicContact CB-CZ3 4.46Å; V208-W227 HydrophobicContact CG1-CD2 4.08Å; V208-W227 HydrophobicContact CG1-CE3 3.95Å; V208-W227 HydrophobicContact CG1-CH2 3.73Å; V208-W227 HydrophobicContact CG1-CZ2 3.89Å; V208-W227 HydrophobicContact CG1-CZ3 3.77Å; V208-W227 HydrophobicContact CG2-CH2 3.91Å; V208-W227 HydrophobicContact CG2-CZ3 4.27Å; L212-W227 HydrophobicContact CD2-CB 4.13Å; L212-W227 HydrophobicContact CD2-CD2 4.39Å; L212-W227 HydrophobicContact CD2-CG 3.87Å; W227-P229 HydrophobicContact CH2-CB 3.67Å; W227-P229 HydrophobicContact CZ3-CB 3.67Å; W227-P229 HydrophobicContact CZ3-CG 4.08Å; W227-W280 HydrophobicContact CB-CB 4.3Å; W227-W280 AromaticContact CE3-CD1 3.93Å; W227-W280 PolarHBondContact N-O 3.2Å |
| 228 | L | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.5 | -176 | -60.6 | 180 | 0 | 0 | 0 | 110.7 | G98 V99 L101 V226 V232 L233 L236 V279 V294 I298 | G98-L228 CarbonylContact C-O 3.47Å; G98-L228 WeakPolarHBondContact CA-O 3.16Å; V99-L228 PolarHBondContact N-O 3.17Å; V99-L228 PolarHBondContact O-N 2.87Å; L101-L228 HydrophobicContact CD1-CD1 3.6Å; L101-L228 HydrophobicContact CG-CD1 4.12Å; V226-L228 HydrophobicContact CG1-CD1 4.43Å; V226-L228 HydrophobicContact CG1-CD2 4.08Å; V226-L228 HydrophobicContact CG1-CG 4.07Å; V226-L228 HydrophobicContact CG2-CD2 3.67Å; V226-L228 HydrophobicContact CG2-CG 4.36Å; L228-V232 HydrophobicContact CD2-CG1 4.23Å; L228-L233 HydrophobicContact CB-CD2 3.82Å; L228-L233 HydrophobicContact CB-CG 4.18Å; L228-L233 HydrophobicContact CD1-CD2 4.08Å; L228-L236 HydrophobicContact CD1-CD1 4Å; L228-V279 HydrophobicContact CD2-CB 4.36Å; L228-V279 HydrophobicContact CD2-CG1 4.07Å; L228-V279 HydrophobicContact CD2-CG2 4.45Å; L228-V294 HydrophobicContact CD2-CG2 4.25Å; L228-I298 HydrophobicContact CD1-CD1 3.69Å; L228-I298 HydrophobicContact CD2-CD1 3.9Å; L228-I298 HydrophobicContact CG-CD1 4.43Å |
| 229 | P | 95.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 156 | 176.6 | 31.8 | -35.4 | 0 | 0 | 0 | 111.4 | D97 W227 P231 V232 L233 T277 V279 | D97-P229 WeakPolarHBondContact O-CA 3.25Å; W227-P229 HydrophobicContact CH2-CB 3.67Å; W227-P229 HydrophobicContact CZ3-CB 3.67Å; W227-P229 HydrophobicContact CZ3-CG 4.08Å; P229-P231 VanDerWaalsContact C-CD 3.41Å; P229-P231 VanDerWaalsContact C-N 3.34Å; P229-P231 VanDerWaalsContact O-N 3.14Å; P229-V232 HydrophobicContact CG-CB 4.47Å; P229-V232 HydrophobicContact CG-CG2 3.99Å; P229-V232 WeakPolarHBondContact O-CB 3.38Å; P229-V232 PolarHBondContact O-N 3.28Å; P229-L233 PolarHBondContact O-N 3.46Å; P229-T277 HydrophobicContact CG-CG2 4.48Å; P229-V279 HydrophobicContact CG-CG1 4.41Å |
| 230 | R | 95.7 | Very high | 95.3 | Very high | 35 Ų | 35 | 26.2 Ų | 26.2 | 13% | 0.132 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -46 | -43.2 | -179.9 | 178.1 | 177.3 | -59 | -88.8 | -12.9 | 115.3 | D97 V232 L233 N234 L338 T341 | D97-R230 PolarHBondContact O-N 2.8Å; D97-R230 IonicContact OD1-CZ 3.34Å; D97-R230 IonicContact OD1-NE 3.19Å; D97-R230 PolarHBondContact OD1-NE 3.08Å; D97-R230 IonicContact OD1-NH2 3.52Å; D97-R230 PolarHBondContact OD1-NH2 3.03Å; D97-R230 WeakPolarHBondContact OD2-CB 3.03Å; D97-R230 WeakPolarHBondContact OD2-CD 3.24Å; D97-R230 IonicContact OD2-CZ 2.76Å; D97-R230 IonicContact OD2-NE 3.81Å; D97-R230 PolarHBondContact OD2-NE 2.72Å; D97-R230 IonicContact OD2-NH2 3.7Å; R230-V232 PolarHBondContact O-N 2.8Å; R230-L233 PolarHBondContact O-N 3.19Å; R230-L233 VanDerWaalsContact O-N 3.1Å; R230-N234 PolarHBondContact O-N 2.72Å; R230-N234 PolarHBondContact O-ND2 3Å; R230-L338 HydrophobicContact CG-CD2 3.86Å; R230-L338 PolarHBondContact NH1-O 2.81Å; R230-T341 PolarHBondContact NH1-OG1 3.2Å; R230-T341 PolarHBondContact NH2-O 2.99Å; R230-T341 PolarHBondContact NH2-OG1 2.93Å |
| 231 | P | 95.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 27.3 Ų | 27.3 | 49% | 0.487 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.3 | -33.4 | 179.1 | -26.8 | 36.9 | 0 | 0 | 0 | 114 | P229 K235 | P229-P231 VanDerWaalsContact C-CD 3.41Å; P229-P231 VanDerWaalsContact C-N 3.34Å; P229-P231 VanDerWaalsContact O-N 3.14Å; P231-K235 WeakPolarHBondContact O-CE 3.41Å; P231-K235 WeakPolarHBondContact O-CG 3.5Å |
| 232 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.2 | -43.6 | 174.4 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | L228 P229 R230 N234 K235 L236 I272 T277 V279 V294 | L228-V232 HydrophobicContact CD2-CG1 4.23Å; P229-V232 HydrophobicContact CG-CB 4.47Å; P229-V232 HydrophobicContact CG-CG2 3.99Å; P229-V232 WeakPolarHBondContact O-CB 3.38Å; P229-V232 PolarHBondContact O-N 3.28Å; R230-V232 PolarHBondContact O-N 2.8Å; V232-N234 VanDerWaalsContact C-N 3.29Å; V232-N234 PolarHBondContact O-N 3.18Å; V232-K235 PolarHBondContact O-N 3Å; V232-K235 VanDerWaalsContact O-N 3.14Å; V232-L236 HydrophobicContact CG1-CD1 4.21Å; V232-L236 PolarHBondContact O-N 3.43Å; V232-I272 HydrophobicContact CG1-CD1 4.48Å; V232-T277 HydrophobicContact CG2-CG2 3.78Å; V232-V279 HydrophobicContact CG2-CG1 4.23Å; V232-V294 HydrophobicContact CG1-CG1 4.43Å; V232-V294 HydrophobicContact CG1-CG2 3.84Å; V232-V294 HydrophobicContact CG2-CG1 4.31Å |
| 233 | L | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.4 | -37.4 | 177.9 | -63 | 173.9 | 0 | 0 | 0 | 112.6 | V99 L228 P229 R230 L236 S237 I334 W337 L338 | V99-L233 HydrophobicContact CB-CD1 4.43Å; V99-L233 HydrophobicContact CG1-CD1 4.07Å; V99-L233 HydrophobicContact CG2-CD1 3.81Å; V99-L233 HydrophobicContact CG2-CD2 3.68Å; V99-L233 HydrophobicContact CG2-CG 4.38Å; L228-L233 HydrophobicContact CB-CD2 3.82Å; L228-L233 HydrophobicContact CB-CG 4.18Å; L228-L233 HydrophobicContact CD1-CD2 4.08Å; P229-L233 PolarHBondContact O-N 3.46Å; R230-L233 PolarHBondContact O-N 3.19Å; R230-L233 VanDerWaalsContact O-N 3.1Å; L233-L236 HydrophobicContact CD2-CD1 4.45Å; L233-L236 PolarHBondContact O-N 3.26Å; L233-S237 WeakPolarHBondContact O-CB 3.39Å; L233-S237 PolarHBondContact O-N 3.3Å; L233-I334 HydrophobicContact CB-CG2 3.98Å; L233-I334 HydrophobicContact CD2-CD1 4Å; L233-I334 HydrophobicContact CD2-CG1 4.37Å; L233-I334 HydrophobicContact CD2-CG2 4.03Å; L233-W337 HydrophobicContact CD1-CE3 4.22Å; L233-W337 HydrophobicContact CD1-CH2 4.34Å; L233-W337 HydrophobicContact CD1-CZ3 3.68Å; L233-L338 HydrophobicContact CB-CD1 4.29Å; L233-L338 HydrophobicContact CB-CD2 4.05Å; L233-L338 HydrophobicContact CB-CG 4.5Å |
| 234 | N | 96.9 | Very high | 95 | Very high | 69 Ų | 69 | 26.1 Ų | 26.1 | 37% | 0.369 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 173.9 | -78.1 | -33.1 | 0 | 0 | 0 | 111.6 | R230 V232 L236 S237 D238 | R230-N234 PolarHBondContact O-N 2.72Å; R230-N234 PolarHBondContact O-ND2 3Å; V232-N234 VanDerWaalsContact C-N 3.29Å; V232-N234 PolarHBondContact O-N 3.18Å; N234-L236 VanDerWaalsContact C-N 3.32Å; N234-L236 PolarHBondContact O-N 2.89Å; N234-S237 WeakPolarHBondContact O-CB 3.41Å; N234-S237 PolarHBondContact O-N 3.37Å; N234-D238 WeakPolarHBondContact O-CB 3.34Å; N234-D238 VanDerWaalsContact O-CG 3.25Å; N234-D238 PolarHBondContact O-N 3.37Å |
| 235 | K | 96.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 177.5 | -63 | 166 | -161.8 | 164.4 | 0 | 111.7 | P231 V232 D238 D239 D275 T277 | P231-K235 WeakPolarHBondContact O-CE 3.41Å; P231-K235 WeakPolarHBondContact O-CG 3.5Å; V232-K235 PolarHBondContact O-N 3Å; V232-K235 VanDerWaalsContact O-N 3.14Å; K235-D238 PolarHBondContact O-N 2.84Å; K235-D239 PolarHBondContact O-N 2.95Å; K235-D275 WeakPolarHBondContact CD-OD2 3.12Å; K235-D275 WeakPolarHBondContact CE-OD2 3.33Å; K235-D275 IonicContact NZ-OD1 3.02Å; K235-D275 PolarHBondContact NZ-OD1 3.39Å; K235-D275 IonicContact NZ-OD2 2.66Å; K235-D275 PolarHBondContact NZ-OD2 3.36Å; K235-T277 PolarHBondContact NZ-OG1 2.95Å |
| 236 | L | 97 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.6 | -72.6 | 173 | 0 | 0 | 0 | 112.1 | L228 V232 L233 N234 D238 D239 W240 I272 I298 V326 L331 | L228-L236 HydrophobicContact CD1-CD1 4Å; V232-L236 HydrophobicContact CG1-CD1 4.21Å; V232-L236 PolarHBondContact O-N 3.43Å; L233-L236 HydrophobicContact CD2-CD1 4.45Å; L233-L236 PolarHBondContact O-N 3.26Å; N234-L236 VanDerWaalsContact C-N 3.32Å; N234-L236 PolarHBondContact O-N 2.89Å; L236-D238 VanDerWaalsContact C-N 3.32Å; L236-D238 PolarHBondContact O-N 3.45Å; L236-D239 PolarHBondContact O-N 3.11Å; L236-W240 PolarHBondContact O-N 3.32Å; L236-W240 VanDerWaalsContact O-N 3.09Å; L236-I272 HydrophobicContact CD2-CD1 3.65Å; L236-I272 HydrophobicContact CD2-CG1 3.76Å; L236-I272 HydrophobicContact CG-CD1 3.94Å; L236-I298 HydrophobicContact CD2-CG2 3.87Å; L236-V326 HydrophobicContact CD1-CG2 4.35Å; L236-V326 HydrophobicContact CD2-CG2 4.37Å; L236-L331 HydrophobicContact CB-CD2 3.71Å; L236-L331 HydrophobicContact CD2-CD2 4.3Å; L236-L331 HydrophobicContact CG-CD2 4.47Å |
| 237 | S | 95.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | L233 N234 W240 K241 S335 | L233-S237 WeakPolarHBondContact O-CB 3.39Å; L233-S237 PolarHBondContact O-N 3.3Å; N234-S237 WeakPolarHBondContact O-CB 3.41Å; N234-S237 PolarHBondContact O-N 3.37Å; S237-W240 WeakPolarHBondContact O-CB 3.24Å; S237-W240 PolarHBondContact O-N 3.34Å; S237-K241 VanDerWaalsContact O-CG 3.28Å; S237-K241 WeakPolarHBondContact O-CG 3.24Å; S237-K241 PolarHBondContact O-N 2.98Å; S237-K241 WeakPolarHBondContact OG-CE 3.37Å; S237-K241 PolarHBondContact OG-NZ 3.31Å; S237-S335 WeakPolarHBondContact OG-CB 3.37Å |
| 238 | D | 94.9 | Very high | 92.9 | Very high | 73 Ų | 73 | 38.5 Ų | 38.5 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.7 | -38.4 | 177.3 | -67.9 | -19.4 | 0 | 0 | 0 | 112.3 | N234 K235 L236 W240 K241 A242 | N234-D238 WeakPolarHBondContact O-CB 3.34Å; N234-D238 VanDerWaalsContact O-CG 3.25Å; N234-D238 PolarHBondContact O-N 3.37Å; K235-D238 PolarHBondContact O-N 2.84Å; L236-D238 VanDerWaalsContact C-N 3.32Å; L236-D238 PolarHBondContact O-N 3.45Å; D238-W240 VanDerWaalsContact C-N 3.32Å; D238-W240 PolarHBondContact O-N 3.3Å; D238-K241 PolarHBondContact O-N 2.93Å; D238-K241 IonicContact OD1-NZ 3.4Å; D238-A242 WeakPolarHBondContact O-CB 3.21Å; D238-A242 PolarHBondContact O-N 3.11Å |
| 239 | D | 92.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 171.5 | -171.2 | 49.5 | 0 | 0 | 0 | 110.9 | K235 L236 A242 F243 G300 L301 | K235-D239 PolarHBondContact O-N 2.95Å; L236-D239 PolarHBondContact O-N 3.11Å; D239-A242 PolarHBondContact O-N 2.7Å; D239-F243 WeakPolarHBondContact O-CB 3.38Å; D239-F243 PolarHBondContact O-N 3.15Å; D239-G300 VanDerWaalsContact OD2-CA 3.26Å; D239-G300 WeakPolarHBondContact OD2-CA 3.38Å; D239-L301 PolarHBondContact OD2-N 3.45Å |
| 240 | W | 92.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 174 | 162.8 | -112.7 | 0 | 0 | 0 | 113.6 | W163 L236 S237 D238 A242 F243 E244 L301 L328 L331 Y332 | W163-W240 AromaticContact CH2-CH2 3.38Å; W163-W240 HydrophobicContact CH2-CH2 3.38Å; W163-W240 AromaticContact CH2-CZ2 3.75Å; W163-W240 HydrophobicContact CH2-CZ2 3.75Å; W163-W240 HydrophobicContact CH2-CZ3 4.34Å; W163-W240 HydrophobicContact CZ2-CH2 4.18Å; W163-W240 HydrophobicContact CZ3-CH2 4.14Å; W163-W240 HydrophobicContact CZ3-CZ2 4.03Å; L236-W240 PolarHBondContact O-N 3.32Å; L236-W240 VanDerWaalsContact O-N 3.09Å; S237-W240 WeakPolarHBondContact O-CB 3.24Å; S237-W240 PolarHBondContact O-N 3.34Å; D238-W240 VanDerWaalsContact C-N 3.32Å; D238-W240 PolarHBondContact O-N 3.3Å; W240-A242 VanDerWaalsContact C-N 3.3Å; W240-A242 PolarHBondContact O-N 3.09Å; W240-F243 HydrophobicContact CE3-CD1 4.21Å; W240-F243 AromaticContact CZ3-CD1 3.98Å; W240-F243 HydrophobicContact CZ3-CD1 3.98Å; W240-F243 VanDerWaalsContact O-CB 3.31Å; W240-F243 WeakPolarHBondContact O-CB 3.47Å; W240-F243 PolarHBondContact O-N 3.41Å; W240-E244 HydrophobicContact CD2-CG 4.04Å; W240-E244 HydrophobicContact CE3-CG 3.89Å; W240-E244 HydrophobicContact CH2-CG 3.07Å; W240-E244 WeakPolarHBondContact CH2-OE1 3.48Å; W240-E244 HydrophobicContact CZ2-CG 3.3Å; W240-E244 HydrophobicContact CZ3-CG 3.39Å; W240-E244 WeakPolarHBondContact CZ3-OE1 3.46Å; W240-E244 PolarHBondContact O-N 2.86Å; W240-L301 HydrophobicContact CE3-CD1 4.2Å; W240-L328 HydrophobicContact CE3-CB 4.25Å; W240-L328 HydrophobicContact CE3-CD2 3.78Å; W240-L328 HydrophobicContact CH2-CB 4.33Å; W240-L328 HydrophobicContact CZ3-CB 3.7Å; W240-L328 HydrophobicContact CZ3-CD1 4.4Å; W240-L328 HydrophobicContact CZ3-CD2 3.61Å; W240-L328 HydrophobicContact CZ3-CG 4.07Å; W240-L331 HydrophobicContact CB-CB 3.65Å; W240-L331 HydrophobicContact CB-CD1 4.01Å; W240-L331 HydrophobicContact CB-CG 4.35Å; W240-L331 HydrophobicContact CD2-CB 4.24Å; W240-L331 HydrophobicContact CG-CB 3.84Å; W240-Y332 HydrophobicContact CZ2-CD2 4.35Å |
| 241 | K | 93.2 | Very high | 88.5 | Confident | 112 Ų | 112 | 47.5 Ų | 47.5 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.6 | -71.1 | 166.2 | -169.2 | 163.8 | 0 | 111.5 | S237 D238 F243 K245 | S237-K241 VanDerWaalsContact O-CG 3.28Å; S237-K241 WeakPolarHBondContact O-CG 3.24Å; S237-K241 PolarHBondContact O-N 2.98Å; S237-K241 WeakPolarHBondContact OG-CE 3.37Å; S237-K241 PolarHBondContact OG-NZ 3.31Å; D238-K241 PolarHBondContact O-N 2.93Å; D238-K241 IonicContact OD1-NZ 3.4Å; K241-F243 VanDerWaalsContact C-N 3.35Å; K241-K245 WeakPolarHBondContact O-CB 3.32Å; K241-K245 PolarHBondContact O-N 2.77Å |
| 242 | A | 92.3 | Very high | 86.3 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D238 D239 W240 H246 P267 | D238-A242 WeakPolarHBondContact O-CB 3.21Å; D238-A242 PolarHBondContact O-N 3.11Å; D239-A242 PolarHBondContact O-N 2.7Å; W240-A242 VanDerWaalsContact C-N 3.3Å; W240-A242 PolarHBondContact O-N 3.09Å; A242-H246 PolarHBondContact O-N 2.73Å; A242-P267 HydrophobicContact CB-CB 4.01Å; A242-P267 HydrophobicContact CB-CG 4.48Å; A242-P267 WeakPolarHBondContact O-CG 3.36Å |
| 243 | F | 89.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.4 | -55.3 | 174 | -177.7 | -93.6 | 0 | 0 | 0 | 112.5 | V61 D239 W240 K241 K245 H246 F247 L301 T302 L328 | V61-F243 HydrophobicContact CG2-CE1 4.25Å; V61-F243 HydrophobicContact CG2-CZ 4.24Å; D239-F243 WeakPolarHBondContact O-CB 3.38Å; D239-F243 PolarHBondContact O-N 3.15Å; W240-F243 HydrophobicContact CE3-CD1 4.21Å; W240-F243 AromaticContact CZ3-CD1 3.98Å; W240-F243 HydrophobicContact CZ3-CD1 3.98Å; W240-F243 VanDerWaalsContact O-CB 3.31Å; W240-F243 WeakPolarHBondContact O-CB 3.47Å; W240-F243 PolarHBondContact O-N 3.41Å; K241-F243 VanDerWaalsContact C-N 3.35Å; F243-K245 PolarHBondContact O-N 2.84Å; F243-H246 WeakPolarHBondContact O-CB 3.45Å; F243-H246 PolarHBondContact O-N 2.84Å; F243-F247 HydrophobicContact CD1-CD2 4.38Å; F243-F247 HydrophobicContact CD2-CE2 4.12Å; F243-F247 AromaticContact CE1-CD2 3.95Å; F243-F247 HydrophobicContact CE1-CD2 3.95Å; F243-F247 AromaticContact CE1-CE2 3.97Å; F243-F247 HydrophobicContact CE1-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CD2 4.13Å; F243-F247 AromaticContact CE2-CE2 3.42Å; F243-F247 HydrophobicContact CE2-CE2 3.42Å; F243-F247 VanDerWaalsContact CE2-CE2 3.42Å; F243-F247 HydrophobicContact CE2-CZ 4.38Å; F243-F247 AromaticContact CZ-CD2 3.82Å; F243-F247 HydrophobicContact CZ-CD2 3.82Å; F243-F247 AromaticContact CZ-CE2 3.34Å; F243-F247 HydrophobicContact CZ-CE2 3.34Å; F243-F247 HydrophobicContact CZ-CZ 4.27Å; F243-F247 WeakPolarHBondContact O-CD2 3.25Å; F243-F247 PolarHBondContact O-N 2.95Å; F243-L301 HydrophobicContact CB-CD1 3.75Å; F243-L301 HydrophobicContact CD1-CD1 4.22Å; F243-L301 HydrophobicContact CD2-CB 4.27Å; F243-L301 HydrophobicContact CD2-CD1 4.18Å; F243-L301 HydrophobicContact CG-CD1 3.77Å; F243-T302 HydrophobicContact CD2-CG2 3.92Å; F243-T302 HydrophobicContact CE2-CG2 3.99Å; F243-L328 HydrophobicContact CD1-CD2 3.96Å; F243-L328 HydrophobicContact CE1-CD1 4.09Å; F243-L328 HydrophobicContact CE1-CD2 3.87Å; F243-L328 HydrophobicContact CZ-CD2 4.44Å |
| 244 | E | 88.9 | Confident | 81.4 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | -179.4 | -77.9 | -62.1 | 125.1 | 0 | 0 | 112.7 | R60 W240 H246 F247 Q248 | R60-E244 WeakPolarHBondContact CG-OE2 3.31Å; R60-E244 PolarHBondContact N-OE2 3.22Å; W240-E244 HydrophobicContact CD2-CG 4.04Å; W240-E244 HydrophobicContact CE3-CG 3.89Å; W240-E244 HydrophobicContact CH2-CG 3.07Å; W240-E244 WeakPolarHBondContact CH2-OE1 3.48Å; W240-E244 HydrophobicContact CZ2-CG 3.3Å; W240-E244 HydrophobicContact CZ3-CG 3.39Å; W240-E244 WeakPolarHBondContact CZ3-OE1 3.46Å; W240-E244 PolarHBondContact O-N 2.86Å; E244-H246 VanDerWaalsContact C-N 3.26Å; E244-H246 PolarHBondContact O-N 2.68Å; E244-F247 PolarHBondContact O-N 3.22Å; E244-Q248 WeakPolarHBondContact O-CB 3.35Å; E244-Q248 PolarHBondContact O-N 2.88Å |
| 245 | K | 89.4 | Confident | 79.2 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 176.9 | -175.2 | 176.4 | -178.6 | 178.4 | 0 | 112 | K241 F243 Q248 N249 | K241-K245 WeakPolarHBondContact O-CB 3.32Å; K241-K245 PolarHBondContact O-N 2.77Å; F243-K245 PolarHBondContact O-N 2.84Å; K245-Q248 PolarHBondContact O-N 3.36Å; K245-N249 PolarHBondContact O-N 3.06Å; K245-N249 PolarHBondContact O-ND2 3.17Å |
| 246 | H | 87.4 | Confident | 76.8 | Confident | 36 Ų | 36 | 68.6 Ų | 68.6 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 176.2 | 175.9 | 87.3 | 0 | 0 | 0 | 111.7 | A242 F243 E244 N249 Q250 T265 P267 | A242-H246 PolarHBondContact O-N 2.73Å; F243-H246 WeakPolarHBondContact O-CB 3.45Å; F243-H246 PolarHBondContact O-N 2.84Å; E244-H246 VanDerWaalsContact C-N 3.26Å; E244-H246 PolarHBondContact O-N 2.68Å; H246-N249 PolarHBondContact O-N 2.84Å; H246-Q250 PolarHBondContact CE1-NE2 3.45Å; H246-Q250 PolarHBondContact NE2-NE2 2.86Å; H246-T265 PolarHBondContact CE1-O 3.42Å; H246-T265 PolarHBondContact ND1-O 2.84Å; H246-P267 HydrophobicContact CB-CG 3.55Å |
| 247 | F | 81.9 | Confident | 74.5 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.044 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.2 | -27.4 | 178.3 | -73.7 | -75.8 | 0 | 0 | 0 | 113.3 | R60 V61 F243 E244 N249 Q250 Y260 P261 M266 | R60-F247 HydrophobicContact CB-CB 4Å; V61-F247 HydrophobicContact CG1-CB 4.44Å; V61-F247 HydrophobicContact CG1-CD1 3.34Å; V61-F247 HydrophobicContact CG1-CD2 3.82Å; V61-F247 HydrophobicContact CG1-CE1 3.34Å; V61-F247 HydrophobicContact CG1-CE2 3.85Å; V61-F247 HydrophobicContact CG1-CG 3.58Å; V61-F247 HydrophobicContact CG1-CZ 3.6Å; F243-F247 HydrophobicContact CD1-CD2 4.38Å; F243-F247 HydrophobicContact CD2-CE2 4.12Å; F243-F247 AromaticContact CE1-CD2 3.95Å; F243-F247 HydrophobicContact CE1-CD2 3.95Å; F243-F247 AromaticContact CE1-CE2 3.97Å; F243-F247 HydrophobicContact CE1-CE2 3.97Å; F243-F247 HydrophobicContact CE2-CD2 4.13Å; F243-F247 AromaticContact CE2-CE2 3.42Å; F243-F247 HydrophobicContact CE2-CE2 3.42Å; F243-F247 VanDerWaalsContact CE2-CE2 3.42Å; F243-F247 HydrophobicContact CE2-CZ 4.38Å; F243-F247 AromaticContact CZ-CD2 3.82Å; F243-F247 HydrophobicContact CZ-CD2 3.82Å; F243-F247 AromaticContact CZ-CE2 3.34Å; F243-F247 HydrophobicContact CZ-CE2 3.34Å; F243-F247 HydrophobicContact CZ-CZ 4.27Å; F243-F247 WeakPolarHBondContact O-CD2 3.25Å; F243-F247 PolarHBondContact O-N 2.95Å; E244-F247 PolarHBondContact O-N 3.22Å; F247-N249 PolarHBondContact O-N 3.39Å; F247-Q250 PolarHBondContact O-N 3.45Å; F247-Y260 HydrophobicContact CE1-CD1 4.28Å; F247-Y260 HydrophobicContact CE1-CE1 4.13Å; F247-Y260 HydrophobicContact CZ-CD1 4.44Å; F247-Y260 HydrophobicContact CZ-CE1 4.38Å; F247-P261 HydrophobicContact CE1-CG 3.95Å; F247-P261 HydrophobicContact CZ-CG 4.31Å; F247-M266 HydrophobicContact CE1-CE 4.5Å; F247-M266 HydrophobicContact CE2-CE 4.41Å; F247-M266 HydrophobicContact CE2-SD 4.13Å; F247-M266 HydrophobicContact CZ-CE 3.69Å; F247-M266 HydrophobicContact CZ-SD 4Å |
| 248 | Q | 82.3 | Confident | 72.3 | Confident | 97 Ų | 97 | 78.1 Ų | 78.1 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.3 | -32.4 | 171.8 | -171.5 | 174.1 | 10.9 | 0 | 0 | 112.2 | E244 K245 S251 | E244-Q248 WeakPolarHBondContact O-CB 3.35Å; E244-Q248 PolarHBondContact O-N 2.88Å; K245-Q248 PolarHBondContact O-N 3.36Å; Q248-S251 PolarHBondContact O-OG 2.82Å |
| 249 | N | 72.7 | Confident | 70.3 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 63% | 0.631 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.2 | -179.1 | -66.1 | -25.3 | 0 | 0 | 0 | 113.8 | K245 H246 F247 | K245-N249 PolarHBondContact O-N 3.06Å; K245-N249 PolarHBondContact O-ND2 3.17Å; H246-N249 PolarHBondContact O-N 2.84Å; F247-N249 PolarHBondContact O-N 3.39Å |
| 250 | Q | 69.7 | Low | 68.5 | Low | 38 Ų | 38 | 81 Ų | 81 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -2.3 | -177.7 | -73.7 | -176.9 | -4.6 | 0 | 0 | 114.3 | H246 F247 T252 Y258 | H246-Q250 PolarHBondContact CE1-NE2 3.45Å; H246-Q250 PolarHBondContact NE2-NE2 2.86Å; F247-Q250 PolarHBondContact O-N 3.45Å; Q250-T252 PolarHBondContact O-N 3.2Å; Q250-Y258 PolarHBondContact OE1-OH 2.98Å |
| 251 | S | 54.3 | Low | 66.9 | Low | 86 Ų | 86 | 81.3 Ų | 81.3 | 60% | 0.601 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 76.4 | 178.7 | 42.2 | 0 | 0 | 0 | 0 | 111.1 | Q248 | Q248-S251 PolarHBondContact O-OG 2.82Š|
| 252 | T | 50.2 | Low | 65.4 | Low | 134 Ų | 134 | 82.7 Ų | 82.7 | 82% | 0.822 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 178.1 | 10.8 | 155 | 23.8 | 0 | 0 | 0 | 0 | 114.9 | Q250 N254 | Q250-T252 PolarHBondContact O-N 3.2Å; T252-N254 PolarHBondContact O-N 2.85Å; T252-N254 VanDerWaalsContact O-N 3.14Å |
| 253 | I | 46 | Very low | 64.1 | Low | 120 Ų | 120 | 85.6 Ų | 85.6 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | trans | -73.5 | 117.4 | -178.3 | -54.2 | 179.2 | 0 | 0 | 0 | 110.7 | ||||
| 254 | N | 45.5 | Very low | 63.1 | Low | 132 Ų | 132 | 89.9 Ų | 89.9 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | -33.1 | 145.6 | -176.3 | -80.5 | -36.4 | 0 | 0 | 0 | 116.1 | T252 S256 | T252-N254 PolarHBondContact O-N 2.85Å; T252-N254 VanDerWaalsContact O-N 3.14Å; N254-S256 PolarHBondContact O-N 3.15Å | ||
| 255 | N | 49.6 | Very low | 62.5 | Low | 152 Ų | 152 | 92.1 Ų | 92.1 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -3.3 | -175.5 | -82.8 | -25.2 | 0 | 0 | 0 | 118.1 | R70 | R70-N255 PolarHBondContact NH1-O 3.06Š|
| 256 | S | 46.3 | Very low | 62.2 | Low | 105 Ų | 105 | 86.6 Ų | 86.6 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -19.9 | -167.9 | 53.4 | 0 | 0 | 0 | 0 | 116.6 | N254 | N254-S256 PolarHBondContact O-N 3.15Š|
| 257 | E | 49.8 | Very low | 62.1 | Low | 154 Ų | 154 | 86 Ų | 86 | 72% | 0.72 | 47% | 0.474 | S | S | * | . | trans | -175 | 107.3 | 173.8 | -109.3 | 158.5 | -160.9 | 0 | 0 | 107.8 | V259 | E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 HydrophobicContact CB-CG2 4.49Å; E257-V259 PolarHBondContact O-N 2.68Å; E257-V259 VanDerWaalsContact O-N 3.08Å | ||
| 258 | Y | 49.9 | Very low | 62.4 | Low | 51 Ų | 51 | 90.1 Ų | 90.1 | 20% | 0.2 | 50% | 0.504 | C | S | . | . | trans | -78.6 | 96.3 | 166.7 | -165.5 | -100.4 | 0 | 0 | 0 | 107 | F71 Q250 Y260 | F71-Y258 HydrophobicContact CE2-CD1 4.48Å; F71-Y258 HydrophobicContact CE2-CG 4.48Å; F71-Y258 HydrophobicContact CZ-CD1 4.45Å; F71-Y258 HydrophobicContact CZ-CG 4.24Å; Q250-Y258 PolarHBondContact OE1-OH 2.98Å; Y258-Y260 AromaticContact CD1-CD2 3.61Å; Y258-Y260 HydrophobicContact CD1-CD2 3.61Å; Y258-Y260 AromaticContact CD1-CE2 3.62Å; Y258-Y260 HydrophobicContact CD1-CE2 3.62Å; Y258-Y260 HydrophobicContact CD1-CG 4.3Å; Y258-Y260 HydrophobicContact CE1-CD1 4.15Å; Y258-Y260 AromaticContact CE1-CD2 3.57Å; Y258-Y260 HydrophobicContact CE1-CD2 3.57Å; Y258-Y260 HydrophobicContact CE1-CE1 4.12Å; Y258-Y260 AromaticContact CE1-CE2 3.46Å; Y258-Y260 HydrophobicContact CE1-CE2 3.46Å; Y258-Y260 VanDerWaalsContact CE1-CE2 3.46Å; Y258-Y260 AromaticContact CE1-CG 3.91Å; Y258-Y260 HydrophobicContact CE1-CG 3.91Å; Y258-Y260 AromaticContact CE1-CZ 3.8Å; Y258-Y260 PolarHBondContact O-N 3.46Å | ||
| 259 | V | 52.7 | Low | 62.8 | Low | 110 Ų | 110 | 86.2 Ų | 86.2 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | trans | -76.5 | 114.9 | 163.6 | -175 | 0 | 0 | 0 | 0 | 105.3 | E257 | E257-V259 VanDerWaalsContact C-N 3.34Å; E257-V259 HydrophobicContact CB-CG2 4.49Å; E257-V259 PolarHBondContact O-N 2.68Å; E257-V259 VanDerWaalsContact O-N 3.08Å | ||
| 260 | Y | 55.6 | Low | 63.7 | Low | 34 Ų | 34 | 86.9 Ų | 86.9 | 13% | 0.133 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 139.9 | 170.3 | -100.4 | -97.1 | 0 | 0 | 0 | 108.2 | V61 L171 F247 Y258 E262 | V61-Y260 HydrophobicContact CB-CE1 4.18Å; V61-Y260 HydrophobicContact CG1-CE1 3.82Å; V61-Y260 PolarHBondContact O-OH 2.83Å; L171-Y260 HydrophobicContact CB-CD2 3.8Å; L171-Y260 HydrophobicContact CB-CE2 3.36Å; L171-Y260 HydrophobicContact CD1-CD2 4.41Å; L171-Y260 HydrophobicContact CD1-CE2 3.38Å; L171-Y260 HydrophobicContact CG-CE2 3.93Å; F247-Y260 HydrophobicContact CE1-CD1 4.28Å; F247-Y260 HydrophobicContact CE1-CE1 4.13Å; F247-Y260 HydrophobicContact CZ-CD1 4.44Å; F247-Y260 HydrophobicContact CZ-CE1 4.38Å; Y258-Y260 AromaticContact CD1-CD2 3.61Å; Y258-Y260 HydrophobicContact CD1-CD2 3.61Å; Y258-Y260 AromaticContact CD1-CE2 3.62Å; Y258-Y260 HydrophobicContact CD1-CE2 3.62Å; Y258-Y260 HydrophobicContact CD1-CG 4.3Å; Y258-Y260 HydrophobicContact CE1-CD1 4.15Å; Y258-Y260 AromaticContact CE1-CD2 3.57Å; Y258-Y260 HydrophobicContact CE1-CD2 3.57Å; Y258-Y260 HydrophobicContact CE1-CE1 4.12Å; Y258-Y260 AromaticContact CE1-CE2 3.46Å; Y258-Y260 HydrophobicContact CE1-CE2 3.46Å; Y258-Y260 VanDerWaalsContact CE1-CE2 3.46Å; Y258-Y260 AromaticContact CE1-CG 3.91Å; Y258-Y260 HydrophobicContact CE1-CG 3.91Å; Y258-Y260 AromaticContact CE1-CZ 3.8Å; Y258-Y260 PolarHBondContact O-N 3.46Å; Y260-E262 PolarHBondContact O-N 3.01Å |
| 261 | P | 57.8 | Low | 64.8 | Low | 20 Ų | 20 | 91.3 Ų | 91.3 | 13% | 0.13 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 135.7 | -172.9 | -12.9 | 24.4 | 0 | 0 | 0 | 108.7 | F247 L263 T265 M266 | F247-P261 HydrophobicContact CE1-CG 3.95Å; F247-P261 HydrophobicContact CZ-CG 4.31Å; P261-L263 PolarHBondContact O-N 2.97Å; P261-T265 WeakPolarHBondContact CB-OG1 3.19Å; P261-M266 HydrophobicContact CB-CE 3.53Å; P261-M266 HydrophobicContact CG-CE 3.55Å; P261-M266 VanDerWaalsContact O-CE 3.31Å; P261-M266 WeakPolarHBondContact O-CE 3.49Å |
| 262 | E | 61.7 | Low | 66.8 | Low | 141 Ų | 141 | 87.3 Ų | 87.3 | 66% | 0.659 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 145.9 | 173.4 | -72 | -173.3 | 176.1 | 0 | 0 | 108.8 | Y260 S264 T265 M266 | Y260-E262 PolarHBondContact O-N 3.01Å; E262-S264 WeakPolarHBondContact CB-OG 3.23Å; E262-S264 PolarHBondContact O-N 3.14Å; E262-S264 PolarHBondContact OE2-OG 2.79Å; E262-S264 VanDerWaalsContact OE2-OG 3.05Å; E262-T265 HydrophobicContact CB-CG2 4.49Å; E262-T265 PolarHBondContact N-OG1 3.41Å; E262-T265 PolarHBondContact O-N 3.21Å; E262-T265 PolarHBondContact O-OG1 2.84Å; E262-M266 PolarHBondContact O-N 2.9Å |
| 263 | L | 65.7 | Low | 68.9 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -53.7 | -27.1 | 178.9 | -147.8 | 79.5 | 0 | 0 | 0 | 111.8 | P261 T265 M266 | P261-L263 PolarHBondContact O-N 2.97Å; L263-T265 VanDerWaalsContact C-N 3.27Å; L263-T265 PolarHBondContact O-N 3.48Å; L263-M266 WeakPolarHBondContact O-CB 3.21Å; L263-M266 PolarHBondContact O-N 3.3Å |
| 264 | S | 67 | Low | 71.3 | Confident | 92 Ų | 92 | 80.3 Ų | 80.3 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -61.3 | -27.2 | 173.4 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | E262 | E262-S264 WeakPolarHBondContact CB-OG 3.23Å; E262-S264 PolarHBondContact O-N 3.14Å; E262-S264 PolarHBondContact OE2-OG 2.79Å; E262-S264 VanDerWaalsContact OE2-OG 3.05Å |
| 265 | T | 76.8 | Confident | 73.7 | Confident | 73 Ų | 73 | 74.5 Ų | 74.5 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -94.9 | -12.8 | -179.8 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | H246 P261 E262 L263 | H246-T265 PolarHBondContact CE1-O 3.42Å; H246-T265 PolarHBondContact ND1-O 2.84Å; P261-T265 WeakPolarHBondContact CB-OG1 3.19Å; E262-T265 HydrophobicContact CB-CG2 4.49Å; E262-T265 PolarHBondContact N-OG1 3.41Å; E262-T265 PolarHBondContact O-N 3.21Å; E262-T265 PolarHBondContact O-OG1 2.84Å; L263-T265 VanDerWaalsContact C-N 3.27Å; L263-T265 PolarHBondContact O-N 3.48Å |
| 266 | M | 82.6 | Confident | 76 | Confident | 16 Ų | 16 | 73 Ų | 73 | 8% | 0.079 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -64.9 | 153.5 | 178.6 | -70.3 | -67.5 | 159 | 0 | 0 | 111.4 | F247 P261 E262 L263 S268 T302 | F247-M266 HydrophobicContact CE1-CE 4.5Å; F247-M266 HydrophobicContact CE2-CE 4.41Å; F247-M266 HydrophobicContact CE2-SD 4.13Å; F247-M266 HydrophobicContact CZ-CE 3.69Å; F247-M266 HydrophobicContact CZ-SD 4Å; P261-M266 HydrophobicContact CB-CE 3.53Å; P261-M266 HydrophobicContact CG-CE 3.55Å; P261-M266 VanDerWaalsContact O-CE 3.31Å; P261-M266 WeakPolarHBondContact O-CE 3.49Å; E262-M266 PolarHBondContact O-N 2.9Å; L263-M266 WeakPolarHBondContact O-CB 3.21Å; L263-M266 PolarHBondContact O-N 3.3Å; M266-S268 PolarHBondContact O-N 2.94Å; M266-T302 HydrophobicContact CB-CG2 3.67Å; M266-T302 HydrophobicContact CG-CG2 3.75Å; M266-T302 HydrophobicContact SD-CG2 3.81Å |
| 267 | P | 86.2 | Confident | 78.4 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 16% | 0.156 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 142.8 | 169.9 | -27.7 | 38 | 0 | 0 | 0 | 111.8 | A242 H246 T302 | A242-P267 HydrophobicContact CB-CB 4.01Å; A242-P267 HydrophobicContact CB-CG 4.48Å; A242-P267 WeakPolarHBondContact O-CG 3.36Å; H246-P267 HydrophobicContact CB-CG 3.55Å; P267-T302 PolarHBondContact O-OG1 2.86Å |
| 268 | S | 88.5 | Confident | 80.6 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 133.6 | 177.6 | -177 | 0 | 0 | 0 | 0 | 110.8 | M266 F270 | M266-S268 PolarHBondContact O-N 2.94Å; S268-F270 VanDerWaalsContact C-N 3.3Å; S268-F270 VanDerWaalsContact OG-CB 3.31Å; S268-F270 WeakPolarHBondContact OG-CB 3.38Å; S268-F270 PolarHBondContact OG-N 2.88Å |
| 269 | T | 90.1 | Very high | 82.8 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | trans | -92.8 | 13 | 172.8 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | Q271 I272 D273 T302 | T269-Q271 VanDerWaalsContact C-N 3.28Å; T269-Q271 PolarHBondContact O-N 3.31Å; T269-Q271 VanDerWaalsContact O-N 3.16Å; T269-I272 VanDerWaalsContact O-CG2 3.32Å; T269-I272 WeakPolarHBondContact O-CG2 3.33Å; T269-I272 PolarHBondContact O-N 3.19Å; T269-D273 WeakPolarHBondContact CB-OD2 3.42Å; T269-D273 VanDerWaalsContact O-CB 3.31Å; T269-D273 WeakPolarHBondContact O-CB 3.35Å; T269-D273 PolarHBondContact O-N 3.44Å; T269-D273 PolarHBondContact OG1-OD2 2.89Å; T269-T302 WeakPolarHBondContact CG2-OG1 2.99Å | ||
| 270 | F | 91.6 | Very high | 84.9 | Confident | 133 Ų | 133 | 60.9 Ų | 60.9 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -54 | -41.7 | -169.4 | 179.5 | -90.6 | 0 | 0 | 0 | 113.2 | S268 N274 | S268-F270 VanDerWaalsContact C-N 3.3Å; S268-F270 VanDerWaalsContact OG-CB 3.31Å; S268-F270 WeakPolarHBondContact OG-CB 3.38Å; S268-F270 PolarHBondContact OG-N 2.88Å; F270-N274 WeakPolarHBondContact CD2-ND2 3.37Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.21Å; F270-N274 WeakPolarHBondContact O-CB 3.48Å; F270-N274 PolarHBondContact O-N 3.02Å; F270-N274 VanDerWaalsContact O-N 3.08Å; F270-N274 PolarHBondContact O-ND2 3.37Å |
| 271 | Q | 94 | Very high | 86.8 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 61% | 0.607 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | -176.9 | -72.1 | -176 | -43.8 | 0 | 0 | 112.4 | T269 D275 | T269-Q271 VanDerWaalsContact C-N 3.28Å; T269-Q271 PolarHBondContact O-N 3.31Å; T269-Q271 VanDerWaalsContact O-N 3.16Å; Q271-D275 WeakPolarHBondContact O-CB 3.4Å; Q271-D275 PolarHBondContact O-N 2.92Å |
| 272 | I | 94.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79.3 | -36.4 | 179.8 | -170 | 65.9 | 0 | 0 | 0 | 111.6 | V232 L236 T269 N274 D275 I298 G300 | V232-I272 HydrophobicContact CG1-CD1 4.48Å; L236-I272 HydrophobicContact CD2-CD1 3.65Å; L236-I272 HydrophobicContact CD2-CG1 3.76Å; L236-I272 HydrophobicContact CG-CD1 3.94Å; T269-I272 VanDerWaalsContact O-CG2 3.32Å; T269-I272 WeakPolarHBondContact O-CG2 3.33Å; T269-I272 PolarHBondContact O-N 3.19Å; I272-N274 PolarHBondContact O-N 2.78Å; I272-D275 WeakPolarHBondContact O-CB 3.38Å; I272-D275 PolarHBondContact O-N 3.37Å; I272-I298 HydrophobicContact CG1-CG2 4.42Å; I272-G300 VanDerWaalsContact CG2-CA 3.4Å |
| 273 | D | 94.8 | Very high | 90.1 | Very high | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.3 | -21.5 | -178.4 | -76.1 | -15.7 | 0 | 0 | 0 | 113.5 | T269 N295 C299 G300 S303 R305 | T269-D273 WeakPolarHBondContact CB-OD2 3.42Å; T269-D273 VanDerWaalsContact O-CB 3.31Å; T269-D273 WeakPolarHBondContact O-CB 3.35Å; T269-D273 PolarHBondContact O-N 3.44Å; T269-D273 PolarHBondContact OG1-OD2 2.89Å; D273-N295 WeakPolarHBondContact O-CB 3.33Å; D273-N295 PolarHBondContact O-ND2 3.17Å; D273-C299 VanDerWaalsContact OD1-CA 3.26Å; D273-C299 WeakPolarHBondContact OD1-CA 3.24Å; D273-C299 VanDerWaalsContact OD1-CB 3.31Å; D273-C299 WeakPolarHBondContact OD1-CB 3.4Å; D273-G300 PolarHBondContact OD1-N 3.2Å; D273-S303 VanDerWaalsContact CG-OG 3.27Å; D273-S303 PolarHBondContact OD1-OG 3.16Å; D273-S303 VanDerWaalsContact OD2-CB 3.22Å; D273-S303 WeakPolarHBondContact OD2-CB 3.45Å; D273-S303 PolarHBondContact OD2-OG 3.11Å; D273-R305 PolarHBondContact O-NH1 3.34Å; D273-R305 IonicContact OD1-CZ 3.82Å; D273-R305 IonicContact OD1-NE 3.86Å; D273-R305 PolarHBondContact OD1-NE 3.25Å; D273-R305 IonicContact OD1-NH2 3.48Å; D273-R305 PolarHBondContact OD1-NH2 3.49Å; D273-R305 IonicContact OD2-NE 2.83Å |
| 274 | N | 96 | Very high | 91.1 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 8.7 | 175.8 | -63.1 | -84.1 | 0 | 0 | 0 | 112.8 | F270 I272 Q276 | F270-N274 WeakPolarHBondContact CD2-ND2 3.37Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.21Å; F270-N274 WeakPolarHBondContact O-CB 3.48Å; F270-N274 PolarHBondContact O-N 3.02Å; F270-N274 VanDerWaalsContact O-N 3.08Å; F270-N274 PolarHBondContact O-ND2 3.37Å; I272-N274 PolarHBondContact O-N 2.78Å; N274-Q276 PolarHBondContact O-N 2.81Å |
| 275 | D | 96.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | trans | -74.4 | 108.4 | -179.4 | -168.5 | 2.5 | 0 | 0 | 0 | 111.3 | K235 Q271 I272 T277 V294 N295 | K235-D275 WeakPolarHBondContact CD-OD2 3.12Å; K235-D275 WeakPolarHBondContact CE-OD2 3.33Å; K235-D275 IonicContact NZ-OD1 3.02Å; K235-D275 PolarHBondContact NZ-OD1 3.39Å; K235-D275 IonicContact NZ-OD2 2.66Å; K235-D275 PolarHBondContact NZ-OD2 3.36Å; Q271-D275 WeakPolarHBondContact O-CB 3.4Å; Q271-D275 PolarHBondContact O-N 2.92Å; I272-D275 WeakPolarHBondContact O-CB 3.38Å; I272-D275 PolarHBondContact O-N 3.37Å; D275-T277 VanDerWaalsContact C-N 3.33Å; D275-T277 VanDerWaalsContact OD1-CB 3.28Å; D275-T277 WeakPolarHBondContact OD1-CB 3.46Å; D275-T277 PolarHBondContact OD1-N 2.96Å; D275-T277 PolarHBondContact OD1-OG1 2.69Å; D275-V294 HydrophobicContact CB-CG1 3.63Å; D275-V294 VanDerWaalsContact CG-CG1 3.45Å; D275-V294 WeakPolarHBondContact O-CG1 3.27Å; D275-N295 WeakPolarHBondContact O-CB 3.13Å; D275-N295 VanDerWaalsContact O-CG 3.23Å; D275-N295 PolarHBondContact O-N 3.13Å; D275-N295 PolarHBondContact O-OD1 2.97Å | ||
| 276 | Q | 97.2 | Very high | 92.3 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | trans | -93.6 | 11.3 | 179 | -62.7 | -73.1 | -19 | 0 | 0 | 112.6 | N274 A278 P293 N295 | N274-Q276 PolarHBondContact O-N 2.81Å; Q276-A278 PolarHBondContact O-N 3.21Å; Q276-P293 VanDerWaalsContact OE1-CB 3.28Å; Q276-N295 PolarHBondContact NE2-ND2 3.37Å; Q276-N295 PolarHBondContact NE2-OD1 3.49Å; Q276-N295 PolarHBondContact OE1-OD1 3.07Å | ||
| 277 | T | 97.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | trans | -53.2 | 124.8 | 175.8 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | P229 V232 K235 D275 V279 V294 | P229-T277 HydrophobicContact CG-CG2 4.48Å; V232-T277 HydrophobicContact CG2-CG2 3.78Å; K235-T277 PolarHBondContact NZ-OG1 2.95Å; D275-T277 VanDerWaalsContact C-N 3.33Å; D275-T277 VanDerWaalsContact OD1-CB 3.28Å; D275-T277 WeakPolarHBondContact OD1-CB 3.46Å; D275-T277 PolarHBondContact OD1-N 2.96Å; D275-T277 PolarHBondContact OD1-OG1 2.69Å; T277-V279 PolarHBondContact O-N 3.25Å; T277-V294 PolarHBondContact O-N 2.92Å | ||
| 278 | A | 96.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q276 | Q276-A278 PolarHBondContact O-N 3.21Å |
| 279 | V | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 159.8 | 177.7 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | V226 L228 P229 V232 T277 S291 V292 V294 L297 | V226-V279 HydrophobicContact CG2-CB 4.3Å; V226-V279 HydrophobicContact CG2-CG2 3.86Å; L228-V279 HydrophobicContact CD2-CB 4.36Å; L228-V279 HydrophobicContact CD2-CG1 4.07Å; L228-V279 HydrophobicContact CD2-CG2 4.45Å; P229-V279 HydrophobicContact CG-CG1 4.41Å; V232-V279 HydrophobicContact CG2-CG1 4.23Å; T277-V279 PolarHBondContact O-N 3.25Å; V279-S291 WeakPolarHBondContact O-CA 3.36Å; V279-V292 VanDerWaalsContact CG2-O 3.25Å; V279-V292 WeakPolarHBondContact CG2-O 3.48Å; V279-V292 PolarHBondContact N-O 2.93Å; V279-V292 PolarHBondContact O-N 2.95Å; V279-V294 HydrophobicContact CG1-CB 3.98Å; V279-V294 HydrophobicContact CG1-CG2 4.46Å; V279-V294 HydrophobicContact CG2-CB 3.99Å; V279-V294 HydrophobicContact CG2-CG2 4.42Å; V279-L297 HydrophobicContact CG2-CD1 3.85Å |
| 280 | W | 96.2 | Very high | 93 | Very high | 60 Ų | 60 | 59.2 Ų | 59.2 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123 | 179.5 | -64.2 | 108 | 0 | 0 | 0 | 110.2 | H209 L212 V226 W227 W289 Q290 | H209-W280 HydrophobicContact CB-CH2 3.75Å; H209-W280 HydrophobicContact CB-CZ2 3.56Å; H209-W280 HydrophobicContact CB-CZ3 4.33Å; H209-W280 AromaticContact CD2-CE3 3.7Å; H209-W280 AromaticContact CD2-CH2 3.7Å; H209-W280 AromaticContact CD2-CZ3 3.41Å; H209-W280 VanDerWaalsContact CD2-CZ3 3.41Å; H209-W280 WeakPolarHBondContact CD2-CZ3 3.4Å; H209-W280 AromaticContact CG-CH2 3.84Å; L212-W280 HydrophobicContact CD1-CB 3.43Å; L212-W280 VanDerWaalsContact CD1-CB 3.43Å; L212-W280 HydrophobicContact CD1-CD2 4.16Å; L212-W280 HydrophobicContact CD1-CG 3.46Å; L212-W280 VanDerWaalsContact CD1-CG 3.46Å; V226-W280 CarbonylContact C-O 3.56Å; V226-W280 VanDerWaalsContact CA-O 3.3Å; V226-W280 WeakPolarHBondContact CA-O 3.37Å; V226-W280 WeakPolarHBondContact CG2-O 3.41Å; W227-W280 HydrophobicContact CB-CB 4.3Å; W227-W280 AromaticContact CE3-CD1 3.93Å; W227-W280 PolarHBondContact N-O 3.2Å; W280-W289 HydrophobicContact CB-CD2 4.29Å; W280-W289 HydrophobicContact CB-CE3 3.66Å; W280-W289 HydrophobicContact CB-CZ3 4.2Å; W280-W289 HydrophobicContact CE3-CB 3.9Å; W280-W289 WeakPolarHBondContact O-CZ3 3.43Å; W280-Q290 WeakPolarHBondContact CA-O 3.45Å |
| 281 | Y | 95.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 56.4 Ų | 56.4 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.5 | -177.7 | 170.3 | -93.5 | 0 | 0 | 0 | 111.1 | W115 A224 W289 Q290 V292 L297 E318 V319 | W115-Y281 HydrophobicContact CH2-CD2 4.14Å; W115-Y281 HydrophobicContact CH2-CE2 4.01Å; A224-Y281 HydrophobicContact CB-CD2 4.37Å; A224-Y281 HydrophobicContact CB-CE2 3.46Å; A224-Y281 VanDerWaalsContact CB-CE2 3.46Å; Y281-W289 VanDerWaalsContact C-CE3 3.48Å; Y281-Q290 PolarHBondContact N-O 3.45Å; Y281-Q290 PolarHBondContact O-N 2.99Å; Y281-V292 HydrophobicContact CD1-CG2 4.49Å; Y281-V292 HydrophobicContact CG-CG2 4.44Å; Y281-L297 HydrophobicContact CD2-CD1 3.81Å; Y281-L297 HydrophobicContact CD2-CD2 3.66Å; Y281-L297 HydrophobicContact CD2-CG 4.39Å; Y281-L297 HydrophobicContact CE2-CD2 3.87Å; Y281-L297 HydrophobicContact CG-CD1 4.2Å; Y281-L297 HydrophobicContact CG-CD2 4.27Å; Y281-E318 PolarHBondContact OH-OE2 3.05Å; Y281-V319 HydrophobicContact CE1-CG2 4Å |
| 282 | W | 94.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 5% | 0.053 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 109.1 | 173.4 | -170.8 | -62.5 | 0 | 0 | 0 | 109.3 | Q214 F215 A224 A225 S286 L287 D288 W289 | Q214-W282 HydrophobicContact CB-CH2 4.12Å; Q214-W282 HydrophobicContact CG-CH2 4.15Å; Q214-W282 HydrophobicContact CG-CZ3 4.47Å; F215-W282 WeakPolarHBondContact O-CZ2 3.2Å; A224-W282 CarbonylContact C-O 3.55Å; A224-W282 VanDerWaalsContact CA-O 3.25Å; A224-W282 WeakPolarHBondContact CA-O 3.28Å; A225-W282 PolarHBondContact N-O 2.93Å; A225-W282 PolarHBondContact O-N 3.41Å; W282-S286 PolarHBondContact NE1-O 3.29Å; W282-L287 VanDerWaalsContact CH2-O 3.31Å; W282-L287 WeakPolarHBondContact CH2-O 3.4Å; W282-D288 VanDerWaalsContact CZ3-CA 3.49Å; W282-W289 HydrophobicContact CB-CD2 4.17Å; W282-W289 HydrophobicContact CB-CE3 3.8Å; W282-W289 HydrophobicContact CB-CH2 4.07Å; W282-W289 HydrophobicContact CB-CZ2 4.39Å; W282-W289 HydrophobicContact CB-CZ3 3.75Å; W282-W289 HydrophobicContact CE3-CB 4.41Å; W282-W289 AromaticContact CE3-CD1 3.48Å; W282-W289 VanDerWaalsContact CE3-CD1 3.48Å; W282-W289 AromaticContact CE3-CD2 3.73Å; W282-W289 HydrophobicContact CE3-CD2 3.73Å; W282-W289 AromaticContact CE3-CE2 3.62Å; W282-W289 HydrophobicContact CE3-CE3 4.5Å; W282-W289 AromaticContact CE3-CG 3.65Å; W282-W289 HydrophobicContact CE3-CG 3.65Å; W282-W289 HydrophobicContact CE3-CZ2 4.35Å; W282-W289 AromaticContact CE3-NE1 3.41Å; W282-W289 AromaticContact CZ3-CD1 3.56Å; W282-W289 HydrophobicContact CZ3-CG 4.13Å; W282-W289 AromaticContact CZ3-NE1 3.64Å |
| 283 | G | 93 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 161.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | N285 S286 | G283-N285 PolarHBondContact O-N 2.94Å; G283-N285 VanDerWaalsContact O-N 3.13Å; G283-S286 PolarHBondContact N-OG 3.32Å; G283-S286 WeakPolarHBondContact O-CB 3.38Å; G283-S286 PolarHBondContact O-N 2.86Å |
| 284 | V | 87.2 | Confident | 93.4 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.8 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 114.4 | L217 V219 V222 C223 E318 | L217-V284 HydrophobicContact CB-CG1 4.11Å; L217-V284 HydrophobicContact CD1-CG1 4.17Å; V219-V284 HydrophobicContact CB-CG1 4.28Å; V219-V284 HydrophobicContact CG1-CB 3.88Å; V219-V284 HydrophobicContact CG1-CG1 3.78Å; V222-V284 WeakPolarHBondContact O-CG1 3.45Å; C223-V284 WeakPolarHBondContact O-CG1 3.32Å; C223-V284 PolarHBondContact O-N 2.89Å; C223-V284 VanDerWaalsContact O-N 3.14Å; V284-E318 WeakPolarHBondContact CG2-OE1 2.94Å; V284-E318 PolarHBondContact N-OE2 3.4Å |
| 285 | N | 85.1 | Confident | 93.4 | Very high | 142 Ų | 142 | 47.7 Ų | 47.7 | 76% | 0.759 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0.2 | 176.3 | -60.9 | -63.2 | 0 | 0 | 0 | 113.1 | G283 | G283-N285 PolarHBondContact O-N 2.94Å; G283-N285 VanDerWaalsContact O-N 3.13Å |
| 286 | S | 84.5 | Confident | 93.3 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | trans | -94.5 | 141.2 | 179.9 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | W282 G283 | W282-S286 PolarHBondContact NE1-O 3.29Å; G283-S286 PolarHBondContact N-OG 3.32Å; G283-S286 WeakPolarHBondContact O-CB 3.38Å; G283-S286 PolarHBondContact O-N 2.86Å | ||
| 287 | L | 82.6 | Confident | 93.2 | Very high | 162 Ų | 162 | 45.9 Ų | 45.9 | 85% | 0.848 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -98.7 | -2.1 | 173.3 | -63.8 | 176.9 | 0 | 0 | 0 | 112.6 | W282 | W282-L287 VanDerWaalsContact CH2-O 3.31Å; W282-L287 WeakPolarHBondContact CH2-O 3.4Å |
| 288 | D | 90 | Very high | 93.1 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -154.6 | 164.5 | -176.5 | -157.3 | 7.5 | 0 | 0 | 0 | 111.1 | H209 W282 | H209-D288 IonicContact NE2-OD1 3.84Å; W282-D288 VanDerWaalsContact CZ3-CA 3.49Å |
| 289 | W | 94.3 | Very high | 93 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | trans | -69.3 | 137.3 | 174.5 | -71.5 | 99.2 | 0 | 0 | 0 | 111.3 | F100 L212 P213 F215 A225 W280 Y281 W282 | F100-W289 AromaticContact CD1-CH2 3.95Å; F100-W289 HydrophobicContact CD1-CH2 3.95Å; F100-W289 AromaticContact CE1-CH2 3.57Å; F100-W289 HydrophobicContact CE1-CH2 3.57Å; F100-W289 AromaticContact CE1-CZ2 3.78Å; F100-W289 HydrophobicContact CE1-CZ2 3.78Å; L212-W289 HydrophobicContact CB-CD2 4.32Å; L212-W289 HydrophobicContact CB-CG 4.33Å; L212-W289 HydrophobicContact CB-CZ2 4.24Å; L212-W289 HydrophobicContact CD1-CB 4.48Å; L212-W289 HydrophobicContact CD1-CD2 3.66Å; L212-W289 HydrophobicContact CD1-CE3 4.09Å; L212-W289 HydrophobicContact CD1-CG 3.84Å; L212-W289 HydrophobicContact CD1-CZ2 4.41Å; P213-W289 PolarHBondContact O-NE1 3.46Å; F215-W289 AromaticContact CD2-CH2 3.92Å; F215-W289 HydrophobicContact CD2-CH2 3.92Å; F215-W289 AromaticContact CD2-CZ2 3.65Å; F215-W289 HydrophobicContact CD2-CZ2 3.65Å; F215-W289 AromaticContact CE2-CH2 3.45Å; F215-W289 HydrophobicContact CE2-CH2 3.45Å; F215-W289 VanDerWaalsContact CE2-CH2 3.45Å; F215-W289 AromaticContact CE2-CZ2 3.37Å; F215-W289 HydrophobicContact CE2-CZ2 3.37Å; F215-W289 HydrophobicContact CZ-CH2 4.37Å; F215-W289 HydrophobicContact CZ-CZ2 4.08Å; A225-W289 HydrophobicContact CB-CH2 4.46Å; W280-W289 HydrophobicContact CB-CD2 4.29Å; W280-W289 HydrophobicContact CB-CE3 3.66Å; W280-W289 HydrophobicContact CB-CZ3 4.2Å; W280-W289 HydrophobicContact CE3-CB 3.9Å; W280-W289 WeakPolarHBondContact O-CZ3 3.43Å; Y281-W289 VanDerWaalsContact C-CE3 3.48Å; W282-W289 HydrophobicContact CB-CD2 4.17Å; W282-W289 HydrophobicContact CB-CE3 3.8Å; W282-W289 HydrophobicContact CB-CH2 4.07Å; W282-W289 HydrophobicContact CB-CZ2 4.39Å; W282-W289 HydrophobicContact CB-CZ3 3.75Å; W282-W289 HydrophobicContact CE3-CB 4.41Å; W282-W289 AromaticContact CE3-CD1 3.48Å; W282-W289 VanDerWaalsContact CE3-CD1 3.48Å; W282-W289 AromaticContact CE3-CD2 3.73Å; W282-W289 HydrophobicContact CE3-CD2 3.73Å; W282-W289 AromaticContact CE3-CE2 3.62Å; W282-W289 HydrophobicContact CE3-CE3 4.5Å; W282-W289 AromaticContact CE3-CG 3.65Å; W282-W289 HydrophobicContact CE3-CG 3.65Å; W282-W289 HydrophobicContact CE3-CZ2 4.35Å; W282-W289 AromaticContact CE3-NE1 3.41Å; W282-W289 AromaticContact CZ3-CD1 3.56Å; W282-W289 HydrophobicContact CZ3-CG 4.13Å; W282-W289 AromaticContact CZ3-NE1 3.64Å | ||
| 290 | Q | 94.1 | Very high | 92.8 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.453 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.3 | 178 | -62.5 | -176.9 | -16.4 | 0 | 0 | 110.1 | W280 Y281 V292 | W280-Q290 WeakPolarHBondContact CA-O 3.45Å; Y281-Q290 PolarHBondContact N-O 3.45Å; Y281-Q290 PolarHBondContact O-N 2.99Å; Q290-V292 HydrophobicContact CB-CG2 4.27Å; Q290-V292 PolarHBondContact O-N 2.86Å |
| 291 | S | 94.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 39 Ų | 39 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.7 | 172.4 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | V279 | V279-S291 WeakPolarHBondContact O-CA 3.36Å |
| 292 | V | 95 | Very high | 91.9 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.4 | -177 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | V279 Y281 Q290 V294 Q296 L297 | V279-V292 VanDerWaalsContact CG2-O 3.25Å; V279-V292 WeakPolarHBondContact CG2-O 3.48Å; V279-V292 PolarHBondContact N-O 2.93Å; V279-V292 PolarHBondContact O-N 2.95Å; Y281-V292 HydrophobicContact CD1-CG2 4.49Å; Y281-V292 HydrophobicContact CG-CG2 4.44Å; Q290-V292 HydrophobicContact CB-CG2 4.27Å; Q290-V292 PolarHBondContact O-N 2.86Å; V292-V294 PolarHBondContact O-N 3.47Å; V292-Q296 HydrophobicContact CG1-CB 4.08Å; V292-L297 HydrophobicContact CB-CD1 4.14Å; V292-L297 HydrophobicContact CB-CG 4.46Å; V292-L297 HydrophobicContact CG1-CD1 4.16Å; V292-L297 HydrophobicContact CG1-CD2 4.05Å; V292-L297 HydrophobicContact CG1-CG 3.93Å |
| 293 | P | 96.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 131 | 172.3 | -23 | 34.1 | 0 | 0 | 0 | 111.6 | Q276 N295 Q296 | Q276-P293 VanDerWaalsContact OE1-CB 3.28Å; P293-N295 VanDerWaalsContact C-N 3.25Å; P293-N295 PolarHBondContact O-N 3.47Å; P293-N295 VanDerWaalsContact O-N 3.16Å; P293-Q296 HydrophobicContact CB-CG 4.28Å; P293-Q296 WeakPolarHBondContact O-CB 3.43Å; P293-Q296 PolarHBondContact O-N 3.08Å |
| 294 | V | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -35.1 | -172.4 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | L228 V232 D275 T277 V279 V292 Q296 L297 I298 | L228-V294 HydrophobicContact CD2-CG2 4.25Å; V232-V294 HydrophobicContact CG1-CG1 4.43Å; V232-V294 HydrophobicContact CG1-CG2 3.84Å; V232-V294 HydrophobicContact CG2-CG1 4.31Å; D275-V294 HydrophobicContact CB-CG1 3.63Å; D275-V294 VanDerWaalsContact CG-CG1 3.45Å; D275-V294 WeakPolarHBondContact O-CG1 3.27Å; T277-V294 PolarHBondContact O-N 2.92Å; V279-V294 HydrophobicContact CG1-CB 3.98Å; V279-V294 HydrophobicContact CG1-CG2 4.46Å; V279-V294 HydrophobicContact CG2-CB 3.99Å; V279-V294 HydrophobicContact CG2-CG2 4.42Å; V292-V294 PolarHBondContact O-N 3.47Å; V294-Q296 PolarHBondContact O-N 2.89Å; V294-Q296 VanDerWaalsContact O-N 3.15Å; V294-L297 WeakPolarHBondContact O-CA 3.36Å; V294-L297 PolarHBondContact O-N 3.44Å; V294-I298 HydrophobicContact CG2-CB 4.13Å; V294-I298 HydrophobicContact CG2-CD1 4.12Å; V294-I298 HydrophobicContact CG2-CG1 4.31Å; V294-I298 PolarHBondContact O-N 3.24Å |
| 295 | N | 95.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.4 | -9 | 179.3 | 71.2 | -17.9 | 0 | 0 | 0 | 115.2 | D273 D275 Q276 P293 R305 | D273-N295 WeakPolarHBondContact O-CB 3.33Å; D273-N295 PolarHBondContact O-ND2 3.17Å; D275-N295 WeakPolarHBondContact O-CB 3.13Å; D275-N295 VanDerWaalsContact O-CG 3.23Å; D275-N295 PolarHBondContact O-N 3.13Å; D275-N295 PolarHBondContact O-OD1 2.97Å; Q276-N295 PolarHBondContact NE2-ND2 3.37Å; Q276-N295 PolarHBondContact NE2-OD1 3.49Å; Q276-N295 PolarHBondContact OE1-OD1 3.07Å; P293-N295 VanDerWaalsContact C-N 3.25Å; P293-N295 PolarHBondContact O-N 3.47Å; P293-N295 VanDerWaalsContact O-N 3.16Å; N295-R305 PolarHBondContact O-NH1 2.99Å; N295-R305 PolarHBondContact O-NH2 3.09Å |
| 296 | Q | 94.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 43% | 0.425 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -80.7 | -21 | 168 | -60 | -174.7 | 18.5 | 0 | 0 | 111.9 | V292 P293 V294 | V292-Q296 HydrophobicContact CG1-CB 4.08Å; P293-Q296 HydrophobicContact CB-CG 4.28Å; P293-Q296 WeakPolarHBondContact O-CB 3.43Å; P293-Q296 PolarHBondContact O-N 3.08Å; V294-Q296 PolarHBondContact O-N 2.89Å; V294-Q296 VanDerWaalsContact O-N 3.15Å |
| 297 | L | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -105.4 | -40.9 | -176.1 | -57.7 | 177.6 | 0 | 0 | 0 | 112.5 | W115 V226 V279 Y281 V292 V294 V319 P323 S324 | W115-L297 HydrophobicContact CZ2-CB 4.12Å; W115-L297 PolarHBondContact NE1-O 3.46Å; V226-L297 HydrophobicContact CG2-CD1 3.97Å; V279-L297 HydrophobicContact CG2-CD1 3.85Å; Y281-L297 HydrophobicContact CD2-CD1 3.81Å; Y281-L297 HydrophobicContact CD2-CD2 3.66Å; Y281-L297 HydrophobicContact CD2-CG 4.39Å; Y281-L297 HydrophobicContact CE2-CD2 3.87Å; Y281-L297 HydrophobicContact CG-CD1 4.2Å; Y281-L297 HydrophobicContact CG-CD2 4.27Å; V292-L297 HydrophobicContact CB-CD1 4.14Å; V292-L297 HydrophobicContact CB-CG 4.46Å; V292-L297 HydrophobicContact CG1-CD1 4.16Å; V292-L297 HydrophobicContact CG1-CD2 4.05Å; V292-L297 HydrophobicContact CG1-CG 3.93Å; V294-L297 WeakPolarHBondContact O-CA 3.36Å; V294-L297 PolarHBondContact O-N 3.44Å; L297-V319 HydrophobicContact CD2-CG2 4.31Å; L297-P323 CarbonylContact O-C 3.53Å; L297-P323 VanDerWaalsContact O-CA 3.22Å; L297-P323 WeakPolarHBondContact O-CA 3.32Å; L297-S324 PolarHBondContact O-N 3.08Å |
| 298 | I | 96.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 138.1 | -172.5 | -57.8 | 177.7 | 0 | 0 | 0 | 110.5 | W115 L228 L236 I272 V294 R305 S324 V326 | W115-I298 HydrophobicContact CG-CG1 4.29Å; L228-I298 HydrophobicContact CD1-CD1 3.69Å; L228-I298 HydrophobicContact CD2-CD1 3.9Å; L228-I298 HydrophobicContact CG-CD1 4.43Å; L236-I298 HydrophobicContact CD2-CG2 3.87Å; I272-I298 HydrophobicContact CG1-CG2 4.42Å; V294-I298 HydrophobicContact CG2-CB 4.13Å; V294-I298 HydrophobicContact CG2-CD1 4.12Å; V294-I298 HydrophobicContact CG2-CG1 4.31Å; V294-I298 PolarHBondContact O-N 3.24Å; I298-R305 PolarHBondContact O-NH2 3.46Å; I298-R305 VanDerWaalsContact O-NH2 3.16Å; I298-S324 VanDerWaalsContact CA-O 3.3Å; I298-S324 WeakPolarHBondContact CA-O 3.36Å; I298-V326 HydrophobicContact CD1-CG2 4.35Å; I298-V326 HydrophobicContact CG2-CG2 4.05Å |
| 299 | C | 94.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | trans | -123.4 | 161.8 | 171 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | D273 R305 P323 S324 P325 | D273-C299 VanDerWaalsContact OD1-CA 3.26Å; D273-C299 WeakPolarHBondContact OD1-CA 3.24Å; D273-C299 VanDerWaalsContact OD1-CB 3.31Å; D273-C299 WeakPolarHBondContact OD1-CB 3.4Å; C299-R305 HydrophobicContact CB-CB 4.33Å; C299-P323 HydrophobicContact CB-CB 3.98Å; C299-P323 HydrophobicContact CB-CG 4.11Å; C299-S324 PolarHBondContact N-O 3.06Å; C299-S324 VanDerWaalsContact N-O 3.15Å; C299-S324 VanDerWaalsContact SG-C 3.53Å; C299-P325 WeakPolarHBondContact O-CA 3.4Å | ||
| 300 | G | 92.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -70.5 | 164.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D239 I272 D273 T302 S303 | D239-G300 VanDerWaalsContact OD2-CA 3.26Å; D239-G300 WeakPolarHBondContact OD2-CA 3.38Å; I272-G300 VanDerWaalsContact CG2-CA 3.4Å; D273-G300 PolarHBondContact OD1-N 3.2Å; G300-T302 PolarHBondContact O-N 2.84Å; G300-S303 WeakPolarHBondContact O-CB 3.09Å; G300-S303 PolarHBondContact O-N 2.95Å; G300-S303 VanDerWaalsContact O-N 3.1Å | ||
| 301 | L | 87.6 | Confident | 81.3 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | -173.2 | -74 | 173.4 | 0 | 0 | 0 | 114.9 | R170 D239 W240 F243 V326 L328 L331 | R170-L301 PolarHBondContact NH1-O 3.03Å; D239-L301 PolarHBondContact OD2-N 3.45Å; W240-L301 HydrophobicContact CE3-CD1 4.2Å; F243-L301 HydrophobicContact CB-CD1 3.75Å; F243-L301 HydrophobicContact CD1-CD1 4.22Å; F243-L301 HydrophobicContact CD2-CB 4.27Å; F243-L301 HydrophobicContact CD2-CD1 4.18Å; F243-L301 HydrophobicContact CG-CD1 3.77Å; L301-V326 WeakPolarHBondContact CD2-O 3.49Å; L301-L328 HydrophobicContact CD1-CD2 3.43Å; L301-L328 VanDerWaalsContact CD1-CD2 3.43Å; L301-L328 HydrophobicContact CD2-CD2 3.46Å; L301-L328 VanDerWaalsContact CD2-CD2 3.46Å; L301-L328 HydrophobicContact CD2-CG 4.46Å; L301-L328 HydrophobicContact CG-CD2 4.03Å; L301-L331 HydrophobicContact CD1-CD1 3.58Å; L301-L331 HydrophobicContact CD2-CD1 3.59Å; L301-L331 HydrophobicContact CG-CD1 3.63Å |
| 302 | T | 84.8 | Confident | 78.7 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 13.4 | -177.9 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | F243 M266 P267 T269 G300 | F243-T302 HydrophobicContact CD2-CG2 3.92Å; F243-T302 HydrophobicContact CE2-CG2 3.99Å; M266-T302 HydrophobicContact CB-CG2 3.67Å; M266-T302 HydrophobicContact CG-CG2 3.75Å; M266-T302 HydrophobicContact SD-CG2 3.81Å; P267-T302 PolarHBondContact O-OG1 2.86Å; T269-T302 WeakPolarHBondContact CG2-OG1 2.99Å; G300-T302 PolarHBondContact O-N 2.84Å |
| 303 | S | 86.7 | Confident | 76.3 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | trans | -66.6 | 134.8 | -178.3 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | D273 G300 R305 N306 | D273-S303 VanDerWaalsContact CG-OG 3.27Å; D273-S303 PolarHBondContact OD1-OG 3.16Å; D273-S303 VanDerWaalsContact OD2-CB 3.22Å; D273-S303 WeakPolarHBondContact OD2-CB 3.45Å; D273-S303 PolarHBondContact OD2-OG 3.11Å; G300-S303 WeakPolarHBondContact O-CB 3.09Å; G300-S303 PolarHBondContact O-N 2.95Å; G300-S303 VanDerWaalsContact O-N 3.1Å; S303-R305 PolarHBondContact O-N 2.94Å; S303-R305 WeakPolarHBondContact OG-CB 3.4Å; S303-R305 PolarHBondContact OG-N 2.95Å; S303-N306 WeakPolarHBondContact O-CB 3.47Å; S303-N306 PolarHBondContact O-N 2.99Å | ||
| 304 | S | 82.2 | Confident | 73.8 | Confident | 107 Ų | 107 | 53.8 Ų | 53.8 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9 | 170 | 65.3 | 0 | 0 | 0 | 0 | 113.2 | N306 | S304-N306 VanDerWaalsContact C-N 3.31Š|
| 305 | R | 81.8 | Confident | 71.4 | Confident | 78 Ų | 78 | 57.1 Ų | 57.1 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.1 | 177 | -54 | -174.7 | -56.5 | 150.3 | 13.5 | 112.9 | D273 N295 I298 C299 S303 P307 P323 | D273-R305 PolarHBondContact O-NH1 3.34Å; D273-R305 IonicContact OD1-CZ 3.82Å; D273-R305 IonicContact OD1-NE 3.86Å; D273-R305 PolarHBondContact OD1-NE 3.25Å; D273-R305 IonicContact OD1-NH2 3.48Å; D273-R305 PolarHBondContact OD1-NH2 3.49Å; D273-R305 IonicContact OD2-NE 2.83Å; N295-R305 PolarHBondContact O-NH1 2.99Å; N295-R305 PolarHBondContact O-NH2 3.09Å; I298-R305 PolarHBondContact O-NH2 3.46Å; I298-R305 VanDerWaalsContact O-NH2 3.16Å; C299-R305 HydrophobicContact CB-CB 4.33Å; S303-R305 PolarHBondContact O-N 2.94Å; S303-R305 WeakPolarHBondContact OG-CB 3.4Å; S303-R305 PolarHBondContact OG-N 2.95Å; R305-P307 WeakPolarHBondContact O-CD 3.23Å; R305-P323 HydrophobicContact CB-CG 4.02Å |
| 306 | N | 76.6 | Confident | 69.1 | Low | 68 Ų | 68 | 66.3 Ų | 66.3 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -58.9 | 122.1 | 177.4 | -173.5 | 3.1 | 0 | 0 | 0 | 109.5 | S303 S304 T308 P325 | S303-N306 WeakPolarHBondContact O-CB 3.47Å; S303-N306 PolarHBondContact O-N 2.99Å; S304-N306 VanDerWaalsContact C-N 3.31Å; N306-T308 PolarHBondContact O-N 2.9Å; N306-P325 VanDerWaalsContact OD1-CD 3.24Å; N306-P325 WeakPolarHBondContact OD1-CD 3.45Å |
| 307 | P | 67 | Low | 67.2 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 20% | 0.195 | 39% | 0.394 | C | S | . | . | trans | -64.4 | 111.7 | -173.8 | -24.6 | 37.8 | 0 | 0 | 0 | 109.3 | W106 R305 I309 N321 P323 | W106-P307 HydrophobicContact CH2-CB 3.6Å; W106-P307 HydrophobicContact CH2-CG 3.67Å; W106-P307 HydrophobicContact CZ2-CB 4.48Å; W106-P307 HydrophobicContact CZ2-CG 4.35Å; W106-P307 HydrophobicContact CZ3-CB 4.11Å; R305-P307 WeakPolarHBondContact O-CD 3.23Å; P307-I309 PolarHBondContact O-N 2.64Å; P307-N321 VanDerWaalsContact CG-O 3.31Å; P307-N321 WeakPolarHBondContact CG-O 3.32Å; P307-P323 WeakPolarHBondContact CD-O 3.31Å; P307-P323 WeakPolarHBondContact CG-O 3.29Å | ||
| 308 | T | 57.4 | Low | 65.4 | Low | 134 Ų | 134 | 66 Ų | 66 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | trans | -64.1 | 104.3 | 164 | 47.8 | 0 | 0 | 0 | 0 | 106.3 | N306 S310 | N306-T308 PolarHBondContact O-N 2.9Å; T308-S310 PolarHBondContact O-N 3.35Å | ||
| 309 | I | 50.6 | Low | 63.7 | Low | 81 Ų | 81 | 68.3 Ų | 68.3 | 42% | 0.415 | 41% | 0.414 | S | S | . | . | trans | -50.1 | 104.1 | -178.6 | -57.8 | 146.7 | 0 | 0 | 0 | 108.1 | W106 P112 P307 P311 | W106-I309 HydrophobicContact CE3-CG1 4.32Å; W106-I309 HydrophobicContact CZ3-CG1 4.12Å; P112-I309 HydrophobicContact CG-CD1 3.34Å; P112-I309 HydrophobicContact CG-CG1 4.05Å; P307-I309 PolarHBondContact O-N 2.64Å; I309-P311 WeakPolarHBondContact O-CD 3.44Å | ||
| 310 | S | 41.8 | Very low | 62.1 | Low | 77 Ų | 77 | 71.6 Ų | 71.6 | 54% | 0.538 | 44% | 0.441 | S | S | . | . | trans | -89.2 | 112 | 164.6 | -163.8 | 0 | 0 | 0 | 0 | 106.1 | T308 S312 A313 | T308-S310 PolarHBondContact O-N 3.35Å; S310-S312 PolarHBondContact O-N 3.48Å; S310-A313 PolarHBondContact O-N 3.47Å | ||
| 311 | P | 39.6 | Very low | 61.3 | Low | 129 Ų | 129 | 73.4 Ų | 73.4 | 84% | 0.838 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -7.8 | -171.9 | -22 | 32.4 | 0 | 0 | 0 | 115 | I309 | I309-P311 WeakPolarHBondContact O-CD 3.44Š|
| 312 | S | 38.7 | Very low | 61.1 | Low | 106 Ų | 106 | 73.5 Ų | 73.5 | 74% | 0.741 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 0.6 | -169 | 62.8 | 0 | 0 | 0 | 0 | 115.1 | S310 | S310-S312 PolarHBondContact O-N 3.48Š|
| 313 | A | 44.4 | Very low | 61.5 | Low | 71 Ų | 71 | 73.7 Ų | 73.7 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | trans | -92.3 | 111.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S310 | S310-A313 PolarHBondContact O-N 3.47Š| ||
| 314 | S | 45.9 | Very low | 61.8 | Low | 101 Ų | 101 | 73.3 Ų | 73.3 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | trans | -65.6 | 127.2 | 163.7 | 45.1 | 0 | 0 | 0 | 0 | 108.9 | K316 | S314-K316 PolarHBondContact O-N 2.83Š| ||
| 315 | P | 46.4 | Very low | 62.4 | Low | 70 Ų | 70 | 68.8 Ų | 68.8 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -59 | 124.1 | 177.2 | -24.5 | 34.2 | 0 | 0 | 0 | 110.5 | ||||
| 316 | K | 47.3 | Very low | 63 | Low | 205 Ų | 205 | 65.2 Ų | 65.2 | 89% | 0.891 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -81.2 | -23.9 | 169.4 | -69.6 | -176.8 | 178.7 | 178.9 | 0 | 112 | S314 | S314-K316 PolarHBondContact O-N 2.83Š|
| 317 | S | 53.9 | Low | 63.8 | Low | 59 Ų | 59 | 62.6 Ų | 62.6 | 41% | 0.413 | 40% | 0.396 | S | S | . | . | trans | -165.6 | 162.3 | 160.7 | 73.5 | 0 | 0 | 0 | 0 | 108.4 | A320 N321 | S317-A320 WeakPolarHBondContact O-CB 3.36Å; S317-A320 PolarHBondContact O-N 3.05Å; S317-A320 WeakPolarHBondContact OG-CB 3.2Å; S317-A320 PolarHBondContact OG-N 3.22Å; S317-N321 PolarHBondContact O-N 2.86Å; S317-N321 PolarHBondContact O-ND2 3.14Å | ||
| 318 | E | 57.8 | Low | 65.1 | Low | 26 Ų | 26 | 61.6 Ų | 61.6 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -72 | -37.2 | -175.5 | -75.2 | 158.3 | 170.7 | 0 | 0 | 113.7 | R103 C223 Y281 V284 A320 N321 | R103-E318 PolarHBondContact NH1-O 3.48Å; C223-E318 HydrophobicContact CB-CG 4.41Å; C223-E318 VanDerWaalsContact CB-OE1 3.3Å; C223-E318 WeakPolarHBondContact CB-OE1 3.49Å; C223-E318 VanDerWaalsContact O-OE1 3.06Å; Y281-E318 PolarHBondContact OH-OE2 3.05Å; V284-E318 WeakPolarHBondContact CG2-OE1 2.94Å; V284-E318 PolarHBondContact N-OE2 3.4Å; E318-A320 PolarHBondContact O-N 2.75Å; E318-N321 WeakPolarHBondContact O-CB 3.4Å; E318-N321 PolarHBondContact O-N 3.3Å |
| 319 | V | 60.1 | Low | 67 | Low | 50 Ų | 50 | 55.3 Ų | 55.3 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -64.5 | -32.8 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | Y281 L297 N321 G322 | Y281-V319 HydrophobicContact CE1-CG2 4Å; L297-V319 HydrophobicContact CD2-CG2 4.31Å; V319-N321 PolarHBondContact O-N 2.81Å; V319-G322 PolarHBondContact O-N 3.06Å |
| 320 | A | 61.5 | Low | 69.2 | Low | 70 Ų | 70 | 51.5 Ų | 51.5 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -67.8 | -14.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S317 E318 G322 | S317-A320 WeakPolarHBondContact O-CB 3.36Å; S317-A320 PolarHBondContact O-N 3.05Å; S317-A320 WeakPolarHBondContact OG-CB 3.2Å; S317-A320 PolarHBondContact OG-N 3.22Å; E318-A320 PolarHBondContact O-N 2.75Å; A320-G322 PolarHBondContact O-N 3.04Å |
| 321 | N | 75.1 | Confident | 71.8 | Confident | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -76.4 | 0.6 | 171.3 | -60.2 | -47.4 | 0 | 0 | 0 | 113 | W106 P307 S317 E318 V319 | W106-N321 HydrophobicContact CZ2-CB 3.6Å; W106-N321 PolarHBondContact NE1-ND2 2.92Å; P307-N321 VanDerWaalsContact CG-O 3.31Å; P307-N321 WeakPolarHBondContact CG-O 3.32Å; S317-N321 PolarHBondContact O-N 2.86Å; S317-N321 PolarHBondContact O-ND2 3.14Å; E318-N321 WeakPolarHBondContact O-CB 3.4Å; E318-N321 PolarHBondContact O-N 3.3Å; V319-N321 PolarHBondContact O-N 2.81Å |
| 322 | G | 84.4 | Confident | 74.5 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | trans | 77.6 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R103 V319 A320 | R103-G322 PolarHBondContact NH2-O 3.02Å; V319-G322 PolarHBondContact O-N 3.06Å; A320-G322 PolarHBondContact O-N 3.04Å | ||
| 323 | P | 92.7 | Very high | 77.4 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | trans | -69 | 153.5 | 179 | 30.3 | -35.4 | 0 | 0 | 0 | 110.7 | L297 C299 R305 P307 | L297-P323 CarbonylContact O-C 3.53Å; L297-P323 VanDerWaalsContact O-CA 3.22Å; L297-P323 WeakPolarHBondContact O-CA 3.32Å; C299-P323 HydrophobicContact CB-CB 3.98Å; C299-P323 HydrophobicContact CB-CG 4.11Å; R305-P323 HydrophobicContact CB-CG 4.02Å; P307-P323 WeakPolarHBondContact CD-O 3.31Å; P307-P323 WeakPolarHBondContact CG-O 3.29Å | ||
| 324 | S | 93.2 | Very high | 79.9 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 155.7 | 175.1 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | R103 G113 L297 I298 C299 | R103-S324 PolarHBondContact NH2-OG 2.81Å; G113-S324 WeakPolarHBondContact O-CB 3.43Å; G113-S324 PolarHBondContact O-OG 3.42Å; L297-S324 PolarHBondContact O-N 3.08Å; I298-S324 VanDerWaalsContact CA-O 3.3Å; I298-S324 WeakPolarHBondContact CA-O 3.36Å; C299-S324 PolarHBondContact N-O 3.06Å; C299-S324 VanDerWaalsContact N-O 3.15Å; C299-S324 VanDerWaalsContact SG-C 3.53Å |
| 325 | P | 93.7 | Very high | 82.3 | Confident | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.078 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 168.3 | 178.7 | 31.3 | -36.3 | 0 | 0 | 0 | 111.5 | V114 W115 C299 N306 | V114-P325 WeakPolarHBondContact CG1-O 3.36Å; W115-P325 PolarHBondContact N-O 3.01Å; C299-P325 WeakPolarHBondContact O-CA 3.4Å; N306-P325 VanDerWaalsContact OD1-CD 3.24Å; N306-P325 WeakPolarHBondContact OD1-CD 3.45Å |
| 326 | V | 95.3 | Very high | 84.7 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -94.7 | 144.1 | 163.4 | 179.5 | 0 | 0 | 0 | 0 | 108 | L101 W115 L236 I298 L301 T330 L331 | L101-V326 HydrophobicContact CD1-CG1 4.24Å; L101-V326 HydrophobicContact CD1-CG2 3.96Å; W115-V326 HydrophobicContact CB-CG2 3.96Å; W115-V326 WeakPolarHBondContact O-CA 3.39Å; L236-V326 HydrophobicContact CD1-CG2 4.35Å; L236-V326 HydrophobicContact CD2-CG2 4.37Å; I298-V326 HydrophobicContact CD1-CG2 4.35Å; I298-V326 HydrophobicContact CG2-CG2 4.05Å; L301-V326 WeakPolarHBondContact CD2-O 3.49Å; V326-T330 HydrophobicContact CG1-CG2 3.3Å; V326-L331 HydrophobicContact CB-CD1 4.48Å; V326-L331 HydrophobicContact CB-CD2 3.84Å; V326-L331 HydrophobicContact CB-CG 4.02Å; V326-L331 HydrophobicContact CG1-CD2 3.81Å; V326-L331 HydrophobicContact CG1-CG 3.86Å |
| 327 | T | 94 | Very high | 87.1 | Confident | 14 Ų | 14 | 18.5 Ų | 18.5 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 152.2 | 179.5 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | Y111 V114 W115 V116 G329 T330 L331 | Y111-T327 HydrophobicContact CD1-CG2 3.69Å; Y111-T327 HydrophobicContact CE1-CG2 3.9Å; Y111-T327 HydrophobicContact CG-CG2 4.18Å; V114-T327 HydrophobicContact CB-CG2 4.43Å; V114-T327 HydrophobicContact CG1-CG2 3.48Å; V114-T327 VanDerWaalsContact CG1-CG2 3.48Å; W115-T327 PolarHBondContact O-N 2.78Å; V116-T327 HydrophobicContact CG1-CG2 3.39Å; T327-G329 VanDerWaalsContact C-N 3.32Å; T327-G329 PolarHBondContact O-N 2.76Å; T327-T330 WeakPolarHBondContact O-CB 3.4Å; T327-T330 PolarHBondContact O-N 2.78Å; T327-T330 VanDerWaalsContact O-N 3.11Å; T327-T330 WeakPolarHBondContact OG1-CB 3.25Å; T327-T330 PolarHBondContact OG1-N 2.7Å; T327-T330 PolarHBondContact OG1-OG1 3.36Å; T327-L331 WeakPolarHBondContact O-CG 3.41Å; T327-L331 PolarHBondContact O-N 3.14Å |
| 328 | L | 94.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 16.3 Ų | 16.3 | 5% | 0.047 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.1 | -43.8 | 178.5 | -58.2 | 175.7 | 0 | 0 | 0 | 112.2 | P59 W163 W240 F243 L301 T330 L331 Y332 | P59-L328 HydrophobicContact CB-CD1 3.63Å; P59-L328 HydrophobicContact CG-CD1 4.11Å; W163-L328 HydrophobicContact CZ2-CB 3.8Å; W240-L328 HydrophobicContact CE3-CB 4.25Å; W240-L328 HydrophobicContact CE3-CD2 3.78Å; W240-L328 HydrophobicContact CH2-CB 4.33Å; W240-L328 HydrophobicContact CZ3-CB 3.7Å; W240-L328 HydrophobicContact CZ3-CD1 4.4Å; W240-L328 HydrophobicContact CZ3-CD2 3.61Å; W240-L328 HydrophobicContact CZ3-CG 4.07Å; F243-L328 HydrophobicContact CD1-CD2 3.96Å; F243-L328 HydrophobicContact CE1-CD1 4.09Å; F243-L328 HydrophobicContact CE1-CD2 3.87Å; F243-L328 HydrophobicContact CZ-CD2 4.44Å; L301-L328 HydrophobicContact CD1-CD2 3.43Å; L301-L328 VanDerWaalsContact CD1-CD2 3.43Å; L301-L328 HydrophobicContact CD2-CD2 3.46Å; L301-L328 VanDerWaalsContact CD2-CD2 3.46Å; L301-L328 HydrophobicContact CD2-CG 4.46Å; L301-L328 HydrophobicContact CG-CD2 4.03Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.87Å; L328-L331 PolarHBondContact O-N 2.82Å; L328-Y332 PolarHBondContact O-N 2.93Å |
| 329 | G | 95.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | W163 Y190 T327 Y332 A333 | W163-G329 VanDerWaalsContact CD2-CA 3.49Å; W163-G329 VanDerWaalsContact CE2-CA 3.43Å; Y190-G329 VanDerWaalsContact CZ-C 3.5Å; T327-G329 VanDerWaalsContact C-N 3.32Å; T327-G329 PolarHBondContact O-N 2.76Å; G329-Y332 PolarHBondContact O-N 3.4Å; G329-A333 WeakPolarHBondContact O-CB 3.29Å; G329-A333 PolarHBondContact O-N 3.17Å |
| 330 | T | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 174 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | L101 P117 Y190 V326 T327 L328 A333 I334 | L101-T330 HydrophobicContact CD2-CG2 3.85Å; P117-T330 WeakPolarHBondContact CD-OG1 3.43Å; P117-T330 HydrophobicContact CG-CG2 3.8Å; Y190-T330 PolarHBondContact OH-N 2.69Å; Y190-T330 VanDerWaalsContact OH-N 3.16Å; V326-T330 HydrophobicContact CG1-CG2 3.3Å; T327-T330 WeakPolarHBondContact O-CB 3.4Å; T327-T330 PolarHBondContact O-N 2.78Å; T327-T330 VanDerWaalsContact O-N 3.11Å; T327-T330 WeakPolarHBondContact OG1-CB 3.25Å; T327-T330 PolarHBondContact OG1-N 2.7Å; T327-T330 PolarHBondContact OG1-OG1 3.36Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.87Å; T330-A333 PolarHBondContact O-N 3.22Å; T330-I334 HydrophobicContact CG2-CD1 3.9Å; T330-I334 HydrophobicContact CG2-CG1 4.42Å; T330-I334 VanDerWaalsContact O-CG1 3.3Å; T330-I334 WeakPolarHBondContact O-CG1 3.27Å; T330-I334 PolarHBondContact O-N 3.33Å |
| 331 | L | 97.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.6 | -66 | 170.7 | 0 | 0 | 0 | 112 | L236 W240 L301 V326 T327 L328 I334 S335 | L236-L331 HydrophobicContact CB-CD2 3.71Å; L236-L331 HydrophobicContact CD2-CD2 4.3Å; L236-L331 HydrophobicContact CG-CD2 4.47Å; W240-L331 HydrophobicContact CB-CB 3.65Å; W240-L331 HydrophobicContact CB-CD1 4.01Å; W240-L331 HydrophobicContact CB-CG 4.35Å; W240-L331 HydrophobicContact CD2-CB 4.24Å; W240-L331 HydrophobicContact CG-CB 3.84Å; L301-L331 HydrophobicContact CD1-CD1 3.58Å; L301-L331 HydrophobicContact CD2-CD1 3.59Å; L301-L331 HydrophobicContact CG-CD1 3.63Å; V326-L331 HydrophobicContact CB-CD1 4.48Å; V326-L331 HydrophobicContact CB-CD2 3.84Å; V326-L331 HydrophobicContact CB-CG 4.02Å; V326-L331 HydrophobicContact CG1-CD2 3.81Å; V326-L331 HydrophobicContact CG1-CG 3.86Å; T327-L331 WeakPolarHBondContact O-CG 3.41Å; T327-L331 PolarHBondContact O-N 3.14Å; L328-L331 PolarHBondContact O-N 2.82Å; L331-I334 PolarHBondContact O-N 2.96Å; L331-S335 PolarHBondContact O-N 3.16Å |
| 332 | Y | 96.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 170.5 | 174.5 | -109.4 | 0 | 0 | 0 | 111.4 | E28 P55 C57 C161 W163 W240 L328 G329 I334 S335 H336 | E28-Y332 PolarHBondContact OE1-OH 3.45Å; E28-Y332 WeakPolarHBondContact OE2-CE2 3.31Å; P55-Y332 WeakPolarHBondContact CB-OH 3.4Å; C57-Y332 HydrophobicContact CB-CD1 4.46Å; C57-Y332 HydrophobicContact CB-CD2 4.28Å; C57-Y332 HydrophobicContact CB-CE1 3.86Å; C57-Y332 HydrophobicContact CB-CE2 3.69Å; C57-Y332 VanDerWaalsContact CB-CZ 3.44Å; C161-Y332 HydrophobicContact CB-CD1 4.34Å; C161-Y332 HydrophobicContact CB-CE1 3.65Å; W163-Y332 HydrophobicContact CD2-CD1 4.45Å; W163-Y332 AromaticContact CE3-CD1 3.45Å; W163-Y332 HydrophobicContact CE3-CD1 3.45Å; W163-Y332 VanDerWaalsContact CE3-CD1 3.45Å; W163-Y332 HydrophobicContact CE3-CD2 4.49Å; W163-Y332 HydrophobicContact CE3-CE1 4.05Å; W163-Y332 AromaticContact CE3-CG 3.69Å; W163-Y332 HydrophobicContact CE3-CG 3.69Å; W163-Y332 AromaticContact CZ3-CD1 3.91Å; W163-Y332 HydrophobicContact CZ3-CD1 3.91Å; W163-Y332 HydrophobicContact CZ3-CD2 4.13Å; W163-Y332 AromaticContact CZ3-CG 3.66Å; W163-Y332 HydrophobicContact CZ3-CG 3.66Å; W240-Y332 HydrophobicContact CZ2-CD2 4.35Å; L328-Y332 PolarHBondContact O-N 2.93Å; G329-Y332 PolarHBondContact O-N 3.4Å; Y332-I334 PolarHBondContact O-N 3.32Å; Y332-S335 WeakPolarHBondContact O-CB 3.39Å; Y332-S335 PolarHBondContact O-N 3.25Å; Y332-S335 VanDerWaalsContact O-N 3.12Å; Y332-S335 PolarHBondContact O-OG 3.43Å; Y332-H336 AromaticContact CE1-CD2 3.9Å; Y332-H336 AromaticContact CE1-NE2 4Å; Y332-H336 AromaticContact CE2-CD2 3.56Å; Y332-H336 AromaticContact CE2-NE2 3.3Å; Y332-H336 VanDerWaalsContact CE2-NE2 3.3Å; Y332-H336 WeakPolarHBondContact CE2-NE2 3.49Å; Y332-H336 AromaticContact CZ-CD2 3.49Å; Y332-H336 VanDerWaalsContact CZ-CD2 3.49Å; Y332-H336 AromaticContact CZ-NE2 3.17Å; Y332-H336 PolarHBondContact O-N 3.48Å; Y332-H336 VanDerWaalsContact O-N 3.17Å; Y332-H336 PolarHBondContact OH-NE2 2.53Å |
| 333 | A | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L90 L160 Y190 G329 T330 S335 H336 W337 | L90-A333 HydrophobicContact CD1-CB 3.74Å; L160-A333 HydrophobicContact CD2-CB 4.31Å; L160-A333 WeakPolarHBondContact CD2-O 3.44Å; Y190-A333 HydrophobicContact CD1-CB 3.5Å; Y190-A333 HydrophobicContact CD2-CB 3.94Å; Y190-A333 HydrophobicContact CE1-CB 3.96Å; Y190-A333 HydrophobicContact CE2-CB 4.34Å; Y190-A333 HydrophobicContact CG-CB 3.49Å; Y190-A333 VanDerWaalsContact CG-CB 3.49Å; G329-A333 WeakPolarHBondContact O-CB 3.29Å; G329-A333 PolarHBondContact O-N 3.17Å; T330-A333 PolarHBondContact O-N 3.22Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.23Å; A333-H336 PolarHBondContact O-N 3.41Å; A333-W337 PolarHBondContact O-N 3.03Å |
| 334 | I | 97.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -40.6 | 173.7 | -72.3 | 165.5 | 0 | 0 | 0 | 110.6 | L90 L233 T330 L331 Y332 H336 W337 L338 | L90-I334 HydrophobicContact CD2-CG1 4.11Å; L233-I334 HydrophobicContact CB-CG2 3.98Å; L233-I334 HydrophobicContact CD2-CD1 4Å; L233-I334 HydrophobicContact CD2-CG1 4.37Å; L233-I334 HydrophobicContact CD2-CG2 4.03Å; T330-I334 HydrophobicContact CG2-CD1 3.9Å; T330-I334 HydrophobicContact CG2-CG1 4.42Å; T330-I334 VanDerWaalsContact O-CG1 3.3Å; T330-I334 WeakPolarHBondContact O-CG1 3.27Å; T330-I334 PolarHBondContact O-N 3.33Å; L331-I334 PolarHBondContact O-N 2.96Å; Y332-I334 PolarHBondContact O-N 3.32Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 2.7Å; I334-W337 PolarHBondContact O-N 2.6Å; I334-L338 HydrophobicContact CG2-CD1 3.8Å; I334-L338 HydrophobicContact CG2-CG 4.18Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.24Å; I334-L338 WeakPolarHBondContact O-CG 3.39Å; I334-L338 PolarHBondContact O-N 2.88Å |
| 335 | S | 96.6 | Very high | 89 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 178.5 | 81.5 | 0 | 0 | 0 | 0 | 112.9 | S237 L331 Y332 A333 S339 | S237-S335 WeakPolarHBondContact OG-CB 3.37Å; L331-S335 PolarHBondContact O-N 3.16Å; Y332-S335 WeakPolarHBondContact O-CB 3.39Å; Y332-S335 PolarHBondContact O-N 3.25Å; Y332-S335 VanDerWaalsContact O-N 3.12Å; Y332-S335 PolarHBondContact O-OG 3.43Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.23Å; S335-S339 PolarHBondContact O-N 2.75Å |
| 336 | H | 96.3 | Very high | 88.7 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.2 | -44 | 173 | -84.8 | -83.8 | 0 | 0 | 0 | 111.5 | E28 L160 Y332 A333 I334 L338 S339 L340 | E28-H336 IonicContact OE1-CE1 3.99Å; E28-H336 PolarHBondContact OE1-CE1 3.34Å; E28-H336 IonicContact OE1-NE2 3.74Å; E28-H336 PolarHBondContact OE1-NE2 3.24Å; L160-H336 HydrophobicContact CD1-CB 3.86Å; L160-H336 HydrophobicContact CD2-CB 4.33Å; L160-H336 HydrophobicContact CG-CB 3.91Å; Y332-H336 AromaticContact CE1-CD2 3.9Å; Y332-H336 AromaticContact CE1-NE2 4Å; Y332-H336 AromaticContact CE2-CD2 3.56Å; Y332-H336 AromaticContact CE2-NE2 3.3Å; Y332-H336 VanDerWaalsContact CE2-NE2 3.3Å; Y332-H336 WeakPolarHBondContact CE2-NE2 3.49Å; Y332-H336 AromaticContact CZ-CD2 3.49Å; Y332-H336 VanDerWaalsContact CZ-CD2 3.49Å; Y332-H336 AromaticContact CZ-NE2 3.17Å; Y332-H336 PolarHBondContact O-N 3.48Å; Y332-H336 VanDerWaalsContact O-N 3.17Å; Y332-H336 PolarHBondContact OH-NE2 2.53Å; A333-H336 PolarHBondContact O-N 3.41Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 2.7Å; H336-L338 PolarHBondContact O-N 2.67Å; H336-S339 WeakPolarHBondContact O-CB 3.2Å; H336-S339 PolarHBondContact O-N 2.83Å; H336-S339 VanDerWaalsContact O-N 3.11Å; H336-S339 PolarHBondContact O-OG 2.88Å; H336-L340 PolarHBondContact O-N 3.22Å |
| 337 | W | 96.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.011 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.1 | 179.8 | 87.7 | 0 | 0 | 0 | 112.3 | L90 H92 V99 L160 L233 A333 I334 S339 L340 T341 | L90-W337 HydrophobicContact CD1-CB 4.05Å; H92-W337 HydrophobicContact CB-CZ2 4.3Å; H92-W337 AromaticContact CD2-NE1 3.44Å; H92-W337 PolarHBondContact CD2-NE1 3.42Å; H92-W337 AromaticContact CG-NE1 3.93Å; H92-W337 AromaticContact NE2-NE1 3.69Å; V99-W337 HydrophobicContact CG1-CD2 3.78Å; V99-W337 HydrophobicContact CG1-CE3 3.99Å; V99-W337 HydrophobicContact CG1-CG 4.44Å; V99-W337 HydrophobicContact CG1-CH2 3.94Å; V99-W337 HydrophobicContact CG1-CZ2 3.71Å; V99-W337 HydrophobicContact CG1-CZ3 4.06Å; L160-W337 HydrophobicContact CD2-CB 3.97Å; L233-W337 HydrophobicContact CD1-CE3 4.22Å; L233-W337 HydrophobicContact CD1-CH2 4.34Å; L233-W337 HydrophobicContact CD1-CZ3 3.68Å; A333-W337 PolarHBondContact O-N 3.03Å; I334-W337 PolarHBondContact O-N 2.6Å; W337-S339 PolarHBondContact O-N 2.65Å; W337-L340 PolarHBondContact O-N 2.69Å; W337-T341 HydrophobicContact CD2-CG2 4.35Å; W337-T341 HydrophobicContact CZ2-CG2 4.07Å; W337-T341 PolarHBondContact O-N 2.84Å; W337-T341 PolarHBondContact O-OG1 3.34Å |
| 338 | L | 96.5 | Very high | 88 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 176.7 | -74.8 | 168.7 | 0 | 0 | 0 | 112.2 | R230 L233 I334 H336 T341 | R230-L338 HydrophobicContact CG-CD2 3.86Å; R230-L338 PolarHBondContact NH1-O 2.81Å; L233-L338 HydrophobicContact CB-CD1 4.29Å; L233-L338 HydrophobicContact CB-CD2 4.05Å; L233-L338 HydrophobicContact CB-CG 4.5Å; I334-L338 HydrophobicContact CG2-CD1 3.8Å; I334-L338 HydrophobicContact CG2-CG 4.18Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 VanDerWaalsContact O-CG 3.24Å; I334-L338 WeakPolarHBondContact O-CG 3.39Å; I334-L338 PolarHBondContact O-N 2.88Å; H336-L338 PolarHBondContact O-N 2.67Å; L338-T341 PolarHBondContact O-OG1 3.32Å |
| 339 | S | 93.2 | Very high | 87.6 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 51% | 0.51 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.6 | -35.4 | 179.1 | 79.9 | 0 | 0 | 0 | 0 | 113.4 | S335 H336 W337 T341 S342 | S335-S339 PolarHBondContact O-N 2.75Å; H336-S339 WeakPolarHBondContact O-CB 3.2Å; H336-S339 PolarHBondContact O-N 2.83Å; H336-S339 VanDerWaalsContact O-N 3.11Å; H336-S339 PolarHBondContact O-OG 2.88Å; W337-S339 PolarHBondContact O-N 2.65Å; S339-T341 VanDerWaalsContact C-N 3.34Å; S339-S342 PolarHBondContact O-OG 3.48Å |
| 340 | L | 86.5 | Confident | 87 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 64% | 0.639 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -74 | -26.3 | 179.9 | -68 | -177.9 | 0 | 0 | 0 | 113.2 | L160 H336 W337 | L160-L340 HydrophobicContact CD1-CD1 3.31Å; L160-L340 HydrophobicContact CD1-CG 4.23Å; H336-L340 PolarHBondContact O-N 3.22Å; W337-L340 PolarHBondContact O-N 2.69Å |
| 341 | T | 67.2 | Low | 86.2 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 27.5 | -168.5 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | R230 W337 L338 S339 I343 | R230-T341 PolarHBondContact NH1-OG1 3.2Å; R230-T341 PolarHBondContact NH2-O 2.99Å; R230-T341 PolarHBondContact NH2-OG1 2.93Å; W337-T341 HydrophobicContact CD2-CG2 4.35Å; W337-T341 HydrophobicContact CZ2-CG2 4.07Å; W337-T341 PolarHBondContact O-N 2.84Å; W337-T341 PolarHBondContact O-OG1 3.34Å; L338-T341 PolarHBondContact O-OG1 3.32Å; S339-T341 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.01Å |
| 342 | S | 53.6 | Low | 85.3 | Confident | 97 Ų | 97 | 50.8 Ų | 50.8 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | trans | -62.8 | 100.5 | 170.3 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | S339 | S339-S342 PolarHBondContact O-OG 3.48Š| ||
| 343 | I | 44.1 | Very low | 84.2 | Confident | 204 Ų | 204 | 55.2 Ų | 55.2 | 100% | 1.046 | 32% | 0.319 | S | S | * | . | trans | -63.9 | 0 | 174.6 | -60 | 175.4 | 0 | 0 | 0 | 109.6 | T341 | T341-I343 PolarHBondContact O-N 3.01Š|
Retrieved 343 of 343 residues in 1277.9 ms
(Link to these results)