| 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 | 72.4 | Confident | 90.5 | Very high | 165 Ų | 165 | 53.8 Ų | 53.8 | 81% | 0.813 | 28% | 0.277 | S | S | * | . | 0 | 124.8 | 0 | -158.3 | 170.1 | -150.5 | 0 | 0 | 108.2 | T67 | M1-T67 PolarHBondContact SD-OG1 2.98Š| |||
| 2 | L | 90.1 | Very high | 90.8 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 155 | -178.2 | -56.4 | 173.5 | 0 | 0 | 0 | 110.2 | A18 A21 L22 A65 V66 T67 | L2-A18 HydrophobicContact CD1-CB 4.47Å; L2-A18 HydrophobicContact CD2-CB 3.85Å; L2-A21 HydrophobicContact CD1-CB 4.15Å; L2-L22 HydrophobicContact CD1-CD2 3.66Å; L2-L22 HydrophobicContact CD1-CG 4.2Å; L2-A65 PolarHBondContact N-O 3.26Å; L2-V66 HydrophobicContact CB-CB 4.47Å; L2-V66 HydrophobicContact CB-CG1 4.02Å; L2-V66 CarbonylContact O-C 3.55Å; L2-V66 VanDerWaalsContact O-CA 3.27Å; L2-V66 WeakPolarHBondContact O-CA 3.44Å; L2-T67 PolarHBondContact O-N 3.23Å |
| 3 | V | 91.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.9 | -178.7 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | V69 | V3-V69 HydrophobicContact CG1-CB 4.38Å; V3-V69 HydrophobicContact CG1-CG1 3.98Å; V3-V69 HydrophobicContact CG1-CG2 3.45Å; V3-V69 VanDerWaalsContact CG1-CG2 3.45Å |
| 4 | V | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.7 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | V13 L52 V66 T67 L68 V69 | V4-V13 HydrophobicContact CG2-CG2 3.95Å; V4-L52 HydrophobicContact CG1-CD1 4.1Å; V4-L52 HydrophobicContact CG2-CD1 4.05Å; V4-V66 HydrophobicContact CB-CG2 4.48Å; V4-V66 HydrophobicContact CG2-CB 3.87Å; V4-V66 HydrophobicContact CG2-CG1 4.13Å; V4-V66 HydrophobicContact CG2-CG2 3.75Å; V4-T67 PolarHBondContact N-O 2.86Å; V4-L68 HydrophobicContact CB-CD2 3.68Å; V4-L68 HydrophobicContact CG1-CD2 3.82Å; V4-L68 HydrophobicContact CG2-CD2 4.32Å; V4-L68 CarbonylContact O-C 3.5Å; V4-L68 WeakPolarHBondContact O-CA 3.21Å; V4-V69 PolarHBondContact O-N 3.46Å |
| 5 | E | 93.2 | Very high | 90.5 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.2 | 176.4 | -172 | -175.1 | 171.4 | 0 | 0 | 110 | S11 L12 W14 V69 R196 | E5-S11 CarbonylContact O-C 3.54Å; E5-L12 PolarHBondContact N-O 3.34Å; E5-L12 PolarHBondContact O-N 2.91Å; E5-W14 PolarHBondContact OE2-NE1 3.07Å; E5-V69 CarbonylContact C-O 3.03Å; E5-V69 WeakPolarHBondContact CA-O 3.1Å; E5-V69 HydrophobicContact CB-CG2 4.48Å; E5-R196 IonicContact OE1-CZ 3.11Å; E5-R196 IonicContact OE1-NH1 3.24Å; E5-R196 PolarHBondContact OE1-NH1 3.31Å; E5-R196 IonicContact OE2-CZ 3.34Å; E5-R196 IonicContact OE2-NE 3.15Å; E5-R196 IonicContact OE2-NH1 3.84Å; E5-R196 PolarHBondContact OE2-NH1 3.48Å |
| 6 | V | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.5 | 177.3 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | R10 L68 V69 L205 D213 W214 | V6-R10 CarbonylContact C-O 3.56Å; V6-R10 VanDerWaalsContact CA-O 3.31Å; V6-R10 WeakPolarHBondContact CA-O 3.4Å; V6-L68 HydrophobicContact CG2-CB 3.94Å; V6-L68 HydrophobicContact CG2-CD1 4.26Å; V6-L68 HydrophobicContact CG2-CD2 4.23Å; V6-L68 HydrophobicContact CG2-CG 4.37Å; V6-V69 PolarHBondContact N-O 3.48Å; V6-L205 HydrophobicContact CB-CD1 4.19Å; V6-L205 HydrophobicContact CG1-CD1 4.36Å; V6-D213 HydrophobicContact CG1-CB 4.11Å; V6-D213 WeakPolarHBondContact CG1-O 3.38Å; V6-W214 HydrophobicContact CG1-CE3 4.24Å |
| 7 | A | 90.3 | Very high | 90.4 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 124.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G9 R10 | A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.9Å; A7-R10 PolarHBondContact N-O 3.34Å; A7-R10 WeakPolarHBondContact O-CB 3.4Å; A7-R10 PolarHBondContact O-N 3.13Å |
| 8 | N | 88.9 | Confident | 90.4 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 42.6 | 179.5 | -61 | -55.1 | 0 | 0 | 0 | 113.8 | R10 R73 D213 | N8-R10 PolarHBondContact O-N 2.96Å; N8-R73 PolarHBondContact OD1-NH1 2.93Å; N8-R73 PolarHBondContact OD1-NH2 2.87Å; N8-D213 PolarHBondContact N-OD1 3.34Å |
| 9 | G | 91.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 19% | 0.186 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 8.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A7 D213 | A7-G9 VanDerWaalsContact C-N 3.33Å; A7-G9 PolarHBondContact O-N 2.9Å; G9-D213 WeakPolarHBondContact CA-O 3.02Å; G9-D213 PolarHBondContact N-O 3.12Å |
| 10 | R | 93.9 | Very high | 90.6 | Very high | 161 Ų | 161 | 53.7 Ų | 53.7 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.2 | 178.4 | -61.3 | -179.5 | -177.4 | 170.4 | 1.1 | 110.2 | V6 A7 N8 L51 | V6-R10 CarbonylContact C-O 3.56Å; V6-R10 VanDerWaalsContact CA-O 3.31Å; V6-R10 WeakPolarHBondContact CA-O 3.4Å; A7-R10 PolarHBondContact N-O 3.34Å; A7-R10 WeakPolarHBondContact O-CB 3.4Å; A7-R10 PolarHBondContact O-N 3.13Å; N8-R10 PolarHBondContact O-N 2.96Å; R10-L51 HydrophobicContact CB-CD1 3.8Å; R10-L51 HydrophobicContact CG-CD1 4.25Å |
| 11 | S | 95.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.2 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 110 | E5 L51 L52 A57 | E5-S11 CarbonylContact O-C 3.54Å; S11-L51 WeakPolarHBondContact O-CA 3.18Å; S11-L52 PolarHBondContact O-N 3.47Å; S11-A57 VanDerWaalsContact OG-CB 3.24Å; S11-A57 WeakPolarHBondContact OG-CB 3.27Å |
| 12 | L | 93.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | -169.6 | -59.4 | 174.5 | 0 | 0 | 0 | 111.1 | E5 W14 P49 L50 L51 | E5-L12 PolarHBondContact N-O 3.34Å; E5-L12 PolarHBondContact O-N 2.91Å; L12-W14 HydrophobicContact CD1-CZ2 4.19Å; L12-P49 HydrophobicContact CB-CB 4.26Å; L12-P49 HydrophobicContact CD2-CB 4.39Å; L12-P49 HydrophobicContact CD2-CG 4.05Å; L12-L50 CarbonylContact C-O 3.58Å; L12-L50 WeakPolarHBondContact CA-O 3.4Å; L12-L51 HydrophobicContact CD2-CB 4.24Å; L12-L51 HydrophobicContact CD2-CD1 3.75Å |
| 13 | V | 92.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.6 | 173.6 | -175 | 0 | 0 | 0 | 0 | 108.2 | V4 A18 V19 L22 P49 L50 L52 | V4-V13 HydrophobicContact CG2-CG2 3.95Å; V13-A18 HydrophobicContact CG1-CB 3.66Å; V13-V19 HydrophobicContact CB-CG2 4.07Å; V13-V19 HydrophobicContact CG1-CG2 3.72Å; V13-L22 HydrophobicContact CG1-CD1 4.48Å; V13-L22 HydrophobicContact CG2-CD1 3.74Å; V13-P49 CarbonylContact O-C 3.43Å; V13-P49 VanDerWaalsContact O-CA 3.31Å; V13-P49 WeakPolarHBondContact O-CA 3.42Å; V13-P49 WeakPolarHBondContact O-CB 3.49Å; V13-L50 HydrophobicContact CB-CB 4.17Å; V13-L50 PolarHBondContact N-O 3.15Å; V13-L50 PolarHBondContact O-N 2.94Å; V13-L52 HydrophobicContact CG2-CD1 3.91Å; V13-L52 HydrophobicContact CG2-CG 4.2Å |
| 14 | W | 88.9 | Confident | 92.2 | Very high | 55 Ų | 55 | 48 Ų | 48 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | trans | -98.5 | -13 | -173.5 | -66.7 | 95.6 | 0 | 0 | 0 | 114.5 | E5 L12 P49 R196 | E5-W14 PolarHBondContact OE2-NE1 3.07Å; L12-W14 HydrophobicContact CD1-CZ2 4.19Å; W14-P49 HydrophobicContact CD2-CB 3.73Å; W14-P49 HydrophobicContact CD2-CG 4.24Å; W14-P49 HydrophobicContact CE3-CB 3.78Å; W14-P49 HydrophobicContact CE3-CG 4.05Å; W14-P49 HydrophobicContact CG-CB 4.22Å; W14-P49 HydrophobicContact CH2-CB 4.37Å; W14-P49 HydrophobicContact CH2-CG 3.81Å; W14-P49 HydrophobicContact CZ2-CB 4.32Å; W14-P49 HydrophobicContact CZ2-CG 4Å; W14-P49 HydrophobicContact CZ3-CB 4.12Å; W14-P49 HydrophobicContact CZ3-CG 3.85Å; W14-R196 HydrophobicContact CB-CB 3.91Å; W14-R196 HydrophobicContact CD2-CB 3.55Å; W14-R196 HydrophobicContact CE3-CB 3.92Å; W14-R196 HydrophobicContact CG-CB 3.55Å | ||
| 15 | G | 87.1 | Confident | 92.2 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | trans | -98.1 | 129.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E17 A18 V19 | G15-E17 PolarHBondContact O-N 3.33Å; G15-A18 WeakPolarHBondContact O-CB 3.44Å; G15-A18 PolarHBondContact O-N 3.15Å; G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.97Å | ||
| 16 | A | 88.2 | Confident | 92.3 | Very high | 66 Ų | 66 | 59 Ų | 59 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A18 V19 Q20 L48 | A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.9Å; A16-V19 PolarHBondContact O-N 2.96Å; A16-Q20 WeakPolarHBondContact O-CB 3.39Å; A16-Q20 PolarHBondContact O-N 3.14Å; A16-L48 HydrophobicContact CB-CD1 4.02Å |
| 17 | E | 89.6 | Confident | 92.4 | Very high | 165 Ų | 165 | 59.8 Ų | 59.8 | 77% | 0.771 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 176.6 | -63.4 | 176.4 | -179.9 | 0 | 0 | 112.1 | G15 Q20 A21 | G15-E17 PolarHBondContact O-N 3.33Å; E17-Q20 PolarHBondContact O-N 3.41Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 3.05Å |
| 18 | A | 91.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L2 V13 G15 A16 Q20 A21 L22 | L2-A18 HydrophobicContact CD1-CB 4.47Å; L2-A18 HydrophobicContact CD2-CB 3.85Å; V13-A18 HydrophobicContact CG1-CB 3.66Å; G15-A18 WeakPolarHBondContact O-CB 3.44Å; G15-A18 PolarHBondContact O-N 3.15Å; A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 2.9Å; A18-Q20 VanDerWaalsContact C-N 3.33Å; A18-Q20 PolarHBondContact O-N 3.26Å; A18-A21 PolarHBondContact O-N 3.11Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.69Å |
| 19 | V | 92.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | V13 G15 A16 L22 R23 L48 L50 | V13-V19 HydrophobicContact CB-CG2 4.07Å; V13-V19 HydrophobicContact CG1-CG2 3.72Å; G15-V19 WeakPolarHBondContact O-CG2 3.47Å; G15-V19 PolarHBondContact O-N 2.97Å; A16-V19 PolarHBondContact O-N 2.96Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-R23 WeakPolarHBondContact O-CB 3.47Å; V19-R23 PolarHBondContact O-N 3.11Å; V19-R23 VanDerWaalsContact O-N 3.13Å; V19-L48 HydrophobicContact CG2-CD2 3.7Å; V19-L50 HydrophobicContact CB-CD2 4.47Å; V19-L50 HydrophobicContact CG1-CB 4.44Å; V19-L50 HydrophobicContact CG1-CD1 4.23Å; V19-L50 HydrophobicContact CG1-CD2 4.09Å; V19-L50 HydrophobicContact CG1-CG 4.5Å; V19-L50 HydrophobicContact CG2-CB 3.51Å; V19-L50 HydrophobicContact CG2-CD2 3.97Å; V19-L50 HydrophobicContact CG2-CG 4.27Å |
| 20 | Q | 92.1 | Very high | 92.9 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 47% | 0.467 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 175.5 | -175.4 | 179.5 | 0.2 | 0 | 0 | 111 | A16 E17 A18 L22 R23 E24 | A16-Q20 WeakPolarHBondContact O-CB 3.39Å; A16-Q20 PolarHBondContact O-N 3.14Å; E17-Q20 PolarHBondContact O-N 3.41Å; A18-Q20 VanDerWaalsContact C-N 3.33Å; A18-Q20 PolarHBondContact O-N 3.26Å; Q20-L22 PolarHBondContact O-N 2.64Å; Q20-R23 PolarHBondContact O-N 3.33Å; Q20-E24 VanDerWaalsContact CG-CD 3.4Å; Q20-E24 HydrophobicContact CG-CG 4.17Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.43Å; Q20-E24 WeakPolarHBondContact CG-OE2 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 3.39Å; Q20-E24 PolarHBondContact NE2-OE2 3.04Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 PolarHBondContact O-N 3.09Å |
| 21 | A | 93.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2 E17 A18 R23 R25 | L2-A21 HydrophobicContact CD1-CB 4.15Å; E17-A21 WeakPolarHBondContact O-CB 3.41Å; E17-A21 PolarHBondContact O-N 3.05Å; A18-A21 PolarHBondContact O-N 3.11Å; A21-R23 VanDerWaalsContact C-N 3.29Å; A21-R23 PolarHBondContact O-N 3.46Å; A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 3.39Å |
| 22 | L | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 176.1 | -67.5 | -174.3 | 0 | 0 | 0 | 111.5 | L2 V13 A18 V19 Q20 L26 G27 V28 L50 L52 L60 V66 | L2-L22 HydrophobicContact CD1-CD2 3.66Å; L2-L22 HydrophobicContact CD1-CG 4.2Å; V13-L22 HydrophobicContact CG1-CD1 4.48Å; V13-L22 HydrophobicContact CG2-CD1 3.74Å; A18-L22 VanDerWaalsContact O-CG 3.3Å; A18-L22 WeakPolarHBondContact O-CG 3.42Å; A18-L22 PolarHBondContact O-N 2.69Å; V19-L22 PolarHBondContact O-N 3.35Å; Q20-L22 PolarHBondContact O-N 2.64Å; L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 CarbonylContact O-C 3.33Å; L22-L26 WeakPolarHBondContact O-CA 3.47Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 2.94Å; L22-G27 PolarHBondContact O-N 3.04Å; L22-G27 VanDerWaalsContact O-N 3.15Å; L22-V28 CarbonylContact C-O 3.1Å; L22-V28 HydrophobicContact CB-CB 4.45Å; L22-V28 PolarHBondContact O-N 2.95Å; L22-L50 HydrophobicContact CD1-CD2 4.34Å; L22-L52 HydrophobicContact CD1-CD1 4.39Å; L22-L52 HydrophobicContact CD1-CD2 4.25Å; L22-L60 HydrophobicContact CD1-CD1 4.04Å; L22-L60 HydrophobicContact CD2-CD1 3.7Å; L22-L60 HydrophobicContact CD2-CD2 3.8Å; L22-L60 HydrophobicContact CD2-CG 4.4Å; L22-L60 HydrophobicContact CG-CD1 4.44Å; L22-V66 HydrophobicContact CD2-CG1 3.97Å |
| 23 | R | 94.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 56 Ų | 56 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.3 | -51.3 | -176.9 | 175.9 | 177 | -76.9 | -102.8 | -4 | 113 | V19 Q20 A21 G27 V28 G29 D255 | V19-R23 WeakPolarHBondContact O-CB 3.47Å; V19-R23 PolarHBondContact O-N 3.11Å; V19-R23 VanDerWaalsContact O-N 3.13Å; Q20-R23 PolarHBondContact O-N 3.33Å; A21-R23 VanDerWaalsContact C-N 3.29Å; A21-R23 PolarHBondContact O-N 3.46Å; R23-G27 PolarHBondContact O-N 3.41Å; R23-V28 VanDerWaalsContact CA-O 3.3Å; R23-V28 WeakPolarHBondContact CA-O 3.32Å; R23-V28 PolarHBondContact N-O 3.31Å; R23-G29 PolarHBondContact NH2-O 3.43Å; R23-G29 VanDerWaalsContact NH2-O 3.17Å; R23-D255 WeakPolarHBondContact CD-OD2 3.5Å; R23-D255 WeakPolarHBondContact CG-OD2 3.42Å; R23-D255 IonicContact CZ-OD1 2.74Å; R23-D255 IonicContact CZ-OD2 3.7Å; R23-D255 IonicContact NE-OD2 3.83Å; R23-D255 IonicContact NH1-OD1 2.85Å; R23-D255 PolarHBondContact NH1-OD1 3.01Å; R23-D255 IonicContact NH1-OD2 2.8Å; R23-D255 PolarHBondContact NH1-OD2 3.15Å |
| 24 | E | 93.8 | Very high | 91 | Very high | 135 Ų | 135 | 57.7 Ų | 57.7 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -77.8 | -34.8 | -172.7 | -68.3 | 177.7 | 176.6 | 0 | 0 | 112.7 | Q20 | Q20-E24 VanDerWaalsContact CG-CD 3.4Å; Q20-E24 HydrophobicContact CG-CG 4.17Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.43Å; Q20-E24 WeakPolarHBondContact CG-OE2 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 3.39Å; Q20-E24 PolarHBondContact NE2-OE2 3.04Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 PolarHBondContact O-N 3.09Å |
| 25 | R | 94.3 | Very high | 89.8 | Confident | 204 Ų | 204 | 56.8 Ų | 56.8 | 77% | 0.77 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -104.5 | -27.9 | -172.3 | -57 | 172.3 | 58.2 | 173.6 | -0.2 | 113.4 | A21 | A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.39Å; A21-R25 PolarHBondContact O-N 3.39Å |
| 26 | L | 95.9 | Very high | 88.7 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -117.2 | 0.7 | -173.3 | -53.2 | 175.9 | 0 | 0 | 0 | 113.1 | L22 V28 L60 I63 A65 W233 | L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 CarbonylContact O-C 3.33Å; L22-L26 WeakPolarHBondContact O-CA 3.47Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 2.94Å; L26-V28 PolarHBondContact O-N 3.42Å; L26-L60 HydrophobicContact CB-CD2 4.09Å; L26-L60 HydrophobicContact CD1-CD2 3.46Å; L26-L60 VanDerWaalsContact CD1-CD2 3.46Å; L26-L60 HydrophobicContact CG-CD2 4.39Å; L26-I63 HydrophobicContact CD2-CD1 4.3Å; L26-A65 HydrophobicContact CD1-CB 3.56Å; L26-A65 HydrophobicContact CD2-CB 4.42Å; L26-W233 PolarHBondContact O-NE1 3.48Å |
| 27 | G | 96 | Very high | 87.4 | Confident | 16 Ų | 16 | 59 Ų | 59 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | trans | 65.9 | 21.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L22 R23 F238 | L22-G27 PolarHBondContact O-N 3.04Å; L22-G27 VanDerWaalsContact O-N 3.15Å; R23-G27 PolarHBondContact O-N 3.41Å; G27-F238 VanDerWaalsContact C-CE1 3.46Å; G27-F238 VanDerWaalsContact CA-CZ 3.49Å; G27-F238 VanDerWaalsContact O-CD1 3.31Å; G27-F238 WeakPolarHBondContact O-CD1 3.49Å; G27-F238 WeakPolarHBondContact O-CE1 3.39Å | ||
| 28 | V | 96.8 | Very high | 86 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -107.1 | 113.1 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | L22 R23 L26 L52 E56 L60 | L22-V28 CarbonylContact C-O 3.1Å; L22-V28 HydrophobicContact CB-CB 4.45Å; L22-V28 PolarHBondContact O-N 2.95Å; R23-V28 VanDerWaalsContact CA-O 3.3Å; R23-V28 WeakPolarHBondContact CA-O 3.32Å; R23-V28 PolarHBondContact N-O 3.31Å; L26-V28 PolarHBondContact O-N 3.42Å; V28-L52 HydrophobicContact CG1-CD2 3.76Å; V28-E56 HydrophobicContact CG1-CB 3.99Å; V28-E56 HydrophobicContact CG1-CG 3.75Å; V28-L60 HydrophobicContact CB-CD1 4.45Å; V28-L60 HydrophobicContact CG1-CD1 4.08Å; V28-L60 HydrophobicContact CG2-CD1 4.38Å; V28-L60 HydrophobicContact CG2-CD2 4.03Å; V28-L60 HydrophobicContact CG2-CG 4.19Å | ||
| 29 | G | 92.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -85.2 | -38 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R23 L50 | R23-G29 PolarHBondContact NH2-O 3.43Å; R23-G29 VanDerWaalsContact NH2-O 3.17Å; G29-L50 WeakPolarHBondContact O-CD1 3.43Å | ||
| 30 | G | 92.9 | Very high | 82.9 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | trans | 53.5 | -169.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E56 | G30-E56 PolarHBondContact N-OE1 2.9Š| ||
| 31 | R | 90.8 | Very high | 81.4 | Confident | 159 Ų | 159 | 72.6 Ų | 72.6 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122 | 173.4 | -172.7 | -177.5 | 74.7 | -175.9 | 2.7 | 110.9 | L51 | R31-L51 PolarHBondContact N-O 3.46Å; R31-L51 WeakPolarHBondContact O-CB 3.39Å; R31-L51 PolarHBondContact O-N 2.95Å |
| 32 | T | 87.6 | Confident | 79.9 | Confident | 24 Ų | 24 | 76.2 Ų | 76.2 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.7 | 172.8 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | N43 S44 R45 G47 L50 | T32-N43 PolarHBondContact OG1-O 3.41Å; T32-S44 VanDerWaalsContact OG1-CA 3.24Å; T32-S44 WeakPolarHBondContact OG1-CA 3.34Å; T32-S44 PolarHBondContact OG1-O 3.36Å; T32-S44 VanDerWaalsContact OG1-O 3.1Å; T32-R45 PolarHBondContact OG1-N 3Å; T32-G47 WeakPolarHBondContact CB-O 3.3Å; T32-G47 WeakPolarHBondContact CG2-O 3.47Å; T32-L50 HydrophobicContact CG2-CD1 4.07Å |
| 33 | V | 83.1 | Confident | 78.1 | Confident | 56 Ų | 56 | 79 Ų | 79 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | trans | -118.6 | 129.7 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | L48 P49 L51 | V33-L48 CarbonylContact O-C 3.6Å; V33-L48 VanDerWaalsContact O-C 3.27Å; V33-P49 PolarHBondContact N-O 3.32Å; V33-L51 HydrophobicContact CG2-CB 3.57Å; V33-L51 HydrophobicContact CG2-CD2 4.14Å; V33-L51 HydrophobicContact CG2-CG 4.5Å | ||
| 34 | G | 73.3 | Confident | 76.5 | Confident | 38 Ų | 38 | 81.1 Ų | 81.1 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | trans | 125.9 | 171.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N43 | G34-N43 WeakPolarHBondContact O-CA 3.41Å; G34-N43 WeakPolarHBondContact O-CB 3.39Å | ||
| 35 | A | 64.8 | Low | 75.1 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 30% | 0.298 | 41% | 0.408 | S | S | . | . | trans | -130.9 | 133.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | N43 L192 | A35-N43 WeakPolarHBondContact CA-OD1 3.49Å; A35-N43 VanDerWaalsContact CB-CG 3.48Å; A35-N43 WeakPolarHBondContact CB-OD1 3.34Å; A35-L192 WeakPolarHBondContact O-CD1 3.38Å | ||
| 36 | L | 64.9 | Low | 73.8 | Confident | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -76.1 | 128.4 | 167 | -70.6 | -175.1 | 0 | 0 | 0 | 108.2 | R38 G39 L46 | L36-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact O-N 3.08Å; L36-G39 CarbonylContact O-C 3.56Å; L36-G39 VanDerWaalsContact O-C 3.25Å; L36-G39 PolarHBondContact O-N 2.89Å; L36-L46 HydrophobicContact CD1-CB 3.42Å; L36-L46 VanDerWaalsContact CD1-CB 3.42Å; L36-L46 HydrophobicContact CD1-CD1 3.82Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CB 4Å |
| 37 | P | 59.2 | Low | 72.7 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.7 | -178.8 | -28.8 | 35.2 | 0 | 0 | 0 | 113.8 | ||
| 38 | R | 60.4 | Low | 72.2 | Confident | 241 Ų | 241 | 76.6 Ų | 76.6 | 91% | 0.909 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.6 | 178 | -69.8 | -175.9 | 164.5 | 151.1 | -2.8 | 114.5 | L36 | L36-R38 PolarHBondContact O-N 2.98Å; L36-R38 VanDerWaalsContact O-N 3.08Å |
| 39 | G | 62.6 | Low | 71.8 | Confident | 15 Ų | 15 | 77.2 Ų | 77.2 | 16% | 0.155 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -150.1 | 57.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L36 R41 Q42 | L36-G39 CarbonylContact O-C 3.56Å; L36-G39 VanDerWaalsContact O-C 3.25Å; L36-G39 PolarHBondContact O-N 2.89Å; G39-R41 PolarHBondContact O-N 3.09Å; G39-Q42 PolarHBondContact O-N 3.25Å |
| 40 | P | 56.8 | Low | 71.8 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.3 | -173.3 | 27.4 | -36.2 | 0 | 0 | 0 | 114.2 | N43 | P40-N43 PolarHBondContact O-ND2 3.47Å; P40-N43 PolarHBondContact O-OD1 2.95Å |
| 41 | R | 60 | Low | 71.8 | Confident | 244 Ų | 244 | 77.5 Ų | 77.5 | 92% | 0.921 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.1 | 174.3 | -65.2 | -176.4 | -179.2 | 164.2 | 0.3 | 113.4 | G39 | G39-R41 PolarHBondContact O-N 3.09Š|
| 42 | Q | 62.3 | Low | 72.2 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | -111.9 | 22.1 | -177.3 | -63.4 | -174.1 | -9.4 | 0 | 0 | 113.6 | G39 S44 R45 L46 | G39-Q42 PolarHBondContact O-N 3.25Å; Q42-S44 PolarHBondContact O-N 3.03Å; Q42-S44 VanDerWaalsContact O-N 3.1Å; Q42-R45 PolarHBondContact O-N 2.91Å; Q42-L46 HydrophobicContact CB-CD1 4.15Å; Q42-L46 HydrophobicContact CB-CG 4.37Å; Q42-L46 PolarHBondContact O-N 2.97Å; Q42-L46 VanDerWaalsContact O-N 3.14Å | ||
| 43 | N | 58.7 | Low | 72.6 | Confident | 60 Ų | 60 | 70.6 Ų | 70.6 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.2 | -176.5 | -61.8 | -5.1 | 0 | 0 | 0 | 113.8 | T32 G34 A35 P40 R45 | T32-N43 PolarHBondContact OG1-O 3.41Å; G34-N43 WeakPolarHBondContact O-CA 3.41Å; G34-N43 WeakPolarHBondContact O-CB 3.39Å; A35-N43 WeakPolarHBondContact CA-OD1 3.49Å; A35-N43 VanDerWaalsContact CB-CG 3.48Å; A35-N43 WeakPolarHBondContact CB-OD1 3.34Å; P40-N43 PolarHBondContact O-ND2 3.47Å; P40-N43 PolarHBondContact O-OD1 2.95Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 3.34Å |
| 44 | S | 61.3 | Low | 73.3 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.8 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | T32 Q42 | T32-S44 VanDerWaalsContact OG1-CA 3.24Å; T32-S44 WeakPolarHBondContact OG1-CA 3.34Å; T32-S44 PolarHBondContact OG1-O 3.36Å; T32-S44 VanDerWaalsContact OG1-O 3.1Å; Q42-S44 PolarHBondContact O-N 3.03Å; Q42-S44 VanDerWaalsContact O-N 3.1Å |
| 45 | R | 63.7 | Low | 74.5 | Confident | 165 Ų | 165 | 67.4 Ų | 67.4 | 62% | 0.623 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -37.6 | -175.8 | -66.8 | -176 | -179.1 | 160.4 | -0.5 | 114.4 | T32 Q42 N43 L257 | T32-R45 PolarHBondContact OG1-N 3Å; Q42-R45 PolarHBondContact O-N 2.91Å; N43-R45 VanDerWaalsContact C-N 3.29Å; N43-R45 PolarHBondContact O-N 3.34Å; R45-L257 HydrophobicContact CG-CD2 4.1Å |
| 46 | L | 65.9 | Low | 76.1 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -113.9 | 11.6 | -166.4 | -57.2 | -178.1 | 0 | 0 | 0 | 114.5 | L36 Q42 | L36-L46 HydrophobicContact CD1-CB 3.42Å; L36-L46 VanDerWaalsContact CD1-CB 3.42Å; L36-L46 HydrophobicContact CD1-CD1 3.82Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CB 4Å; Q42-L46 HydrophobicContact CB-CD1 4.15Å; Q42-L46 HydrophobicContact CB-CG 4.37Å; Q42-L46 PolarHBondContact O-N 2.97Å; Q42-L46 VanDerWaalsContact O-N 3.14Å |
| 47 | G | 74.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | trans | -101.8 | 133.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T32 | T32-G47 WeakPolarHBondContact CB-O 3.3Å; T32-G47 WeakPolarHBondContact CG2-O 3.47Å | ||
| 48 | L | 84.1 | Confident | 79.5 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -108.9 | 148.3 | 158.5 | -72.9 | 172.4 | 0 | 0 | 0 | 108.3 | A16 V19 V33 T194 | A16-L48 HydrophobicContact CB-CD1 4.02Å; V19-L48 HydrophobicContact CG2-CD2 3.7Å; V33-L48 CarbonylContact O-C 3.6Å; V33-L48 VanDerWaalsContact O-C 3.27Å; L48-T194 WeakPolarHBondContact CB-O 3.39Å; L48-T194 WeakPolarHBondContact CD1-O 3.48Å |
| 49 | P | 89.1 | Confident | 81.3 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | S | Bend | cis | -80.8 | 161.3 | 9.6 | 32 | -34.4 | 0 | 0 | 0 | 114.6 | L12 V13 W14 V33 | L12-P49 HydrophobicContact CB-CB 4.26Å; L12-P49 HydrophobicContact CD2-CB 4.39Å; L12-P49 HydrophobicContact CD2-CG 4.05Å; V13-P49 CarbonylContact O-C 3.43Å; V13-P49 VanDerWaalsContact O-CA 3.31Å; V13-P49 WeakPolarHBondContact O-CA 3.42Å; V13-P49 WeakPolarHBondContact O-CB 3.49Å; W14-P49 HydrophobicContact CD2-CB 3.73Å; W14-P49 HydrophobicContact CD2-CG 4.24Å; W14-P49 HydrophobicContact CE3-CB 3.78Å; W14-P49 HydrophobicContact CE3-CG 4.05Å; W14-P49 HydrophobicContact CG-CB 4.22Å; W14-P49 HydrophobicContact CH2-CB 4.37Å; W14-P49 HydrophobicContact CH2-CG 3.81Å; W14-P49 HydrophobicContact CZ2-CB 4.32Å; W14-P49 HydrophobicContact CZ2-CG 4Å; W14-P49 HydrophobicContact CZ3-CB 4.12Å; W14-P49 HydrophobicContact CZ3-CG 3.85Å; V33-P49 PolarHBondContact N-O 3.32Å |
| 50 | L | 91.9 | Very high | 83 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.6 | 163.3 | -171.7 | 82.2 | 0 | 0 | 0 | 109.1 | L12 V13 V19 L22 G29 T32 L52 | L12-L50 CarbonylContact C-O 3.58Å; L12-L50 WeakPolarHBondContact CA-O 3.4Å; V13-L50 HydrophobicContact CB-CB 4.17Å; V13-L50 PolarHBondContact N-O 3.15Å; V13-L50 PolarHBondContact O-N 2.94Å; V19-L50 HydrophobicContact CB-CD2 4.47Å; V19-L50 HydrophobicContact CG1-CB 4.44Å; V19-L50 HydrophobicContact CG1-CD1 4.23Å; V19-L50 HydrophobicContact CG1-CD2 4.09Å; V19-L50 HydrophobicContact CG1-CG 4.5Å; V19-L50 HydrophobicContact CG2-CB 3.51Å; V19-L50 HydrophobicContact CG2-CD2 3.97Å; V19-L50 HydrophobicContact CG2-CG 4.27Å; L22-L50 HydrophobicContact CD1-CD2 4.34Å; G29-L50 WeakPolarHBondContact O-CD1 3.43Å; T32-L50 HydrophobicContact CG2-CD1 4.07Å; L50-L52 HydrophobicContact CD2-CD2 3.76Å; L50-L52 HydrophobicContact CG-CD2 4.43Å |
| 51 | L | 94.3 | Very high | 84.9 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.6 | 171 | 176.2 | 68.3 | 0 | 0 | 0 | 109.4 | R10 S11 L12 R31 V33 | R10-L51 HydrophobicContact CB-CD1 3.8Å; R10-L51 HydrophobicContact CG-CD1 4.25Å; S11-L51 WeakPolarHBondContact O-CA 3.18Å; L12-L51 HydrophobicContact CD2-CB 4.24Å; L12-L51 HydrophobicContact CD2-CD1 3.75Å; R31-L51 PolarHBondContact N-O 3.46Å; R31-L51 WeakPolarHBondContact O-CB 3.39Å; R31-L51 PolarHBondContact O-N 2.95Å; V33-L51 HydrophobicContact CG2-CB 3.57Å; V33-L51 HydrophobicContact CG2-CD2 4.14Å; V33-L51 HydrophobicContact CG2-CG 4.5Å |
| 52 | L | 97.2 | Very high | 86.7 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 148.3 | 173.2 | -59 | 176.3 | 0 | 0 | 0 | 110.7 | V4 S11 V13 L22 V28 L50 E56 A57 L60 | V4-L52 HydrophobicContact CG1-CD1 4.1Å; V4-L52 HydrophobicContact CG2-CD1 4.05Å; S11-L52 PolarHBondContact O-N 3.47Å; V13-L52 HydrophobicContact CG2-CD1 3.91Å; V13-L52 HydrophobicContact CG2-CG 4.2Å; L22-L52 HydrophobicContact CD1-CD1 4.39Å; L22-L52 HydrophobicContact CD1-CD2 4.25Å; V28-L52 HydrophobicContact CG1-CD2 3.76Å; L50-L52 HydrophobicContact CD2-CD2 3.76Å; L50-L52 HydrophobicContact CG-CD2 4.43Å; L52-E56 VanDerWaalsContact CA-OE2 3.27Å; L52-E56 WeakPolarHBondContact CA-OE2 3.34Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.33Å; L52-A57 HydrophobicContact CB-CB 4.32Å; L52-A57 HydrophobicContact CD1-CB 4.35Å; L52-L60 HydrophobicContact CD1-CD1 3.82Å |
| 53 | L | 97.6 | Very high | 88.4 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -63 | 154.9 | 162.1 | -60.5 | 177.4 | 0 | 0 | 0 | 110.3 | E55 E56 A57 Y229 A241 F249 | L53-E55 PolarHBondContact O-N 2.89Å; L53-E56 HydrophobicContact CB-CB 4.15Å; L53-E56 HydrophobicContact CB-CG 4.04Å; L53-E56 HydrophobicContact CG-CG 4.44Å; L53-E56 PolarHBondContact N-OE2 2.92Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 3.4Å; L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.31Å; L53-Y229 HydrophobicContact CD1-CE2 4.49Å; L53-A241 HydrophobicContact CD2-CB 4Å; L53-F249 HydrophobicContact CD1-CD1 4.28Å; L53-F249 HydrophobicContact CD1-CE1 4.13Å |
| 54 | P | 97.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.4 | -40.7 | 170.6 | -26.6 | 36.5 | 0 | 0 | 0 | 112.2 | A57 R58 W214 H222 | P54-A57 PolarHBondContact O-N 2.92Å; P54-R58 WeakPolarHBondContact O-CB 3.17Å; P54-R58 PolarHBondContact O-N 3.33Å; P54-W214 WeakPolarHBondContact O-CH2 3.32Å; P54-H222 WeakPolarHBondContact CB-NE2 3.44Å |
| 55 | E | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | -179.8 | -60.1 | 77.7 | -165.4 | 0 | 0 | 111.9 | L53 R58 L59 H222 R225 Y226 Y229 F249 | L53-E55 PolarHBondContact O-N 2.89Å; E55-R58 PolarHBondContact O-N 3.02Å; E55-L59 WeakPolarHBondContact O-CB 3.22Å; E55-L59 PolarHBondContact O-N 3.34Å; E55-H222 IonicContact OE1-CD2 3.61Å; E55-R225 HydrophobicContact CG-CB 4.3Å; E55-R225 IonicContact OE1-CZ 3.67Å; E55-R225 VanDerWaalsContact OE1-CZ 3.22Å; E55-R225 IonicContact OE1-NE 2.68Å; E55-R225 IonicContact OE1-NH1 3.63Å; E55-R225 PolarHBondContact OE1-NH1 3.08Å; E55-R225 IonicContact OE1-NH2 3.76Å; E55-R225 IonicContact OE2-NH1 3.68Å; E55-R225 IonicContact OE2-NH2 3.94Å; E55-Y226 HydrophobicContact CB-CD2 4.17Å; E55-Y229 HydrophobicContact CB-CD1 3.99Å; E55-Y229 HydrophobicContact CB-CD2 3.76Å; E55-Y229 HydrophobicContact CB-CE2 4.38Å; E55-Y229 HydrophobicContact CB-CG 3.57Å; E55-Y229 HydrophobicContact CG-CG 4.41Å; E55-F249 HydrophobicContact CG-CZ 4.04Å |
| 56 | E | 98.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 172.7 | -78.8 | 175.9 | 147.4 | 0 | 0 | 111.3 | V28 G30 L52 L53 R58 L59 L60 Y229 | V28-E56 HydrophobicContact CG1-CB 3.99Å; V28-E56 HydrophobicContact CG1-CG 3.75Å; G30-E56 PolarHBondContact N-OE1 2.9Å; L52-E56 VanDerWaalsContact CA-OE2 3.27Å; L52-E56 WeakPolarHBondContact CA-OE2 3.34Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.33Å; L53-E56 HydrophobicContact CB-CB 4.15Å; L53-E56 HydrophobicContact CB-CG 4.04Å; L53-E56 HydrophobicContact CG-CG 4.44Å; L53-E56 PolarHBondContact N-OE2 2.92Å; L53-E56 WeakPolarHBondContact O-CB 3.3Å; L53-E56 PolarHBondContact O-N 3.4Å; E56-R58 PolarHBondContact O-N 2.96Å; E56-L59 PolarHBondContact O-N 3.13Å; E56-L60 WeakPolarHBondContact O-CB 3.31Å; E56-L60 VanDerWaalsContact O-CG 3.22Å; E56-L60 WeakPolarHBondContact O-CG 3.15Å; E56-L60 PolarHBondContact O-N 3.02Å; E56-Y229 HydrophobicContact CG-CE1 4.48Å; E56-Y229 HydrophobicContact CG-CE2 3.91Å; E56-Y229 WeakPolarHBondContact CG-OH 3.29Å |
| 57 | A | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S11 L52 L53 P54 A61 L68 W214 | S11-A57 VanDerWaalsContact OG-CB 3.24Å; S11-A57 WeakPolarHBondContact OG-CB 3.27Å; L52-A57 HydrophobicContact CB-CB 4.32Å; L52-A57 HydrophobicContact CD1-CB 4.35Å; L53-A57 WeakPolarHBondContact O-CB 3.46Å; L53-A57 PolarHBondContact O-N 3.31Å; P54-A57 PolarHBondContact O-N 2.92Å; A57-A61 WeakPolarHBondContact O-CB 3.41Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A61 VanDerWaalsContact O-N 3.17Å; A57-L68 HydrophobicContact CB-CD2 4.42Å; A57-W214 HydrophobicContact CB-CH2 3.99Å; A57-W214 HydrophobicContact CB-CZ3 3.99Å |
| 58 | R | 97.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -50.4 | 174.3 | 178.9 | 176.1 | 168.3 | 177.2 | 3.9 | 111.2 | P54 E55 E56 L60 A61 E62 W207 W214 E223 Y226 | P54-R58 WeakPolarHBondContact O-CB 3.17Å; P54-R58 PolarHBondContact O-N 3.33Å; E55-R58 PolarHBondContact O-N 3.02Å; E56-R58 PolarHBondContact O-N 2.96Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.05Å; R58-A61 PolarHBondContact O-N 3.45Å; R58-A61 VanDerWaalsContact O-N 3.12Å; R58-E62 IonicContact NE-OE2 3.22Å; R58-E62 WeakPolarHBondContact O-CB 3.49Å; R58-E62 PolarHBondContact O-N 3.03Å; R58-W207 HydrophobicContact CG-CE3 4.11Å; R58-W207 HydrophobicContact CG-CZ3 4.34Å; R58-W214 HydrophobicContact CB-CH2 4.21Å; R58-W214 HydrophobicContact CB-CZ2 4.03Å; R58-E223 IonicContact CZ-OE1 3.6Å; R58-E223 IonicContact CZ-OE2 3.67Å; R58-E223 VanDerWaalsContact CZ-OE2 3.24Å; R58-E223 IonicContact NH1-OE1 2.81Å; R58-E223 PolarHBondContact NH1-OE1 3.44Å; R58-E223 IonicContact NH1-OE2 2.82Å; R58-E223 PolarHBondContact NH1-OE2 2.88Å; R58-E223 IonicContact NH2-OE1 3.29Å; R58-E223 IonicContact NH2-OE2 3.96Å; R58-E223 PolarHBondContact NH2-OE2 2.89Å; R58-Y226 HydrophobicContact CB-CD2 4.13Å; R58-Y226 HydrophobicContact CB-CE2 3.86Å; R58-Y226 HydrophobicContact CG-CD2 4.07Å; R58-Y226 HydrophobicContact CG-CE1 4.25Å; R58-Y226 HydrophobicContact CG-CE2 3.65Å; R58-Y226 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y226 VanDerWaalsContact NE-CD1 3.27Å |
| 59 | L | 98.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.5 | -52.3 | -179.7 | 174.6 | 69.8 | 0 | 0 | 0 | 110.4 | E55 E56 A61 E62 I63 Y226 Y229 R230 W233 | E55-L59 WeakPolarHBondContact O-CB 3.22Å; E55-L59 PolarHBondContact O-N 3.34Å; E56-L59 PolarHBondContact O-N 3.13Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.86Å; L59-E62 PolarHBondContact O-N 3.34Å; L59-E62 VanDerWaalsContact O-N 3.13Å; L59-I63 HydrophobicContact CD1-CG2 4.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.24Å; L59-Y226 HydrophobicContact CB-CE2 4.01Å; L59-Y229 HydrophobicContact CB-CE1 4.41Å; L59-Y229 HydrophobicContact CD2-CD1 4.5Å; L59-Y229 HydrophobicContact CD2-CE1 3.78Å; L59-R230 HydrophobicContact CD1-CG 4.45Å; L59-W233 HydrophobicContact CD1-CD2 4.39Å; L59-W233 HydrophobicContact CD1-CE3 3.91Å; L59-W233 HydrophobicContact CD1-CZ3 4.04Å; L59-W233 HydrophobicContact CD2-CB 4.35Å; L59-W233 HydrophobicContact CD2-CD2 3.4Å; L59-W233 VanDerWaalsContact CD2-CD2 3.4Å; L59-W233 HydrophobicContact CD2-CE3 3.8Å; L59-W233 HydrophobicContact CD2-CG 3.62Å; L59-W233 HydrophobicContact CD2-CH2 4.49Å; L59-W233 HydrophobicContact CD2-CZ2 4.15Å; L59-W233 HydrophobicContact CD2-CZ3 4.33Å; L59-W233 HydrophobicContact CG-CD2 4.47Å; L59-W233 HydrophobicContact CG-CE3 4.45Å |
| 60 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.2 | -35.5 | -178.5 | -73.5 | 175.6 | 0 | 0 | 0 | 113 | L22 L26 V28 L52 E56 R58 I63 A65 V66 | L22-L60 HydrophobicContact CD1-CD1 4.04Å; L22-L60 HydrophobicContact CD2-CD1 3.7Å; L22-L60 HydrophobicContact CD2-CD2 3.8Å; L22-L60 HydrophobicContact CD2-CG 4.4Å; L22-L60 HydrophobicContact CG-CD1 4.44Å; L26-L60 HydrophobicContact CB-CD2 4.09Å; L26-L60 HydrophobicContact CD1-CD2 3.46Å; L26-L60 VanDerWaalsContact CD1-CD2 3.46Å; L26-L60 HydrophobicContact CG-CD2 4.39Å; V28-L60 HydrophobicContact CB-CD1 4.45Å; V28-L60 HydrophobicContact CG1-CD1 4.08Å; V28-L60 HydrophobicContact CG2-CD1 4.38Å; V28-L60 HydrophobicContact CG2-CD2 4.03Å; V28-L60 HydrophobicContact CG2-CG 4.19Å; L52-L60 HydrophobicContact CD1-CD1 3.82Å; E56-L60 WeakPolarHBondContact O-CB 3.31Å; E56-L60 VanDerWaalsContact O-CG 3.22Å; E56-L60 WeakPolarHBondContact O-CG 3.15Å; E56-L60 PolarHBondContact O-N 3.02Å; R58-L60 VanDerWaalsContact C-N 3.31Å; R58-L60 PolarHBondContact O-N 3.05Å; L60-I63 HydrophobicContact CD2-CD1 4.43Å; L60-A65 HydrophobicContact CD2-CB 4.37Å; L60-A65 PolarHBondContact O-N 3.01Å; L60-V66 HydrophobicContact CB-CB 4.36Å; L60-V66 HydrophobicContact CB-CG1 3.82Å; L60-V66 HydrophobicContact CB-CG2 3.59Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; L60-V66 HydrophobicContact CD2-CG1 4.41Å; L60-V66 HydrophobicContact CG-CG1 4.39Å; L60-V66 PolarHBondContact O-N 2.86Å; L60-V66 VanDerWaalsContact O-N 3.17Å |
| 61 | A | 97.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 21.6 Ų | 21.6 | 12% | 0.116 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -77.3 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A57 R58 L59 G64 V66 L68 W207 | A57-A61 WeakPolarHBondContact O-CB 3.41Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A61 VanDerWaalsContact O-N 3.17Å; R58-A61 PolarHBondContact O-N 3.45Å; R58-A61 VanDerWaalsContact O-N 3.12Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.86Å; A61-G64 PolarHBondContact O-N 2.9Å; A61-V66 HydrophobicContact CB-CG2 4.34Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; A61-L68 HydrophobicContact CB-CD2 4.34Å; A61-L68 HydrophobicContact CB-CG 3.93Å; A61-W207 VanDerWaalsContact CB-CD1 3.46Å; A61-W207 HydrophobicContact CB-CG 4.26Å |
| 62 | E | 97.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 23.8 Ų | 23.8 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 178.2 | -171 | 176.2 | 143.3 | 0 | 0 | 111.6 | R58 L59 G64 W207 Y226 R230 | R58-E62 IonicContact NE-OE2 3.22Å; R58-E62 WeakPolarHBondContact O-CB 3.49Å; R58-E62 PolarHBondContact O-N 3.03Å; L59-E62 PolarHBondContact O-N 3.34Å; L59-E62 VanDerWaalsContact O-N 3.13Å; E62-G64 PolarHBondContact O-N 2.95Å; E62-W207 HydrophobicContact CB-CH2 4.39Å; E62-W207 HydrophobicContact CB-CZ2 3.95Å; E62-W207 HydrophobicContact CG-CH2 4.18Å; E62-W207 HydrophobicContact CG-CZ2 4.01Å; E62-Y226 VanDerWaalsContact CD-OH 3.24Å; E62-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E62-Y226 VanDerWaalsContact OE2-CZ 3.3Å; E62-Y226 PolarHBondContact OE2-OH 3.29Å; E62-R230 IonicContact OE1-CZ 3.07Å; E62-R230 IonicContact OE1-NH1 3.23Å; E62-R230 PolarHBondContact OE1-NH1 3.36Å |
| 63 | I | 96.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 28.7 Ų | 28.7 | 40% | 0.395 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.4 | 176 | 71.6 | 178.7 | 0 | 0 | 0 | 113.4 | L26 L59 L60 A65 W233 | L26-I63 HydrophobicContact CD2-CD1 4.3Å; L59-I63 HydrophobicContact CD1-CG2 4.14Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.24Å; L60-I63 HydrophobicContact CD2-CD1 4.43Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 HydrophobicContact CD1-CB 3.91Å; I63-A65 HydrophobicContact CG1-CB 3.77Å; I63-A65 PolarHBondContact O-N 2.99Å; I63-W233 HydrophobicContact CD1-CH2 4.46Å |
| 64 | G | 96 | Very high | 92.9 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 11.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A61 E62 | A61-G64 PolarHBondContact O-N 2.9Å; E62-G64 PolarHBondContact O-N 2.95Å |
| 65 | A | 96.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 34 Ų | 34 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72.2 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2 L26 L60 I63 | L2-A65 PolarHBondContact N-O 3.26Å; L26-A65 HydrophobicContact CD1-CB 3.56Å; L26-A65 HydrophobicContact CD2-CB 4.42Å; L60-A65 HydrophobicContact CD2-CB 4.37Å; L60-A65 PolarHBondContact O-N 3.01Å; I63-A65 VanDerWaalsContact C-N 3.26Å; I63-A65 HydrophobicContact CD1-CB 3.91Å; I63-A65 HydrophobicContact CG1-CB 3.77Å; I63-A65 PolarHBondContact O-N 2.99Å |
| 66 | V | 95.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.7 | -177.2 | -43.6 | 0 | 0 | 0 | 0 | 112.4 | L2 V4 L22 L60 A61 L68 | L2-V66 HydrophobicContact CB-CB 4.47Å; L2-V66 HydrophobicContact CB-CG1 4.02Å; L2-V66 CarbonylContact O-C 3.55Å; L2-V66 VanDerWaalsContact O-CA 3.27Å; L2-V66 WeakPolarHBondContact O-CA 3.44Å; V4-V66 HydrophobicContact CB-CG2 4.48Å; V4-V66 HydrophobicContact CG2-CB 3.87Å; V4-V66 HydrophobicContact CG2-CG1 4.13Å; V4-V66 HydrophobicContact CG2-CG2 3.75Å; L22-V66 HydrophobicContact CD2-CG1 3.97Å; L60-V66 HydrophobicContact CB-CB 4.36Å; L60-V66 HydrophobicContact CB-CG1 3.82Å; L60-V66 HydrophobicContact CB-CG2 3.59Å; L60-V66 HydrophobicContact CD1-CG1 4.22Å; L60-V66 HydrophobicContact CD2-CG1 4.41Å; L60-V66 HydrophobicContact CG-CG1 4.39Å; L60-V66 PolarHBondContact O-N 2.86Å; L60-V66 VanDerWaalsContact O-N 3.17Å; A61-V66 HydrophobicContact CB-CG2 4.34Å; V66-L68 HydrophobicContact CG2-CD2 4.06Å |
| 67 | T | 94.4 | Very high | 89.5 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.7 | 166 | -52.2 | 0 | 0 | 0 | 0 | 108.9 | M1 L2 V4 V69 | M1-T67 PolarHBondContact SD-OG1 2.98Å; L2-T67 PolarHBondContact O-N 3.23Å; V4-T67 PolarHBondContact N-O 2.86Å; T67-V69 HydrophobicContact CG2-CG1 4.09Å |
| 68 | L | 95.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.3 | 168.9 | -55.4 | -169.5 | 0 | 0 | 0 | 108.7 | V4 V6 A57 A61 V66 L205 W207 W214 | V4-L68 HydrophobicContact CB-CD2 3.68Å; V4-L68 HydrophobicContact CG1-CD2 3.82Å; V4-L68 HydrophobicContact CG2-CD2 4.32Å; V4-L68 CarbonylContact O-C 3.5Å; V4-L68 WeakPolarHBondContact O-CA 3.21Å; V6-L68 HydrophobicContact CG2-CB 3.94Å; V6-L68 HydrophobicContact CG2-CD1 4.26Å; V6-L68 HydrophobicContact CG2-CD2 4.23Å; V6-L68 HydrophobicContact CG2-CG 4.37Å; A57-L68 HydrophobicContact CB-CD2 4.42Å; A61-L68 HydrophobicContact CB-CD1 4.22Å; A61-L68 HydrophobicContact CB-CD2 4.34Å; A61-L68 HydrophobicContact CB-CG 3.93Å; V66-L68 HydrophobicContact CG2-CD2 4.06Å; L68-L205 HydrophobicContact CB-CB 4.13Å; L68-L205 HydrophobicContact CB-CD2 4.07Å; L68-L205 HydrophobicContact CD1-CD2 3.98Å; L68-L205 PolarHBondContact O-N 2.89Å; L68-W207 HydrophobicContact CD1-CB 3.89Å; L68-W214 HydrophobicContact CD1-CE3 4.29Å; L68-W214 HydrophobicContact CD1-CH2 4.42Å; L68-W214 HydrophobicContact CD1-CZ3 4.15Å |
| 69 | V | 93.9 | Very high | 87.4 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 143.8 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | V3 V4 E5 V6 T67 A202 K203 | V3-V69 HydrophobicContact CG1-CB 4.38Å; V3-V69 HydrophobicContact CG1-CG1 3.98Å; V3-V69 HydrophobicContact CG1-CG2 3.45Å; V3-V69 VanDerWaalsContact CG1-CG2 3.45Å; V4-V69 PolarHBondContact O-N 3.46Å; E5-V69 CarbonylContact C-O 3.03Å; E5-V69 WeakPolarHBondContact CA-O 3.1Å; E5-V69 HydrophobicContact CB-CG2 4.48Å; V6-V69 PolarHBondContact N-O 3.48Å; T67-V69 HydrophobicContact CG2-CG1 4.09Å; V69-A202 HydrophobicContact CB-CB 3.94Å; V69-A202 HydrophobicContact CG2-CB 3.91Å; V69-K203 CarbonylContact C-O 3.51Å; V69-K203 WeakPolarHBondContact CA-O 3.37Å; V69-K203 WeakPolarHBondContact CB-O 3.31Å |
| 70 | S | 91.9 | Very high | 86.7 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.4 | 169.3 | 169 | 0 | 0 | 0 | 0 | 109.9 | A202 K203 D213 | S70-A202 WeakPolarHBondContact O-CA 3.44Å; S70-K203 PolarHBondContact N-O 2.8Å; S70-K203 PolarHBondContact O-N 3.4Å; S70-D213 PolarHBondContact OG-OD2 2.97Å |
| 71 | A | 84.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 134 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R73 P199 | A71-R73 PolarHBondContact O-N 2.93Å; A71-P199 HydrophobicContact CB-CB 3.86Å; A71-P199 HydrophobicContact CB-CG 4.16Å |
| 72 | P | 78.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 133.8 | 174.9 | 22.7 | -30.4 | 0 | 0 | 0 | 110 | K201 | P72-K201 WeakPolarHBondContact CD-O 3.24Å; P72-K201 HydrophobicContact CG-CB 3.76Å |
| 73 | R | 75.7 | Confident | 84.7 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 42% | 0.415 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 128.8 | 178.9 | -58.3 | 179.7 | -160.4 | -155.3 | -0.9 | 108.5 | N8 A71 D213 | N8-R73 PolarHBondContact OD1-NH1 2.93Å; N8-R73 PolarHBondContact OD1-NH2 2.87Å; A71-R73 PolarHBondContact O-N 2.93Å; R73-D213 IonicContact CZ-OD1 3.54Å; R73-D213 IonicContact NH2-OD1 2.94Å; R73-D213 PolarHBondContact NH2-OD1 3.1Å |
| 74 | P | 71.4 | Confident | 84.3 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 141.7 | 169.9 | -14.8 | 26.9 | 0 | 0 | 0 | 109.2 | P76 H79 | P74-P76 WeakPolarHBondContact O-CD 3.26Å; P74-H79 PolarHBondContact O-CE1 2.88Å |
| 75 | D | 74.8 | Confident | 83.9 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 125.5 | 173.4 | 177 | -3.8 | 0 | 0 | 0 | 108.6 | R77 S78 H79 | D75-R77 PolarHBondContact O-N 2.91Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.5Å; D75-R77 PolarHBondContact OD1-N 3.48Å; D75-S78 PolarHBondContact N-OG 3.36Å; D75-S78 WeakPolarHBondContact O-CA 3.37Å; D75-S78 WeakPolarHBondContact O-CB 3.35Å; D75-S78 PolarHBondContact O-N 3.43Å; D75-S78 PolarHBondContact O-OG 3.15Å; D75-H79 PolarHBondContact O-CE1 2.9Å; D75-H79 VanDerWaalsContact O-CE1 3.29Å; D75-H79 PolarHBondContact O-ND1 3.01Å |
| 76 | P | 74.4 | Confident | 83.4 | Confident | 106 Ų | 106 | 72.4 Ų | 72.4 | 69% | 0.688 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -37.9 | -40.3 | 169.6 | -34.1 | 38.7 | 0 | 0 | 0 | 114.1 | P74 S78 H79 | P74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.49Å; P76-H79 VanDerWaalsContact C-ND1 3.33Å; P76-H79 VanDerWaalsContact CA-CE1 3.44Å; P76-H79 WeakPolarHBondContact CA-CE1 3.4Å; P76-H79 WeakPolarHBondContact CA-ND1 3.46Å; P76-H79 WeakPolarHBondContact O-CB 3.45Å; P76-H79 PolarHBondContact O-N 2.96Å; P76-H79 PolarHBondContact O-ND1 3.29Å; P76-H79 VanDerWaalsContact O-ND1 3.07Å |
| 77 | R | 72.5 | Confident | 83.1 | Confident | 231 Ų | 231 | 78 Ų | 78 | 87% | 0.872 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -69.5 | -23.3 | -179.2 | -58.2 | 174.4 | -178.4 | -172 | 0.5 | 113.8 | D75 | D75-R77 PolarHBondContact O-N 2.91Å; D75-R77 WeakPolarHBondContact OD1-CB 3.48Å; D75-R77 WeakPolarHBondContact OD1-CG 3.5Å; D75-R77 PolarHBondContact OD1-N 3.48Å |
| 78 | S | 72.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 84.1 Ų | 84.1 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -86.7 | -1.3 | 177.7 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | D75 P76 G80 | D75-S78 PolarHBondContact N-OG 3.36Å; D75-S78 WeakPolarHBondContact O-CA 3.37Å; D75-S78 WeakPolarHBondContact O-CB 3.35Å; D75-S78 PolarHBondContact O-N 3.43Å; D75-S78 PolarHBondContact O-OG 3.15Å; P76-S78 VanDerWaalsContact C-N 3.28Å; P76-S78 PolarHBondContact O-N 3.49Å; S78-G80 VanDerWaalsContact C-N 3.28Å; S78-G80 PolarHBondContact O-N 3.47Å |
| 79 | H | 80.1 | Confident | 82.6 | Confident | 79 Ų | 79 | 90 Ų | 90 | 37% | 0.366 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.9 | -8.9 | -174.4 | -72.1 | 74.4 | 0 | 0 | 0 | 114.5 | P74 D75 P76 L81 A82 L83 | P74-H79 PolarHBondContact O-CE1 2.88Å; D75-H79 PolarHBondContact O-CE1 2.9Å; D75-H79 VanDerWaalsContact O-CE1 3.29Å; D75-H79 PolarHBondContact O-ND1 3.01Å; P76-H79 VanDerWaalsContact C-ND1 3.33Å; P76-H79 VanDerWaalsContact CA-CE1 3.44Å; P76-H79 WeakPolarHBondContact CA-CE1 3.4Å; P76-H79 WeakPolarHBondContact CA-ND1 3.46Å; P76-H79 WeakPolarHBondContact O-CB 3.45Å; P76-H79 PolarHBondContact O-N 2.96Å; P76-H79 PolarHBondContact O-ND1 3.29Å; P76-H79 VanDerWaalsContact O-ND1 3.07Å; H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; H79-A82 PolarHBondContact O-N 3.29Å; H79-A82 VanDerWaalsContact O-N 3.12Å; H79-L83 WeakPolarHBondContact O-CB 3.46Å; H79-L83 PolarHBondContact O-N 3.43Å |
| 80 | G | 83.8 | Confident | 82.3 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 55% | 0.546 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.2 | -46.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S78 L83 A84 | S78-G80 VanDerWaalsContact C-N 3.28Å; S78-G80 PolarHBondContact O-N 3.47Å; G80-L83 PolarHBondContact O-N 3Å; G80-A84 WeakPolarHBondContact O-CB 3.34Å; G80-A84 PolarHBondContact O-N 2.85Å |
| 81 | L | 83.3 | Confident | 82.3 | Confident | 149 Ų | 149 | 94.9 Ų | 94.9 | 78% | 0.78 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.8 | -38.6 | 177 | -67.7 | 173.3 | 0 | 0 | 0 | 112.4 | H79 A84 S85 | H79-L81 VanDerWaalsContact C-N 3.33Å; H79-L81 PolarHBondContact O-N 2.99Å; L81-A84 PolarHBondContact O-N 2.92Å; L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.25Å; L81-S85 PolarHBondContact O-OG 3.07Å |
| 82 | A | 80.4 | Confident | 82.7 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H79 S85 F86 | H79-A82 PolarHBondContact O-N 3.29Å; H79-A82 VanDerWaalsContact O-N 3.12Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-OG 3.46Å; A82-F86 VanDerWaalsContact O-CB 3.27Å; A82-F86 WeakPolarHBondContact O-CB 3.27Å; A82-F86 PolarHBondContact O-N 2.95Å |
| 83 | L | 86.3 | Confident | 83.3 | Confident | 92 Ų | 92 | 97 Ų | 97 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 176.5 | -176.3 | 66.7 | 0 | 0 | 0 | 111.3 | H79 G80 F86 K87 | H79-L83 WeakPolarHBondContact O-CB 3.46Å; H79-L83 PolarHBondContact O-N 3.43Å; G80-L83 PolarHBondContact O-N 3Å; L83-F86 PolarHBondContact O-N 3.19Å; L83-K87 HydrophobicContact CG-CD 4.43Å; L83-K87 WeakPolarHBondContact O-CB 3.36Å; L83-K87 WeakPolarHBondContact O-CG 3.5Å; L83-K87 PolarHBondContact O-N 2.96Å |
| 84 | A | 88.6 | Confident | 84 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G80 L81 K87 R88 | G80-A84 WeakPolarHBondContact O-CB 3.34Å; G80-A84 PolarHBondContact O-N 2.85Å; L81-A84 PolarHBondContact O-N 2.92Å; A84-K87 PolarHBondContact O-N 3.22Å; A84-R88 WeakPolarHBondContact O-CB 3.3Å; A84-R88 PolarHBondContact O-N 2.92Å |
| 85 | S | 86.9 | Confident | 85 | Confident | 65 Ų | 65 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 174.8 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | L81 A82 R88 Q89 | L81-S85 WeakPolarHBondContact O-CB 3.4Å; L81-S85 PolarHBondContact O-N 3.25Å; L81-S85 PolarHBondContact O-OG 3.07Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-OG 3.46Å; S85-R88 PolarHBondContact O-N 3.45Å; S85-Q89 WeakPolarHBondContact O-CB 3.45Å; S85-Q89 PolarHBondContact O-N 3.45Å |
| 86 | F | 85.4 | Confident | 85.9 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 174.4 | 176.5 | -101.5 | 0 | 0 | 0 | 112.5 | A82 L83 R88 Q89 Q90 | A82-F86 VanDerWaalsContact O-CB 3.27Å; A82-F86 WeakPolarHBondContact O-CB 3.27Å; A82-F86 PolarHBondContact O-N 2.95Å; L83-F86 PolarHBondContact O-N 3.19Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.86Å; F86-Q89 PolarHBondContact O-N 3.2Å; F86-Q90 WeakPolarHBondContact O-CB 3.4Å; F86-Q90 PolarHBondContact O-N 3.2Å |
| 87 | K | 89.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 92.9 Ų | 92.9 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.6 | -76 | 179 | 177 | -176 | 0 | 112 | L83 A84 Q90 E91 | L83-K87 HydrophobicContact CG-CD 4.43Å; L83-K87 WeakPolarHBondContact O-CB 3.36Å; L83-K87 WeakPolarHBondContact O-CG 3.5Å; L83-K87 PolarHBondContact O-N 2.96Å; A84-K87 PolarHBondContact O-N 3.22Å; K87-Q90 PolarHBondContact O-N 3.46Å; K87-E91 PolarHBondContact O-N 3.22Å |
| 88 | R | 91.1 | Very high | 87.6 | Confident | 170 Ų | 170 | 83.5 Ų | 83.5 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 175.8 | -172.9 | -174.8 | -62 | 165.5 | -0.4 | 111.3 | A84 S85 F86 Q90 E91 Q92 | A84-R88 WeakPolarHBondContact O-CB 3.3Å; A84-R88 PolarHBondContact O-N 2.92Å; S85-R88 PolarHBondContact O-N 3.45Å; F86-R88 VanDerWaalsContact C-N 3.32Å; F86-R88 PolarHBondContact O-N 2.86Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; R88-Q90 PolarHBondContact O-N 2.87Å; R88-E91 PolarHBondContact O-N 3.35Å; R88-Q92 WeakPolarHBondContact O-CG 3.32Å; R88-Q92 PolarHBondContact O-N 3.15Å |
| 89 | Q | 88.3 | Confident | 88.6 | Confident | 127 Ų | 127 | 82.8 Ų | 82.8 | 59% | 0.593 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 177.4 | -172.5 | -178.9 | 8.8 | 0 | 0 | 111.8 | S85 F86 E91 Q92 S93 | S85-Q89 WeakPolarHBondContact O-CB 3.45Å; S85-Q89 PolarHBondContact O-N 3.45Å; F86-Q89 PolarHBondContact O-N 3.2Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; Q89-Q92 PolarHBondContact O-N 2.98Å; Q89-S93 WeakPolarHBondContact O-CB 3.36Å; Q89-S93 PolarHBondContact O-N 3.39Å |
| 90 | Q | 88.3 | Confident | 89.1 | Confident | 78 Ų | 78 | 84.1 Ų | 84.1 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 176 | -170.4 | -176.5 | 45 | 0 | 0 | 111.5 | F86 K87 R88 S93 F94 L188 | F86-Q90 WeakPolarHBondContact O-CB 3.4Å; F86-Q90 PolarHBondContact O-N 3.2Å; K87-Q90 PolarHBondContact O-N 3.46Å; R88-Q90 VanDerWaalsContact C-N 3.33Å; R88-Q90 PolarHBondContact O-N 2.87Å; Q90-S93 PolarHBondContact O-N 3.45Å; Q90-F94 WeakPolarHBondContact O-CB 3.17Å; Q90-F94 PolarHBondContact O-N 3.01Å; Q90-L188 HydrophobicContact CG-CD2 3.58Å |
| 91 | E | 92 | Very high | 89.4 | Confident | 61 Ų | 61 | 82.6 Ų | 82.6 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 177.6 | -169.7 | 61 | -154.9 | 0 | 0 | 111.9 | K87 R88 Q89 S93 F94 Q95 R185 | K87-E91 PolarHBondContact O-N 3.22Å; R88-E91 PolarHBondContact O-N 3.35Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; E91-S93 PolarHBondContact O-N 2.71Å; E91-F94 PolarHBondContact O-N 2.99Å; E91-Q95 WeakPolarHBondContact O-CG 3.27Å; E91-Q95 PolarHBondContact O-N 2.88Å; E91-R185 VanDerWaalsContact CD-NH2 3.34Å; E91-R185 IonicContact OE1-NH2 3.67Å; E91-R185 PolarHBondContact OE1-NH2 2.93Å; E91-R185 VanDerWaalsContact OE1-NH2 3.07Å; E91-R185 IonicContact OE2-CZ 2.69Å; E91-R185 VanDerWaalsContact OE2-CZ 3.29Å; E91-R185 IonicContact OE2-NH1 3.35Å; E91-R185 PolarHBondContact OE2-NH1 3.39Å; E91-R185 IonicContact OE2-NH2 3.38Å; E91-R185 PolarHBondContact OE2-NH2 2.96Å |
| 92 | Q | 92 | Very high | 89.7 | Confident | 101 Ų | 101 | 77.4 Ų | 77.4 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 174.2 | -74.7 | 174.6 | -27.5 | 0 | 0 | 111.4 | R88 Q89 F94 Q95 E96 | R88-Q92 WeakPolarHBondContact O-CG 3.32Å; R88-Q92 PolarHBondContact O-N 3.15Å; Q89-Q92 PolarHBondContact O-N 2.98Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.41Å; Q92-Q95 WeakPolarHBondContact O-CB 3.33Å; Q92-Q95 PolarHBondContact O-N 3.16Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q92-E96 WeakPolarHBondContact O-CG 3.25Å; Q92-E96 PolarHBondContact O-N 2.81Å |
| 93 | S | 91.1 | Very high | 90.3 | Very high | 35 Ų | 35 | 80.4 Ų | 80.4 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.8 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | Q89 Q90 E91 Q97 | Q89-S93 WeakPolarHBondContact O-CB 3.36Å; Q89-S93 PolarHBondContact O-N 3.39Å; Q90-S93 PolarHBondContact O-N 3.45Å; E91-S93 PolarHBondContact O-N 2.71Å; S93-Q97 VanDerWaalsContact O-CB 3.31Å; S93-Q97 WeakPolarHBondContact O-CB 3.49Å; S93-Q97 WeakPolarHBondContact O-CG 3.2Å; S93-Q97 PolarHBondContact O-N 3.05Å; S93-Q97 PolarHBondContact OG-NE2 2.88Å |
| 94 | F | 91.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 78.9 Ų | 78.9 | 13% | 0.132 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 173.7 | 178.3 | -105 | 0 | 0 | 0 | 112.2 | Q90 E91 Q92 Q97 S98 L183 R185 L188 | Q90-F94 WeakPolarHBondContact O-CB 3.17Å; Q90-F94 PolarHBondContact O-N 3.01Å; E91-F94 PolarHBondContact O-N 2.99Å; Q92-F94 VanDerWaalsContact C-N 3.29Å; Q92-F94 PolarHBondContact O-N 3.41Å; F94-Q97 PolarHBondContact O-N 3.5Å; F94-S98 WeakPolarHBondContact O-CB 3.42Å; F94-S98 PolarHBondContact O-N 2.88Å; F94-L183 HydrophobicContact CE2-CD2 4.4Å; F94-L183 WeakPolarHBondContact CE2-O 3.32Å; F94-L183 VanDerWaalsContact CZ-O 3.32Å; F94-L183 WeakPolarHBondContact CZ-O 3.48Å; F94-R185 HydrophobicContact CD2-CG 4.27Å; F94-R185 HydrophobicContact CE1-CG 4.31Å; F94-R185 HydrophobicContact CE2-CB 4.38Å; F94-R185 HydrophobicContact CE2-CG 3.77Å; F94-R185 HydrophobicContact CZ-CG 3.79Å; F94-L188 HydrophobicContact CB-CD1 3.86Å; F94-L188 HydrophobicContact CB-CD2 4.45Å; F94-L188 HydrophobicContact CD2-CB 4.48Å; F94-L188 HydrophobicContact CD2-CD1 4.11Å |
| 95 | Q | 92.6 | Very high | 90.4 | Very high | 115 Ų | 115 | 81.1 Ų | 81.1 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.6 | -70 | 173.1 | 3.9 | 0 | 0 | 111.4 | E91 Q92 S98 S99 | E91-Q95 WeakPolarHBondContact O-CG 3.27Å; E91-Q95 PolarHBondContact O-N 2.88Å; Q92-Q95 WeakPolarHBondContact O-CB 3.33Å; Q92-Q95 PolarHBondContact O-N 3.16Å; Q92-Q95 VanDerWaalsContact O-N 3.15Å; Q95-S98 PolarHBondContact O-N 2.93Å; Q95-S99 PolarHBondContact O-N 3.43Å |
| 96 | E | 92.5 | Very high | 90.6 | Very high | 121 Ų | 121 | 81.2 Ų | 81.2 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 176.5 | -70.7 | 171.6 | -176.1 | 0 | 0 | 112.2 | Q92 S98 S99 L100 | Q92-E96 WeakPolarHBondContact O-CG 3.25Å; Q92-E96 PolarHBondContact O-N 2.81Å; E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.88Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact O-OG 2.82Å; E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.81Å |
| 97 | Q | 92 | Very high | 91 | Very high | 34 Ų | 34 | 79.1 Ų | 79.1 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 178.3 | -72.3 | 179.5 | 49.9 | 0 | 0 | 112.2 | S93 F94 A101 L183 L189 | S93-Q97 VanDerWaalsContact O-CB 3.31Å; S93-Q97 WeakPolarHBondContact O-CB 3.49Å; S93-Q97 WeakPolarHBondContact O-CG 3.2Å; S93-Q97 PolarHBondContact O-N 3.05Å; S93-Q97 PolarHBondContact OG-NE2 2.88Å; F94-Q97 PolarHBondContact O-N 3.5Å; Q97-A101 WeakPolarHBondContact O-CB 3.06Å; Q97-A101 PolarHBondContact O-N 2.78Å; Q97-L183 HydrophobicContact CB-CD2 3.82Å; Q97-L189 PolarHBondContact NE2-O 3.34Å; Q97-L189 VanDerWaalsContact OE1-CB 3.22Å |
| 98 | S | 91.5 | Very high | 91 | Very high | 33 Ų | 33 | 81.4 Ų | 81.4 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | F94 Q95 E96 A102 | F94-S98 WeakPolarHBondContact O-CB 3.42Å; F94-S98 PolarHBondContact O-N 2.88Å; Q95-S98 PolarHBondContact O-N 2.93Å; E96-S98 VanDerWaalsContact C-N 3.31Å; E96-S98 PolarHBondContact O-N 2.88Å; S98-A102 WeakPolarHBondContact O-CB 3.46Å; S98-A102 PolarHBondContact O-N 3.12Å |
| 99 | S | 92.4 | Very high | 90.9 | Very high | 57 Ų | 57 | 79.9 Ų | 79.9 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | 175.4 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | Q95 E96 A101 A102 E103 | Q95-S99 PolarHBondContact O-N 3.43Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact O-OG 2.82Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.91Å; S99-A102 WeakPolarHBondContact O-CB 3.48Å; S99-A102 PolarHBondContact O-N 3.46Å; S99-A102 VanDerWaalsContact O-N 3.11Å; S99-E103 WeakPolarHBondContact O-CG 3.44Å; S99-E103 PolarHBondContact O-N 3.31Å |
| 100 | L | 92.1 | Very high | 91.1 | Very high | 106 Ų | 106 | 79 Ų | 79 | 56% | 0.555 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.1 | -37.4 | 176.9 | -69.6 | 172 | 0 | 0 | 0 | 112.6 | E96 A104 | E96-L100 WeakPolarHBondContact O-CG 3.46Å; E96-L100 PolarHBondContact O-N 2.81Å; L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.47Å |
| 101 | A | 89.8 | Confident | 91.4 | Very high | 21 Ų | 21 | 79.8 Ų | 79.8 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q97 S99 R105 L183 | Q97-A101 WeakPolarHBondContact O-CB 3.06Å; Q97-A101 PolarHBondContact O-N 2.78Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 2.91Å; A101-R105 WeakPolarHBondContact O-CB 3.43Å; A101-R105 WeakPolarHBondContact O-CD 3.34Å; A101-R105 WeakPolarHBondContact O-CG 3.27Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.13Å; A101-L183 HydrophobicContact CB-CB 4.42Å; A101-L183 HydrophobicContact CB-CD1 4.17Å |
| 102 | A | 90.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | S98 S99 R105 E106 | S98-A102 WeakPolarHBondContact O-CB 3.46Å; S98-A102 PolarHBondContact O-N 3.12Å; S99-A102 WeakPolarHBondContact O-CB 3.48Å; S99-A102 PolarHBondContact O-N 3.46Å; S99-A102 VanDerWaalsContact O-N 3.11Å; A102-R105 PolarHBondContact O-N 3.22Å; A102-E106 PolarHBondContact O-N 2.99Å |
| 103 | E | 92.1 | Very high | 91.5 | Very high | 114 Ų | 114 | 81.1 Ų | 81.1 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.3 | -51 | 175.2 | -71.5 | 171.1 | -164.3 | 0 | 0 | 111.6 | S99 R105 E106 T107 | S99-E103 WeakPolarHBondContact O-CG 3.44Å; S99-E103 PolarHBondContact O-N 3.31Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.65Å; E103-E106 WeakPolarHBondContact O-CB 3.38Å; E103-E106 PolarHBondContact O-N 3.25Å; E103-T107 PolarHBondContact O-N 3.15Å; E103-T107 PolarHBondContact O-OG1 3.4Å; E103-T107 VanDerWaalsContact O-OG1 3.07Å |
| 104 | A | 90.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 85.4 Ų | 85.4 | 50% | 0.496 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -34 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L100 R108 | L100-A104 VanDerWaalsContact O-CB 3.27Å; L100-A104 WeakPolarHBondContact O-CB 3.46Å; L100-A104 PolarHBondContact O-N 3.47Å; A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.14Å |
| 105 | R | 88 | Confident | 91.6 | Very high | 97 Ų | 97 | 90.3 Ų | 90.3 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 174 | -73.5 | 169.7 | -164.7 | 153.6 | -8.8 | 111.5 | A101 A102 E103 R108 R109 T181 | A101-R105 WeakPolarHBondContact O-CB 3.43Å; A101-R105 WeakPolarHBondContact O-CD 3.34Å; A101-R105 WeakPolarHBondContact O-CG 3.27Å; A101-R105 PolarHBondContact O-N 3.3Å; A101-R105 VanDerWaalsContact O-N 3.13Å; A102-R105 PolarHBondContact O-N 3.22Å; E103-R105 VanDerWaalsContact C-N 3.28Å; E103-R105 PolarHBondContact O-N 2.65Å; R105-R108 PolarHBondContact O-N 2.86Å; R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.3Å; R105-T181 PolarHBondContact NH1-O 3.03Å; R105-T181 PolarHBondContact NH2-O 2.88Å |
| 106 | E | 90.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 89.1 Ų | 89.1 | 31% | 0.313 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 176.8 | -177.2 | 54.9 | -141.2 | 0 | 0 | 111 | A102 E103 R108 R109 Q110 | A102-E106 PolarHBondContact O-N 2.99Å; E103-E106 WeakPolarHBondContact O-CB 3.38Å; E103-E106 PolarHBondContact O-N 3.25Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.46Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 IonicContact OE1-CZ 3.35Å; E106-R109 IonicContact OE1-NE 3.52Å; E106-R109 PolarHBondContact OE1-NE 3.23Å; E106-R109 IonicContact OE1-NH2 2.8Å; E106-R109 PolarHBondContact OE1-NH2 3.36Å; E106-R109 IonicContact OE2-CZ 3.76Å; E106-R109 IonicContact OE2-NE 3.54Å; E106-R109 PolarHBondContact OE2-NE 3.13Å; E106-R109 VanDerWaalsContact OE2-NE 3.11Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-R109 PolarHBondContact OE2-NH2 3Å; E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 3.08Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å |
| 107 | T | 92.8 | Very high | 91.7 | Very high | 70 Ų | 70 | 86 Ų | 86 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 174.9 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | E103 R109 Q110 E111 | E103-T107 PolarHBondContact O-N 3.15Å; E103-T107 PolarHBondContact O-OG1 3.4Å; E103-T107 VanDerWaalsContact O-OG1 3.07Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.45Å; T107-Q110 PolarHBondContact O-N 2.9Å; T107-Q110 VanDerWaalsContact O-N 3.15Å; T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.96Å |
| 108 | R | 90.4 | Very high | 91.7 | Very high | 172 Ų | 172 | 90 Ų | 90 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 178.3 | -172.7 | 175.6 | -176.2 | -173.1 | 0.5 | 112.5 | A104 R105 E106 L112 | A104-R108 VanDerWaalsContact O-CB 3.3Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.14Å; R105-R108 PolarHBondContact O-N 2.86Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 3.46Å; R108-L112 HydrophobicContact CG-CD1 4.11Å; R108-L112 WeakPolarHBondContact O-CB 3.12Å; R108-L112 WeakPolarHBondContact O-CD1 3.4Å; R108-L112 WeakPolarHBondContact O-CG 3.03Å; R108-L112 PolarHBondContact O-N 3.17Å |
| 109 | R | 89.6 | Confident | 91.7 | Very high | 138 Ų | 138 | 90.4 Ų | 90.4 | 52% | 0.521 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 175.3 | -177 | -178.1 | 69.8 | 144.5 | -2.5 | 110.7 | R105 E106 T107 L112 L113 | R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.3Å; E106-R109 WeakPolarHBondContact O-CB 3.33Å; E106-R109 PolarHBondContact O-N 3.42Å; E106-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 IonicContact OE1-CZ 3.35Å; E106-R109 IonicContact OE1-NE 3.52Å; E106-R109 PolarHBondContact OE1-NE 3.23Å; E106-R109 IonicContact OE1-NH2 2.8Å; E106-R109 PolarHBondContact OE1-NH2 3.36Å; E106-R109 IonicContact OE2-CZ 3.76Å; E106-R109 IonicContact OE2-NE 3.54Å; E106-R109 PolarHBondContact OE2-NE 3.13Å; E106-R109 VanDerWaalsContact OE2-NE 3.11Å; E106-R109 IonicContact OE2-NH2 2.73Å; E106-R109 PolarHBondContact OE2-NH2 3Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 3.45Å; R109-L112 PolarHBondContact O-N 3.17Å; R109-L113 HydrophobicContact CG-CD1 4.26Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 3.29Å |
| 110 | Q | 92.5 | Very high | 91.6 | Very high | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.3 | -68.8 | 173.6 | 7.6 | 0 | 0 | 111.5 | E106 T107 L112 L113 E114 | E106-Q110 WeakPolarHBondContact O-CG 3.3Å; E106-Q110 PolarHBondContact O-N 3.08Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; T107-Q110 PolarHBondContact O-N 2.9Å; T107-Q110 VanDerWaalsContact O-N 3.15Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.89Å; Q110-L113 PolarHBondContact O-N 3.22Å; Q110-L113 VanDerWaalsContact O-N 3.15Å; Q110-E114 PolarHBondContact O-N 3.02Å |
| 111 | E | 93.4 | Very high | 91.6 | Very high | 94 Ų | 94 | 91.3 Ų | 91.3 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -39.1 | 175.1 | -70.4 | 174 | -172.5 | 0 | 0 | 112.8 | T107 K115 | T107-E111 WeakPolarHBondContact O-CG 3.43Å; T107-E111 PolarHBondContact O-N 2.96Å; E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 2.83Å; E111-K115 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 92.3 | Very high | 91.6 | Very high | 90 Ų | 90 | 93 Ų | 93 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 176.3 | -83 | 160.2 | 0 | 0 | 0 | 111.5 | R108 R109 Q110 E114 K115 I116 | R108-L112 HydrophobicContact CG-CD1 4.11Å; R108-L112 WeakPolarHBondContact O-CB 3.12Å; R108-L112 WeakPolarHBondContact O-CD1 3.4Å; R108-L112 WeakPolarHBondContact O-CG 3.03Å; R108-L112 PolarHBondContact O-N 3.17Å; R109-L112 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.3Å; Q110-L112 PolarHBondContact O-N 2.89Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-K115 PolarHBondContact O-N 2.88Å; L112-I116 WeakPolarHBondContact O-CB 2.99Å; L112-I116 WeakPolarHBondContact O-CD1 3.43Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.86Å |
| 113 | L | 93.3 | Very high | 91.5 | Very high | 101 Ų | 101 | 97.9 Ų | 97.9 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177 | -73.1 | 170.4 | 0 | 0 | 0 | 111.5 | R109 Q110 I116 A117 | R109-L113 HydrophobicContact CG-CD1 4.26Å; R109-L113 VanDerWaalsContact O-CG 3.32Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 3.29Å; Q110-L113 PolarHBondContact O-N 3.22Å; Q110-L113 VanDerWaalsContact O-N 3.15Å; L113-I116 PolarHBondContact O-N 2.74Å; L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.02Å |
| 114 | E | 93.9 | Very high | 91.3 | Very high | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -49.4 | 175 | -171.9 | 172.6 | -158.4 | 0 | 0 | 111.1 | Q110 L112 I116 A117 E118 | Q110-E114 PolarHBondContact O-N 3.02Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-I116 VanDerWaalsContact C-N 3.32Å; E114-I116 PolarHBondContact O-N 3.12Å; E114-A117 WeakPolarHBondContact O-CB 3.44Å; E114-A117 PolarHBondContact O-N 2.83Å; E114-A117 VanDerWaalsContact O-N 3.13Å; E114-E118 WeakPolarHBondContact O-CG 3.07Å; E114-E118 PolarHBondContact O-N 3.12Å |
| 115 | K | 92.8 | Very high | 90.9 | Very high | 133 Ų | 133 | 101.6 Ų | 101.6 | 58% | 0.578 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 175.9 | -73.9 | 173.4 | -178.3 | 170.5 | 0 | 113.5 | E111 L112 G119 | E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 2.83Å; E111-K115 VanDerWaalsContact O-N 3.08Å; L112-K115 PolarHBondContact O-N 2.88Å; K115-G119 PolarHBondContact O-N 2.75Å |
| 116 | I | 93.4 | Very high | 90.7 | Very high | 89 Ų | 89 | 103.9 Ų | 103.9 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.8 | -70.1 | 163.2 | 0 | 0 | 0 | 109.8 | L112 L113 E114 G119 Q120 | L112-I116 WeakPolarHBondContact O-CB 2.99Å; L112-I116 WeakPolarHBondContact O-CD1 3.43Å; L112-I116 WeakPolarHBondContact O-CG1 3.42Å; L112-I116 PolarHBondContact O-N 2.86Å; L113-I116 PolarHBondContact O-N 2.74Å; E114-I116 VanDerWaalsContact C-N 3.32Å; E114-I116 PolarHBondContact O-N 3.12Å; I116-G119 PolarHBondContact O-N 2.59Å; I116-Q120 HydrophobicContact CG2-CG 4.41Å; I116-Q120 WeakPolarHBondContact O-CB 3.5Å; I116-Q120 VanDerWaalsContact O-CG 3.3Å; I116-Q120 WeakPolarHBondContact O-CG 3.33Å; I116-Q120 PolarHBondContact O-N 2.62Å |
| 117 | A | 93.4 | Very high | 90.2 | Very high | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L113 E114 G119 Q120 A121 | L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.02Å; E114-A117 WeakPolarHBondContact O-CB 3.44Å; E114-A117 PolarHBondContact O-N 2.83Å; E114-A117 VanDerWaalsContact O-N 3.13Å; A117-G119 PolarHBondContact O-N 3.24Å; A117-Q120 PolarHBondContact O-N 3.33Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 2.89Å |
| 118 | E | 92.3 | Very high | 89.4 | Confident | 118 Ų | 118 | 107.4 Ų | 107.4 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.3 | -46.4 | 173.5 | -71.5 | 176.8 | 169 | 0 | 0 | 111.6 | E114 Q120 A121 A122 | E114-E118 WeakPolarHBondContact O-CG 3.07Å; E114-E118 PolarHBondContact O-N 3.12Å; E118-Q120 PolarHBondContact O-N 2.82Å; E118-A121 PolarHBondContact O-N 2.76Å; E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 3.29Å |
| 119 | G | 91.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 106 Ų | 106 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K115 I116 A117 K123 | K115-G119 PolarHBondContact O-N 2.75Å; I116-G119 PolarHBondContact O-N 2.59Å; A117-G119 PolarHBondContact O-N 3.24Å; G119-K123 WeakPolarHBondContact O-CB 3.5Å; G119-K123 PolarHBondContact O-N 3.07Å |
| 120 | Q | 90.6 | Very high | 87.2 | Confident | 132 Ų | 132 | 104.9 Ų | 104.9 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | 175 | -73.8 | 178.5 | -0.5 | 0 | 0 | 112 | I116 A117 E118 K123 K124 | I116-Q120 HydrophobicContact CG2-CG 4.41Å; I116-Q120 WeakPolarHBondContact O-CB 3.5Å; I116-Q120 VanDerWaalsContact O-CG 3.3Å; I116-Q120 WeakPolarHBondContact O-CG 3.33Å; I116-Q120 PolarHBondContact O-N 2.62Å; A117-Q120 PolarHBondContact O-N 3.33Å; E118-Q120 PolarHBondContact O-N 2.82Å; Q120-K123 PolarHBondContact O-N 2.82Å; Q120-K124 PolarHBondContact O-N 2.92Å |
| 121 | A | 90.4 | Very high | 85.5 | Confident | 49 Ų | 49 | 103.7 Ų | 103.7 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A117 E118 K123 K124 Q125 | A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 2.89Å; E118-A121 PolarHBondContact O-N 2.76Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.35Å; A121-K124 PolarHBondContact O-N 3.47Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 3.38Å |
| 122 | A | 90.1 | Very high | 83.5 | Confident | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | E118 Q125 K126 | E118-A122 WeakPolarHBondContact O-CB 3.5Å; E118-A122 PolarHBondContact O-N 3.29Å; A122-Q125 PolarHBondContact O-N 3.34Å; A122-K126 WeakPolarHBondContact O-CB 3.45Å; A122-K126 PolarHBondContact O-N 2.79Å |
| 123 | K | 89.7 | Confident | 81.5 | Confident | 144 Ų | 144 | 101.4 Ų | 101.4 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -41.2 | 175.1 | -172.2 | 177.2 | -179.4 | -178.9 | 0 | 111.7 | G119 Q120 A121 K126 L127 | G119-K123 WeakPolarHBondContact O-CB 3.5Å; G119-K123 PolarHBondContact O-N 3.07Å; Q120-K123 PolarHBondContact O-N 2.82Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.35Å; K123-K126 PolarHBondContact O-N 2.78Å; K123-L127 HydrophobicContact CG-CD1 4.08Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 PolarHBondContact O-N 2.77Å |
| 124 | K | 86.6 | Confident | 79.2 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -45.3 | 177.5 | -166.3 | -173 | -178.7 | -147.6 | 0 | 111.7 | Q120 A121 K126 L127 E128 | Q120-K124 PolarHBondContact O-N 2.92Å; A121-K124 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K124-K126 PolarHBondContact O-N 2.61Å; K124-L127 PolarHBondContact O-N 3.24Å; K124-E128 WeakPolarHBondContact CE-OE1 3.22Å; K124-E128 IonicContact NZ-OE1 2.72Å; K124-E128 PolarHBondContact NZ-OE1 3.48Å; K124-E128 WeakPolarHBondContact O-CG 3.24Å; K124-E128 PolarHBondContact O-N 3.1Å |
| 125 | Q | 82.9 | Confident | 76.5 | Confident | 120 Ų | 120 | 107.1 Ų | 107.1 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.5 | -37.6 | 176 | -71.9 | 177.1 | 3.4 | 0 | 0 | 112.3 | A121 A122 E128 Q129 | A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 3.38Å; A122-Q125 PolarHBondContact O-N 3.34Å; Q125-E128 PolarHBondContact O-N 2.8Å; Q125-Q129 WeakPolarHBondContact O-CB 3.38Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.99Å |
| 126 | K | 83.9 | Confident | 74.1 | Confident | 145 Ų | 145 | 103.2 Ų | 103.2 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.5 | -39.7 | 177.1 | -153.4 | 177.5 | -174.9 | -174.8 | 0 | 112.4 | A122 K123 K124 Q129 D130 | A122-K126 WeakPolarHBondContact O-CB 3.45Å; A122-K126 PolarHBondContact O-N 2.79Å; K123-K126 PolarHBondContact O-N 2.78Å; K124-K126 VanDerWaalsContact C-N 3.29Å; K124-K126 PolarHBondContact O-N 2.61Å; K126-Q129 PolarHBondContact O-N 3.48Å; K126-D130 PolarHBondContact O-N 2.93Å |
| 127 | L | 78.8 | Confident | 71.3 | Confident | 107 Ų | 107 | 108.6 Ų | 108.6 | 56% | 0.56 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.6 | -39.1 | 172.8 | -82.6 | 153.5 | 0 | 0 | 0 | 112.2 | K123 K124 D130 S131 | K123-L127 HydrophobicContact CG-CD1 4.08Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 PolarHBondContact O-N 2.77Å; K124-L127 PolarHBondContact O-N 3.24Å; L127-D130 PolarHBondContact O-N 3.04Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.84Å; L127-S131 PolarHBondContact O-OG 3.17Å; L127-S131 VanDerWaalsContact O-OG 3.09Å |
| 128 | E | 76.8 | Confident | 68.3 | Low | 103 Ų | 103 | 115.3 Ų | 115.3 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.6 | -37.6 | 175.3 | -73.9 | 170.8 | -177.8 | 0 | 0 | 111.4 | K124 Q125 S131 G132 | K124-E128 WeakPolarHBondContact CE-OE1 3.22Å; K124-E128 IonicContact NZ-OE1 2.72Å; K124-E128 PolarHBondContact NZ-OE1 3.48Å; K124-E128 WeakPolarHBondContact O-CG 3.24Å; K124-E128 PolarHBondContact O-N 3.1Å; Q125-E128 PolarHBondContact O-N 2.8Å; E128-S131 WeakPolarHBondContact CA-OG 3.31Å; E128-S131 PolarHBondContact O-OG 2.96Å; E128-G132 PolarHBondContact O-N 3.07Å; E128-G132 VanDerWaalsContact O-N 3.09Å |
| 129 | Q | 68.3 | Low | 65.3 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.2 | -40.4 | 173.5 | -77.9 | 177.5 | 1.4 | 0 | 0 | 113.1 | Q125 K126 G132 A133 | Q125-Q129 WeakPolarHBondContact O-CB 3.38Å; Q125-Q129 WeakPolarHBondContact O-CG 3.43Å; Q125-Q129 PolarHBondContact O-N 2.99Å; K126-Q129 PolarHBondContact O-N 3.48Å; Q129-G132 PolarHBondContact O-N 3.1Å; Q129-A133 PolarHBondContact O-N 2.77Å |
| 130 | D | 64.6 | Low | 62.3 | Low | 114 Ų | 114 | 116.9 Ų | 116.9 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.9 | -36.5 | 175.3 | -83.1 | -15.7 | 0 | 0 | 0 | 111.8 | K126 L127 G132 A133 | K126-D130 PolarHBondContact O-N 2.93Å; L127-D130 PolarHBondContact O-N 3.04Å; D130-G132 VanDerWaalsContact C-N 3.29Å; D130-G132 PolarHBondContact O-N 2.87Å; D130-A133 PolarHBondContact O-N 2.99Å |
| 131 | S | 56.2 | Low | 59.4 | Low | 82 Ų | 82 | 114.5 Ų | 114.5 | 57% | 0.573 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.4 | -21.6 | 175.1 | 63.9 | 0 | 0 | 0 | 0 | 114 | L127 E128 | L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 2.84Å; L127-S131 PolarHBondContact O-OG 3.17Å; L127-S131 VanDerWaalsContact O-OG 3.09Å; E128-S131 WeakPolarHBondContact CA-OG 3.31Å; E128-S131 PolarHBondContact O-OG 2.96Å |
| 132 | G | 52.6 | Low | 56.5 | Low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -6.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E128 Q129 D130 | E128-G132 PolarHBondContact O-N 3.07Å; E128-G132 VanDerWaalsContact O-N 3.09Å; Q129-G132 PolarHBondContact O-N 3.1Å; D130-G132 VanDerWaalsContact C-N 3.29Å; D130-G132 PolarHBondContact O-N 2.87Å |
| 133 | A | 50.7 | Low | 53.6 | Low | 75 Ų | 75 | 124.7 Ų | 124.7 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -97.6 | -7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q129 D130 | Q129-A133 PolarHBondContact O-N 2.77Å; D130-A133 PolarHBondContact O-N 2.99Å |
| 134 | D | 43.6 | Very low | 50.8 | Low | 149 Ų | 149 | 122.2 Ų | 122.2 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -95.4 | -0.3 | -176.3 | -149.4 | 25.7 | 0 | 0 | 0 | 114.1 | ||
| 135 | E | 37.8 | Very low | 48.5 | Very low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -95.1 | 28.2 | 172.8 | -77.5 | -162.6 | 156.1 | 0 | 0 | 113.6 | ||
| 136 | G | 42.1 | Very low | 46 | Very low | 52 Ų | 52 | 125.5 Ų | 125.5 | 54% | 0.536 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -157.7 | 54.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 137 | Q | 35.1 | Very low | 43.2 | Very low | 202 Ų | 202 | 121.8 Ų | 121.8 | 94% | 0.944 | 75% | 0.754 | S | S | * | * | trans | -174.1 | 97.3 | 143.5 | -105.3 | 154.2 | 0.9 | 0 | 0 | 112.7 | ||||
| 138 | E | 29.7 | Very low | 40.8 | Very low | 197 Ų | 197 | 122.7 Ų | 122.7 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -103.1 | 142.2 | 151 | -106.4 | -168 | 162.9 | 0 | 0 | 110.1 | ||||
| 139 | A | 30.4 | Very low | 38.6 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 95.4 | 107 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 140 | G | 27.7 | Very low | 37.3 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 164.8 | 94.9 | 140 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 141 | G | 28.8 | Very low | 35.5 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 110.3 | 106.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 142 | S | 30.9 | Very low | 34.1 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -70.6 | 142.9 | 164.1 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | E | 28.4 | Very low | 32.9 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -163.2 | 128.5 | 139.6 | -112 | 175.2 | -176.8 | 0 | 0 | 110.3 | ||||
| 144 | A | 31.7 | Very low | 31.6 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -97.4 | 154 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 145 | P | 37.2 | Very low | 30.8 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | -146.9 | 154.3 | 95.7 | 33 | -14.1 | 0 | 0 | 0 | 116.5 | |||||
| 146 | Q | 30.1 | Very low | 30.3 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -9.9 | 143.8 | 153.3 | -57.8 | 171.5 | 5.6 | 0 | 0 | 119.5 | ||||
| 147 | G | 25.3 | Very low | 29.5 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 157.1 | 96.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 148 | S | 28.2 | Very low | 29.1 | Very low | 126 Ų | 126 | 122 Ų | 122 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | 77.7 | 104.6 | 136.1 | -40.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 149 | T | 30.8 | Very low | 29 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 171.8 | 138.9 | 7.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 150 | P | 41.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -148.8 | -175.8 | 29.2 | 38.6 | -15 | 0 | 0 | 0 | 117.4 | ||||
| 151 | G | 26.5 | Very low | 28.8 | Very low | 74 Ų | 74 | 126.2 Ų | 126.2 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 126.6 | 107.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 152 | G | 26.6 | Very low | 28.7 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 79.3 | 126.3 | 61.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 153 | E | 27.6 | Very low | 28.7 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | cis | -171.7 | 150.3 | 25.1 | -114.9 | 170.7 | 170.5 | 0 | 0 | 107.8 | ||||
| 154 | T | 24.6 | Very low | 28.6 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | 18.3 | 143 | 135.2 | 62.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 155 | T | 26.4 | Very low | 28.6 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | 174.5 | 136.5 | 55.4 | 11.4 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 156 | D | 26.6 | Very low | 28.1 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | 86.2 | 138.8 | 104.8 | -146.8 | 39.4 | 0 | 0 | 0 | 112.1 | |||||
| 157 | D | 26.1 | Very low | 28 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | cis | -170.8 | 163.6 | 17.6 | -149.6 | -13.6 | 0 | 0 | 0 | 111.1 | ||||
| 158 | G | 25.6 | Very low | 28 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | 70.4 | 135.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 159 | Q | 28.2 | Very low | 28.2 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | cis | -164.6 | 127.9 | 11.4 | -111.4 | 169.2 | -12.1 | 0 | 0 | 108 | ||||
| 160 | A | 25.1 | Very low | 28.2 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -96 | 128.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 161 | N | 28.7 | Very low | 27.7 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 120.2 | 168.1 | -159.1 | 20.9 | 0 | 0 | 0 | 108.6 | ||
| 162 | G | 26.9 | Very low | 28.1 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 144.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 163 | Q | 30.1 | Very low | 28.2 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -127.8 | 113.1 | 146.5 | -74.9 | -175.4 | -14.9 | 0 | 0 | 106.9 | E165 | Q163-E165 PolarHBondContact O-N 2.98Š| ||
| 164 | Q | 28 | Very low | 28.6 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 114.3 | 172.8 | -71.7 | 165 | -30.4 | 0 | 0 | 107.9 | ||||
| 165 | E | 29.8 | Very low | 29 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -106.7 | 120.7 | 153.4 | -79 | -171.2 | 160.8 | 0 | 0 | 107 | Q163 A167 | Q163-E165 PolarHBondContact O-N 2.98Å; E165-A167 PolarHBondContact O-N 2.72Å | ||
| 166 | E | 28.1 | Very low | 29.7 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -56.6 | 114.1 | -179.4 | -69.9 | 175.3 | 141.9 | 0 | 0 | 110.4 | E168 | E166-E168 PolarHBondContact O-N 3.13Å; E166-E168 VanDerWaalsContact O-N 3.13Å | ||
| 167 | A | 27.6 | Very low | 30.5 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -77.9 | 90.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109 | E165 S169 | E165-A167 PolarHBondContact O-N 2.72Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.82Å | ||
| 168 | E | 26.1 | Very low | 31.7 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -67.8 | 97.7 | 156.1 | -85.5 | -167.8 | 157.9 | 0 | 0 | 108.7 | E166 S170 | E166-E168 PolarHBondContact O-N 3.13Å; E166-E168 VanDerWaalsContact O-N 3.13Å; E168-S170 PolarHBondContact O-N 3.37Å | ||
| 169 | S | 31.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -54.1 | 95.7 | 161.8 | 152.1 | 0 | 0 | 0 | 0 | 109.8 | A167 | A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.82Å | ||
| 170 | S | 29.7 | Very low | 34.9 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -128.4 | 102.9 | 156.8 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | E168 | E168-S170 PolarHBondContact O-N 3.37Š| ||
| 171 | S | 32.3 | Very low | 37.4 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -52.5 | 125.3 | 167 | -48.7 | 0 | 0 | 0 | 0 | 109.2 | Q173 | S171-Q173 PolarHBondContact O-N 3.06Š| ||
| 172 | P | 34.8 | Very low | 40 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -74.1 | 101.3 | 171.8 | 8.5 | 3.7 | 0 | 0 | 0 | 107.7 | ||||
| 173 | Q | 29.2 | Very low | 42.8 | Very low | 176 Ų | 176 | 125.6 Ų | 125.6 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -60.5 | 133.4 | 161.8 | -72.5 | -127.8 | -49.6 | 0 | 0 | 108.8 | S171 G175 | S171-Q173 PolarHBondContact O-N 3.06Å; Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3.4Å | ||
| 174 | P | 35.4 | Very low | 45.6 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | trans | -75.9 | 84.7 | 173.4 | 30.8 | -30.1 | 0 | 0 | 0 | 108.3 | ||||
| 175 | G | 31.8 | Very low | 48.4 | Very low | 52 Ų | 52 | 117 Ų | 117 | 54% | 0.536 | 70% | 0.7 | S | S | . | * | trans | -69.3 | 145.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q173 S177 | Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3.4Å; G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 2.94Å | ||
| 176 | P | 42 | Very low | 51.1 | Low | 122 Ų | 122 | 113.8 Ų | 113.8 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | trans | -75.7 | 82.3 | 177 | 32.3 | -31.9 | 0 | 0 | 0 | 108.8 | N178 | P176-N178 PolarHBondContact O-N 3.48Š| ||
| 177 | S | 43.1 | Very low | 53.8 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -77.5 | 82.9 | 165.4 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | G175 G179 | G175-S177 VanDerWaalsContact C-N 3.27Å; G175-S177 PolarHBondContact O-N 2.94Å; S177-G179 PolarHBondContact O-N 3.46Å | ||
| 178 | N | 51.1 | Low | 56.6 | Low | 164 Ų | 164 | 103.5 Ų | 103.5 | 88% | 0.877 | 64% | 0.641 | S | S | * | * | trans | -63.7 | 13.1 | 167.5 | -88.3 | -12.1 | 0 | 0 | 0 | 113.5 | P176 | P176-N178 PolarHBondContact O-N 3.48Š| ||
| 179 | G | 57.2 | Low | 59.3 | Low | 50 Ų | 50 | 99.5 Ų | 99.5 | 52% | 0.515 | 63% | 0.625 | S | S | . | * | trans | -99.4 | 103.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S177 T181 | S177-G179 PolarHBondContact O-N 3.46Å; G179-T181 PolarHBondContact O-N 2.92Å | ||
| 180 | V | 64.7 | Low | 61.4 | Low | 106 Ų | 106 | 99 Ų | 99 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | trans | -53.6 | 115.7 | 162.9 | 176.8 | 0 | 0 | 0 | 0 | 107.3 | P182 | V180-P182 VanDerWaalsContact O-CD 3.25Å; V180-P182 WeakPolarHBondContact O-CD 3.43Å; V180-P182 VanDerWaalsContact O-N 3.1Å | ||
| 181 | T | 77.3 | Confident | 63.3 | Low | 111 Ų | 111 | 103 Ų | 103 | 68% | 0.681 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 116.2 | 178.4 | -38.4 | 0 | 0 | 0 | 0 | 108.3 | R105 G179 | R105-T181 PolarHBondContact NH1-O 3.03Å; R105-T181 PolarHBondContact NH2-O 2.88Å; G179-T181 PolarHBondContact O-N 2.92Å |
| 182 | P | 82.6 | Confident | 65 | Low | 93 Ų | 93 | 102.3 Ų | 102.3 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 156.1 | -176.7 | 24.9 | -32.4 | 0 | 0 | 0 | 110.7 | V180 P184 | V180-P182 VanDerWaalsContact O-CD 3.25Å; V180-P182 WeakPolarHBondContact O-CD 3.43Å; V180-P182 VanDerWaalsContact O-N 3.1Å; P182-P184 WeakPolarHBondContact O-CD 3.21Å |
| 183 | L | 85.9 | Confident | 66.4 | Low | 24 Ų | 24 | 99.2 Ų | 99.2 | 13% | 0.126 | 59% | 0.593 | C | S | . | * | P | Polyproline II helix | trans | -59.5 | 119.5 | 173.2 | -177.1 | 73.2 | 0 | 0 | 0 | 108.6 | F94 Q97 A101 A187 | F94-L183 HydrophobicContact CE2-CD2 4.4Å; F94-L183 WeakPolarHBondContact CE2-O 3.32Å; F94-L183 VanDerWaalsContact CZ-O 3.32Å; F94-L183 WeakPolarHBondContact CZ-O 3.48Å; Q97-L183 HydrophobicContact CB-CD2 3.82Å; A101-L183 HydrophobicContact CB-CB 4.42Å; A101-L183 HydrophobicContact CB-CD1 4.17Å; L183-A187 HydrophobicContact CD1-CB 4.13Å |
| 184 | P | 89.8 | Confident | 68 | Low | 67 Ų | 67 | 94.6 Ų | 94.6 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 142.4 | 179.5 | 27.1 | -32.5 | 0 | 0 | 0 | 109.8 | P182 S186 A187 | P182-P184 WeakPolarHBondContact O-CD 3.21Å; P184-S186 PolarHBondContact O-N 2.86Å; P184-S186 VanDerWaalsContact O-N 3.12Å; P184-A187 HydrophobicContact CG-CB 3.8Å; P184-A187 WeakPolarHBondContact O-CB 3.1Å; P184-A187 PolarHBondContact O-N 2.84Å |
| 185 | R | 86.1 | Confident | 69.5 | Low | 147 Ų | 147 | 91.2 Ų | 91.2 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -56.8 | -29.9 | 179 | -77.6 | -168.2 | 176.3 | -105.6 | -3.9 | 113.1 | E91 F94 A187 L188 | E91-R185 VanDerWaalsContact CD-NH2 3.34Å; E91-R185 IonicContact OE1-NH2 3.67Å; E91-R185 PolarHBondContact OE1-NH2 2.93Å; E91-R185 VanDerWaalsContact OE1-NH2 3.07Å; E91-R185 IonicContact OE2-CZ 2.69Å; E91-R185 VanDerWaalsContact OE2-CZ 3.29Å; E91-R185 IonicContact OE2-NH1 3.35Å; E91-R185 PolarHBondContact OE2-NH1 3.39Å; E91-R185 IonicContact OE2-NH2 3.38Å; E91-R185 PolarHBondContact OE2-NH2 2.96Å; F94-R185 HydrophobicContact CD2-CG 4.27Å; F94-R185 HydrophobicContact CE1-CG 4.31Å; F94-R185 HydrophobicContact CE2-CB 4.38Å; F94-R185 HydrophobicContact CE2-CG 3.77Å; F94-R185 HydrophobicContact CZ-CG 3.79Å; R185-A187 PolarHBondContact O-N 2.9Å; R185-L188 VanDerWaalsContact O-CB 3.32Å; R185-L188 WeakPolarHBondContact O-CB 3.15Å; R185-L188 PolarHBondContact O-N 3.39Å |
| 186 | S | 87.3 | Confident | 71.2 | Confident | 119 Ų | 119 | 94.1 Ų | 94.1 | 83% | 0.832 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -66.4 | -19.8 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | P184 | P184-S186 PolarHBondContact O-N 2.86Å; P184-S186 VanDerWaalsContact O-N 3.12Å |
| 187 | A | 85.3 | Confident | 72.1 | Confident | 47 Ų | 47 | 93.9 Ų | 93.9 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -95.5 | 6.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L183 P184 R185 L189 | L183-A187 HydrophobicContact CD1-CB 4.13Å; P184-A187 HydrophobicContact CG-CB 3.8Å; P184-A187 WeakPolarHBondContact O-CB 3.1Å; P184-A187 PolarHBondContact O-N 2.84Å; R185-A187 PolarHBondContact O-N 2.9Å; A187-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact O-N 3.16Å |
| 188 | L | 85.6 | Confident | 73 | Confident | 29 Ų | 29 | 98.3 Ų | 98.3 | 15% | 0.152 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -58.1 | 119.6 | 175 | 177.8 | 66.2 | 0 | 0 | 0 | 109.8 | Q90 F94 R185 I190 | Q90-L188 HydrophobicContact CG-CD2 3.58Å; F94-L188 HydrophobicContact CB-CD1 3.86Å; F94-L188 HydrophobicContact CB-CD2 4.45Å; F94-L188 HydrophobicContact CD2-CB 4.48Å; F94-L188 HydrophobicContact CD2-CD1 4.11Å; R185-L188 VanDerWaalsContact O-CB 3.32Å; R185-L188 WeakPolarHBondContact O-CB 3.15Å; R185-L188 PolarHBondContact O-N 3.39Å; L188-I190 PolarHBondContact O-N 3.3Å |
| 189 | L | 82.8 | Confident | 73.6 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 126 | 171.4 | -58.6 | 174.6 | 0 | 0 | 0 | 108.4 | Q97 A187 | Q97-L189 PolarHBondContact NE2-O 3.34Å; Q97-L189 VanDerWaalsContact OE1-CB 3.22Å; A187-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact O-N 3.16Å |
| 190 | I | 76.3 | Confident | 73.9 | Confident | 107 Ų | 107 | 96.7 Ų | 96.7 | 55% | 0.549 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -96 | 125.2 | 174.1 | -57.1 | 173 | 0 | 0 | 0 | 107.2 | L188 L192 | L188-I190 PolarHBondContact O-N 3.3Å; I190-L192 PolarHBondContact O-N 3.04Å; I190-L192 VanDerWaalsContact O-N 3.15Å |
| 191 | Q | 69.4 | Low | 74.5 | Confident | 183 Ų | 183 | 99.3 Ų | 99.3 | 86% | 0.855 | 54% | 0.543 | S | S | * | . | trans | -70.5 | 111.8 | 171.5 | -172.6 | 163.5 | 1.1 | 0 | 0 | 109.1 | ||||
| 192 | L | 67 | Low | 74.9 | Confident | 86 Ų | 86 | 95.5 Ų | 95.5 | 45% | 0.45 | 52% | 0.522 | S | S | . | . | trans | -79 | 129.5 | 171.4 | -60.3 | 177.1 | 0 | 0 | 0 | 108.2 | A35 I190 T194 | A35-L192 WeakPolarHBondContact O-CD1 3.38Å; I190-L192 PolarHBondContact O-N 3.04Å; I190-L192 VanDerWaalsContact O-N 3.15Å; L192-T194 PolarHBondContact O-N 3.05Å | ||
| 193 | A | 64.4 | Low | 75.3 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | trans | -66.4 | 99.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | T | 64.1 | Low | 75.7 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -79.5 | -9.2 | 174.5 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | L48 L192 | L48-T194 WeakPolarHBondContact CB-O 3.39Å; L48-T194 WeakPolarHBondContact CD1-O 3.48Å; L192-T194 PolarHBondContact O-N 3.05Å |
| 195 | A | 66.8 | Low | 75.9 | Confident | 61 Ų | 61 | 100.2 Ų | 100.2 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -142.6 | 143.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 196 | R | 67.7 | Low | 76.3 | Confident | 113 Ų | 113 | 97 Ų | 97 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | trans | -109.4 | 117.2 | 169.5 | -161.7 | -178.3 | -173.9 | 179.9 | -0.7 | 108 | E5 W14 R198 | E5-R196 IonicContact OE1-CZ 3.11Å; E5-R196 IonicContact OE1-NH1 3.24Å; E5-R196 PolarHBondContact OE1-NH1 3.31Å; E5-R196 IonicContact OE2-CZ 3.34Å; E5-R196 IonicContact OE2-NE 3.15Å; E5-R196 IonicContact OE2-NH1 3.84Å; E5-R196 PolarHBondContact OE2-NH1 3.48Å; W14-R196 HydrophobicContact CB-CB 3.91Å; W14-R196 HydrophobicContact CD2-CB 3.55Å; W14-R196 HydrophobicContact CE3-CB 3.92Å; W14-R196 HydrophobicContact CG-CB 3.55Å; R196-R198 PolarHBondContact O-N 3Å | ||
| 197 | P | 59.3 | Low | 76.7 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 76% | 0.76 | 50% | 0.498 | S | S | * | . | trans | -53.5 | 134.6 | 167.8 | -19.1 | 29.6 | 0 | 0 | 0 | 108 | ||||
| 198 | R | 62.1 | Low | 77.2 | Confident | 200 Ų | 200 | 98.3 Ų | 98.3 | 76% | 0.755 | 51% | 0.508 | S | S | * | . | trans | -41.3 | 129.2 | -177.3 | -69.3 | -179.3 | -176.6 | 143.1 | 2.1 | 109.6 | R196 V200 | R196-R198 PolarHBondContact O-N 3Å; R198-V200 PolarHBondContact O-N 3.37Å | ||
| 199 | P | 63.3 | Low | 77.7 | Confident | 29 Ų | 29 | 101 Ų | 101 | 19% | 0.188 | 53% | 0.526 | C | S | . | . | trans | -62.7 | 114.9 | -177.8 | -3.9 | 13.7 | 0 | 0 | 0 | 107.8 | A71 K201 A202 | A71-P199 HydrophobicContact CB-CB 3.86Å; A71-P199 HydrophobicContact CB-CG 4.16Å; P199-K201 PolarHBondContact O-N 3.02Å; P199-A202 HydrophobicContact CB-CB 3.89Å; P199-A202 HydrophobicContact CG-CB 3.88Å; P199-A202 VanDerWaalsContact O-CB 3.26Å; P199-A202 WeakPolarHBondContact O-CB 3.5Å; P199-A202 PolarHBondContact O-N 3.36Å | ||
| 200 | V | 65.4 | Low | 78.3 | Confident | 150 Ų | 150 | 101.9 Ų | 101.9 | 91% | 0.909 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.1 | -174 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | R198 | R198-V200 PolarHBondContact O-N 3.37Š|
| 201 | K | 76.9 | Confident | 79.1 | Confident | 161 Ų | 161 | 99 Ų | 99 | 70% | 0.7 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 14 | 179.5 | -58.8 | -178.2 | 179.9 | 179.6 | 0 | 113.6 | P72 P199 K203 | P72-K201 WeakPolarHBondContact CD-O 3.24Å; P72-K201 HydrophobicContact CG-CB 3.76Å; P199-K201 PolarHBondContact O-N 3.02Å; K201-K203 PolarHBondContact O-N 2.73Å |
| 202 | A | 85.4 | Confident | 80.2 | Confident | 31 Ų | 31 | 97.6 Ų | 97.6 | 26% | 0.256 | 51% | 0.508 | S | S | . | . | trans | -65.1 | 134.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V69 S70 P199 | V69-A202 HydrophobicContact CB-CB 3.94Å; V69-A202 HydrophobicContact CG2-CB 3.91Å; S70-A202 WeakPolarHBondContact O-CA 3.44Å; P199-A202 HydrophobicContact CB-CB 3.89Å; P199-A202 HydrophobicContact CG-CB 3.88Å; P199-A202 VanDerWaalsContact O-CB 3.26Å; P199-A202 WeakPolarHBondContact O-CB 3.5Å; P199-A202 PolarHBondContact O-N 3.36Å | ||
| 203 | K | 90.9 | Very high | 81.4 | Confident | 150 Ų | 150 | 94.4 Ų | 94.4 | 65% | 0.652 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.2 | 174.9 | -64.4 | -176.2 | 179.4 | -176.5 | 0 | 109.3 | V69 S70 K201 L205 | V69-K203 CarbonylContact C-O 3.51Å; V69-K203 WeakPolarHBondContact CA-O 3.37Å; V69-K203 WeakPolarHBondContact CB-O 3.31Å; S70-K203 PolarHBondContact N-O 2.8Å; S70-K203 PolarHBondContact O-N 3.4Å; K201-K203 PolarHBondContact O-N 2.73Å; K203-L205 PolarHBondContact O-N 2.67Å |
| 204 | P | 93.2 | Very high | 82.9 | Confident | 111 Ų | 111 | 91.4 Ų | 91.4 | 72% | 0.721 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 136.7 | 169.2 | -24.4 | 34.3 | 0 | 0 | 0 | 110.7 | ||
| 205 | L | 94.3 | Very high | 84.4 | Confident | 23 Ų | 23 | 89 Ų | 89 | 12% | 0.12 | 45% | 0.453 | C | S | . | . | trans | -108.6 | 125.5 | 175.5 | -179.8 | 145.4 | 0 | 0 | 0 | 108.4 | V6 L68 K203 D213 W214 | V6-L205 HydrophobicContact CB-CD1 4.19Å; V6-L205 HydrophobicContact CG1-CD1 4.36Å; L68-L205 HydrophobicContact CB-CB 4.13Å; L68-L205 HydrophobicContact CB-CD2 4.07Å; L68-L205 HydrophobicContact CD1-CD2 3.98Å; L68-L205 PolarHBondContact O-N 2.89Å; K203-L205 PolarHBondContact O-N 2.67Å; L205-D213 HydrophobicContact CD1-CB 3.85Å; L205-W214 HydrophobicContact CD1-CB 4.08Å; L205-W214 HydrophobicContact CD2-CB 3.69Å; L205-W214 HydrophobicContact CD2-CD2 4.46Å; L205-W214 HydrophobicContact CD2-CG 4.05Å; L205-W214 HydrophobicContact CG-CB 4.39Å | ||
| 206 | D | 95.4 | Very high | 85.8 | Confident | 80 Ų | 80 | 87.9 Ų | 87.9 | 43% | 0.428 | 44% | 0.436 | S | S | . | . | trans | -84.9 | 116.2 | 172.4 | -171.8 | 0.3 | 0 | 0 | 0 | 109.8 | R208 V209 | D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 WeakPolarHBondContact OD1-CG 3.5Å; D206-R208 PolarHBondContact OD1-N 2.87Å; D206-R208 IonicContact OD1-NH1 2.64Å; D206-V209 HydrophobicContact CB-CG2 4.49Å; D206-V209 PolarHBondContact O-N 3.12Å | ||
| 207 | W | 95.2 | Very high | 87.1 | Confident | 32 Ų | 32 | 83 Ų | 83 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.4 | 179.4 | 58.7 | -98 | 0 | 0 | 0 | 113.2 | R58 A61 E62 L68 V209 W214 A217 | R58-W207 HydrophobicContact CG-CE3 4.11Å; R58-W207 HydrophobicContact CG-CZ3 4.34Å; A61-W207 VanDerWaalsContact CB-CD1 3.46Å; A61-W207 HydrophobicContact CB-CG 4.26Å; E62-W207 HydrophobicContact CB-CH2 4.39Å; E62-W207 HydrophobicContact CB-CZ2 3.95Å; E62-W207 HydrophobicContact CG-CH2 4.18Å; E62-W207 HydrophobicContact CG-CZ2 4.01Å; L68-W207 HydrophobicContact CD1-CB 3.89Å; W207-V209 VanDerWaalsContact C-N 3.33Å; W207-W214 HydrophobicContact CB-CZ2 4.17Å; W207-W214 VanDerWaalsContact O-CD1 3.25Å; W207-W214 PolarHBondContact O-NE1 2.81Å; W207-A217 WeakPolarHBondContact O-CB 3.14Å |
| 208 | R | 96.3 | Very high | 88.7 | Confident | 160 Ų | 160 | 80.4 Ų | 80.4 | 60% | 0.604 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -19.5 | 177.6 | -61.5 | 177 | -177.2 | 82.4 | -1.8 | 112.6 | D206 | D206-R208 PolarHBondContact O-N 3.39Å; D206-R208 WeakPolarHBondContact OD1-CB 3.38Å; D206-R208 WeakPolarHBondContact OD1-CG 3.5Å; D206-R208 PolarHBondContact OD1-N 2.87Å; D206-R208 IonicContact OD1-NH1 2.64Å |
| 209 | V | 95.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 76.9 Ų | 76.9 | 53% | 0.527 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -108.7 | 128.6 | -176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | D206 W207 S211 | D206-V209 HydrophobicContact CB-CG2 4.49Å; D206-V209 PolarHBondContact O-N 3.12Å; W207-V209 VanDerWaalsContact C-N 3.33Å; V209-S211 PolarHBondContact O-N 3.27Å |
| 210 | Q | 94.9 | Very high | 91.9 | Very high | 115 Ų | 115 | 80.8 Ų | 80.8 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | trans | -66 | 130.4 | 176.9 | -171.7 | 174.9 | 63.2 | 0 | 0 | 110.1 | P215 A217 | Q210-P215 PolarHBondContact NE2-O 3.4Å; Q210-A217 HydrophobicContact CB-CB 4.23Å | ||
| 211 | S | 93.8 | Very high | 93.3 | Very high | 47 Ų | 47 | 77 Ų | 77 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | trans | -144 | 174.1 | 178.3 | 69.8 | 0 | 0 | 0 | 0 | 111.2 | V209 D213 W214 | V209-S211 PolarHBondContact O-N 3.27Å; S211-D213 VanDerWaalsContact C-N 3.29Å; S211-D213 PolarHBondContact O-N 3.36Å; S211-W214 PolarHBondContact N-O 2.82Å; S211-W214 CarbonylContact O-C 3.6Å; S211-W214 PolarHBondContact O-N 2.99Å; S211-W214 PolarHBondContact OG-N 2.98Å | ||
| 212 | K | 91.6 | Very high | 94.2 | Very high | 154 Ų | 154 | 69.7 Ų | 69.7 | 67% | 0.67 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -60.1 | -39.2 | 176.4 | -175.4 | 179.1 | -176.6 | 177.1 | 0 | 112.6 | ||
| 213 | D | 93.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 71.3 Ų | 71.3 | 10% | 0.096 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -86.8 | -21.8 | 179.8 | -67.3 | -42.7 | 0 | 0 | 0 | 111.9 | V6 N8 G9 S70 R73 L205 S211 | V6-D213 HydrophobicContact CG1-CB 4.11Å; V6-D213 WeakPolarHBondContact CG1-O 3.38Å; N8-D213 PolarHBondContact N-OD1 3.34Å; G9-D213 WeakPolarHBondContact CA-O 3.02Å; G9-D213 PolarHBondContact N-O 3.12Å; S70-D213 PolarHBondContact OG-OD2 2.97Å; R73-D213 IonicContact CZ-OD1 3.54Å; R73-D213 IonicContact NH2-OD1 2.94Å; R73-D213 PolarHBondContact NH2-OD1 3.1Å; L205-D213 HydrophobicContact CD1-CB 3.85Å; S211-D213 VanDerWaalsContact C-N 3.29Å; S211-D213 PolarHBondContact O-N 3.36Å |
| 214 | W | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | trans | -127.4 | 82.2 | 174.6 | -170.8 | -102.3 | 0 | 0 | 0 | 112.1 | V6 P54 A57 R58 L68 L205 W207 S211 H216 | V6-W214 HydrophobicContact CG1-CE3 4.24Å; P54-W214 WeakPolarHBondContact O-CH2 3.32Å; A57-W214 HydrophobicContact CB-CH2 3.99Å; A57-W214 HydrophobicContact CB-CZ3 3.99Å; R58-W214 HydrophobicContact CB-CH2 4.21Å; R58-W214 HydrophobicContact CB-CZ2 4.03Å; L68-W214 HydrophobicContact CD1-CE3 4.29Å; L68-W214 HydrophobicContact CD1-CH2 4.42Å; L68-W214 HydrophobicContact CD1-CZ3 4.15Å; L205-W214 HydrophobicContact CD1-CB 4.08Å; L205-W214 HydrophobicContact CD2-CB 3.69Å; L205-W214 HydrophobicContact CD2-CD2 4.46Å; L205-W214 HydrophobicContact CD2-CG 4.05Å; L205-W214 HydrophobicContact CG-CB 4.39Å; W207-W214 HydrophobicContact CB-CZ2 4.17Å; W207-W214 VanDerWaalsContact O-CD1 3.25Å; W207-W214 PolarHBondContact O-NE1 2.81Å; S211-W214 PolarHBondContact N-O 2.82Å; S211-W214 CarbonylContact O-C 3.6Å; S211-W214 PolarHBondContact O-N 2.99Å; S211-W214 PolarHBondContact OG-N 2.98Å; W214-H216 HydrophobicContact CZ2-CB 4.37Å; W214-H216 PolarHBondContact O-N 3.21Å | ||
| 215 | P | 95.9 | Very high | 95.3 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 20% | 0.195 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7.4 | -176.1 | 31.3 | -35.8 | 0 | 0 | 0 | 113.7 | Q210 R219 | Q210-P215 PolarHBondContact NE2-O 3.4Å; P215-R219 WeakPolarHBondContact O-CD 3.49Å; P215-R219 PolarHBondContact O-NE 2.75Å |
| 216 | H | 95.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 62.6 Ų | 62.6 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -23 | -165.4 | -55.5 | -69.7 | 0 | 0 | 0 | 114.8 | W214 G218 R219 H222 | W214-H216 HydrophobicContact CZ2-CB 4.37Å; W214-H216 PolarHBondContact O-N 3.21Å; H216-G218 PolarHBondContact O-N 3.47Å; H216-R219 PolarHBondContact O-N 2.91Å; H216-R219 VanDerWaalsContact O-N 3.16Å; H216-H222 HydrophobicContact CB-CB 4.29Å; H216-H222 PolarHBondContact O-ND1 2.56Å |
| 217 | A | 95.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 127.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W207 Q210 R219 | W207-A217 WeakPolarHBondContact O-CB 3.14Å; Q210-A217 HydrophobicContact CB-CB 4.23Å; A217-R219 PolarHBondContact O-N 3.45Å |
| 218 | G | 93.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 5.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | H216 | H216-G218 PolarHBondContact O-N 3.47Š|
| 219 | R | 96.3 | Very high | 95.8 | Very high | 126 Ų | 126 | 51.5 Ų | 51.5 | 48% | 0.475 | 29% | 0.29 | S | S | . | . | trans | -78.4 | 124.8 | 176.2 | -69.9 | -166.2 | 177.8 | -166.1 | -0.9 | 110.2 | P215 H216 A217 A221 H222 E223 | P215-R219 WeakPolarHBondContact O-CD 3.49Å; P215-R219 PolarHBondContact O-NE 2.75Å; H216-R219 PolarHBondContact O-N 2.91Å; H216-R219 VanDerWaalsContact O-N 3.16Å; A217-R219 PolarHBondContact O-N 3.45Å; R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.35Å; R219-H222 HydrophobicContact CB-CB 4.17Å; R219-H222 PolarHBondContact O-N 2.8Å; R219-E223 PolarHBondContact O-N 3.28Å | ||
| 220 | P | 95.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 51.8 Ų | 51.8 | 72% | 0.721 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52.7 | -45.1 | -177.6 | -29.1 | 35.2 | 0 | 0 | 0 | 113.8 | H222 E223 L224 | P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.97Å; P220-E223 PolarHBondContact O-N 3.32Å; P220-L224 WeakPolarHBondContact O-CB 3.44Å; P220-L224 PolarHBondContact O-N 2.74Å |
| 221 | A | 94.9 | Very high | 96 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.8 | -33.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R219 R225 | R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.35Å; A221-R225 WeakPolarHBondContact O-CB 3.45Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.16Å; A221-R225 PolarHBondContact O-N 2.85Å |
| 222 | H | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.3 | -39.5 | 176.9 | 178.6 | -107.5 | 0 | 0 | 0 | 111.7 | P54 E55 H216 R219 P220 L224 R225 Y226 | P54-H222 WeakPolarHBondContact CB-NE2 3.44Å; E55-H222 IonicContact OE1-CD2 3.61Å; H216-H222 HydrophobicContact CB-CB 4.29Å; H216-H222 PolarHBondContact O-ND1 2.56Å; R219-H222 HydrophobicContact CB-CB 4.17Å; R219-H222 PolarHBondContact O-N 2.8Å; P220-H222 VanDerWaalsContact C-N 3.28Å; P220-H222 PolarHBondContact O-N 2.97Å; H222-L224 VanDerWaalsContact C-N 3.34Å; H222-R225 PolarHBondContact O-N 2.94Å; H222-Y226 WeakPolarHBondContact O-CB 3.39Å; H222-Y226 PolarHBondContact O-N 2.83Å |
| 223 | E | 96.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.7 | -63 | -51.2 | 128.7 | 0 | 0 | 111.4 | R58 R219 P220 Y226 S227 | R58-E223 IonicContact CZ-OE1 3.6Å; R58-E223 IonicContact CZ-OE2 3.67Å; R58-E223 VanDerWaalsContact CZ-OE2 3.24Å; R58-E223 IonicContact NH1-OE1 2.81Å; R58-E223 PolarHBondContact NH1-OE1 3.44Å; R58-E223 IonicContact NH1-OE2 2.82Å; R58-E223 PolarHBondContact NH1-OE2 2.88Å; R58-E223 IonicContact NH2-OE1 3.29Å; R58-E223 IonicContact NH2-OE2 3.96Å; R58-E223 PolarHBondContact NH2-OE2 2.89Å; R219-E223 PolarHBondContact O-N 3.28Å; P220-E223 PolarHBondContact O-N 3.32Å; E223-Y226 PolarHBondContact O-N 2.8Å; E223-S227 PolarHBondContact O-N 3.4Å |
| 224 | L | 96.7 | Very high | 96.7 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.8 | -57.9 | 173.9 | 172.9 | 59.2 | 0 | 0 | 0 | 111.1 | P220 H222 Y226 S227 I228 C267 P298 | P220-L224 WeakPolarHBondContact O-CB 3.44Å; P220-L224 PolarHBondContact O-N 2.74Å; H222-L224 VanDerWaalsContact C-N 3.34Å; L224-Y226 VanDerWaalsContact C-N 3.29Å; L224-Y226 PolarHBondContact O-N 3.34Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 PolarHBondContact O-OG 2.94Å; L224-I228 HydrophobicContact CD1-CD1 3.9Å; L224-I228 HydrophobicContact CG-CD1 4.39Å; L224-I228 PolarHBondContact O-N 2.67Å; L224-C267 HydrophobicContact CD2-CB 4.41Å; L224-C267 HydrophobicContact CG-CB 4.2Å; L224-P298 HydrophobicContact CD1-CG 3.48Å; L224-P298 VanDerWaalsContact CD1-CG 3.48Å |
| 225 | R | 97.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 52 Ų | 52 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.6 | -37.6 | -179 | -72.3 | 176.8 | 73.9 | -115.7 | -15.9 | 112.1 | E55 A221 H222 Y229 D248 F249 C267 | E55-R225 HydrophobicContact CG-CB 4.3Å; E55-R225 IonicContact OE1-CZ 3.67Å; E55-R225 VanDerWaalsContact OE1-CZ 3.22Å; E55-R225 IonicContact OE1-NE 2.68Å; E55-R225 IonicContact OE1-NH1 3.63Å; E55-R225 PolarHBondContact OE1-NH1 3.08Å; E55-R225 IonicContact OE1-NH2 3.76Å; E55-R225 IonicContact OE2-NH1 3.68Å; E55-R225 IonicContact OE2-NH2 3.94Å; A221-R225 WeakPolarHBondContact O-CB 3.45Å; A221-R225 VanDerWaalsContact O-CG 3.31Å; A221-R225 WeakPolarHBondContact O-CG 3.16Å; A221-R225 PolarHBondContact O-N 2.85Å; H222-R225 PolarHBondContact O-N 2.94Å; R225-Y229 VanDerWaalsContact O-CB 3.27Å; R225-Y229 WeakPolarHBondContact O-CB 3.28Å; R225-Y229 PolarHBondContact O-N 3.38Å; R225-D248 WeakPolarHBondContact CD-OD1 3.49Å; R225-D248 IonicContact NE-OD1 3.05Å; R225-D248 PolarHBondContact NE-OD1 3.16Å; R225-F249 HydrophobicContact CB-CE2 4.27Å; R225-F249 HydrophobicContact CB-CZ 4.04Å; R225-C267 HydrophobicContact CG-CB 3.97Å |
| 226 | Y | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.035 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.8 | 179 | -109.7 | 0 | 0 | 0 | 112.8 | E55 R58 L59 E62 H222 E223 L224 I228 Y229 R230 | E55-Y226 HydrophobicContact CB-CD2 4.17Å; R58-Y226 HydrophobicContact CB-CD2 4.13Å; R58-Y226 HydrophobicContact CB-CE2 3.86Å; R58-Y226 HydrophobicContact CG-CD2 4.07Å; R58-Y226 HydrophobicContact CG-CE1 4.25Å; R58-Y226 HydrophobicContact CG-CE2 3.65Å; R58-Y226 VanDerWaalsContact CZ-CE1 3.41Å; R58-Y226 VanDerWaalsContact NE-CD1 3.27Å; L59-Y226 HydrophobicContact CB-CE2 4.01Å; E62-Y226 VanDerWaalsContact CD-OH 3.24Å; E62-Y226 WeakPolarHBondContact OE2-CE1 3.37Å; E62-Y226 VanDerWaalsContact OE2-CZ 3.3Å; E62-Y226 PolarHBondContact OE2-OH 3.29Å; H222-Y226 WeakPolarHBondContact O-CB 3.39Å; H222-Y226 PolarHBondContact O-N 2.83Å; E223-Y226 PolarHBondContact O-N 2.8Å; L224-Y226 VanDerWaalsContact C-N 3.29Å; L224-Y226 PolarHBondContact O-N 3.34Å; Y226-I228 VanDerWaalsContact C-N 3.3Å; Y226-I228 PolarHBondContact O-N 2.87Å; Y226-Y229 PolarHBondContact O-N 2.93Å; Y226-R230 WeakPolarHBondContact O-CB 3.34Å; Y226-R230 PolarHBondContact O-N 2.95Å |
| 227 | S | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 178 | 68 | 0 | 0 | 0 | 0 | 111.8 | E223 L224 R230 D231 | E223-S227 PolarHBondContact O-N 3.4Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 PolarHBondContact O-OG 2.94Å; S227-R230 PolarHBondContact O-N 3.05Å; S227-D231 PolarHBondContact O-N 3Å |
| 228 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 177.6 | -64.4 | 159.7 | 0 | 0 | 0 | 111.4 | L224 Y226 R230 D231 L232 C267 C296 V304 Y306 | L224-I228 HydrophobicContact CD1-CD1 3.9Å; L224-I228 HydrophobicContact CG-CD1 4.39Å; L224-I228 PolarHBondContact O-N 2.67Å; Y226-I228 VanDerWaalsContact C-N 3.3Å; Y226-I228 PolarHBondContact O-N 2.87Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.49Å; I228-D231 PolarHBondContact O-N 3.09Å; I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.27Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 3.07Å; I228-C267 HydrophobicContact CD1-CB 3.44Å; I228-C267 VanDerWaalsContact CD1-CB 3.44Å; I228-C267 WeakPolarHBondContact CD1-SG 3.35Å; I228-C296 HydrophobicContact CD1-CB 3.85Å; I228-C296 WeakPolarHBondContact CD1-O 3.45Å; I228-C296 HydrophobicContact CG1-CB 4.12Å; I228-C296 HydrophobicContact CG2-CB 3.65Å; I228-V304 HydrophobicContact CG1-CG1 3.96Å; I228-V304 HydrophobicContact CG1-CG2 4.33Å; I228-Y306 HydrophobicContact CG2-CE1 4.48Å |
| 229 | Y | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 176.3 | -179.4 | -80.3 | 0 | 0 | 0 | 110.8 | L53 E55 E56 L59 R225 Y226 L232 W233 L239 F249 | L53-Y229 HydrophobicContact CD1-CE2 4.49Å; E55-Y229 HydrophobicContact CB-CD1 3.99Å; E55-Y229 HydrophobicContact CB-CD2 3.76Å; E55-Y229 HydrophobicContact CB-CE2 4.38Å; E55-Y229 HydrophobicContact CB-CG 3.57Å; E55-Y229 HydrophobicContact CG-CG 4.41Å; E56-Y229 HydrophobicContact CG-CE1 4.48Å; E56-Y229 HydrophobicContact CG-CE2 3.91Å; E56-Y229 WeakPolarHBondContact CG-OH 3.29Å; L59-Y229 HydrophobicContact CB-CE1 4.41Å; L59-Y229 HydrophobicContact CD2-CD1 4.5Å; L59-Y229 HydrophobicContact CD2-CE1 3.78Å; R225-Y229 VanDerWaalsContact O-CB 3.27Å; R225-Y229 WeakPolarHBondContact O-CB 3.28Å; R225-Y229 PolarHBondContact O-N 3.38Å; Y226-Y229 PolarHBondContact O-N 2.93Å; Y229-L232 PolarHBondContact O-N 3.02Å; Y229-W233 HydrophobicContact CE1-CB 4.26Å; Y229-W233 VanDerWaalsContact O-CB 3.28Å; Y229-W233 WeakPolarHBondContact O-CB 3.41Å; Y229-W233 PolarHBondContact O-N 3.44Å; Y229-L239 HydrophobicContact CD2-CB 3.99Å; Y229-L239 HydrophobicContact CD2-CD1 4.1Å; Y229-L239 HydrophobicContact CD2-CD2 3.98Å; Y229-L239 HydrophobicContact CD2-CG 4.26Å; Y229-L239 HydrophobicContact CE2-CB 3.56Å; Y229-L239 HydrophobicContact CE2-CD1 3.9Å; Y229-L239 HydrophobicContact CE2-CD2 4.37Å; Y229-L239 HydrophobicContact CE2-CG 4.16Å; Y229-L239 HydrophobicContact CG-CD1 4.5Å; Y229-F249 HydrophobicContact CD2-CD1 4.31Å; Y229-F249 AromaticContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CZ 4.07Å |
| 230 | R | 97.9 | Very high | 97.3 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -48.7 | 179.7 | 179.3 | -178.7 | 173.8 | 161.6 | 5.8 | 111.5 | L59 E62 Y226 S227 I228 L232 W233 E234 | L59-R230 HydrophobicContact CD1-CG 4.45Å; E62-R230 IonicContact OE1-CZ 3.07Å; E62-R230 IonicContact OE1-NH1 3.23Å; E62-R230 PolarHBondContact OE1-NH1 3.36Å; Y226-R230 WeakPolarHBondContact O-CB 3.34Å; Y226-R230 PolarHBondContact O-N 2.95Å; S227-R230 PolarHBondContact O-N 3.05Å; I228-R230 VanDerWaalsContact C-N 3.32Å; I228-R230 PolarHBondContact O-N 3.49Å; R230-L232 PolarHBondContact O-N 2.85Å; R230-W233 PolarHBondContact O-N 3.06Å; R230-E234 HydrophobicContact CG-CG 4.27Å; R230-E234 IonicContact CZ-OE1 2.67Å; R230-E234 IonicContact NE-OE1 3.94Å; R230-E234 PolarHBondContact NE-OE1 3.38Å; R230-E234 IonicContact NH2-OE1 3.58Å; R230-E234 PolarHBondContact NH2-OE1 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 2.85Å |
| 231 | D | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 179.8 | -174.1 | 101.7 | 0 | 0 | 0 | 111.6 | S227 I228 W233 E234 R235 V304 Y306 | S227-D231 PolarHBondContact O-N 3Å; I228-D231 PolarHBondContact O-N 3.09Å; D231-W233 PolarHBondContact O-N 3.47Å; D231-E234 PolarHBondContact O-N 3.39Å; D231-R235 VanDerWaalsContact O-CG 3.3Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.9Å; D231-R235 VanDerWaalsContact O-N 3.12Å; D231-R235 IonicContact OD1-NH2 2.59Å; D231-R235 IonicContact OD2-CZ 2.75Å; D231-R235 VanDerWaalsContact OD2-CZ 3.23Å; D231-R235 IonicContact OD2-NE 2.79Å; D231-R235 PolarHBondContact OD2-NE 2.97Å; D231-R235 IonicContact OD2-NH2 3.73Å; D231-R235 PolarHBondContact OD2-NH2 3.32Å; D231-V304 HydrophobicContact CB-CB 4.21Å; D231-V304 HydrophobicContact CB-CG2 3.59Å; D231-Y306 WeakPolarHBondContact OD2-CE2 3.06Å; D231-Y306 PolarHBondContact OD2-OH 2.81Å |
| 232 | L | 98.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.5 | -74.1 | 172.7 | 0 | 0 | 0 | 112.6 | I228 Y229 R230 R235 F237 L239 V251 Y306 | I228-L232 HydrophobicContact CG2-CD1 4.03Å; I228-L232 WeakPolarHBondContact O-CB 3.27Å; I228-L232 WeakPolarHBondContact O-CG 3.48Å; I228-L232 PolarHBondContact O-N 3.07Å; Y229-L232 PolarHBondContact O-N 3.02Å; R230-L232 PolarHBondContact O-N 2.85Å; L232-R235 PolarHBondContact O-N 3.42Å; L232-F237 HydrophobicContact CD2-CD2 4.09Å; L232-F237 WeakPolarHBondContact O-CB 3.41Å; L232-F237 WeakPolarHBondContact O-CD2 3.35Å; L232-F237 PolarHBondContact O-N 3.34Å; L232-F237 VanDerWaalsContact O-N 3.12Å; L232-L239 HydrophobicContact CB-CD1 4.04Å; L232-L239 HydrophobicContact CB-CD2 3.92Å; L232-L239 HydrophobicContact CB-CG 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.62Å; L232-L239 HydrophobicContact CG-CD2 4.42Å; L232-V251 HydrophobicContact CD1-CG2 3.87Å; L232-V251 HydrophobicContact CD2-CG1 4.33Å; L232-Y306 HydrophobicContact CD1-CE1 4.24Å; L232-Y306 HydrophobicContact CD2-CE1 3.71Å; L232-Y306 HydrophobicContact CG-CE1 3.99Å; L232-Y306 WeakPolarHBondContact CG-OH 3.35Å |
| 233 | W | 97.9 | Very high | 97 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.7 | 175.6 | 84.8 | 0 | 0 | 0 | 112.1 | L26 L59 I63 Y229 R230 D231 R235 G236 L239 | L26-W233 PolarHBondContact O-NE1 3.48Å; L59-W233 HydrophobicContact CD1-CD2 4.39Å; L59-W233 HydrophobicContact CD1-CE3 3.91Å; L59-W233 HydrophobicContact CD1-CZ3 4.04Å; L59-W233 HydrophobicContact CD2-CB 4.35Å; L59-W233 HydrophobicContact CD2-CD2 3.4Å; L59-W233 VanDerWaalsContact CD2-CD2 3.4Å; L59-W233 HydrophobicContact CD2-CE3 3.8Å; L59-W233 HydrophobicContact CD2-CG 3.62Å; L59-W233 HydrophobicContact CD2-CH2 4.49Å; L59-W233 HydrophobicContact CD2-CZ2 4.15Å; L59-W233 HydrophobicContact CD2-CZ3 4.33Å; L59-W233 HydrophobicContact CG-CD2 4.47Å; L59-W233 HydrophobicContact CG-CE3 4.45Å; I63-W233 HydrophobicContact CD1-CH2 4.46Å; Y229-W233 HydrophobicContact CE1-CB 4.26Å; Y229-W233 VanDerWaalsContact O-CB 3.28Å; Y229-W233 WeakPolarHBondContact O-CB 3.41Å; Y229-W233 PolarHBondContact O-N 3.44Å; R230-W233 PolarHBondContact O-N 3.06Å; D231-W233 PolarHBondContact O-N 3.47Å; W233-R235 PolarHBondContact O-N 3.13Å; W233-G236 WeakPolarHBondContact O-CA 3.3Å; W233-G236 PolarHBondContact O-N 3.39Å; W233-L239 HydrophobicContact CB-CD1 4.15Å |
| 234 | E | 97.3 | Very high | 96.7 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 52% | 0.523 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -28.4 | 175.7 | -74.7 | 178 | 175.1 | 0 | 0 | 111.8 | R230 D231 G236 | R230-E234 HydrophobicContact CG-CG 4.27Å; R230-E234 IonicContact CZ-OE1 2.67Å; R230-E234 IonicContact NE-OE1 3.94Å; R230-E234 PolarHBondContact NE-OE1 3.38Å; R230-E234 IonicContact NH2-OE1 3.58Å; R230-E234 PolarHBondContact NH2-OE1 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.37Å; R230-E234 WeakPolarHBondContact O-CG 3.44Å; R230-E234 PolarHBondContact O-N 2.85Å; D231-E234 PolarHBondContact O-N 3.39Å; E234-G236 PolarHBondContact O-N 2.82Å |
| 235 | R | 96.7 | Very high | 96.4 | Very high | 142 Ų | 142 | 51.6 Ų | 51.6 | 54% | 0.536 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.8 | 171 | -67.5 | 173 | -165.6 | -109 | 1.1 | 114.4 | D231 L232 W233 F237 | D231-R235 VanDerWaalsContact O-CG 3.3Å; D231-R235 WeakPolarHBondContact O-CG 3.41Å; D231-R235 PolarHBondContact O-N 2.9Å; D231-R235 VanDerWaalsContact O-N 3.12Å; D231-R235 IonicContact OD1-NH2 2.59Å; D231-R235 IonicContact OD2-CZ 2.75Å; D231-R235 VanDerWaalsContact OD2-CZ 3.23Å; D231-R235 IonicContact OD2-NE 2.79Å; D231-R235 PolarHBondContact OD2-NE 2.97Å; D231-R235 IonicContact OD2-NH2 3.73Å; D231-R235 PolarHBondContact OD2-NH2 3.32Å; L232-R235 PolarHBondContact O-N 3.42Å; W233-R235 PolarHBondContact O-N 3.13Å; R235-F237 HydrophobicContact CB-CD2 3.79Å; R235-F237 HydrophobicContact CB-CE2 3.88Å |
| 236 | G | 96.8 | Very high | 96 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 11.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | W233 E234 | W233-G236 WeakPolarHBondContact O-CA 3.3Å; W233-G236 PolarHBondContact O-N 3.39Å; E234-G236 PolarHBondContact O-N 2.82Å |
| 237 | F | 98.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | trans | -80.5 | 146.4 | 174.8 | -64.7 | -77.7 | 0 | 0 | 0 | 111.7 | L232 R235 V251 Y252 | L232-F237 HydrophobicContact CD2-CD2 4.09Å; L232-F237 WeakPolarHBondContact O-CB 3.41Å; L232-F237 WeakPolarHBondContact O-CD2 3.35Å; L232-F237 PolarHBondContact O-N 3.34Å; L232-F237 VanDerWaalsContact O-N 3.12Å; R235-F237 HydrophobicContact CB-CD2 3.79Å; R235-F237 HydrophobicContact CB-CE2 3.88Å; F237-V251 HydrophobicContact CB-CG1 3.65Å; F237-V251 HydrophobicContact CD1-CG1 3.69Å; F237-V251 HydrophobicContact CD2-CG1 4.32Å; F237-V251 HydrophobicContact CE1-CG1 4.44Å; F237-V251 HydrophobicContact CG-CG1 3.63Å; F237-Y252 WeakPolarHBondContact CA-O 3.43Å; F237-Y252 WeakPolarHBondContact CD1-O 3.24Å | ||
| 238 | F | 98.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 12% | 0.118 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 144.8 | 163.7 | -80 | -111.4 | 0 | 0 | 0 | 109.4 | G27 Y252 G254 D255 P256 | G27-F238 VanDerWaalsContact C-CE1 3.46Å; G27-F238 VanDerWaalsContact CA-CZ 3.49Å; G27-F238 VanDerWaalsContact O-CD1 3.31Å; G27-F238 WeakPolarHBondContact O-CD1 3.49Å; G27-F238 WeakPolarHBondContact O-CE1 3.39Å; F238-Y252 PolarHBondContact N-O 2.79Å; F238-Y252 WeakPolarHBondContact O-CD2 3.16Å; F238-Y252 PolarHBondContact O-N 3.42Å; F238-G254 WeakPolarHBondContact CB-O 3.37Å; F238-D255 HydrophobicContact CE1-CB 4.31Å; F238-D255 HydrophobicContact CZ-CB 4.21Å; F238-P256 HydrophobicContact CB-CG 4.09Å; F238-P256 HydrophobicContact CD1-CG 4.46Å |
| 239 | L | 98.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.4 | 178.7 | -60.4 | 103 | 0 | 0 | 0 | 111.4 | Y229 L232 W233 F249 L250 | Y229-L239 HydrophobicContact CD2-CB 3.99Å; Y229-L239 HydrophobicContact CD2-CD1 4.1Å; Y229-L239 HydrophobicContact CD2-CD2 3.98Å; Y229-L239 HydrophobicContact CD2-CG 4.26Å; Y229-L239 HydrophobicContact CE2-CB 3.56Å; Y229-L239 HydrophobicContact CE2-CD1 3.9Å; Y229-L239 HydrophobicContact CE2-CD2 4.37Å; Y229-L239 HydrophobicContact CE2-CG 4.16Å; Y229-L239 HydrophobicContact CG-CD1 4.5Å; L232-L239 HydrophobicContact CB-CD1 4.04Å; L232-L239 HydrophobicContact CB-CD2 3.92Å; L232-L239 HydrophobicContact CB-CG 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.62Å; L232-L239 HydrophobicContact CG-CD2 4.42Å; W233-L239 HydrophobicContact CB-CD1 4.15Å; L239-F249 HydrophobicContact CD2-CB 3.83Å; L239-F249 HydrophobicContact CD2-CD1 4.47Å; L239-F249 HydrophobicContact CD2-CD2 4.15Å; L239-F249 HydrophobicContact CD2-CG 3.91Å; L239-L250 VanDerWaalsContact CA-O 3.29Å; L239-L250 WeakPolarHBondContact CA-O 3.47Å |
| 240 | S | 96.5 | Very high | 95.8 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 167.1 | 168.6 | 81.6 | 0 | 0 | 0 | 0 | 110.6 | A242 F249 L250 Y252 | S240-A242 PolarHBondContact O-N 3.43Å; S240-F249 CarbonylContact O-C 3.36Å; S240-F249 VanDerWaalsContact O-CA 3.24Å; S240-F249 WeakPolarHBondContact O-CA 3.5Å; S240-L250 PolarHBondContact N-O 2.94Å; S240-L250 VanDerWaalsContact N-O 3.09Å; S240-L250 PolarHBondContact O-N 2.85Å; S240-Y252 WeakPolarHBondContact OG-CE2 3.2Å; S240-Y252 PolarHBondContact OG-OH 3.18Å; S240-Y252 VanDerWaalsContact OG-OH 3.07Å |
| 241 | A | 95.7 | Very high | 95.8 | Very high | 57 Ų | 57 | 47 Ų | 47 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L53 | L53-A241 HydrophobicContact CD2-CB 4Å |
| 242 | A | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -102.2 | 15.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S240 K244 F245 G246 G247 D248 F249 L250 I264 | S240-A242 PolarHBondContact O-N 3.43Å; A242-K244 PolarHBondContact O-N 2.68Å; A242-F245 CarbonylContact O-C 3.57Å; A242-F245 WeakPolarHBondContact O-CA 3.41Å; A242-F245 PolarHBondContact O-N 2.96Å; A242-G246 PolarHBondContact O-N 3.27Å; A242-G247 CarbonylContact C-O 3.58Å; A242-G247 WeakPolarHBondContact CB-O 3.41Å; A242-G247 PolarHBondContact O-N 2.92Å; A242-D248 PolarHBondContact N-O 3.18Å; A242-D248 VanDerWaalsContact N-O 3.08Å; A242-F249 WeakPolarHBondContact CB-O 3.24Å; A242-L250 HydrophobicContact CB-CD2 4.02Å; A242-L250 HydrophobicContact CB-CG 3.81Å; A242-I264 HydrophobicContact CB-CG2 4.34Å | ||
| 243 | G | 90.4 | Very high | 95.7 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -54.7 | -29 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F245 G247 | G243-F245 VanDerWaalsContact C-N 3.25Å; G243-F245 PolarHBondContact O-N 3.2Å; G243-G247 PolarHBondContact N-O 3.41Å |
| 244 | K | 88.8 | Confident | 95.6 | Very high | 195 Ų | 195 | 47 Ų | 47 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -73 | -14 | 175.1 | -64.3 | -176.5 | 178.9 | -176.4 | 0 | 114.4 | A242 | A242-K244 PolarHBondContact O-N 2.68Š|
| 245 | F | 90.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 26% | 0.263 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -117.1 | 8.4 | -173.6 | -59.8 | -81.7 | 0 | 0 | 0 | 112.2 | A242 G243 L250 I264 V289 | A242-F245 CarbonylContact O-C 3.57Å; A242-F245 WeakPolarHBondContact O-CA 3.41Å; A242-F245 PolarHBondContact O-N 2.96Å; G243-F245 VanDerWaalsContact C-N 3.25Å; G243-F245 PolarHBondContact O-N 3.2Å; F245-L250 HydrophobicContact CB-CD2 4.39Å; F245-L250 HydrophobicContact CD2-CD1 3.82Å; F245-L250 HydrophobicContact CD2-CD2 3.82Å; F245-L250 HydrophobicContact CD2-CG 4.09Å; F245-L250 HydrophobicContact CE2-CD1 3.66Å; F245-L250 HydrophobicContact CE2-CD2 4.35Å; F245-L250 HydrophobicContact CE2-CG 4.43Å; F245-L250 HydrophobicContact CG-CD2 4.13Å; F245-I264 HydrophobicContact CB-CD1 3.9Å; F245-I264 HydrophobicContact CB-CG1 4.15Å; F245-V289 HydrophobicContact CD1-CB 4.26Å; F245-V289 HydrophobicContact CD1-CG1 3.89Å; F245-V289 HydrophobicContact CD1-CG2 3.94Å; F245-V289 HydrophobicContact CE1-CB 4.3Å; F245-V289 HydrophobicContact CE1-CG1 3.93Å; F245-V289 HydrophobicContact CE1-CG2 4.42Å |
| 246 | G | 90.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 33.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A242 Q266 | A242-G246 PolarHBondContact O-N 3.27Å; G246-Q266 PolarHBondContact O-NE2 2.98Å |
| 247 | G | 94.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -139.3 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A242 G243 | A242-G247 CarbonylContact C-O 3.58Å; A242-G247 WeakPolarHBondContact CB-O 3.41Å; A242-G247 PolarHBondContact O-N 2.92Å; G243-G247 PolarHBondContact N-O 3.41Å |
| 248 | D | 97 | Very high | 94.4 | Very high | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -80.2 | -49.1 | 176 | -68 | -74.6 | 0 | 0 | 0 | 111.3 | R225 A242 A265 Q266 C267 | R225-D248 WeakPolarHBondContact CD-OD1 3.49Å; R225-D248 IonicContact NE-OD1 3.05Å; R225-D248 PolarHBondContact NE-OD1 3.16Å; A242-D248 PolarHBondContact N-O 3.18Å; A242-D248 VanDerWaalsContact N-O 3.08Å; D248-A265 PolarHBondContact N-O 3.31Å; D248-Q266 WeakPolarHBondContact OD2-CA 3.42Å; D248-C267 PolarHBondContact OD2-N 3.29Å |
| 249 | F | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143 | -177.1 | -51.1 | -65.6 | 0 | 0 | 0 | 113.3 | L53 E55 R225 Y229 L239 S240 A242 A265 | L53-F249 HydrophobicContact CD1-CD1 4.28Å; L53-F249 HydrophobicContact CD1-CE1 4.13Å; E55-F249 HydrophobicContact CG-CZ 4.04Å; R225-F249 HydrophobicContact CB-CE2 4.27Å; R225-F249 HydrophobicContact CB-CZ 4.04Å; Y229-F249 HydrophobicContact CD2-CD1 4.31Å; Y229-F249 AromaticContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CE1 3.9Å; Y229-F249 HydrophobicContact CD2-CZ 4.07Å; L239-F249 HydrophobicContact CD2-CB 3.83Å; L239-F249 HydrophobicContact CD2-CD1 4.47Å; L239-F249 HydrophobicContact CD2-CD2 4.15Å; L239-F249 HydrophobicContact CD2-CG 3.91Å; S240-F249 CarbonylContact O-C 3.36Å; S240-F249 VanDerWaalsContact O-CA 3.24Å; S240-F249 WeakPolarHBondContact O-CA 3.5Å; A242-F249 WeakPolarHBondContact CB-O 3.24Å; F249-A265 HydrophobicContact CB-CB 4.24Å; F249-A265 PolarHBondContact N-O 2.77Å; F249-A265 PolarHBondContact O-N 3.3Å |
| 250 | L | 97.6 | Very high | 94 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.3 | 160.4 | -73.6 | -179 | 0 | 0 | 0 | 107 | L239 S240 A242 F245 Y252 A261 I264 K291 | L239-L250 VanDerWaalsContact CA-O 3.29Å; L239-L250 WeakPolarHBondContact CA-O 3.47Å; S240-L250 PolarHBondContact N-O 2.94Å; S240-L250 VanDerWaalsContact N-O 3.09Å; S240-L250 PolarHBondContact O-N 2.85Å; A242-L250 HydrophobicContact CB-CD2 4.02Å; A242-L250 HydrophobicContact CB-CG 3.81Å; F245-L250 HydrophobicContact CB-CD2 4.39Å; F245-L250 HydrophobicContact CD2-CD1 3.82Å; F245-L250 HydrophobicContact CD2-CD2 3.82Å; F245-L250 HydrophobicContact CD2-CG 4.09Å; F245-L250 HydrophobicContact CE2-CD1 3.66Å; F245-L250 HydrophobicContact CE2-CD2 4.35Å; F245-L250 HydrophobicContact CE2-CG 4.43Å; F245-L250 HydrophobicContact CG-CD2 4.13Å; L250-Y252 HydrophobicContact CB-CD2 4.28Å; L250-Y252 HydrophobicContact CB-CE2 3.43Å; L250-Y252 VanDerWaalsContact CB-CE2 3.43Å; L250-Y252 HydrophobicContact CD1-CE2 4.41Å; L250-Y252 VanDerWaalsContact CD1-OH 3.24Å; L250-Y252 WeakPolarHBondContact CD1-OH 3.36Å; L250-Y252 WeakPolarHBondContact O-CD2 3.35Å; L250-Y252 WeakPolarHBondContact O-CE2 3.36Å; L250-A261 HydrophobicContact CB-CB 3.83Å; L250-A261 HydrophobicContact CD1-CB 4.31Å; L250-A261 HydrophobicContact CD2-CB 3.98Å; L250-A261 HydrophobicContact CG-CB 4.27Å; L250-I264 HydrophobicContact CD2-CG1 3.89Å; L250-K291 HydrophobicContact CD2-CD 4.15Å |
| 251 | V | 98.2 | Very high | 94 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.4 | -177.9 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | L232 F237 A261 H262 Y263 A265 | L232-V251 HydrophobicContact CD1-CG2 3.87Å; L232-V251 HydrophobicContact CD2-CG1 4.33Å; F237-V251 HydrophobicContact CB-CG1 3.65Å; F237-V251 HydrophobicContact CD1-CG1 3.69Å; F237-V251 HydrophobicContact CD2-CG1 4.32Å; F237-V251 HydrophobicContact CE1-CG1 4.44Å; F237-V251 HydrophobicContact CG-CG1 3.63Å; V251-A261 CarbonylContact O-C 3.27Å; V251-A261 WeakPolarHBondContact O-CA 3.27Å; V251-H262 PolarHBondContact O-N 2.79Å; V251-Y263 HydrophobicContact CB-CD2 4.05Å; V251-Y263 HydrophobicContact CG1-CD2 4.18Å; V251-Y263 PolarHBondContact N-O 3.09Å; V251-Y263 PolarHBondContact O-N 2.9Å; V251-A265 HydrophobicContact CG2-CB 3.88Å |
| 252 | Y | 97.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 11% | 0.106 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.6 | -174.9 | -56.5 | -109.6 | 0 | 0 | 0 | 109.6 | F237 F238 S240 L250 G254 P256 F259 A261 | F237-Y252 WeakPolarHBondContact CA-O 3.43Å; F237-Y252 WeakPolarHBondContact CD1-O 3.24Å; F238-Y252 PolarHBondContact N-O 2.79Å; F238-Y252 WeakPolarHBondContact O-CD2 3.16Å; F238-Y252 PolarHBondContact O-N 3.42Å; S240-Y252 WeakPolarHBondContact OG-CE2 3.2Å; S240-Y252 PolarHBondContact OG-OH 3.18Å; S240-Y252 VanDerWaalsContact OG-OH 3.07Å; L250-Y252 HydrophobicContact CB-CD2 4.28Å; L250-Y252 HydrophobicContact CB-CE2 3.43Å; L250-Y252 VanDerWaalsContact CB-CE2 3.43Å; L250-Y252 HydrophobicContact CD1-CE2 4.41Å; L250-Y252 VanDerWaalsContact CD1-OH 3.24Å; L250-Y252 WeakPolarHBondContact CD1-OH 3.36Å; L250-Y252 WeakPolarHBondContact O-CD2 3.35Å; L250-Y252 WeakPolarHBondContact O-CE2 3.36Å; Y252-G254 WeakPolarHBondContact CB-O 3.4Å; Y252-G254 PolarHBondContact O-N 2.99Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; Y252-P256 HydrophobicContact CD1-CB 3.92Å; Y252-P256 HydrophobicContact CD1-CG 4.01Å; Y252-P256 HydrophobicContact CD2-CG 3.89Å; Y252-P256 HydrophobicContact CE1-CB 3.68Å; Y252-P256 HydrophobicContact CE1-CG 4.09Å; Y252-P256 HydrophobicContact CE2-CB 4.34Å; Y252-P256 HydrophobicContact CE2-CG 3.98Å; Y252-P256 HydrophobicContact CG-CB 4.35Å; Y252-P256 HydrophobicContact CG-CG 3.91Å; Y252-F259 WeakPolarHBondContact CD1-O 3.4Å; Y252-A261 HydrophobicContact CD1-CB 3.88Å; Y252-A261 HydrophobicContact CD2-CB 4.21Å; Y252-A261 HydrophobicContact CE1-CB 3.68Å; Y252-A261 VanDerWaalsContact CE1-N 3.35Å; Y252-A261 HydrophobicContact CE2-CB 4.02Å; Y252-A261 HydrophobicContact CG-CB 4.14Å |
| 253 | P | 97.1 | Very high | 94 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -68.4 | -5.6 | 176.5 | 32.9 | -39.7 | 0 | 0 | 0 | 113.6 | F259 | P253-F259 HydrophobicContact CG-CB 4.11Å; P253-F259 HydrophobicContact CG-CD1 3.74Å; P253-F259 HydrophobicContact CG-CE1 4.49Å; P253-F259 HydrophobicContact CG-CG 4.11Å |
| 254 | G | 95.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -172.5 | -166.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F238 Y252 P256 | F238-G254 WeakPolarHBondContact CB-O 3.37Å; Y252-G254 WeakPolarHBondContact CB-O 3.4Å; Y252-G254 PolarHBondContact O-N 2.99Å; Y252-G254 VanDerWaalsContact O-N 3.1Å; G254-P256 WeakPolarHBondContact O-CD 3.44Å |
| 255 | D | 92.9 | Very high | 94.7 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | trans | -52.4 | 124.3 | -175.8 | -174.1 | -29.3 | 0 | 0 | 0 | 112.2 | R23 F238 L257 R258 F259 | R23-D255 WeakPolarHBondContact CD-OD2 3.5Å; R23-D255 WeakPolarHBondContact CG-OD2 3.42Å; R23-D255 IonicContact CZ-OD1 2.74Å; R23-D255 IonicContact CZ-OD2 3.7Å; R23-D255 IonicContact NE-OD2 3.83Å; R23-D255 IonicContact NH1-OD1 2.85Å; R23-D255 PolarHBondContact NH1-OD1 3.01Å; R23-D255 IonicContact NH1-OD2 2.8Å; R23-D255 PolarHBondContact NH1-OD2 3.15Å; F238-D255 HydrophobicContact CE1-CB 4.31Å; F238-D255 HydrophobicContact CZ-CB 4.21Å; D255-L257 PolarHBondContact O-N 2.77Å; D255-L257 WeakPolarHBondContact OD1-CB 3.48Å; D255-L257 PolarHBondContact OD1-N 3.34Å; D255-R258 PolarHBondContact O-N 3.21Å; D255-F259 WeakPolarHBondContact O-CD2 3.46Å; D255-F259 PolarHBondContact O-N 2.85Å | ||
| 256 | P | 92.3 | Very high | 95 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 25% | 0.253 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -15.2 | 176.3 | -27.8 | 35.6 | 0 | 0 | 0 | 116.4 | F238 Y252 G254 R258 | F238-P256 HydrophobicContact CB-CG 4.09Å; F238-P256 HydrophobicContact CD1-CG 4.46Å; Y252-P256 HydrophobicContact CD1-CB 3.92Å; Y252-P256 HydrophobicContact CD1-CG 4.01Å; Y252-P256 HydrophobicContact CD2-CG 3.89Å; Y252-P256 HydrophobicContact CE1-CB 3.68Å; Y252-P256 HydrophobicContact CE1-CG 4.09Å; Y252-P256 HydrophobicContact CE2-CB 4.34Å; Y252-P256 HydrophobicContact CE2-CG 3.98Å; Y252-P256 HydrophobicContact CG-CB 4.35Å; Y252-P256 HydrophobicContact CG-CG 3.91Å; G254-P256 WeakPolarHBondContact O-CD 3.44Å; P256-R258 VanDerWaalsContact C-N 3.34Å |
| 257 | L | 88.6 | Confident | 95.3 | Very high | 92 Ų | 92 | 47 Ų | 47 | 48% | 0.482 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -21.6 | 170.9 | -73 | -177.3 | 0 | 0 | 0 | 113.2 | R45 D255 | R45-L257 HydrophobicContact CG-CD2 4.1Å; D255-L257 PolarHBondContact O-N 2.77Å; D255-L257 WeakPolarHBondContact OD1-CB 3.48Å; D255-L257 PolarHBondContact OD1-N 3.34Å |
| 258 | R | 90.4 | Very high | 95.4 | Very high | 214 Ų | 214 | 48.3 Ų | 48.3 | 81% | 0.808 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | -26.3 | -177.1 | -59.7 | -177.4 | -174.8 | -167.5 | 1.9 | 112.7 | D255 P256 | D255-R258 PolarHBondContact O-N 3.21Å; P256-R258 VanDerWaalsContact C-N 3.34Å |
| 259 | F | 93.2 | Very high | 95.2 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | trans | -118.9 | 148.4 | -174.7 | -64.7 | -90 | 0 | 0 | 0 | 111.9 | Y252 P253 D255 | Y252-F259 WeakPolarHBondContact CD1-O 3.4Å; P253-F259 HydrophobicContact CG-CB 4.11Å; P253-F259 HydrophobicContact CG-CD1 3.74Å; P253-F259 HydrophobicContact CG-CE1 4.49Å; P253-F259 HydrophobicContact CG-CG 4.11Å; D255-F259 WeakPolarHBondContact O-CD2 3.46Å; D255-F259 PolarHBondContact O-N 2.85Å | ||
| 260 | H | 93.9 | Very high | 94.8 | Very high | 160 Ų | 160 | 50 Ų | 50 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | trans | -86.5 | 147.9 | 166.6 | -64.5 | -56 | 0 | 0 | 0 | 110.3 | H262 | H260-H262 PolarHBondContact O-CD2 3.33Å; H260-H262 PolarHBondContact O-N 2.79Å | ||
| 261 | A | 95.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | trans | -63.6 | 130.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L250 V251 Y252 K291 | L250-A261 HydrophobicContact CB-CB 3.83Å; L250-A261 HydrophobicContact CD1-CB 4.31Å; L250-A261 HydrophobicContact CD2-CB 3.98Å; L250-A261 HydrophobicContact CG-CB 4.27Å; V251-A261 CarbonylContact O-C 3.27Å; V251-A261 WeakPolarHBondContact O-CA 3.27Å; Y252-A261 HydrophobicContact CD1-CB 3.88Å; Y252-A261 HydrophobicContact CD2-CB 4.21Å; Y252-A261 HydrophobicContact CE1-CB 3.68Å; Y252-A261 VanDerWaalsContact CE1-N 3.35Å; Y252-A261 HydrophobicContact CE2-CB 4.02Å; Y252-A261 HydrophobicContact CG-CB 4.14Å; A261-K291 HydrophobicContact CB-CD 4.14Å; A261-K291 PolarHBondContact O-NZ 3.49Å | ||
| 262 | H | 94.9 | Very high | 94 | Very high | 95 Ų | 95 | 61.2 Ų | 61.2 | 44% | 0.44 | 31% | 0.307 | S | S | . | . | trans | -86.2 | -35.6 | 174.6 | -71.4 | -174.9 | 0 | 0 | 0 | 111 | V251 H260 T292 | V251-H262 PolarHBondContact O-N 2.79Å; H260-H262 PolarHBondContact O-CD2 3.33Å; H260-H262 PolarHBondContact O-N 2.79Å; H262-T292 PolarHBondContact O-N 3.08Å; H262-T292 VanDerWaalsContact O-N 3.09Å | ||
| 263 | Y | 96.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.7 | -172.6 | -44.8 | -79.1 | 0 | 0 | 0 | 112.8 | V251 T292 L294 | V251-Y263 HydrophobicContact CB-CD2 4.05Å; V251-Y263 HydrophobicContact CG1-CD2 4.18Å; V251-Y263 PolarHBondContact N-O 3.09Å; V251-Y263 PolarHBondContact O-N 2.9Å; Y263-T292 CarbonylContact C-O 3.6Å; Y263-T292 WeakPolarHBondContact CA-O 3.25Å; Y263-T292 HydrophobicContact CD1-CG2 4.17Å; Y263-T292 HydrophobicContact CE1-CG2 4.39Å; Y263-L294 VanDerWaalsContact CB-CD1 3.5Å; Y263-L294 HydrophobicContact CD1-CD1 3.62Å; Y263-L294 HydrophobicContact CD1-CD2 4.01Å; Y263-L294 HydrophobicContact CD1-CG 3.71Å; Y263-L294 HydrophobicContact CD2-CD1 3.98Å; Y263-L294 HydrophobicContact CE1-CD1 4.35Å; Y263-L294 HydrophobicContact CE1-CD2 4.45Å; Y263-L294 HydrophobicContact CG-CD1 3.42Å; Y263-L294 VanDerWaalsContact CG-CD1 3.42Å; Y263-L294 HydrophobicContact CG-CG 3.91Å |
| 264 | I | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.2 | 162.1 | -61.2 | 160.9 | 0 | 0 | 0 | 105.8 | A242 F245 L250 V289 K291 T292 L293 L294 | A242-I264 HydrophobicContact CB-CG2 4.34Å; F245-I264 HydrophobicContact CB-CD1 3.9Å; F245-I264 HydrophobicContact CB-CG1 4.15Å; L250-I264 HydrophobicContact CD2-CG1 3.89Å; I264-V289 HydrophobicContact CD1-CG2 3.87Å; I264-K291 HydrophobicContact CD1-CB 3.82Å; I264-K291 HydrophobicContact CD1-CD 4.25Å; I264-K291 HydrophobicContact CG1-CB 3.91Å; I264-K291 HydrophobicContact CG1-CD 3.97Å; I264-T292 PolarHBondContact N-O 3.35Å; I264-L293 HydrophobicContact CB-CD1 4.35Å; I264-L293 HydrophobicContact CG2-CD1 4.21Å; I264-L293 CarbonylContact O-C 3.59Å; I264-L293 WeakPolarHBondContact O-CA 3.41Å; I264-L294 PolarHBondContact O-N 3.33Å |
| 265 | A | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D248 F249 V251 L294 | D248-A265 PolarHBondContact N-O 3.31Å; F249-A265 HydrophobicContact CB-CB 4.24Å; F249-A265 PolarHBondContact N-O 2.77Å; F249-A265 PolarHBondContact O-N 3.3Å; V251-A265 HydrophobicContact CG2-CB 3.88Å; A265-L294 CarbonylContact C-O 3.59Å; A265-L294 WeakPolarHBondContact CA-O 3.41Å |
| 266 | Q | 96.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 73.5 Ų | 73.5 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.2 | 168.2 | -71.3 | -176.7 | 4.5 | 0 | 0 | 109.7 | G246 D248 L293 L294 L295 C296 | G246-Q266 PolarHBondContact O-NE2 2.98Å; D248-Q266 WeakPolarHBondContact OD2-CA 3.42Å; Q266-L293 HydrophobicContact CG-CD1 3.97Å; Q266-L294 PolarHBondContact N-O 2.81Å; Q266-L295 HydrophobicContact CB-CD2 4.41Å; Q266-C296 WeakPolarHBondContact O-CB 3.32Å; Q266-C296 PolarHBondContact O-N 3.16Å |
| 267 | C | 96.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 79.2 Ų | 79.2 | 10% | 0.101 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.5 | -176.2 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | L224 R225 I228 D248 | L224-C267 HydrophobicContact CD2-CB 4.41Å; L224-C267 HydrophobicContact CG-CB 4.2Å; R225-C267 HydrophobicContact CG-CB 3.97Å; I228-C267 HydrophobicContact CD1-CB 3.44Å; I228-C267 VanDerWaalsContact CD1-CB 3.44Å; I228-C267 WeakPolarHBondContact CD1-SG 3.35Å; D248-C267 PolarHBondContact OD2-N 3.29Å |
| 268 | W | 95.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 78.5 Ų | 78.5 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | trans | -126.7 | 136.6 | -180 | -66.8 | 91.3 | 0 | 0 | 0 | 109.5 | D272 I274 C296 S297 | W268-D272 HydrophobicContact CE3-CB 4.42Å; W268-I274 HydrophobicContact CD2-CD1 4.09Å; W268-I274 HydrophobicContact CD2-CG1 3.84Å; W268-I274 HydrophobicContact CE3-CG1 3.77Å; W268-I274 HydrophobicContact CG-CD1 4.19Å; W268-I274 HydrophobicContact CG-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CB 4.42Å; W268-I274 HydrophobicContact CH2-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CG2 3.93Å; W268-I274 HydrophobicContact CZ2-CG1 4.44Å; W268-I274 HydrophobicContact CZ2-CG2 3.9Å; W268-I274 HydrophobicContact CZ3-CB 4.38Å; W268-I274 HydrophobicContact CZ3-CG1 4.04Å; W268-I274 HydrophobicContact CZ3-CG2 4.39Å; W268-C296 PolarHBondContact N-O 3.38Å; W268-S297 VanDerWaalsContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CB 3.28Å; W268-S297 PolarHBondContact O-OG 3.32Å | ||
| 269 | A | 94.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 71 Ų | 71 | 28% | 0.281 | 37% | 0.374 | S | S | . | . | trans | -64.4 | 149.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D271 D272 | A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.16Å; A269-D272 HydrophobicContact CB-CB 4.16Å; A269-D272 VanDerWaalsContact CB-OD2 3.28Å; A269-D272 WeakPolarHBondContact CB-OD2 3.46Å; A269-D272 PolarHBondContact O-N 2.74Å; A269-D272 VanDerWaalsContact O-N 3.13Å | ||
| 270 | A | 88.9 | Confident | 93.3 | Very high | 47 Ų | 47 | 69.7 Ų | 69.7 | 39% | 0.388 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 271 | D | 88 | Confident | 93.2 | Very high | 157 Ų | 157 | 65 Ų | 65 | 84% | 0.84 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 2.9 | -176.5 | -55.8 | -50.9 | 0 | 0 | 0 | 113.2 | A269 | A269-D271 PolarHBondContact O-N 3.38Å; A269-D271 VanDerWaalsContact O-N 3.16Å |
| 272 | D | 90.6 | Very high | 92.8 | Very high | 87 Ų | 87 | 64.9 Ų | 64.9 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -74.4 | 125.9 | -179.4 | -81.8 | -10.1 | 0 | 0 | 0 | 110.1 | W268 A269 I274 | W268-D272 HydrophobicContact CE3-CB 4.42Å; A269-D272 HydrophobicContact CB-CB 4.16Å; A269-D272 VanDerWaalsContact CB-OD2 3.28Å; A269-D272 WeakPolarHBondContact CB-OD2 3.46Å; A269-D272 PolarHBondContact O-N 2.74Å; A269-D272 VanDerWaalsContact O-N 3.13Å; D272-I274 PolarHBondContact O-N 2.92Å | ||
| 273 | P | 92.4 | Very high | 92.5 | Very high | 112 Ų | 112 | 61 Ų | 61 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | trans | -66.4 | 131.4 | 174.2 | 27.8 | -33.2 | 0 | 0 | 0 | 109.7 | P275 | P273-P275 WeakPolarHBondContact O-CD 3.49Š| ||
| 274 | I | 91.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 32% | 0.323 | 36% | 0.364 | S | S | . | . | trans | -91.2 | 115.2 | 175.3 | -55.3 | 179.9 | 0 | 0 | 0 | 108.5 | W268 D272 L276 L279 L295 | W268-I274 HydrophobicContact CD2-CD1 4.09Å; W268-I274 HydrophobicContact CD2-CG1 3.84Å; W268-I274 HydrophobicContact CE3-CG1 3.77Å; W268-I274 HydrophobicContact CG-CD1 4.19Å; W268-I274 HydrophobicContact CG-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CB 4.42Å; W268-I274 HydrophobicContact CH2-CG1 4.38Å; W268-I274 HydrophobicContact CH2-CG2 3.93Å; W268-I274 HydrophobicContact CZ2-CG1 4.44Å; W268-I274 HydrophobicContact CZ2-CG2 3.9Å; W268-I274 HydrophobicContact CZ3-CB 4.38Å; W268-I274 HydrophobicContact CZ3-CG1 4.04Å; W268-I274 HydrophobicContact CZ3-CG2 4.39Å; D272-I274 PolarHBondContact O-N 2.92Å; I274-L276 PolarHBondContact O-N 3.24Å; I274-L279 HydrophobicContact CG2-CB 4.38Å; I274-L295 HydrophobicContact CD1-CD1 3.69Å; I274-L295 HydrophobicContact CD1-CD2 4.43Å | ||
| 275 | P | 92.9 | Very high | 91.7 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | trans | -60.5 | 133.4 | 175 | -23 | 35.5 | 0 | 0 | 0 | 110.8 | P273 Q277 D278 L279 | P273-P275 WeakPolarHBondContact O-CD 3.49Å; P275-Q277 PolarHBondContact O-N 3.05Å; P275-Q277 VanDerWaalsContact O-N 3.13Å; P275-D278 HydrophobicContact CB-CB 4.35Å; P275-D278 WeakPolarHBondContact CD-OD2 3.44Å; P275-D278 VanDerWaalsContact CG-OD2 3.3Å; P275-D278 WeakPolarHBondContact CG-OD2 3.36Å; P275-D278 WeakPolarHBondContact O-CB 3.35Å; P275-D278 PolarHBondContact O-N 3.3Å; P275-L279 PolarHBondContact O-N 3.4Å; P275-L279 VanDerWaalsContact O-N 3.12Å | ||
| 276 | L | 92 | Very high | 91.1 | Very high | 131 Ų | 131 | 70.3 Ų | 70.3 | 69% | 0.686 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -57.6 | -33.5 | -179 | -177.5 | 61.5 | 0 | 0 | 0 | 112.4 | I274 D278 L279 V280 | I274-L276 PolarHBondContact O-N 3.24Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 2.89Å; L276-L279 HydrophobicContact CD1-CD2 4.26Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-V280 HydrophobicContact CD1-CG2 4.47Å; L276-V280 VanDerWaalsContact O-CG2 3.32Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.31Å |
| 277 | Q | 93.1 | Very high | 90.7 | Very high | 160 Ų | 160 | 72.9 Ų | 72.9 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 177 | -60.4 | -177.9 | 21.8 | 0 | 0 | 112.2 | P275 S281 | P275-Q277 PolarHBondContact O-N 3.05Å; P275-Q277 VanDerWaalsContact O-N 3.13Å; Q277-S281 VanDerWaalsContact O-CB 3.28Å; Q277-S281 WeakPolarHBondContact O-CB 3.31Å; Q277-S281 PolarHBondContact O-N 3.21Å; Q277-S281 PolarHBondContact O-OG 3.27Å |
| 278 | D | 90.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 76.2 Ų | 76.2 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 176.9 | -66.4 | -16.9 | 0 | 0 | 0 | 110.1 | P275 L276 S281 A282 | P275-D278 HydrophobicContact CB-CB 4.35Å; P275-D278 WeakPolarHBondContact CD-OD2 3.44Å; P275-D278 VanDerWaalsContact CG-OD2 3.3Å; P275-D278 WeakPolarHBondContact CG-OD2 3.36Å; P275-D278 WeakPolarHBondContact O-CB 3.35Å; P275-D278 PolarHBondContact O-N 3.3Å; L276-D278 VanDerWaalsContact C-N 3.33Å; L276-D278 PolarHBondContact O-N 2.89Å; D278-S281 PolarHBondContact O-N 2.98Å; D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 2.97Å |
| 279 | L | 90.1 | Very high | 89.9 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 29% | 0.293 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.7 | -169 | 70.8 | 0 | 0 | 0 | 112.1 | I274 P275 L276 A282 G283 L295 L309 | I274-L279 HydrophobicContact CG2-CB 4.38Å; P275-L279 PolarHBondContact O-N 3.4Å; P275-L279 VanDerWaalsContact O-N 3.12Å; L276-L279 HydrophobicContact CD1-CD2 4.26Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 3.42Å; L279-A282 PolarHBondContact O-N 3.12Å; L279-G283 PolarHBondContact O-N 3.41Å; L279-L295 HydrophobicContact CD1-CD1 4.33Å; L279-L309 HydrophobicContact CD1-CD1 3.29Å; L279-L309 HydrophobicContact CD1-CD2 4.3Å; L279-L309 HydrophobicContact CD1-CG 4.43Å; L279-L309 HydrophobicContact CG-CD1 4.47Å |
| 280 | V | 91.2 | Very high | 89.7 | Confident | 67 Ų | 67 | 86.3 Ų | 86.3 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.2 | 171 | 0 | 0 | 0 | 0 | 110.9 | L276 G283 R284 W311 | L276-V280 HydrophobicContact CD1-CG2 4.47Å; L276-V280 VanDerWaalsContact O-CG2 3.32Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.31Å; V280-G283 PolarHBondContact O-N 2.88Å; V280-R284 WeakPolarHBondContact O-CB 3.35Å; V280-R284 PolarHBondContact O-N 2.96Å; V280-W311 HydrophobicContact CG1-CH2 4.24Å; V280-W311 HydrophobicContact CG1-CZ3 4.25Å |
| 281 | S | 90 | Very high | 89.8 | Confident | 62 Ų | 62 | 86 Ų | 86 | 43% | 0.434 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 178.6 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | Q277 D278 R284 L285 | Q277-S281 VanDerWaalsContact O-CB 3.28Å; Q277-S281 WeakPolarHBondContact O-CB 3.31Å; Q277-S281 PolarHBondContact O-N 3.21Å; Q277-S281 PolarHBondContact O-OG 3.27Å; D278-S281 PolarHBondContact O-N 2.98Å; S281-R284 PolarHBondContact O-N 2.87Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 2.85Å |
| 282 | A | 88.2 | Confident | 90.1 | Very high | 4 Ų | 4 | 80.5 Ų | 80.5 | 3% | 0.033 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D278 L279 R284 L285 G286 L293 | D278-A282 WeakPolarHBondContact O-CB 3.48Å; D278-A282 PolarHBondContact O-N 2.97Å; L279-A282 PolarHBondContact O-N 3.12Å; A282-R284 PolarHBondContact O-N 2.83Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-G286 PolarHBondContact O-N 3.42Å; A282-L293 HydrophobicContact CB-CD1 4.13Å; A282-L293 HydrophobicContact CB-CD2 3.32Å; A282-L293 HydrophobicContact CB-CG 4.39Å |
| 283 | G | 88.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 76.6 Ų | 76.6 | 12% | 0.124 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L279 V280 T287 | L279-G283 PolarHBondContact O-N 3.41Å; V280-G283 PolarHBondContact O-N 2.88Å; G283-T287 WeakPolarHBondContact O-CB 3.38Å; G283-T287 PolarHBondContact O-N 2.74Å; G283-T287 PolarHBondContact O-OG1 3.42Å |
| 284 | R | 88.3 | Confident | 90.5 | Very high | 193 Ų | 193 | 72.1 Ų | 72.1 | 73% | 0.728 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 175.5 | -178.3 | -179.2 | 174.8 | -172 | -0.6 | 112 | V280 S281 A282 S288 | V280-R284 WeakPolarHBondContact O-CB 3.35Å; V280-R284 PolarHBondContact O-N 2.96Å; S281-R284 PolarHBondContact O-N 2.87Å; A282-R284 PolarHBondContact O-N 2.83Å; R284-S288 PolarHBondContact O-N 2.7Å; R284-S288 VanDerWaalsContact O-N 3.09Å |
| 285 | L | 87.7 | Confident | 90.7 | Very high | 73 Ų | 73 | 70 Ų | 70 | 38% | 0.382 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 179.8 | -72.8 | 174.1 | 0 | 0 | 0 | 111.2 | S281 A282 T287 S288 V289 | S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 2.85Å; A282-L285 PolarHBondContact O-N 2.81Å; L285-T287 PolarHBondContact O-N 3.06Å; L285-S288 PolarHBondContact O-N 3.09Å; L285-S288 PolarHBondContact O-OG 3.26Å; L285-V289 PolarHBondContact O-N 2.94Å |
| 286 | G | 86 | Confident | 90.9 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A282 S288 V289 R290 K291 | A282-G286 PolarHBondContact O-N 3.42Å; G286-S288 VanDerWaalsContact C-N 3.34Å; G286-S288 PolarHBondContact O-N 2.89Å; G286-V289 PolarHBondContact O-N 2.92Å; G286-R290 PolarHBondContact O-N 2.85Å; G286-R290 VanDerWaalsContact O-N 3.12Å; G286-K291 CarbonylContact C-O 3.25Å; G286-K291 PolarHBondContact O-N 3.33Å |
| 287 | T | 86.8 | Confident | 91.1 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.8 | -53 | 0 | 0 | 0 | 0 | 111.8 | G283 L285 V289 R290 W311 | G283-T287 WeakPolarHBondContact O-CB 3.38Å; G283-T287 PolarHBondContact O-N 2.74Å; G283-T287 PolarHBondContact O-OG1 3.42Å; L285-T287 PolarHBondContact O-N 3.06Å; T287-V289 VanDerWaalsContact C-N 3.26Å; T287-V289 PolarHBondContact O-N 3.4Å; T287-R290 PolarHBondContact O-N 2.94Å; T287-W311 VanDerWaalsContact OG1-CB 3.3Å; T287-W311 WeakPolarHBondContact OG1-CB 3.47Å |
| 288 | S | 87.1 | Confident | 91.2 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 60% | 0.601 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.6 | -31.4 | -178.9 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | R284 L285 G286 | R284-S288 PolarHBondContact O-N 2.7Å; R284-S288 VanDerWaalsContact O-N 3.09Å; L285-S288 PolarHBondContact O-N 3.09Å; L285-S288 PolarHBondContact O-OG 3.26Å; G286-S288 VanDerWaalsContact C-N 3.34Å; G286-S288 PolarHBondContact O-N 2.89Å |
| 289 | V | 88.3 | Confident | 91.4 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 30% | 0.303 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.4 | -179.9 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | F245 I264 L285 G286 T287 K291 | F245-V289 HydrophobicContact CD1-CB 4.26Å; F245-V289 HydrophobicContact CD1-CG1 3.89Å; F245-V289 HydrophobicContact CD1-CG2 3.94Å; F245-V289 HydrophobicContact CE1-CB 4.3Å; F245-V289 HydrophobicContact CE1-CG1 3.93Å; F245-V289 HydrophobicContact CE1-CG2 4.42Å; I264-V289 HydrophobicContact CD1-CG2 3.87Å; L285-V289 PolarHBondContact O-N 2.94Å; G286-V289 PolarHBondContact O-N 2.92Å; T287-V289 VanDerWaalsContact C-N 3.26Å; T287-V289 PolarHBondContact O-N 3.4Å; V289-K291 VanDerWaalsContact C-N 3.33Å; V289-K291 HydrophobicContact CG2-CB 4.06Å; V289-K291 HydrophobicContact CG2-CD 4.04Å; V289-K291 HydrophobicContact CG2-CG 3.88Å; V289-K291 PolarHBondContact O-N 2.97Å |
| 290 | R | 89.8 | Confident | 91.3 | Very high | 238 Ų | 238 | 58.8 Ų | 58.8 | 90% | 0.898 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 48.5 | -177.9 | -58.5 | -178.7 | 178.9 | 178 | -1.4 | 112.6 | G286 T287 | G286-R290 PolarHBondContact O-N 2.85Å; G286-R290 VanDerWaalsContact O-N 3.12Å; T287-R290 PolarHBondContact O-N 2.94Å |
| 291 | K | 92.5 | Very high | 91.3 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 17% | 0.174 | 32% | 0.318 | C | S | . | . | trans | -123.4 | 142.4 | 174.8 | -63.1 | -173.1 | -167.5 | -40.6 | 0 | 110.2 | L250 A261 I264 G286 V289 | L250-K291 HydrophobicContact CD2-CD 4.15Å; A261-K291 HydrophobicContact CB-CD 4.14Å; A261-K291 PolarHBondContact O-NZ 3.49Å; I264-K291 HydrophobicContact CD1-CB 3.82Å; I264-K291 HydrophobicContact CD1-CD 4.25Å; I264-K291 HydrophobicContact CG1-CB 3.91Å; I264-K291 HydrophobicContact CG1-CD 3.97Å; G286-K291 CarbonylContact C-O 3.25Å; G286-K291 PolarHBondContact O-N 3.33Å; V289-K291 VanDerWaalsContact C-N 3.33Å; V289-K291 HydrophobicContact CG2-CB 4.06Å; V289-K291 HydrophobicContact CG2-CD 4.04Å; V289-K291 HydrophobicContact CG2-CG 3.88Å; V289-K291 PolarHBondContact O-N 2.97Å | ||
| 292 | T | 94.2 | Very high | 91 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | H262 Y263 I264 | H262-T292 PolarHBondContact O-N 3.08Å; H262-T292 VanDerWaalsContact O-N 3.09Å; Y263-T292 CarbonylContact C-O 3.6Å; Y263-T292 WeakPolarHBondContact CA-O 3.25Å; Y263-T292 HydrophobicContact CD1-CG2 4.17Å; Y263-T292 HydrophobicContact CE1-CG2 4.39Å; I264-T292 PolarHBondContact N-O 3.35Å |
| 293 | L | 95.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.5 | 174.5 | 179.6 | 71 | 0 | 0 | 0 | 109 | I264 Q266 A282 S308 L309 | I264-L293 HydrophobicContact CB-CD1 4.35Å; I264-L293 HydrophobicContact CG2-CD1 4.21Å; I264-L293 CarbonylContact O-C 3.59Å; I264-L293 WeakPolarHBondContact O-CA 3.41Å; Q266-L293 HydrophobicContact CG-CD1 3.97Å; A282-L293 HydrophobicContact CB-CD1 4.13Å; A282-L293 HydrophobicContact CB-CD2 3.32Å; A282-L293 HydrophobicContact CB-CG 4.39Å; L293-S308 CarbonylContact O-C 3.55Å; L293-S308 WeakPolarHBondContact O-CA 3.32Å; L293-L309 HydrophobicContact CB-CB 4.25Å; L293-L309 HydrophobicContact CD2-CB 4.19Å; L293-L309 HydrophobicContact CD2-CD1 3.54Å; L293-L309 HydrophobicContact CD2-CG 4.5Å; L293-L309 HydrophobicContact CG-CD1 4.23Å; L293-L309 PolarHBondContact O-N 2.97Å |
| 294 | L | 96.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.2 | 174.7 | -66.6 | -178.6 | 0 | 0 | 0 | 109.5 | Y263 I264 A265 Q266 C296 | Y263-L294 VanDerWaalsContact CB-CD1 3.5Å; Y263-L294 HydrophobicContact CD1-CD1 3.62Å; Y263-L294 HydrophobicContact CD1-CD2 4.01Å; Y263-L294 HydrophobicContact CD1-CG 3.71Å; Y263-L294 HydrophobicContact CD2-CD1 3.98Å; Y263-L294 HydrophobicContact CE1-CD1 4.35Å; Y263-L294 HydrophobicContact CE1-CD2 4.45Å; Y263-L294 HydrophobicContact CG-CD1 3.42Å; Y263-L294 VanDerWaalsContact CG-CD1 3.42Å; Y263-L294 HydrophobicContact CG-CG 3.91Å; I264-L294 PolarHBondContact O-N 3.33Å; A265-L294 CarbonylContact C-O 3.59Å; A265-L294 WeakPolarHBondContact CA-O 3.41Å; Q266-L294 PolarHBondContact N-O 2.81Å; L294-C296 PolarHBondContact O-SG 3.13Å; L294-C296 VanDerWaalsContact O-SG 3.42Å |
| 295 | L | 95.6 | Very high | 92 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.2 | 163.5 | -55.3 | -178.8 | 0 | 0 | 0 | 107.9 | Q266 I274 L279 Y306 T307 L309 | Q266-L295 HydrophobicContact CB-CD2 4.41Å; I274-L295 HydrophobicContact CD1-CD1 3.69Å; I274-L295 HydrophobicContact CD1-CD2 4.43Å; L279-L295 HydrophobicContact CD1-CD1 4.33Å; L295-Y306 WeakPolarHBondContact O-CA 3.37Å; L295-T307 PolarHBondContact N-O 2.75Å; L295-T307 PolarHBondContact O-N 3.13Å; L295-L309 HydrophobicContact CD1-CD1 3.67Å; L295-L309 HydrophobicContact CD1-CG 4.34Å; L295-L309 HydrophobicContact CD2-CD1 3.9Å; L295-L309 HydrophobicContact CG-CD1 3.61Å; L295-L309 HydrophobicContact CG-CG 4.33Å |
| 296 | C | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.1 | -173.5 | -51.3 | 0 | 0 | 0 | 0 | 108.8 | I228 Q266 W268 L294 V304 V305 Y306 | I228-C296 HydrophobicContact CD1-CB 3.85Å; I228-C296 WeakPolarHBondContact CD1-O 3.45Å; I228-C296 HydrophobicContact CG1-CB 4.12Å; I228-C296 HydrophobicContact CG2-CB 3.65Å; Q266-C296 WeakPolarHBondContact O-CB 3.32Å; Q266-C296 PolarHBondContact O-N 3.16Å; W268-C296 PolarHBondContact N-O 3.38Å; L294-C296 PolarHBondContact O-SG 3.13Å; L294-C296 VanDerWaalsContact O-SG 3.42Å; C296-V304 HydrophobicContact CB-CG1 4.34Å; C296-V305 WeakPolarHBondContact CA-O 3.28Å; C296-Y306 HydrophobicContact CB-CD1 4.07Å; C296-Y306 HydrophobicContact CB-CE1 3.97Å; C296-Y306 WeakPolarHBondContact SG-CD1 3.42Å |
| 297 | S | 96.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 118.6 | -178.3 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | W268 V305 | W268-S297 VanDerWaalsContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CA 3.28Å; W268-S297 WeakPolarHBondContact O-CB 3.28Å; W268-S297 PolarHBondContact O-OG 3.32Å; S297-V305 PolarHBondContact N-O 2.97Å; S297-V305 PolarHBondContact O-N 3.5Å |
| 298 | P | 95.6 | Very high | 93.2 | Very high | 32 Ų | 32 | 63.2 Ų | 63.2 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 141.9 | 173.7 | 31 | -34.7 | 0 | 0 | 0 | 110.1 | L224 V304 | L224-P298 HydrophobicContact CD1-CG 3.48Å; L224-P298 VanDerWaalsContact CD1-CG 3.48Å; P298-V304 HydrophobicContact CB-CG2 4.47Å |
| 299 | Q | 94.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | trans | -103.8 | 160 | 178.6 | -62.4 | -58.3 | -52 | 0 | 0 | 110.7 | D301 G302 K303 V305 | Q299-D301 VanDerWaalsContact CB-OD1 3.25Å; Q299-D301 WeakPolarHBondContact CB-OD1 3.3Å; Q299-D301 PolarHBondContact O-N 2.96Å; Q299-D301 VanDerWaalsContact O-N 3.15Å; Q299-G302 PolarHBondContact O-N 3.46Å; Q299-K303 WeakPolarHBondContact CB-O 3.16Å; Q299-K303 PolarHBondContact N-O 3.12Å; Q299-V305 HydrophobicContact CG-CB 4.36Å; Q299-V305 HydrophobicContact CG-CG2 3.48Å; Q299-V305 VanDerWaalsContact CG-CG2 3.48Å | ||
| 300 | P | 88.5 | Confident | 93.1 | Very high | 132 Ų | 132 | 66.8 Ų | 66.8 | 86% | 0.857 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.3 | 176.9 | -25.2 | 35 | 0 | 0 | 0 | 114.4 | G302 | P300-G302 PolarHBondContact O-N 3.38Š|
| 301 | D | 89.3 | Confident | 92.9 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.4 | 176.5 | 77 | -18.2 | 0 | 0 | 0 | 113.6 | Q299 K303 | Q299-D301 VanDerWaalsContact CB-OD1 3.25Å; Q299-D301 WeakPolarHBondContact CB-OD1 3.3Å; Q299-D301 PolarHBondContact O-N 2.96Å; Q299-D301 VanDerWaalsContact O-N 3.15Å; D301-K303 VanDerWaalsContact C-N 3.33Å; D301-K303 WeakPolarHBondContact OD1-CB 3.41Å; D301-K303 PolarHBondContact OD1-N 3.34Å; D301-K303 WeakPolarHBondContact OD2-CD 3.35Å; D301-K303 IonicContact OD2-NZ 2.61Å |
| 302 | G | 85 | Confident | 92.4 | Very high | 63 Ų | 63 | 65 Ų | 65 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 85.6 | -4.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q299 P300 | Q299-G302 PolarHBondContact O-N 3.46Å; P300-G302 PolarHBondContact O-N 3.38Å |
| 303 | K | 92.1 | Very high | 91.5 | Very high | 135 Ų | 135 | 67.3 Ų | 67.3 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 155.1 | 176.2 | -62.5 | 179.9 | -170.8 | 154.7 | 0 | 111.2 | Q299 D301 | Q299-K303 WeakPolarHBondContact CB-O 3.16Å; Q299-K303 PolarHBondContact N-O 3.12Å; D301-K303 VanDerWaalsContact C-N 3.33Å; D301-K303 WeakPolarHBondContact OD1-CB 3.41Å; D301-K303 PolarHBondContact OD1-N 3.34Å; D301-K303 WeakPolarHBondContact OD2-CD 3.35Å; D301-K303 IonicContact OD2-NZ 2.61Å |
| 304 | V | 96.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 75.7 Ų | 75.7 | 6% | 0.061 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.4 | 170.6 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | I228 D231 C296 P298 Y306 | I228-V304 HydrophobicContact CG1-CG1 3.96Å; I228-V304 HydrophobicContact CG1-CG2 4.33Å; D231-V304 HydrophobicContact CB-CB 4.21Å; D231-V304 HydrophobicContact CB-CG2 3.59Å; C296-V304 HydrophobicContact CB-CG1 4.34Å; P298-V304 HydrophobicContact CB-CG2 4.47Å; V304-Y306 HydrophobicContact CB-CE2 3.71Å; V304-Y306 WeakPolarHBondContact CB-OH 3.47Å; V304-Y306 HydrophobicContact CG1-CD1 4.34Å; V304-Y306 HydrophobicContact CG1-CD2 4.32Å; V304-Y306 HydrophobicContact CG1-CE1 3.72Å; V304-Y306 HydrophobicContact CG1-CE2 3.69Å; V304-Y306 WeakPolarHBondContact CG1-OH 3.3Å; V304-Y306 WeakPolarHBondContact O-CD2 3.48Å; V304-Y306 WeakPolarHBondContact O-CE2 3.44Å |
| 305 | V | 96.5 | Very high | 88.2 | Confident | 69 Ų | 69 | 87.1 Ų | 87.1 | 42% | 0.418 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.8 | 170.6 | 171.8 | 0 | 0 | 0 | 0 | 108.8 | C296 S297 Q299 | C296-V305 WeakPolarHBondContact CA-O 3.28Å; S297-V305 PolarHBondContact N-O 2.97Å; S297-V305 PolarHBondContact O-N 3.5Å; Q299-V305 HydrophobicContact CG-CB 4.36Å; Q299-V305 HydrophobicContact CG-CG2 3.48Å; Q299-V305 VanDerWaalsContact CG-CG2 3.48Å |
| 306 | Y | 96.9 | Very high | 87.8 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 23% | 0.227 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | 179 | -61.3 | -83.8 | 0 | 0 | 0 | 109.8 | I228 D231 L232 L295 C296 V304 | I228-Y306 HydrophobicContact CG2-CE1 4.48Å; D231-Y306 WeakPolarHBondContact OD2-CE2 3.06Å; D231-Y306 PolarHBondContact OD2-OH 2.81Å; L232-Y306 HydrophobicContact CD1-CE1 4.24Å; L232-Y306 HydrophobicContact CD2-CE1 3.71Å; L232-Y306 HydrophobicContact CG-CE1 3.99Å; L232-Y306 WeakPolarHBondContact CG-OH 3.35Å; L295-Y306 WeakPolarHBondContact O-CA 3.37Å; C296-Y306 HydrophobicContact CB-CD1 4.07Å; C296-Y306 HydrophobicContact CB-CE1 3.97Å; C296-Y306 WeakPolarHBondContact SG-CD1 3.42Å; V304-Y306 HydrophobicContact CB-CE2 3.71Å; V304-Y306 WeakPolarHBondContact CB-OH 3.47Å; V304-Y306 HydrophobicContact CG1-CD1 4.34Å; V304-Y306 HydrophobicContact CG1-CD2 4.32Å; V304-Y306 HydrophobicContact CG1-CE1 3.72Å; V304-Y306 HydrophobicContact CG1-CE2 3.69Å; V304-Y306 WeakPolarHBondContact CG1-OH 3.3Å; V304-Y306 WeakPolarHBondContact O-CD2 3.48Å; V304-Y306 WeakPolarHBondContact O-CE2 3.44Å |
| 307 | T | 94.9 | Very high | 87.3 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.3 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 109 | L295 | L295-T307 PolarHBondContact N-O 2.75Å; L295-T307 PolarHBondContact O-N 3.13Å |
| 308 | S | 94.1 | Very high | 86.8 | Confident | 73 Ų | 73 | 99.4 Ų | 99.4 | 51% | 0.51 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.9 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | L293 | L293-S308 CarbonylContact O-C 3.55Å; L293-S308 WeakPolarHBondContact O-CA 3.32Å |
| 309 | L | 89.9 | Confident | 86.3 | Confident | 51 Ų | 51 | 103.4 Ų | 103.4 | 27% | 0.267 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.2 | 174.3 | -65.6 | 164.7 | 0 | 0 | 0 | 110 | L279 L293 L295 | L279-L309 HydrophobicContact CD1-CD1 3.29Å; L279-L309 HydrophobicContact CD1-CD2 4.3Å; L279-L309 HydrophobicContact CD1-CG 4.43Å; L279-L309 HydrophobicContact CG-CD1 4.47Å; L293-L309 HydrophobicContact CB-CB 4.25Å; L293-L309 HydrophobicContact CD2-CB 4.19Å; L293-L309 HydrophobicContact CD2-CD1 3.54Å; L293-L309 HydrophobicContact CD2-CG 4.5Å; L293-L309 HydrophobicContact CG-CD1 4.23Å; L293-L309 PolarHBondContact O-N 2.97Å; L295-L309 HydrophobicContact CD1-CD1 3.67Å; L295-L309 HydrophobicContact CD1-CG 4.34Å; L295-L309 HydrophobicContact CD2-CD1 3.9Å; L295-L309 HydrophobicContact CG-CD1 3.61Å; L295-L309 HydrophobicContact CG-CG 4.33Å |
| 310 | Q | 83.9 | Confident | 85.8 | Confident | 160 Ų | 160 | 105.7 Ų | 105.7 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | trans | -126.5 | 131.3 | 175.4 | -67.5 | -174 | -19.6 | 0 | 0 | 109 | A312 | Q310-A312 PolarHBondContact O-N 2.93Š| ||
| 311 | W | 85.4 | Confident | 85.6 | Confident | 154 Ų | 154 | 103.9 Ų | 103.9 | 58% | 0.583 | 57% | 0.568 | S | S | * | * | trans | -78.6 | 109.6 | 174.3 | -168.7 | -79.9 | 0 | 0 | 0 | 109 | V280 T287 | V280-W311 HydrophobicContact CG1-CH2 4.24Å; V280-W311 HydrophobicContact CG1-CZ3 4.25Å; T287-W311 VanDerWaalsContact OG1-CB 3.3Å; T287-W311 WeakPolarHBondContact OG1-CB 3.47Å | ||
| 312 | A | 82.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 128.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q310 | Q310-A312 PolarHBondContact O-N 2.93Š|
| 313 | S | 75.8 | Confident | 85.4 | Confident | 91 Ų | 91 | 107.4 Ų | 107.4 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.7 | 159.2 | 51.8 | 0 | 0 | 0 | 0 | 108.2 | Q315 | S313-Q315 PolarHBondContact O-N 3.15Å; S313-Q315 VanDerWaalsContact O-N 3.15Å |
| 314 | L | 73.1 | Confident | 84.8 | Confident | 181 Ų | 181 | 105.1 Ų | 105.1 | 95% | 0.948 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.1 | 163.5 | -77 | 152.5 | 0 | 0 | 0 | 107.2 | ||
| 315 | Q | 47.7 | Very low | 83.7 | Confident | 257 Ų | 257 | 113.7 Ų | 113.7 | 100% | 1.201 | 61% | 0.608 | S | S | * | * | trans | -79.3 | 0 | 170.6 | -71 | -168.4 | -42.2 | 0 | 0 | 110.2 | S313 | S313-Q315 PolarHBondContact O-N 3.15Å; S313-Q315 VanDerWaalsContact O-N 3.15Å |
Retrieved 315 of 315 residues in 51.3 ms
(Link to these results)