| 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 | 57.2 | Low | 83.9 | Confident | 194 Ų | 194 | 40.8 Ų | 40.8 | 96% | 0.956 | 22% | 0.215 | S | C | * | . | 0 | 80.8 | 0 | -66.9 | -162.4 | -131.8 | 0 | 0 | 109.6 | E98 | M1-E98 WeakPolarHBondContact CA-OE1 3.13Å; M1-E98 PolarHBondContact N-OE1 3.36Å | |||
| 2 | S | 77.7 | Confident | 84.8 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | trans | -81.7 | 112.2 | 167.5 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | G97 | S2-G97 WeakPolarHBondContact O-CA 3.44Å; S2-G97 PolarHBondContact O-N 3.37Å | ||
| 3 | E | 82.2 | Confident | 85.2 | Confident | 88 Ų | 88 | 35.5 Ų | 35.5 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 141.7 | 169.7 | -67.9 | -177.5 | 156.9 | 0 | 0 | 109.7 | L94 L95 P178 R184 | E3-L94 HydrophobicContact CB-CD1 4.01Å; E3-L95 WeakPolarHBondContact CA-O 3.47Å; E3-P178 HydrophobicContact CB-CG 3.82Å; E3-P178 VanDerWaalsContact O-CD 3.29Å; E3-P178 WeakPolarHBondContact O-CD 3.45Å; E3-P178 WeakPolarHBondContact O-CG 3.32Å; E3-R184 IonicContact OE1-NH2 2.91Å; E3-R184 PolarHBondContact OE1-NH2 3.15Å |
| 4 | V | 83.8 | Confident | 85.7 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.1 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | L95 L175 | V4-L95 PolarHBondContact N-O 2.92Å; V4-L95 PolarHBondContact O-N 3.07Å; V4-L175 HydrophobicContact CG1-CB 4.29Å; V4-L175 HydrophobicContact CG1-CD2 3.85Å |
| 5 | Q | 84.8 | Confident | 86 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.4 | 171.6 | -179.4 | 174.5 | -29.1 | 0 | 0 | 110.2 | L93 L175 H176 I180 F182 | Q5-L93 CarbonylContact C-O 3.46Å; Q5-L93 VanDerWaalsContact CA-O 3.31Å; Q5-L93 WeakPolarHBondContact CA-O 3.12Å; Q5-L175 WeakPolarHBondContact O-CA 3.44Å; Q5-H176 PolarHBondContact N-O 3.26Å; Q5-H176 PolarHBondContact NE2-CE1 3.49Å; Q5-H176 PolarHBondContact NE2-NE2 2.83Å; Q5-H176 VanDerWaalsContact NE2-NE2 3.15Å; Q5-H176 PolarHBondContact O-N 2.81Å; Q5-H176 PolarHBondContact OE1-CE1 2.92Å; Q5-H176 VanDerWaalsContact OE1-CE1 3.25Å; Q5-I180 VanDerWaalsContact OE1-N 3.14Å; Q5-F182 HydrophobicContact CG-CE2 4.36Å; Q5-F182 HydrophobicContact CG-CZ 4.04Å |
| 6 | G | 85.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H92 L93 | G6-H92 CarbonylContact O-C 3.53Å; G6-H92 WeakPolarHBondContact O-CA 3.17Å; G6-L93 PolarHBondContact N-O 3.37Å; G6-L93 PolarHBondContact O-N 3.11Å |
| 7 | T | 85.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117 | 172.3 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | K90 V91 H92 V173 A174 | T7-K90 HydrophobicContact CG2-CD 4.21Å; T7-K90 HydrophobicContact CG2-CG 3.8Å; T7-V91 CarbonylContact C-O 3.47Å; T7-V91 WeakPolarHBondContact CA-O 3.38Å; T7-H92 PolarHBondContact OG1-ND1 3.4Å; T7-V173 HydrophobicContact CG2-CG2 3.76Å; T7-V173 VanDerWaalsContact O-CG2 3.27Å; T7-V173 WeakPolarHBondContact O-CG2 3.21Å; T7-V173 PolarHBondContact O-N 2.77Å; T7-A174 PolarHBondContact N-O 2.9Å; T7-A174 PolarHBondContact O-N 3.21Å |
| 8 | L | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 144.2 | 172.3 | -60.8 | 177.6 | 0 | 0 | 0 | 110 | F10 K90 V91 L93 L104 F109 F142 S171 L172 | L8-F10 HydrophobicContact CB-CD2 4.4Å; L8-F10 HydrophobicContact CB-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CE2 4.1Å; L8-F10 HydrophobicContact CD1-CZ 4.35Å; L8-K90 CarbonylContact O-C 3.48Å; L8-K90 WeakPolarHBondContact O-CA 3.38Å; L8-V91 HydrophobicContact CB-CB 4.35Å; L8-V91 PolarHBondContact N-O 2.81Å; L8-V91 PolarHBondContact O-N 3.39Å; L8-L93 HydrophobicContact CD1-CD1 3.66Å; L8-L93 HydrophobicContact CG-CD1 4.11Å; L8-L104 HydrophobicContact CD1-CD2 4.37Å; L8-F109 HydrophobicContact CD1-CE1 3.8Å; L8-F109 HydrophobicContact CD1-CE2 3.92Å; L8-F109 HydrophobicContact CD1-CZ 3.21Å; L8-F142 HydrophobicContact CD1-CD1 4.32Å; L8-F142 HydrophobicContact CD1-CE1 4.28Å; L8-F142 HydrophobicContact CD2-CD1 4.36Å; L8-F142 HydrophobicContact CD2-CE1 3.55Å; L8-F142 HydrophobicContact CD2-CE2 3.9Å; L8-F142 HydrophobicContact CD2-CZ 3.3Å; L8-S171 VanDerWaalsContact CA-O 3.3Å; L8-S171 WeakPolarHBondContact CA-O 3.36Å; L8-L172 HydrophobicContact CD2-CB 3.71Å; L8-L172 HydrophobicContact CD2-CD1 3.7Å; L8-L172 HydrophobicContact CD2-CG 4.31Å; L8-L172 HydrophobicContact CG-CD1 4.48Å |
| 9 | E | 90.8 | Very high | 87.9 | Confident | 58 Ų | 58 | 35.2 Ų | 35.2 | 27% | 0.271 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.9 | 171.6 | -168.2 | 173.7 | 115.1 | 0 | 0 | 109 | I88 A170 S171 V173 | E9-I88 HydrophobicContact CG-CG2 3.76Å; E9-A170 CarbonylContact O-C 3.56Å; E9-A170 WeakPolarHBondContact O-CA 3.39Å; E9-S171 PolarHBondContact N-O 2.92Å; E9-S171 PolarHBondContact O-N 2.8Å; E9-V173 HydrophobicContact CB-CG1 3.9Å; E9-V173 HydrophobicContact CB-CG2 4.21Å |
| 10 | F | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.2 | 174.5 | -65.3 | -107.7 | 0 | 0 | 0 | 108.6 | L8 L34 I88 F89 V91 F109 L140 L148 V168 H169 A170 | L8-F10 HydrophobicContact CB-CD2 4.4Å; L8-F10 HydrophobicContact CB-CE2 3.85Å; L8-F10 HydrophobicContact CD1-CE2 4.1Å; L8-F10 HydrophobicContact CD1-CZ 4.35Å; F10-L34 HydrophobicContact CB-CD2 4.38Å; F10-L34 HydrophobicContact CD1-CD1 4.47Å; F10-L34 HydrophobicContact CD1-CD2 4.47Å; F10-L34 HydrophobicContact CD2-CD2 3.61Å; F10-L34 HydrophobicContact CE2-CD2 3.96Å; F10-L34 HydrophobicContact CG-CD2 3.92Å; F10-I88 CarbonylContact O-C 3.6Å; F10-I88 WeakPolarHBondContact O-CA 3.31Å; F10-F89 HydrophobicContact CB-CB 4.2Å; F10-F89 PolarHBondContact N-O 3.29Å; F10-F89 PolarHBondContact O-N 3.23Å; F10-V91 HydrophobicContact CD2-CG2 4.16Å; F10-V91 HydrophobicContact CE2-CG2 3.99Å; F10-F109 HydrophobicContact CE1-CB 4.4Å; F10-F109 HydrophobicContact CE1-CD1 4.48Å; F10-F109 HydrophobicContact CE1-CG 4.33Å; F10-F109 AromaticContact CE2-CD1 3.99Å; F10-F109 HydrophobicContact CE2-CD1 3.99Å; F10-F109 HydrophobicContact CE2-CE1 4.03Å; F10-F109 HydrophobicContact CZ-CB 4.24Å; F10-F109 AromaticContact CZ-CD1 3.57Å; F10-F109 HydrophobicContact CZ-CD1 3.57Å; F10-F109 HydrophobicContact CZ-CD2 4.11Å; F10-F109 AromaticContact CZ-CE1 3.9Å; F10-F109 HydrophobicContact CZ-CE1 3.9Å; F10-F109 HydrophobicContact CZ-CE2 4.38Å; F10-F109 AromaticContact CZ-CG 3.7Å; F10-F109 HydrophobicContact CZ-CG 3.7Å; F10-F109 HydrophobicContact CZ-CZ 4.29Å; F10-L140 HydrophobicContact CD1-CD1 3.78Å; F10-L140 HydrophobicContact CE1-CD1 3.75Å; F10-L148 HydrophobicContact CE1-CD2 4.34Å; F10-V168 HydrophobicContact CD1-CG1 4.46Å; F10-H169 CarbonylContact C-O 3.54Å; F10-H169 VanDerWaalsContact CA-O 3.28Å; F10-H169 WeakPolarHBondContact CA-O 3.28Å; F10-A170 HydrophobicContact CB-CB 4.29Å; F10-A170 HydrophobicContact CD1-CB 3.28Å; F10-A170 HydrophobicContact CD2-CB 4.24Å; F10-A170 HydrophobicContact CE1-CB 3.48Å; F10-A170 VanDerWaalsContact CE1-CB 3.48Å; F10-A170 HydrophobicContact CE2-CB 4.4Å; F10-A170 HydrophobicContact CG-CB 3.68Å; F10-A170 HydrophobicContact CZ-CB 4.05Å |
| 11 | S | 91.9 | Very high | 88 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.5 | 169.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | C86 I88 V168 H169 | S11-C86 PolarHBondContact OG-SG 3.25Å; S11-I88 WeakPolarHBondContact OG-CD1 3.39Å; S11-V168 WeakPolarHBondContact O-CA 3.37Å; S11-H169 PolarHBondContact N-O 2.81Å; S11-H169 PolarHBondContact O-N 2.83Å |
| 12 | V | 94 | Very high | 89.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.1 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | M87 F89 L111 V166 S167 V168 | V12-M87 HydrophobicContact CB-CB 4.32Å; V12-M87 PolarHBondContact N-O 3.34Å; V12-M87 PolarHBondContact O-N 3.17Å; V12-F89 HydrophobicContact CB-CE2 4.19Å; V12-F89 HydrophobicContact CG2-CD2 3.98Å; V12-F89 HydrophobicContact CG2-CE2 3.86Å; V12-L111 HydrophobicContact CG1-CD1 4.46Å; V12-L111 HydrophobicContact CG1-CD2 3.76Å; V12-L111 HydrophobicContact CG2-CD1 4.13Å; V12-L111 HydrophobicContact CG2-CD2 3.98Å; V12-V166 HydrophobicContact CG1-CG1 3.99Å; V12-S167 WeakPolarHBondContact CA-O 3.27Å; V12-V168 HydrophobicContact CG2-CG1 4.32Å; V12-V168 HydrophobicContact CG2-CG2 4.39Å |
| 13 | E | 90.9 | Very high | 89.7 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.1 | -176.6 | -52.9 | -178.2 | 162.5 | 0 | 0 | 110 | H15 D85 V166 S167 R252 | E13-H15 PolarHBondContact O-CD2 2.82Å; E13-H15 IonicContact OE2-CE1 2.69Å; E13-H15 PolarHBondContact OE2-CE1 3.39Å; E13-H15 IonicContact OE2-NE2 3.39Å; E13-H15 PolarHBondContact OE2-NE2 3.33Å; E13-D85 CarbonylContact C-O 3.49Å; E13-D85 WeakPolarHBondContact CA-O 3.39Å; E13-V166 CarbonylContact O-C 3.57Å; E13-V166 VanDerWaalsContact O-CA 3.31Å; E13-V166 WeakPolarHBondContact O-CA 3.38Å; E13-S167 PolarHBondContact N-O 2.99Å; E13-S167 PolarHBondContact O-N 3.47Å; E13-R252 VanDerWaalsContact CD-CZ 3.5Å; E13-R252 IonicContact OE1-CZ 3.37Å; E13-R252 IonicContact OE1-NH1 3.4Å; E13-R252 PolarHBondContact OE1-NH1 3.21Å; E13-R252 IonicContact OE1-NH2 2.67Å; E13-R252 PolarHBondContact OE1-NH2 3.09Å; E13-R252 IonicContact OE2-CZ 2.91Å; E13-R252 IonicContact OE2-NH1 3.37Å; E13-R252 PolarHBondContact OE2-NH1 2.87Å; E13-R252 IonicContact OE2-NH2 3.14Å; E13-R252 PolarHBondContact OE2-NH2 3.36Å |
| 14 | L | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.5 | 172.4 | -56.6 | -174.1 | 0 | 0 | 0 | 108.3 | I30 V83 N84 D85 M87 L113 I164 V166 | L14-I30 HydrophobicContact CD1-CB 4.01Å; L14-I30 HydrophobicContact CD1-CD1 4.39Å; L14-I30 HydrophobicContact CD1-CG2 3.88Å; L14-V83 HydrophobicContact CB-CB 4.28Å; L14-V83 HydrophobicContact CB-CG1 3.97Å; L14-V83 HydrophobicContact CD1-CG1 4.32Å; L14-N84 CarbonylContact O-C 3.54Å; L14-N84 WeakPolarHBondContact O-CA 3.24Å; L14-N84 PolarHBondContact O-N 3.28Å; L14-D85 HydrophobicContact CB-CB 4.48Å; L14-D85 PolarHBondContact N-O 2.9Å; L14-D85 PolarHBondContact O-N 2.99Å; L14-D85 VanDerWaalsContact O-N 3.12Å; L14-M87 HydrophobicContact CD1-CE 3.48Å; L14-M87 VanDerWaalsContact CD1-CE 3.48Å; L14-M87 HydrophobicContact CD1-SD 4.38Å; L14-M87 HydrophobicContact CG-CE 4.18Å; L14-L113 HydrophobicContact CD2-CD2 4.47Å; L14-I164 HydrophobicContact CB-CD1 4.34Å; L14-I164 HydrophobicContact CD2-CG1 4.18Å; L14-V166 HydrophobicContact CD2-CG1 4.4Å; L14-V166 HydrophobicContact CD2-CG2 3.9Å |
| 15 | H | 90.3 | Very high | 90.4 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.218 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -105 | -178.5 | -62 | -90.3 | 0 | 0 | 0 | 109.8 | E13 V83 N84 S165 S167 | E13-H15 PolarHBondContact O-CD2 2.82Å; E13-H15 IonicContact OE2-CE1 2.69Å; E13-H15 PolarHBondContact OE2-CE1 3.39Å; E13-H15 IonicContact OE2-NE2 3.39Å; E13-H15 PolarHBondContact OE2-NE2 3.33Å; H15-V83 WeakPolarHBondContact O-CA 2.97Å; H15-V83 VanDerWaalsContact O-CB 3.31Å; H15-V83 WeakPolarHBondContact O-CB 3.21Å; H15-V83 PolarHBondContact O-N 2.63Å; H15-N84 PolarHBondContact O-N 2.71Å; H15-S165 PolarHBondContact N-O 3.22Å; H15-S167 PolarHBondContact NE2-OG 2.85Å |
| 16 | K | 93.5 | Very high | 90.9 | Very high | 100 Ų | 100 | 39 Ų | 39 | 44% | 0.435 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.6 | -175.6 | -65.6 | 172.2 | 165.3 | -152.2 | 0 | 111.5 | E80 I81 I164 S165 | K16-E80 HydrophobicContact CB-CG 4.23Å; K16-E80 HydrophobicContact CD-CG 4.34Å; K16-E80 WeakPolarHBondContact CD-OE1 3.5Å; K16-E80 VanDerWaalsContact CE-OE1 3.31Å; K16-E80 WeakPolarHBondContact CE-OE1 3.35Å; K16-E80 IonicContact NZ-OE1 2.64Å; K16-E80 PolarHBondContact NZ-OE1 2.89Å; K16-E80 IonicContact NZ-OE2 2.71Å; K16-I81 CarbonylContact C-O 3.46Å; K16-I81 WeakPolarHBondContact CA-O 3.48Å; K16-I164 WeakPolarHBondContact O-CD1 3.21Å; K16-S165 PolarHBondContact O-N 2.8Å |
| 17 | F | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128 | 166.8 | -169.8 | -87.3 | 0 | 0 | 0 | 109.3 | N19 L22 I30 F72 I74 E80 I81 V83 L115 F156 S162 V163 I164 | F17-N19 HydrophobicContact CE1-CB 4.43Å; F17-L22 HydrophobicContact CE1-CD1 3.86Å; F17-L22 HydrophobicContact CZ-CD1 4.06Å; F17-I30 HydrophobicContact CD2-CD1 3.97Å; F17-I30 HydrophobicContact CE2-CD1 4.35Å; F17-F72 HydrophobicContact CB-CE2 4.08Å; F17-F72 HydrophobicContact CB-CZ 4.32Å; F17-F72 AromaticContact CD1-CE2 3.73Å; F17-F72 HydrophobicContact CD1-CE2 3.73Å; F17-F72 HydrophobicContact CD1-CZ 4.38Å; F17-F72 AromaticContact CD2-CE2 3.97Å; F17-F72 HydrophobicContact CD2-CE2 3.97Å; F17-F72 AromaticContact CD2-CZ 3.78Å; F17-F72 HydrophobicContact CD2-CZ 3.78Å; F17-F72 HydrophobicContact CE1-CE2 4.11Å; F17-F72 HydrophobicContact CE2-CE2 4.31Å; F17-F72 HydrophobicContact CE2-CZ 4.12Å; F17-F72 AromaticContact CG-CE2 3.64Å; F17-F72 HydrophobicContact CG-CE2 3.64Å; F17-F72 AromaticContact CG-CZ 3.9Å; F17-F72 HydrophobicContact CG-CZ 3.9Å; F17-F72 HydrophobicContact CZ-CE2 4.36Å; F17-I74 HydrophobicContact CD1-CD1 3.84Å; F17-I74 HydrophobicContact CE1-CD1 3.39Å; F17-I74 HydrophobicContact CZ-CD1 4.25Å; F17-E80 CarbonylContact O-C 3.55Å; F17-E80 WeakPolarHBondContact O-CA 3.24Å; F17-I81 HydrophobicContact CD1-CD1 4.27Å; F17-I81 PolarHBondContact N-O 2.75Å; F17-I81 PolarHBondContact O-N 3.29Å; F17-V83 HydrophobicContact CB-CG2 3.92Å; F17-L115 HydrophobicContact CE2-CD1 3.93Å; F17-L115 HydrophobicContact CZ-CD1 4.18Å; F17-L115 HydrophobicContact CZ-CD2 4.43Å; F17-F156 HydrophobicContact CE2-CD2 4.15Å; F17-F156 AromaticContact CE2-CE2 3.99Å; F17-F156 HydrophobicContact CE2-CE2 3.99Å; F17-S162 WeakPolarHBondContact CZ-OG 3.41Å; F17-V163 CarbonylContact C-O 3.57Å; F17-V163 WeakPolarHBondContact CA-O 3.39Å; F17-I164 HydrophobicContact CB-CD1 4.1Å; F17-I164 HydrophobicContact CD2-CB 4.09Å; F17-I164 HydrophobicContact CD2-CD1 4.32Å |
| 18 | H | 95.3 | Very high | 91.7 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.2 | 178.8 | -175.1 | 67.6 | 0 | 0 | 0 | 109.5 | V20 N78 S162 V163 | H18-V20 PolarHBondContact O-N 2.87Å; H18-N78 PolarHBondContact CE1-OD1 3.23Å; H18-N78 PolarHBondContact NE2-OD1 2.99Å; H18-S162 CarbonylContact O-C 3.55Å; H18-S162 VanDerWaalsContact O-CA 3.24Å; H18-S162 WeakPolarHBondContact O-CA 3.22Å; H18-S162 WeakPolarHBondContact O-CB 3.44Å; H18-V163 PolarHBondContact N-O 2.96Å; H18-V163 PolarHBondContact O-N 3.44Å |
| 19 | N | 93.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 106.2 | 174.1 | 176.9 | 21.1 | 0 | 0 | 0 | 110 | F17 D21 L22 I74 Y76 N78 E79 | F17-N19 HydrophobicContact CE1-CB 4.43Å; N19-D21 PolarHBondContact OD1-N 2.96Å; N19-L22 HydrophobicContact CB-CD1 4.25Å; N19-L22 WeakPolarHBondContact OD1-CB 3.38Å; N19-L22 WeakPolarHBondContact OD1-CD1 3.25Å; N19-L22 WeakPolarHBondContact OD1-CG 3.35Å; N19-L22 PolarHBondContact OD1-N 2.95Å; N19-I74 HydrophobicContact CB-CD1 4.33Å; N19-I74 HydrophobicContact CB-CG2 3.96Å; N19-I74 WeakPolarHBondContact ND2-CG2 3.07Å; N19-Y76 PolarHBondContact ND2-O 2.67Å; N19-N78 CarbonylContact O-C 3.16Å; N19-N78 WeakPolarHBondContact O-CA 3.33Å; N19-N78 PolarHBondContact O-N 3.1Å; N19-E79 HydrophobicContact CB-CB 4.38Å; N19-E79 PolarHBondContact N-O 3.42Å; N19-E79 PolarHBondContact O-N 3.32Å |
| 20 | V | 89.6 | Confident | 92.2 | Very high | 43 Ų | 43 | 37.3 Ų | 37.3 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -46.2 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | H18 R77 L161 | H18-V20 PolarHBondContact O-N 2.87Å; V20-R77 WeakPolarHBondContact O-CG 3.48Å; V20-R77 PolarHBondContact O-NE 2.69Å; V20-R77 VanDerWaalsContact O-NE 3.09Å; V20-L161 WeakPolarHBondContact CA-O 3.39Å; V20-L161 HydrophobicContact CB-CB 4.37Å; V20-L161 HydrophobicContact CB-CD2 3.92Å; V20-L161 HydrophobicContact CB-CG 3.93Å; V20-L161 VanDerWaalsContact CB-O 3.25Å; V20-L161 WeakPolarHBondContact CB-O 3.27Å; V20-L161 HydrophobicContact CG1-CD2 3.55Å; V20-L161 HydrophobicContact CG1-CG 4.1Å; V20-L161 PolarHBondContact N-O 2.85Å |
| 21 | D | 88.4 | Confident | 92.2 | Very high | 40 Ų | 40 | 38.7 Ų | 38.7 | 21% | 0.214 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 52.5 | -179.5 | -154.3 | 14.9 | 0 | 0 | 0 | 113.4 | N19 F23 R77 L161 | N19-D21 PolarHBondContact OD1-N 2.96Å; D21-F23 PolarHBondContact O-N 3.29Å; D21-R77 WeakPolarHBondContact OD1-CD 3.36Å; D21-R77 IonicContact OD1-CZ 3.08Å; D21-R77 IonicContact OD1-NE 3.98Å; D21-R77 PolarHBondContact OD1-NE 3.39Å; D21-R77 IonicContact OD1-NH1 2.94Å; D21-R77 PolarHBondContact OD1-NH1 2.74Å; D21-R77 IonicContact OD1-NH2 2.87Å; D21-R77 IonicContact OD2-CZ 3.81Å; D21-R77 IonicContact OD2-NE 3.63Å; D21-R77 IonicContact OD2-NH1 3.34Å; D21-R77 PolarHBondContact OD2-NH1 3.32Å; D21-R77 IonicContact OD2-NH2 3.08Å; D21-R77 PolarHBondContact OD2-NH2 3.28Å; D21-L161 HydrophobicContact CB-CB 4.09Å; D21-L161 HydrophobicContact CB-CD2 4.01Å; D21-L161 PolarHBondContact N-O 3.32Å |
| 22 | L | 88.3 | Confident | 92.4 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | trans | -66.9 | 125.7 | 168.7 | -70.3 | 165.7 | 0 | 0 | 0 | 109.7 | F17 N19 Q24 Y28 I74 H160 | F17-L22 HydrophobicContact CE1-CD1 3.86Å; F17-L22 HydrophobicContact CZ-CD1 4.06Å; N19-L22 HydrophobicContact CB-CD1 4.25Å; N19-L22 WeakPolarHBondContact OD1-CB 3.38Å; N19-L22 WeakPolarHBondContact OD1-CD1 3.25Å; N19-L22 WeakPolarHBondContact OD1-CG 3.35Å; N19-L22 PolarHBondContact OD1-N 2.95Å; L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.4Å; L22-Y28 HydrophobicContact CD1-CD1 4.46Å; L22-Y28 HydrophobicContact CD1-CE1 3.86Å; L22-Y28 HydrophobicContact CD1-CE2 4.3Å; L22-Y28 HydrophobicContact CD2-CE1 4.17Å; L22-I74 HydrophobicContact CD1-CD1 3.47Å; L22-I74 VanDerWaalsContact CD1-CD1 3.47Å; L22-H160 HydrophobicContact CD2-CB 3.91Å | ||
| 23 | F | 82.6 | Confident | 92.5 | Very high | 151 Ų | 151 | 38.8 Ų | 38.8 | 66% | 0.662 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -71.1 | -23.5 | -177.8 | -64.3 | -73.7 | 0 | 0 | 0 | 113.9 | D21 F159 | D21-F23 PolarHBondContact O-N 3.29Å; F23-F159 VanDerWaalsContact CD2-O 3.32Å; F23-F159 WeakPolarHBondContact CD2-O 3.45Å; F23-F159 WeakPolarHBondContact CE2-O 3.43Å |
| 24 | Q | 89.2 | Confident | 92.8 | Very high | 99 Ų | 99 | 38.5 Ų | 38.5 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | trans | -111.7 | 140.4 | -172.4 | -61.7 | 175.9 | 8.9 | 0 | 0 | 109.7 | L22 Y28 F117 | L22-Q24 VanDerWaalsContact C-N 3.29Å; L22-Q24 PolarHBondContact O-N 3.4Å; Q24-Y28 PolarHBondContact O-OH 2.97Å; Q24-F117 HydrophobicContact CB-CE1 3.96Å; Q24-F117 HydrophobicContact CB-CE2 3.97Å; Q24-F117 HydrophobicContact CB-CZ 3.53Å; Q24-F117 HydrophobicContact CG-CE1 4.48Å; Q24-F117 HydrophobicContact CG-CZ 4.48Å | ||
| 25 | R | 92.6 | Very high | 92.9 | Very high | 174 Ų | 174 | 43.8 Ų | 43.8 | 66% | 0.657 | 20% | 0.199 | S | C | * | . | trans | -99.4 | 142.2 | 172.3 | -64.7 | 177.1 | 179 | 178.3 | -3.6 | 107.8 | I74 L75 | R25-I74 WeakPolarHBondContact CA-O 3.3Å; R25-L75 WeakPolarHBondContact CD-O 3.37Å; R25-L75 WeakPolarHBondContact CG-O 3.35Å; R25-L75 PolarHBondContact NE-O 3.16Å | ||
| 26 | G | 93.9 | Very high | 93.1 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -151.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q73 I74 | G26-Q73 WeakPolarHBondContact O-CA 2.94Å; G26-Q73 WeakPolarHBondContact O-CG 3.44Å; G26-I74 PolarHBondContact N-O 2.84Å; G26-I74 VanDerWaalsContact N-O 3.1Å; G26-I74 PolarHBondContact O-N 3.45Å |
| 27 | F | 94.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.5 | -171.6 | -57.2 | -84.1 | 0 | 0 | 0 | 110.6 | F57 I71 Q73 F117 T118 E121 L124 | F27-F57 HydrophobicContact CD1-CE1 4.37Å; F27-F57 HydrophobicContact CE1-CE1 4.19Å; F27-I71 HydrophobicContact CB-CG2 3.9Å; F27-I71 HydrophobicContact CD1-CG2 4.07Å; F27-I71 HydrophobicContact CG-CG2 4.41Å; F27-Q73 HydrophobicContact CD1-CB 4.07Å; F27-Q73 HydrophobicContact CD1-CG 4.13Å; F27-Q73 HydrophobicContact CE1-CB 4.11Å; F27-Q73 HydrophobicContact CE1-CG 3.98Å; F27-Q73 HydrophobicContact CZ-CG 4.49Å; F27-F117 WeakPolarHBondContact O-CA 3.43Å; F27-F117 WeakPolarHBondContact O-CD2 3.31Å; F27-T118 HydrophobicContact CB-CG2 4.26Å; F27-T118 PolarHBondContact N-O 3.48Å; F27-T118 PolarHBondContact O-N 2.86Å; F27-E121 HydrophobicContact CD2-CG 4.5Å; F27-E121 HydrophobicContact CE2-CG 3.44Å; F27-E121 VanDerWaalsContact CE2-CG 3.44Å; F27-E121 HydrophobicContact CZ-CG 3.65Å; F27-L124 HydrophobicContact CB-CD1 4.06Å; F27-L124 HydrophobicContact CB-CD2 3.99Å; F27-L124 HydrophobicContact CD1-CD1 3.79Å; F27-L124 HydrophobicContact CD2-CD1 3.66Å; F27-L124 HydrophobicContact CE1-CD1 4.1Å; F27-L124 HydrophobicContact CE2-CD1 3.99Å; F27-L124 HydrophobicContact CG-CD1 3.55Å; F27-L124 HydrophobicContact CG-CD2 4.38Å; F27-L124 HydrophobicContact CZ-CD1 4.18Å |
| 28 | Y | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.2 | -178.4 | -70.1 | -93.9 | 0 | 0 | 0 | 110.3 | L22 Q24 F72 I74 L115 H116 F117 I133 | L22-Y28 HydrophobicContact CD1-CD1 4.46Å; L22-Y28 HydrophobicContact CD1-CE1 3.86Å; L22-Y28 HydrophobicContact CD1-CE2 4.3Å; L22-Y28 HydrophobicContact CD2-CE1 4.17Å; Q24-Y28 PolarHBondContact O-OH 2.97Å; Y28-F72 HydrophobicContact CG-CE2 4.47Å; Y28-F72 PolarHBondContact N-O 3.1Å; Y28-F72 WeakPolarHBondContact O-CD1 3.44Å; Y28-F72 PolarHBondContact O-N 2.99Å; Y28-I74 HydrophobicContact CD1-CD1 4.5Å; Y28-I74 HydrophobicContact CD2-CB 3.89Å; Y28-I74 HydrophobicContact CD2-CD1 3.48Å; Y28-I74 VanDerWaalsContact CD2-CD1 3.48Å; Y28-I74 HydrophobicContact CD2-CG1 3.6Å; Y28-I74 HydrophobicContact CE2-CB 3.81Å; Y28-I74 HydrophobicContact CE2-CD1 3.77Å; Y28-I74 HydrophobicContact CE2-CG1 3.99Å; Y28-I74 HydrophobicContact CG-CD1 3.88Å; Y28-I74 HydrophobicContact CG-CG1 4.36Å; Y28-L115 HydrophobicContact CD1-CD1 4.01Å; Y28-L115 HydrophobicContact CD1-CD2 4.46Å; Y28-L115 HydrophobicContact CD1-CG 4.27Å; Y28-H116 WeakPolarHBondContact CA-O 3.1Å; Y28-F117 HydrophobicContact CD1-CB 4.1Å; Y28-F117 AromaticContact CD1-CD2 3.99Å; Y28-F117 HydrophobicContact CD1-CD2 3.99Å; Y28-F117 AromaticContact CD2-CD2 4Å; Y28-F117 HydrophobicContact CD2-CD2 4Å; Y28-F117 HydrophobicContact CD2-CE2 4.48Å; Y28-F117 HydrophobicContact CE1-CB 3.89Å; Y28-F117 AromaticContact CE1-CD2 3.49Å; Y28-F117 HydrophobicContact CE1-CD2 3.49Å; Y28-F117 VanDerWaalsContact CE1-CD2 3.49Å; Y28-F117 HydrophobicContact CE1-CE2 4.39Å; Y28-F117 HydrophobicContact CE1-CG 4.01Å; Y28-F117 AromaticContact CE2-CD2 3.5Å; Y28-F117 HydrophobicContact CE2-CD2 3.5Å; Y28-F117 VanDerWaalsContact CE2-CD2 3.5Å; Y28-F117 AromaticContact CE2-CE2 3.73Å; Y28-F117 HydrophobicContact CE2-CE2 3.73Å; Y28-F117 HydrophobicContact CG-CD2 4.23Å; Y28-F117 AromaticContact CZ-CD2 3.21Å; Y28-F117 AromaticContact CZ-CE2 3.68Å; Y28-F117 WeakPolarHBondContact OH-CD2 3.32Å; Y28-I133 HydrophobicContact CD1-CD1 4.26Å; Y28-I133 HydrophobicContact CE1-CD1 3.77Å |
| 29 | Q | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 142.8 | 174.9 | -179.2 | 178.2 | 63.9 | 0 | 0 | 109.6 | R31 F68 S69 H116 I127 | Q29-R31 HydrophobicContact CG-CG 4.47Å; Q29-F68 VanDerWaalsContact OE1-CD1 3.32Å; Q29-S69 PolarHBondContact NE2-O 3.43Å; Q29-H116 HydrophobicContact CB-CB 4.4Å; Q29-H116 PolarHBondContact N-O 3.2Å; Q29-H116 VanDerWaalsContact N-O 3.1Å; Q29-H116 PolarHBondContact O-N 3.41Å; Q29-I127 VanDerWaalsContact NE2-CG2 3.33Å; Q29-I127 VanDerWaalsContact OE1-CG2 3.23Å |
| 30 | I | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128 | 171.6 | -61.8 | 176.7 | 0 | 0 | 0 | 108.3 | L14 F17 S69 F72 L113 D114 L115 F156 I164 | L14-I30 HydrophobicContact CD1-CB 4.01Å; L14-I30 HydrophobicContact CD1-CD1 4.39Å; L14-I30 HydrophobicContact CD1-CG2 3.88Å; F17-I30 HydrophobicContact CD2-CD1 3.97Å; F17-I30 HydrophobicContact CE2-CD1 4.35Å; I30-S69 PolarHBondContact N-OG 3.38Å; I30-S69 WeakPolarHBondContact O-CB 3.27Å; I30-S69 PolarHBondContact O-N 3.29Å; I30-S69 PolarHBondContact O-OG 2.96Å; I30-F72 HydrophobicContact CD1-CZ 4.38Å; I30-F72 HydrophobicContact CG1-CE1 4.23Å; I30-F72 HydrophobicContact CG1-CZ 4.23Å; I30-L113 HydrophobicContact CG2-CD2 4.18Å; I30-D114 CarbonylContact C-O 3.56Å; I30-D114 VanDerWaalsContact CA-O 3.31Å; I30-D114 WeakPolarHBondContact CA-O 3.49Å; I30-L115 HydrophobicContact CG1-CD1 4.2Å; I30-F156 HydrophobicContact CD1-CE2 4.47Å; I30-I164 HydrophobicContact CD1-CB 3.82Å; I30-I164 HydrophobicContact CD1-CD1 3.82Å; I30-I164 HydrophobicContact CD1-CG1 3.57Å; I30-I164 HydrophobicContact CD1-CG2 4.14Å |
| 31 | R | 95 | Very high | 90.9 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 11% | 0.106 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.3 | 171.1 | -57.4 | -174.2 | -167.1 | 169.3 | 5.6 | 109.6 | Q29 V67 F68 L113 D114 H116 I127 V128 V130 | Q29-R31 HydrophobicContact CG-CG 4.47Å; R31-V67 CarbonylContact C-O 3.55Å; R31-V67 VanDerWaalsContact CA-O 3.28Å; R31-V67 WeakPolarHBondContact CA-O 3.31Å; R31-F68 VanDerWaalsContact CD-CE1 3.48Å; R31-F68 HydrophobicContact CG-CD1 3.99Å; R31-F68 HydrophobicContact CG-CE1 4.17Å; R31-F68 HydrophobicContact CG-CG 4.2Å; R31-F68 HydrophobicContact CG-CZ 4.48Å; R31-F68 VanDerWaalsContact CZ-CE1 3.43Å; R31-L113 WeakPolarHBondContact O-CA 3.25Å; R31-D114 HydrophobicContact CB-CB 4.2Å; R31-D114 PolarHBondContact N-O 2.81Å; R31-D114 PolarHBondContact O-N 2.96Å; R31-H116 WeakPolarHBondContact CD-NE2 3.5Å; R31-H116 PolarHBondContact NH1-CE1 3.17Å; R31-H116 VanDerWaalsContact NH1-CE1 3.34Å; R31-H116 PolarHBondContact NH2-ND1 3.12Å; R31-I127 PolarHBondContact NH2-O 2.85Å; R31-V128 PolarHBondContact NH1-O 3.21Å; R31-V128 VanDerWaalsContact NH1-O 3.08Å; R31-V128 PolarHBondContact NH2-O 3.07Å; R31-V130 PolarHBondContact NH2-O 3.32Å |
| 32 | A | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S66 V67 M87 F89 L111 K112 L113 | A32-S66 WeakPolarHBondContact O-CA 3.18Å; A32-V67 PolarHBondContact N-O 3.27Å; A32-V67 PolarHBondContact O-N 3.42Å; A32-M87 HydrophobicContact CB-CE 4.37Å; A32-M87 HydrophobicContact CB-SD 3.37Å; A32-M87 WeakPolarHBondContact CB-SD 3.45Å; A32-F89 HydrophobicContact CB-CZ 4.06Å; A32-L111 HydrophobicContact CB-CD1 4.27Å; A32-K112 CarbonylContact C-O 3.49Å; A32-K112 VanDerWaalsContact CA-O 3.27Å; A32-K112 WeakPolarHBondContact CA-O 2.97Å; A32-L113 HydrophobicContact CB-CD2 3.74Å |
| 33 | A | 95.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K112 | A33-K112 HydrophobicContact CB-CB 4.48Å; A33-K112 PolarHBondContact N-O 2.94Å; A33-K112 PolarHBondContact O-N 3.28Å |
| 34 | L | 96.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.6 | 171.9 | -173.8 | 67.7 | 0 | 0 | 0 | 109.5 | F10 L44 F89 V91 L140 | F10-L34 HydrophobicContact CB-CD2 4.38Å; F10-L34 HydrophobicContact CD1-CD1 4.47Å; F10-L34 HydrophobicContact CD1-CD2 4.47Å; F10-L34 HydrophobicContact CD2-CD2 3.61Å; F10-L34 HydrophobicContact CE2-CD2 3.96Å; F10-L34 HydrophobicContact CG-CD2 3.92Å; L34-L44 HydrophobicContact CB-CD1 4.38Å; L34-L44 HydrophobicContact CD2-CD1 4.08Å; L34-L44 VanDerWaalsContact O-CD2 3.25Å; L34-L44 WeakPolarHBondContact O-CD2 3.16Å; L34-F89 HydrophobicContact CB-CB 4.06Å; L34-F89 HydrophobicContact CB-CD1 3.56Å; L34-F89 HydrophobicContact CB-CD2 4.38Å; L34-F89 HydrophobicContact CB-CE1 4.07Å; L34-F89 HydrophobicContact CB-CG 3.75Å; L34-F89 HydrophobicContact CD2-CB 3.6Å; L34-F89 HydrophobicContact CD2-CG 4.19Å; L34-F89 HydrophobicContact CG-CB 4.47Å; L34-V91 HydrophobicContact CD2-CG2 3.54Å; L34-L140 HydrophobicContact CD1-CD1 3.8Å |
| 35 | K | 94.9 | Very high | 91.4 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.8 | 173.6 | -63.9 | -175.7 | 177.9 | -175.6 | 0 | 109.8 | F109 Q110 | K35-F109 WeakPolarHBondContact O-CA 3.31Å; K35-Q110 HydrophobicContact CB-CB 4.32Å; K35-Q110 PolarHBondContact N-O 2.78Å; K35-Q110 PolarHBondContact O-N 3.47Å |
| 36 | V | 93.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.9 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | H42 V91 L93 V107 F109 | V36-H42 HydrophobicContact CG1-CB 4.49Å; V36-H42 PolarHBondContact O-CE1 3.41Å; V36-V91 HydrophobicContact CG1-CG1 4.49Å; V36-V91 HydrophobicContact CG2-CG1 3.9Å; V36-V91 HydrophobicContact CG2-CG2 4.09Å; V36-L93 HydrophobicContact CG1-CD2 4.14Å; V36-V107 HydrophobicContact CG1-CG1 3.66Å; V36-F109 HydrophobicContact CG1-CD1 4.25Å; V36-F109 HydrophobicContact CG1-CE1 3.96Å; V36-F109 HydrophobicContact CG2-CD1 3.95Å; V36-F109 HydrophobicContact CG2-CE1 4.1Å |
| 37 | S | 86 | Confident | 90.5 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -52.8 | 130.8 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | R39 V40 D108 | S37-R39 PolarHBondContact O-N 3.26Å; S37-R39 VanDerWaalsContact O-N 3.1Å; S37-R39 WeakPolarHBondContact OG-CG 3.22Å; S37-R39 PolarHBondContact OG-N 2.97Å; S37-V40 PolarHBondContact O-N 3.45Å; S37-D108 PolarHBondContact N-O 3.16Å | ||
| 38 | P | 79.5 | Confident | 89.7 | Confident | 101 Ų | 101 | 48.1 Ų | 48.1 | 66% | 0.656 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.3 | 178.7 | 30.6 | -36.1 | 0 | 0 | 0 | 113.1 | V40 | P38-V40 PolarHBondContact O-N 2.87Š|
| 39 | R | 84.6 | Confident | 88 | Confident | 226 Ų | 226 | 53.9 Ų | 53.9 | 85% | 0.853 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.9 | 177.6 | -64.7 | -178.6 | -178.3 | 172.1 | -0.1 | 112.7 | S37 | S37-R39 PolarHBondContact O-N 3.26Å; S37-R39 VanDerWaalsContact O-N 3.1Å; S37-R39 WeakPolarHBondContact OG-CG 3.22Å; S37-R39 PolarHBondContact OG-N 2.97Å |
| 40 | V | 84.9 | Confident | 86.2 | Confident | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -109.7 | 124.9 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | S37 P38 H42 L93 L94 L95 V107 | S37-V40 PolarHBondContact O-N 3.45Å; P38-V40 PolarHBondContact O-N 2.87Å; V40-H42 PolarHBondContact O-N 3.09Å; V40-H42 PolarHBondContact O-ND1 3.34Å; V40-L93 HydrophobicContact CG1-CB 4.49Å; V40-L93 HydrophobicContact CG1-CD2 4.09Å; V40-L94 WeakPolarHBondContact CG1-O 3.41Å; V40-L95 HydrophobicContact CG1-CD2 4.04Å; V40-V107 HydrophobicContact CB-CG2 4.36Å; V40-V107 HydrophobicContact CG1-CG2 4.45Å; V40-V107 HydrophobicContact CG2-CG2 3.85Å |
| 41 | P | 88.8 | Confident | 84.2 | Confident | 41 Ų | 41 | 66 Ų | 66 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -58.8 | 124.5 | 175.2 | -19.2 | 30.3 | 0 | 0 | 0 | 109.9 | L94 F182 | P41-L94 HydrophobicContact CB-CB 4.11Å; P41-L94 HydrophobicContact CG-CB 4.46Å; P41-L94 PolarHBondContact O-N 2.85Å; P41-F182 HydrophobicContact CB-CB 3.74Å; P41-F182 HydrophobicContact CB-CD1 4.22Å; P41-F182 HydrophobicContact CB-CG 4.13Å | ||
| 42 | H | 90.9 | Very high | 81.8 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 31% | 0.306 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 161.2 | -172.6 | 67.9 | -91.6 | 0 | 0 | 0 | 113 | V36 V40 V91 H92 L93 | V36-H42 HydrophobicContact CG1-CB 4.49Å; V36-H42 PolarHBondContact O-CE1 3.41Å; V40-H42 PolarHBondContact O-N 3.09Å; V40-H42 PolarHBondContact O-ND1 3.34Å; H42-V91 HydrophobicContact CB-CG1 4.43Å; H42-H92 CarbonylContact C-O 3.54Å; H42-H92 WeakPolarHBondContact CA-O 3.48Å; H42-H92 WeakPolarHBondContact CB-O 3.43Å; H42-L93 HydrophobicContact CB-CD2 3.7Å |
| 43 | R | 89.6 | Confident | 79.7 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.7 | 170.5 | 179.5 | 177 | 171.7 | 166.4 | 1.3 | 109.2 | N45 H92 | R43-N45 PolarHBondContact NE-OD1 3.42Å; R43-H92 HydrophobicContact CB-CB 4.4Å; R43-H92 PolarHBondContact N-O 3.39Å; R43-H92 PolarHBondContact O-N 3.25Å |
| 44 | L | 90.5 | Very high | 77.7 | Confident | 51 Ų | 51 | 79 Ų | 79 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129.2 | 177.7 | 178.8 | 70 | 0 | 0 | 0 | 109.7 | L34 V46 F89 V91 | L34-L44 HydrophobicContact CB-CD1 4.38Å; L34-L44 HydrophobicContact CD2-CD1 4.08Å; L34-L44 VanDerWaalsContact O-CD2 3.25Å; L34-L44 WeakPolarHBondContact O-CD2 3.16Å; L44-V46 HydrophobicContact CD1-CG2 4.43Å; L44-V46 HydrophobicContact CD2-CG2 4.13Å; L44-V46 HydrophobicContact CG-CG2 3.94Å; L44-F89 HydrophobicContact CD1-CB 4.14Å; L44-F89 HydrophobicContact CD1-CD1 4.43Å; L44-V91 HydrophobicContact CD1-CG2 3.77Å |
| 45 | N | 88.4 | Confident | 75.7 | Confident | 56 Ų | 56 | 79.9 Ų | 79.9 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.8 | 168.5 | -60.5 | -37.7 | 0 | 0 | 0 | 108.5 | R43 K90 H92 | R43-N45 PolarHBondContact NE-OD1 3.42Å; N45-K90 HydrophobicContact CB-CB 4.4Å; N45-K90 PolarHBondContact N-O 2.73Å; N45-K90 PolarHBondContact O-N 2.85Å; N45-H92 PolarHBondContact ND2-CD2 3.05Å; N45-H92 PolarHBondContact ND2-NE2 2.92Å |
| 46 | V | 88.1 | Confident | 74.1 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.4 | -170.6 | -175 | 0 | 0 | 0 | 0 | 109.6 | L44 V62 V67 F89 | L44-V46 HydrophobicContact CD1-CG2 4.43Å; L44-V46 HydrophobicContact CD2-CG2 4.13Å; L44-V46 HydrophobicContact CG-CG2 3.94Å; V46-V62 HydrophobicContact CB-CG1 4.09Å; V46-V62 HydrophobicContact CG1-CG1 4.02Å; V46-V62 HydrophobicContact CG1-CG2 4.29Å; V46-V67 HydrophobicContact CG1-CB 4.46Å; V46-V67 HydrophobicContact CG1-CG2 3.01Å; V46-F89 HydrophobicContact CB-CD1 4.44Å; V46-F89 HydrophobicContact CG1-CD1 3.95Å; V46-F89 HydrophobicContact CG1-CE1 3.86Å; V46-F89 HydrophobicContact CG2-CD1 3.75Å; V46-F89 HydrophobicContact CG2-CE1 4.17Å |
| 47 | T | 78.8 | Confident | 72.6 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.9 | -178.6 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | I88 | T47-I88 PolarHBondContact N-O 2.9Å; T47-I88 PolarHBondContact O-N 2.89Å |
| 48 | T | 76.4 | Confident | 71.7 | Confident | 13 Ų | 13 | 86.3 Ų | 86.3 | 8% | 0.08 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 162.6 | 173 | 43.4 | 0 | 0 | 0 | 0 | 110.7 | D50 A60 V62 V67 | T48-D50 PolarHBondContact O-N 2.94Å; T48-D50 PolarHBondContact OG1-O 2.92Å; T48-A60 HydrophobicContact CG2-CB 3.98Å; T48-V62 HydrophobicContact CG2-CG2 3.84Å; T48-V67 HydrophobicContact CG2-CG1 3.33Å |
| 49 | N | 59.7 | Low | 71.4 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -58 | -38.1 | 178 | -108.8 | 17.9 | 0 | 0 | 0 | 112.6 | ||
| 50 | D | 57.6 | Low | 71.1 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 60% | 0.599 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -98.8 | 106.7 | 173.1 | -70.9 | -36.9 | 0 | 0 | 0 | 109.1 | T48 A52 | T48-D50 PolarHBondContact O-N 2.94Å; T48-D50 PolarHBondContact OG1-O 2.92Å; D50-A52 PolarHBondContact O-N 2.91Å |
| 51 | N | 52.7 | Low | 70.9 | Confident | 146 Ų | 146 | 71.2 Ų | 71.2 | 78% | 0.781 | 40% | 0.4 | S | S | * | . | trans | -74.5 | 56.9 | 172.2 | -82.3 | -29.1 | 0 | 0 | 0 | 111.1 | ||||
| 52 | A | 44.8 | Very low | 70.5 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | trans | -112.5 | 124.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | D50 | D50-A52 PolarHBondContact O-N 2.91Š| ||
| 53 | G | 52.6 | Low | 69.9 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 78% | 0.784 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -55 | 151.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 54 | E | 52.9 | Low | 69.3 | Low | 178 Ų | 178 | 75.8 Ų | 75.8 | 83% | 0.832 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 68 | 123.3 | -177.5 | -62.9 | 179.2 | 170.7 | 0 | 0 | 115.1 | S56 | E54-S56 PolarHBondContact O-N 3.17Š|
| 55 | C | 54.6 | Low | 68.6 | Low | 27 Ų | 27 | 75.2 Ų | 75.2 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | trans | -62.9 | 133.2 | 170 | -58.1 | 0 | 0 | 0 | 0 | 108 | G61 F68 I127 | C55-G61 WeakPolarHBondContact SG-CA 3.36Å; C55-F68 HydrophobicContact CB-CB 4.48Å; C55-F68 WeakPolarHBondContact SG-CB 3.31Å; C55-I127 HydrophobicContact CB-CD1 3.72Å; C55-I127 WeakPolarHBondContact O-CD1 3.3Å | ||
| 56 | S | 62 | Low | 68.5 | Low | 53 Ų | 53 | 74.2 Ų | 74.2 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 173 | 173.8 | 79 | 0 | 0 | 0 | 0 | 109.9 | E54 N58 S59 | E54-S56 PolarHBondContact O-N 3.17Å; S56-N58 PolarHBondContact O-N 3Å; S56-N58 VanDerWaalsContact O-N 3.12Å; S56-N58 PolarHBondContact OG-N 3.48Å; S56-S59 PolarHBondContact N-OG 2.97Å; S56-S59 PolarHBondContact O-N 2.89Å; S56-S59 PolarHBondContact OG-N 3.17Å; S56-S59 PolarHBondContact OG-OG 2.91Å |
| 57 | F | 62.2 | Low | 68.6 | Low | 94 Ų | 94 | 73.1 Ų | 73.1 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -36.5 | 173.2 | -85.9 | -91.9 | 0 | 0 | 0 | 112.9 | F27 I71 L124 | F27-F57 HydrophobicContact CD1-CE1 4.37Å; F27-F57 HydrophobicContact CE1-CE1 4.19Å; F57-I71 HydrophobicContact CD1-CB 4.38Å; F57-I71 HydrophobicContact CD1-CG2 4.33Å; F57-I71 PolarHBondContact O-N 3.47Å; F57-L124 HydrophobicContact CE1-CB 4.41Å; F57-L124 HydrophobicContact CE1-CD1 3.35Å; F57-L124 HydrophobicContact CE1-CG 4.45Å; F57-L124 HydrophobicContact CE2-CB 4.07Å; F57-L124 HydrophobicContact CE2-CD1 4.39Å; F57-L124 HydrophobicContact CZ-CB 3.73Å; F57-L124 HydrophobicContact CZ-CD1 3.29Å; F57-L124 HydrophobicContact CZ-CG 4.13Å |
| 58 | N | 65.9 | Low | 69.2 | Low | 137 Ų | 137 | 70.2 Ų | 70.2 | 73% | 0.733 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -5.4 | -168.5 | -66.5 | -3.2 | 0 | 0 | 0 | 113.6 | S56 | S56-N58 PolarHBondContact O-N 3Å; S56-N58 VanDerWaalsContact O-N 3.12Å; S56-N58 PolarHBondContact OG-N 3.48Å |
| 59 | S | 74.1 | Confident | 69.9 | Low | 24 Ų | 24 | 69.6 Ų | 69.6 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -132.3 | 142.9 | -173.4 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | S56 | S56-S59 PolarHBondContact N-OG 2.97Å; S56-S59 PolarHBondContact O-N 2.89Å; S56-S59 PolarHBondContact OG-N 3.17Å; S56-S59 PolarHBondContact OG-OG 2.91Å |
| 60 | A | 77.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 66.9 Ų | 66.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | trans | -63.6 | 155.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T48 F68 D85 | T48-A60 HydrophobicContact CG2-CB 3.98Å; A60-F68 CarbonylContact C-O 3.11Å; A60-F68 WeakPolarHBondContact CA-O 3.4Å; A60-F68 WeakPolarHBondContact CB-O 3.46Å; A60-D85 HydrophobicContact CB-CB 4.46Å | ||
| 61 | G | 80.5 | Confident | 73 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 175.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | C55 V67 F68 | C55-G61 WeakPolarHBondContact SG-CA 3.36Å; G61-V67 CarbonylContact O-C 3.55Å; G61-V67 WeakPolarHBondContact O-CA 2.81Å; G61-V67 WeakPolarHBondContact O-CG1 3.4Å; G61-F68 PolarHBondContact N-O 3.45Å; G61-F68 PolarHBondContact O-N 3.16Å |
| 62 | V | 80.4 | Confident | 74.9 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 39% | 0.394 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.1 | -175 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | V46 T48 S66 V67 | V46-V62 HydrophobicContact CB-CG1 4.09Å; V46-V62 HydrophobicContact CG1-CG1 4.02Å; V46-V62 HydrophobicContact CG1-CG2 4.29Å; T48-V62 HydrophobicContact CG2-CG2 3.84Å; V62-S66 WeakPolarHBondContact CA-O 3.02Å; V62-V67 HydrophobicContact CG2-CG2 4.45Å |
| 63 | Y | 78.8 | Confident | 77.2 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 130.5 | 174.5 | 176.3 | -89.4 | 0 | 0 | 0 | 110.6 | G65 S66 F68 V128 | Y63-G65 PolarHBondContact O-N 2.76Å; Y63-G65 VanDerWaalsContact O-N 3.12Å; Y63-S66 PolarHBondContact N-O 2.78Å; Y63-S66 PolarHBondContact O-N 2.81Å; Y63-S66 VanDerWaalsContact O-O 3.13Å; Y63-F68 VanDerWaalsContact CB-CE2 3.47Å; Y63-F68 HydrophobicContact CD1-CE2 4.26Å; Y63-F68 AromaticContact CD1-CZ 3.94Å; Y63-F68 HydrophobicContact CD1-CZ 3.94Å; Y63-F68 HydrophobicContact CG-CE2 4.31Å; Y63-F68 HydrophobicContact CG-CZ 4.19Å; Y63-V128 HydrophobicContact CD1-CG1 4.07Å; Y63-V128 HydrophobicContact CD1-CG2 4Å; Y63-V128 HydrophobicContact CD2-CG2 3.9Å; Y63-V128 HydrophobicContact CE1-CB 4.35Å; Y63-V128 HydrophobicContact CE1-CG1 3.41Å; Y63-V128 VanDerWaalsContact CE1-CG1 3.41Å; Y63-V128 HydrophobicContact CE1-CG2 3.92Å; Y63-V128 HydrophobicContact CE2-CG1 4.48Å; Y63-V128 HydrophobicContact CE2-CG2 3.83Å; Y63-V128 HydrophobicContact CG-CG2 3.98Å |
| 64 | E | 77.1 | Confident | 79.2 | Confident | 163 Ų | 163 | 53.1 Ų | 53.1 | 76% | 0.762 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 42.1 | 177.7 | -71.2 | -68.7 | 151.3 | 0 | 0 | 113.9 | S66 | E64-S66 PolarHBondContact O-N 2.79Š|
| 65 | G | 76.1 | Confident | 81 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 7.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y63 | Y63-G65 PolarHBondContact O-N 2.76Å; Y63-G65 VanDerWaalsContact O-N 3.12Å |
| 66 | S | 84.6 | Confident | 82.6 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 150.1 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | A32 V62 Y63 E64 | A32-S66 WeakPolarHBondContact O-CA 3.18Å; V62-S66 WeakPolarHBondContact CA-O 3.02Å; Y63-S66 PolarHBondContact N-O 2.78Å; Y63-S66 PolarHBondContact O-N 2.81Å; Y63-S66 VanDerWaalsContact O-O 3.13Å; E64-S66 PolarHBondContact O-N 2.79Å |
| 67 | V | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.2 | 174.9 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | R31 A32 V46 T48 G61 V62 M87 F89 | R31-V67 CarbonylContact C-O 3.55Å; R31-V67 VanDerWaalsContact CA-O 3.28Å; R31-V67 WeakPolarHBondContact CA-O 3.31Å; A32-V67 PolarHBondContact N-O 3.27Å; A32-V67 PolarHBondContact O-N 3.42Å; V46-V67 HydrophobicContact CG1-CB 4.46Å; V46-V67 HydrophobicContact CG1-CG2 3.01Å; T48-V67 HydrophobicContact CG2-CG1 3.33Å; G61-V67 CarbonylContact O-C 3.55Å; G61-V67 WeakPolarHBondContact O-CA 2.81Å; G61-V67 WeakPolarHBondContact O-CG1 3.4Å; V62-V67 HydrophobicContact CG2-CG2 4.45Å; V67-M87 HydrophobicContact CB-CB 4.16Å; V67-M87 HydrophobicContact CB-CE 4.26Å; V67-M87 HydrophobicContact CB-CG 4.01Å; V67-M87 HydrophobicContact CB-SD 3.7Å; V67-M87 HydrophobicContact CG1-CB 3.96Å; V67-M87 HydrophobicContact CG1-CE 3.9Å; V67-M87 HydrophobicContact CG1-CG 3.55Å; V67-M87 HydrophobicContact CG1-SD 3.74Å; V67-M87 HydrophobicContact CG2-CB 4.16Å; V67-F89 HydrophobicContact CB-CZ 4.32Å; V67-F89 HydrophobicContact CG2-CE1 3.86Å; V67-F89 HydrophobicContact CG2-CE2 4.47Å; V67-F89 HydrophobicContact CG2-CZ 3.7Å |
| 68 | F | 91.1 | Very high | 85 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.4 | -178.3 | -68.5 | -124.2 | 0 | 0 | 0 | 106.4 | Q29 R31 C55 A60 G61 Y63 I127 | Q29-F68 VanDerWaalsContact OE1-CD1 3.32Å; R31-F68 VanDerWaalsContact CD-CE1 3.48Å; R31-F68 HydrophobicContact CG-CD1 3.99Å; R31-F68 HydrophobicContact CG-CE1 4.17Å; R31-F68 HydrophobicContact CG-CG 4.2Å; R31-F68 HydrophobicContact CG-CZ 4.48Å; R31-F68 VanDerWaalsContact CZ-CE1 3.43Å; C55-F68 HydrophobicContact CB-CB 4.48Å; C55-F68 WeakPolarHBondContact SG-CB 3.31Å; A60-F68 CarbonylContact C-O 3.11Å; A60-F68 WeakPolarHBondContact CA-O 3.4Å; A60-F68 WeakPolarHBondContact CB-O 3.46Å; G61-F68 PolarHBondContact N-O 3.45Å; G61-F68 PolarHBondContact O-N 3.16Å; Y63-F68 VanDerWaalsContact CB-CE2 3.47Å; Y63-F68 HydrophobicContact CD1-CE2 4.26Å; Y63-F68 AromaticContact CD1-CZ 3.94Å; Y63-F68 HydrophobicContact CD1-CZ 3.94Å; Y63-F68 HydrophobicContact CG-CE2 4.31Å; Y63-F68 HydrophobicContact CG-CZ 4.19Å; F68-I127 HydrophobicContact CD1-CG2 3.95Å; F68-I127 HydrophobicContact CE1-CG2 4.26Å |
| 69 | S | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -69 | 166.5 | 166.6 | 74.1 | 0 | 0 | 0 | 0 | 110.2 | Q29 I30 D85 | Q29-S69 PolarHBondContact NE2-O 3.43Å; I30-S69 PolarHBondContact N-OG 3.38Å; I30-S69 WeakPolarHBondContact O-CB 3.27Å; I30-S69 PolarHBondContact O-N 3.29Å; I30-S69 PolarHBondContact O-OG 2.96Å; S69-D85 WeakPolarHBondContact CA-OD2 3.31Å; S69-D85 WeakPolarHBondContact CB-OD2 3.42Å |
| 70 | R | 89.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 59 Ų | 59 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 151.5 | 158.9 | 75.4 | -168.8 | -163.5 | 104.2 | 4.3 | 109.9 | A82 V83 D85 | R70-A82 PolarHBondContact NH2-O 3.41Å; R70-V83 WeakPolarHBondContact CD-O 3.32Å; R70-V83 HydrophobicContact CG-CG1 4.44Å; R70-V83 PolarHBondContact NE-O 2.81Å; R70-D85 PolarHBondContact N-OD2 2.95Å |
| 71 | I | 91.4 | Very high | 88 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 138.4 | 173.8 | -65.2 | 158.3 | 0 | 0 | 0 | 107.7 | F27 F57 L124 I127 | F27-I71 HydrophobicContact CB-CG2 3.9Å; F27-I71 HydrophobicContact CD1-CG2 4.07Å; F27-I71 HydrophobicContact CG-CG2 4.41Å; F57-I71 HydrophobicContact CD1-CB 4.38Å; F57-I71 HydrophobicContact CD1-CG2 4.33Å; F57-I71 PolarHBondContact O-N 3.47Å; I71-L124 HydrophobicContact CD1-CB 4.48Å; I71-L124 HydrophobicContact CD1-CD2 4.02Å; I71-L124 HydrophobicContact CG2-CD2 4.29Å; I71-I127 HydrophobicContact CD1-CD1 3.6Å; I71-I127 HydrophobicContact CD1-CG1 3.95Å |
| 72 | F | 93 | Very high | 88.5 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.3 | 175.9 | 55.4 | -83.6 | 0 | 0 | 0 | 111 | F17 Y28 I30 I74 I81 V83 | F17-F72 HydrophobicContact CB-CE2 4.08Å; F17-F72 HydrophobicContact CB-CZ 4.32Å; F17-F72 AromaticContact CD1-CE2 3.73Å; F17-F72 HydrophobicContact CD1-CE2 3.73Å; F17-F72 HydrophobicContact CD1-CZ 4.38Å; F17-F72 AromaticContact CD2-CE2 3.97Å; F17-F72 HydrophobicContact CD2-CE2 3.97Å; F17-F72 AromaticContact CD2-CZ 3.78Å; F17-F72 HydrophobicContact CD2-CZ 3.78Å; F17-F72 HydrophobicContact CE1-CE2 4.11Å; F17-F72 HydrophobicContact CE2-CE2 4.31Å; F17-F72 HydrophobicContact CE2-CZ 4.12Å; F17-F72 AromaticContact CG-CE2 3.64Å; F17-F72 HydrophobicContact CG-CE2 3.64Å; F17-F72 AromaticContact CG-CZ 3.9Å; F17-F72 HydrophobicContact CG-CZ 3.9Å; F17-F72 HydrophobicContact CZ-CE2 4.36Å; Y28-F72 HydrophobicContact CG-CE2 4.47Å; Y28-F72 PolarHBondContact N-O 3.1Å; Y28-F72 WeakPolarHBondContact O-CD1 3.44Å; Y28-F72 PolarHBondContact O-N 2.99Å; I30-F72 HydrophobicContact CD1-CZ 4.38Å; I30-F72 HydrophobicContact CG1-CE1 4.23Å; I30-F72 HydrophobicContact CG1-CZ 4.23Å; F72-I74 HydrophobicContact CD2-CD1 4.32Å; F72-I74 HydrophobicContact CD2-CG1 4.12Å; F72-I74 HydrophobicContact CE2-CD1 3.99Å; F72-I74 HydrophobicContact CE2-CG1 4.3Å; F72-I81 HydrophobicContact CB-CG2 3.99Å; F72-I81 HydrophobicContact CD2-CG2 4.38Å; F72-I81 HydrophobicContact CG-CG2 4.41Å; F72-V83 HydrophobicContact CD1-CG2 4.34Å; F72-V83 HydrophobicContact CE1-CG2 4.23Å |
| 73 | Q | 93.5 | Very high | 89 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 141.4 | 179.8 | -164.7 | 178.1 | 29.9 | 0 | 0 | 110.1 | G26 F27 L75 | G26-Q73 WeakPolarHBondContact O-CA 2.94Å; G26-Q73 WeakPolarHBondContact O-CG 3.44Å; F27-Q73 HydrophobicContact CD1-CB 4.07Å; F27-Q73 HydrophobicContact CD1-CG 4.13Å; F27-Q73 HydrophobicContact CE1-CB 4.11Å; F27-Q73 HydrophobicContact CE1-CG 3.98Å; F27-Q73 HydrophobicContact CZ-CG 4.49Å; Q73-L75 HydrophobicContact CG-CD2 3.99Å; Q73-L75 HydrophobicContact CG-CG 4.21Å |
| 74 | I | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.6 | 173.2 | -56.4 | -178.6 | 0 | 0 | 0 | 107.9 | F17 N19 L22 R25 G26 Y28 F72 I81 | F17-I74 HydrophobicContact CD1-CD1 3.84Å; F17-I74 HydrophobicContact CE1-CD1 3.39Å; F17-I74 HydrophobicContact CZ-CD1 4.25Å; N19-I74 HydrophobicContact CB-CD1 4.33Å; N19-I74 HydrophobicContact CB-CG2 3.96Å; N19-I74 WeakPolarHBondContact ND2-CG2 3.07Å; L22-I74 HydrophobicContact CD1-CD1 3.47Å; L22-I74 VanDerWaalsContact CD1-CD1 3.47Å; R25-I74 WeakPolarHBondContact CA-O 3.3Å; G26-I74 PolarHBondContact N-O 2.84Å; G26-I74 VanDerWaalsContact N-O 3.1Å; G26-I74 PolarHBondContact O-N 3.45Å; Y28-I74 HydrophobicContact CD1-CD1 4.5Å; Y28-I74 HydrophobicContact CD2-CB 3.89Å; Y28-I74 HydrophobicContact CD2-CD1 3.48Å; Y28-I74 VanDerWaalsContact CD2-CD1 3.48Å; Y28-I74 HydrophobicContact CD2-CG1 3.6Å; Y28-I74 HydrophobicContact CE2-CB 3.81Å; Y28-I74 HydrophobicContact CE2-CD1 3.77Å; Y28-I74 HydrophobicContact CE2-CG1 3.99Å; Y28-I74 HydrophobicContact CG-CD1 3.88Å; Y28-I74 HydrophobicContact CG-CG1 4.36Å; F72-I74 HydrophobicContact CD2-CD1 4.32Å; F72-I74 HydrophobicContact CD2-CG1 4.12Å; F72-I74 HydrophobicContact CE2-CD1 3.99Å; F72-I74 HydrophobicContact CE2-CG1 4.3Å; I74-I81 HydrophobicContact CD1-CD1 4.32Å; I74-I81 HydrophobicContact CG1-CD1 3.89Å |
| 75 | L | 90.8 | Very high | 89.8 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 32% | 0.319 | 26% | 0.258 | S | S | . | . | trans | -116.8 | -29.1 | -176.4 | -63.8 | 178.4 | 0 | 0 | 0 | 111.8 | R25 Q73 E79 | R25-L75 WeakPolarHBondContact CD-O 3.37Å; R25-L75 WeakPolarHBondContact CG-O 3.35Å; R25-L75 PolarHBondContact NE-O 3.16Å; Q73-L75 HydrophobicContact CG-CD2 3.99Å; Q73-L75 HydrophobicContact CG-CG 4.21Å; L75-E79 PolarHBondContact N-OE2 3.48Å | ||
| 76 | Y | 88.6 | Confident | 90.3 | Very high | 148 Ų | 148 | 50.5 Ų | 50.5 | 58% | 0.58 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -127.8 | 153.9 | -172.2 | -55 | -72.2 | 0 | 0 | 0 | 112.1 | N19 E79 | N19-Y76 PolarHBondContact ND2-O 2.67Å; Y76-E79 PolarHBondContact N-OE2 2.76Å; Y76-E79 VanDerWaalsContact O-CB 3.24Å; Y76-E79 WeakPolarHBondContact O-CB 3.31Å |
| 77 | R | 86.8 | Confident | 90.4 | Very high | 156 Ų | 156 | 48.8 Ų | 48.8 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 149.3 | 169.3 | -174.7 | 178.8 | 176.5 | 151.2 | 5.5 | 109.4 | V20 D21 E79 | V20-R77 WeakPolarHBondContact O-CG 3.48Å; V20-R77 PolarHBondContact O-NE 2.69Å; V20-R77 VanDerWaalsContact O-NE 3.09Å; D21-R77 WeakPolarHBondContact OD1-CD 3.36Å; D21-R77 IonicContact OD1-CZ 3.08Å; D21-R77 IonicContact OD1-NE 3.98Å; D21-R77 PolarHBondContact OD1-NE 3.39Å; D21-R77 IonicContact OD1-NH1 2.94Å; D21-R77 PolarHBondContact OD1-NH1 2.74Å; D21-R77 IonicContact OD1-NH2 2.87Å; D21-R77 IonicContact OD2-CZ 3.81Å; D21-R77 IonicContact OD2-NE 3.63Å; D21-R77 IonicContact OD2-NH1 3.34Å; D21-R77 PolarHBondContact OD2-NH1 3.32Å; D21-R77 IonicContact OD2-NH2 3.08Å; D21-R77 PolarHBondContact OD2-NH2 3.28Å; R77-E79 PolarHBondContact O-N 2.94Å |
| 78 | N | 88.3 | Confident | 90.3 | Very high | 113 Ų | 113 | 50 Ų | 50 | 60% | 0.604 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 29.1 | -179.5 | -159 | 46 | 0 | 0 | 0 | 112.9 | H18 N19 | H18-N78 PolarHBondContact CE1-OD1 3.23Å; H18-N78 PolarHBondContact NE2-OD1 2.99Å; N19-N78 CarbonylContact O-C 3.16Å; N19-N78 WeakPolarHBondContact O-CA 3.33Å; N19-N78 PolarHBondContact O-N 3.1Å |
| 79 | E | 91.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 139 | 179.2 | -172.2 | 172.3 | -167.5 | 0 | 0 | 110.3 | N19 L75 Y76 R77 I81 | N19-E79 HydrophobicContact CB-CB 4.38Å; N19-E79 PolarHBondContact N-O 3.42Å; N19-E79 PolarHBondContact O-N 3.32Å; L75-E79 PolarHBondContact N-OE2 3.48Å; Y76-E79 PolarHBondContact N-OE2 2.76Å; Y76-E79 VanDerWaalsContact O-CB 3.24Å; Y76-E79 WeakPolarHBondContact O-CB 3.31Å; R77-E79 PolarHBondContact O-N 2.94Å; E79-I81 HydrophobicContact CB-CD1 4.29Å; E79-I81 HydrophobicContact CG-CD1 3.81Å; E79-I81 HydrophobicContact CG-CG1 4.24Å |
| 80 | E | 94.6 | Very high | 90.3 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127 | 174.4 | -174.6 | -178.4 | 96.8 | 0 | 0 | 109.6 | K16 F17 | K16-E80 HydrophobicContact CB-CG 4.23Å; K16-E80 HydrophobicContact CD-CG 4.34Å; K16-E80 WeakPolarHBondContact CD-OE1 3.5Å; K16-E80 VanDerWaalsContact CE-OE1 3.31Å; K16-E80 WeakPolarHBondContact CE-OE1 3.35Å; K16-E80 IonicContact NZ-OE1 2.64Å; K16-E80 PolarHBondContact NZ-OE1 2.89Å; K16-E80 IonicContact NZ-OE2 2.71Å; F17-E80 CarbonylContact O-C 3.55Å; F17-E80 WeakPolarHBondContact O-CA 3.24Å |
| 81 | I | 94.5 | Very high | 90.4 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.9 | -179 | -54.1 | 91.9 | 0 | 0 | 0 | 109 | K16 F17 F72 I74 E79 V83 | K16-I81 CarbonylContact C-O 3.46Å; K16-I81 WeakPolarHBondContact CA-O 3.48Å; F17-I81 HydrophobicContact CD1-CD1 4.27Å; F17-I81 PolarHBondContact N-O 2.75Å; F17-I81 PolarHBondContact O-N 3.29Å; F72-I81 HydrophobicContact CB-CG2 3.99Å; F72-I81 HydrophobicContact CD2-CG2 4.38Å; F72-I81 HydrophobicContact CG-CG2 4.41Å; I74-I81 HydrophobicContact CD1-CD1 4.32Å; I74-I81 HydrophobicContact CG1-CD1 3.89Å; E79-I81 HydrophobicContact CB-CD1 4.29Å; E79-I81 HydrophobicContact CG-CD1 3.81Å; E79-I81 HydrophobicContact CG-CG1 4.24Å; I81-V83 PolarHBondContact O-N 2.9Å |
| 82 | A | 91.6 | Very high | 90.4 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 105.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R70 | R70-A82 PolarHBondContact NH2-O 3.41Å |
| 83 | V | 90.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -53.2 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | L14 H15 F17 R70 F72 I81 D85 I164 | L14-V83 HydrophobicContact CB-CB 4.28Å; L14-V83 HydrophobicContact CB-CG1 3.97Å; L14-V83 HydrophobicContact CD1-CG1 4.32Å; H15-V83 WeakPolarHBondContact O-CA 2.97Å; H15-V83 VanDerWaalsContact O-CB 3.31Å; H15-V83 WeakPolarHBondContact O-CB 3.21Å; H15-V83 PolarHBondContact O-N 2.63Å; F17-V83 HydrophobicContact CB-CG2 3.92Å; R70-V83 WeakPolarHBondContact CD-O 3.32Å; R70-V83 HydrophobicContact CG-CG1 4.44Å; R70-V83 PolarHBondContact NE-O 2.81Å; F72-V83 HydrophobicContact CD1-CG2 4.34Å; F72-V83 HydrophobicContact CE1-CG2 4.23Å; I81-V83 PolarHBondContact O-N 2.9Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-D85 HydrophobicContact CG1-CB 4.27Å; V83-D85 PolarHBondContact O-N 2.79Å; V83-I164 HydrophobicContact CG2-CD1 3.97Å |
| 84 | N | 87.3 | Confident | 90.1 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 58% | 0.578 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 33.6 | 174.8 | -61.6 | -21 | 0 | 0 | 0 | 116.1 | L14 H15 | L14-N84 CarbonylContact O-C 3.54Å; L14-N84 WeakPolarHBondContact O-CA 3.24Å; L14-N84 PolarHBondContact O-N 3.28Å; H15-N84 PolarHBondContact O-N 2.71Å |
| 85 | D | 85.7 | Confident | 89.8 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.102 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 147.2 | 177.9 | -70.9 | -29 | 0 | 0 | 0 | 112.1 | E13 L14 A60 S69 R70 V83 | E13-D85 CarbonylContact C-O 3.49Å; E13-D85 WeakPolarHBondContact CA-O 3.39Å; L14-D85 HydrophobicContact CB-CB 4.48Å; L14-D85 PolarHBondContact N-O 2.9Å; L14-D85 PolarHBondContact O-N 2.99Å; L14-D85 VanDerWaalsContact O-N 3.12Å; A60-D85 HydrophobicContact CB-CB 4.46Å; S69-D85 WeakPolarHBondContact CA-OD2 3.31Å; S69-D85 WeakPolarHBondContact CB-OD2 3.42Å; R70-D85 PolarHBondContact N-OD2 2.95Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-D85 HydrophobicContact CG1-CB 4.27Å; V83-D85 PolarHBondContact O-N 2.79Å |
| 86 | C | 85.3 | Confident | 89.5 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.5 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | S11 | S11-C86 PolarHBondContact OG-SG 3.25Å |
| 87 | M | 88.1 | Confident | 89 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.1 | -173.5 | -49.7 | -179.8 | 167.4 | 0 | 0 | 108.9 | V12 L14 A32 V67 F89 | V12-M87 HydrophobicContact CB-CB 4.32Å; V12-M87 PolarHBondContact N-O 3.34Å; V12-M87 PolarHBondContact O-N 3.17Å; L14-M87 HydrophobicContact CD1-CE 3.48Å; L14-M87 VanDerWaalsContact CD1-CE 3.48Å; L14-M87 HydrophobicContact CD1-SD 4.38Å; L14-M87 HydrophobicContact CG-CE 4.18Å; A32-M87 HydrophobicContact CB-CE 4.37Å; A32-M87 HydrophobicContact CB-SD 3.37Å; A32-M87 WeakPolarHBondContact CB-SD 3.45Å; V67-M87 HydrophobicContact CB-CB 4.16Å; V67-M87 HydrophobicContact CB-CE 4.26Å; V67-M87 HydrophobicContact CB-CG 4.01Å; V67-M87 HydrophobicContact CB-SD 3.7Å; V67-M87 HydrophobicContact CG1-CB 3.96Å; V67-M87 HydrophobicContact CG1-CE 3.9Å; V67-M87 HydrophobicContact CG1-CG 3.55Å; V67-M87 HydrophobicContact CG1-SD 3.74Å; V67-M87 HydrophobicContact CG2-CB 4.16Å; M87-F89 HydrophobicContact CB-CE2 3.89Å; M87-F89 HydrophobicContact CB-CZ 4.4Å |
| 88 | I | 87.3 | Confident | 88.7 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.4 | -177.8 | -53.5 | -58.6 | 0 | 0 | 0 | 109.7 | E9 F10 S11 T47 | E9-I88 HydrophobicContact CG-CG2 3.76Å; F10-I88 CarbonylContact O-C 3.6Å; F10-I88 WeakPolarHBondContact O-CA 3.31Å; S11-I88 WeakPolarHBondContact OG-CD1 3.39Å; T47-I88 PolarHBondContact N-O 2.9Å; T47-I88 PolarHBondContact O-N 2.89Å |
| 89 | F | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 121.6 | 174.2 | -57.7 | -92.3 | 0 | 0 | 0 | 109.4 | F10 V12 A32 L34 L44 V46 V67 M87 | F10-F89 HydrophobicContact CB-CB 4.2Å; F10-F89 PolarHBondContact N-O 3.29Å; F10-F89 PolarHBondContact O-N 3.23Å; V12-F89 HydrophobicContact CB-CE2 4.19Å; V12-F89 HydrophobicContact CG2-CD2 3.98Å; V12-F89 HydrophobicContact CG2-CE2 3.86Å; A32-F89 HydrophobicContact CB-CZ 4.06Å; L34-F89 HydrophobicContact CB-CB 4.06Å; L34-F89 HydrophobicContact CB-CD1 3.56Å; L34-F89 HydrophobicContact CB-CD2 4.38Å; L34-F89 HydrophobicContact CB-CE1 4.07Å; L34-F89 HydrophobicContact CB-CG 3.75Å; L34-F89 HydrophobicContact CD2-CB 3.6Å; L34-F89 HydrophobicContact CD2-CG 4.19Å; L34-F89 HydrophobicContact CG-CB 4.47Å; L44-F89 HydrophobicContact CD1-CB 4.14Å; L44-F89 HydrophobicContact CD1-CD1 4.43Å; V46-F89 HydrophobicContact CB-CD1 4.44Å; V46-F89 HydrophobicContact CG1-CD1 3.95Å; V46-F89 HydrophobicContact CG1-CE1 3.86Å; V46-F89 HydrophobicContact CG2-CD1 3.75Å; V46-F89 HydrophobicContact CG2-CE1 4.17Å; V67-F89 HydrophobicContact CB-CZ 4.32Å; V67-F89 HydrophobicContact CG2-CE1 3.86Å; V67-F89 HydrophobicContact CG2-CE2 4.47Å; V67-F89 HydrophobicContact CG2-CZ 3.7Å; M87-F89 HydrophobicContact CB-CE2 3.89Å; M87-F89 HydrophobicContact CB-CZ 4.4Å |
| 90 | K | 91.4 | Very high | 87.9 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.7 | 179.3 | -169.7 | 171.3 | -172 | 169.5 | 0 | 110 | T7 L8 N45 | T7-K90 HydrophobicContact CG2-CD 4.21Å; T7-K90 HydrophobicContact CG2-CG 3.8Å; L8-K90 CarbonylContact O-C 3.48Å; L8-K90 WeakPolarHBondContact O-CA 3.38Å; N45-K90 HydrophobicContact CB-CB 4.4Å; N45-K90 PolarHBondContact N-O 2.73Å; N45-K90 PolarHBondContact O-N 2.85Å |
| 91 | V | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.5 | -178.5 | -169.7 | 0 | 0 | 0 | 0 | 109.3 | T7 L8 F10 L34 V36 H42 L44 L93 F109 | T7-V91 CarbonylContact C-O 3.47Å; T7-V91 WeakPolarHBondContact CA-O 3.38Å; L8-V91 HydrophobicContact CB-CB 4.35Å; L8-V91 PolarHBondContact N-O 2.81Å; L8-V91 PolarHBondContact O-N 3.39Å; F10-V91 HydrophobicContact CD2-CG2 4.16Å; F10-V91 HydrophobicContact CE2-CG2 3.99Å; L34-V91 HydrophobicContact CD2-CG2 3.54Å; V36-V91 HydrophobicContact CG1-CG1 4.49Å; V36-V91 HydrophobicContact CG2-CG1 3.9Å; V36-V91 HydrophobicContact CG2-CG2 4.09Å; H42-V91 HydrophobicContact CB-CG1 4.43Å; L44-V91 HydrophobicContact CD1-CG2 3.77Å; V91-L93 HydrophobicContact CG1-CD2 3.73Å; V91-L93 HydrophobicContact CG1-CG 3.93Å; V91-F109 HydrophobicContact CG1-CE1 4.44Å |
| 92 | H | 90.3 | Very high | 86.9 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.1 | 166.9 | -57.3 | -75.1 | 0 | 0 | 0 | 108.8 | G6 T7 H42 R43 N45 I180 F182 | G6-H92 CarbonylContact O-C 3.53Å; G6-H92 WeakPolarHBondContact O-CA 3.17Å; T7-H92 PolarHBondContact OG1-ND1 3.4Å; H42-H92 CarbonylContact C-O 3.54Å; H42-H92 WeakPolarHBondContact CA-O 3.48Å; H42-H92 WeakPolarHBondContact CB-O 3.43Å; R43-H92 HydrophobicContact CB-CB 4.4Å; R43-H92 PolarHBondContact N-O 3.39Å; R43-H92 PolarHBondContact O-N 3.25Å; N45-H92 PolarHBondContact ND2-CD2 3.05Å; N45-H92 PolarHBondContact ND2-NE2 2.92Å; H92-I180 HydrophobicContact CB-CD1 4.39Å; H92-F182 HydrophobicContact CB-CE1 4.35Å; H92-F182 HydrophobicContact CB-CZ 4.35Å |
| 93 | L | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.4 | -177 | -62.1 | 167.7 | 0 | 0 | 0 | 109.3 | Q5 G6 L8 V36 V40 H42 V91 L95 L104 V107 F109 | Q5-L93 CarbonylContact C-O 3.46Å; Q5-L93 VanDerWaalsContact CA-O 3.31Å; Q5-L93 WeakPolarHBondContact CA-O 3.12Å; G6-L93 PolarHBondContact N-O 3.37Å; G6-L93 PolarHBondContact O-N 3.11Å; L8-L93 HydrophobicContact CD1-CD1 3.66Å; L8-L93 HydrophobicContact CG-CD1 4.11Å; V36-L93 HydrophobicContact CG1-CD2 4.14Å; V40-L93 HydrophobicContact CG1-CB 4.49Å; V40-L93 HydrophobicContact CG1-CD2 4.09Å; H42-L93 HydrophobicContact CB-CD2 3.7Å; V91-L93 HydrophobicContact CG1-CD2 3.73Å; V91-L93 HydrophobicContact CG1-CG 3.93Å; L93-L95 HydrophobicContact CB-CD1 4.04Å; L93-L95 HydrophobicContact CB-CD2 4.05Å; L93-L95 HydrophobicContact CB-CG 3.87Å; L93-L95 HydrophobicContact CD1-CD1 4.45Å; L93-L95 HydrophobicContact CD1-CD2 4.5Å; L93-L104 HydrophobicContact CD1-CD2 3.76Å; L93-V107 HydrophobicContact CD1-CG2 4.46Å; L93-F109 HydrophobicContact CD1-CZ 4.08Å |
| 94 | L | 89.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117.5 | 165.7 | -169.2 | 63.7 | 0 | 0 | 0 | 109.2 | E3 V40 P41 P178 F182 | E3-L94 HydrophobicContact CB-CD1 4.01Å; V40-L94 WeakPolarHBondContact CG1-O 3.41Å; P41-L94 HydrophobicContact CB-CB 4.11Å; P41-L94 HydrophobicContact CG-CB 4.46Å; P41-L94 PolarHBondContact O-N 2.85Å; L94-P178 HydrophobicContact CD1-CB 3.77Å; L94-P178 HydrophobicContact CD1-CG 3.7Å; L94-F182 HydrophobicContact CB-CD1 4.37Å; L94-F182 HydrophobicContact CB-CD2 3.74Å; L94-F182 HydrophobicContact CB-CE1 4.4Å; L94-F182 HydrophobicContact CB-CE2 3.79Å; L94-F182 HydrophobicContact CB-CG 4.05Å; L94-F182 HydrophobicContact CB-CZ 4.12Å; L94-F182 HydrophobicContact CD1-CD2 4.11Å; L94-F182 HydrophobicContact CD1-CE2 3.95Å; L94-F182 HydrophobicContact CD2-CB 4.49Å; L94-F182 HydrophobicContact CD2-CD2 3.92Å; L94-F182 HydrophobicContact CD2-CG 4.39Å; L94-F182 HydrophobicContact CG-CD2 4.15Å; L94-F182 HydrophobicContact CG-CE2 4.32Å |
| 95 | L | 86.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 156.2 | -169.6 | -58.8 | 165.4 | 0 | 0 | 0 | 110.8 | E3 V4 V40 L93 G97 L100 A103 L104 | E3-L95 WeakPolarHBondContact CA-O 3.47Å; V4-L95 PolarHBondContact N-O 2.92Å; V4-L95 PolarHBondContact O-N 3.07Å; V40-L95 HydrophobicContact CG1-CD2 4.04Å; L93-L95 HydrophobicContact CB-CD1 4.04Å; L93-L95 HydrophobicContact CB-CD2 4.05Å; L93-L95 HydrophobicContact CB-CG 3.87Å; L93-L95 HydrophobicContact CD1-CD1 4.45Å; L93-L95 HydrophobicContact CD1-CD2 4.5Å; L95-G97 PolarHBondContact O-N 3.45Å; L95-L100 HydrophobicContact CB-CD1 4.11Å; L95-L100 HydrophobicContact CD1-CD1 3.63Å; L95-A103 HydrophobicContact CD2-CB 4.12Å; L95-L104 HydrophobicContact CD1-CD1 4.4Å; L95-L104 HydrophobicContact CD1-CD2 3.49Å; L95-L104 VanDerWaalsContact CD1-CD2 3.49Å; L95-L104 HydrophobicContact CD1-CG 3.74Å; L95-L104 HydrophobicContact CD2-CD2 4.34Å |
| 96 | D | 84.9 | Confident | 86.5 | Confident | 48 Ų | 48 | 43.1 Ų | 43.1 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 116.2 | 169.2 | -174.3 | -5 | 0 | 0 | 0 | 109.5 | E98 R99 L100 | D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 2.87Å; D96-E98 PolarHBondContact OD1-N 3.4Å; D96-E98 VanDerWaalsContact OD1-N 3.09Å; D96-R99 HydrophobicContact CB-CB 4.5Å; D96-R99 CarbonylContact O-C 3.35Å; D96-R99 PolarHBondContact O-N 2.69Å; D96-L100 WeakPolarHBondContact O-CA 3.4Å; D96-L100 PolarHBondContact O-N 2.94Å; D96-L100 VanDerWaalsContact O-N 3.17Å |
| 97 | G | 78.4 | Confident | 86.8 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -67.4 | -23.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2 L95 R99 | S2-G97 WeakPolarHBondContact O-CA 3.44Å; S2-G97 PolarHBondContact O-N 3.37Å; L95-G97 PolarHBondContact O-N 3.45Å; G97-R99 VanDerWaalsContact C-N 3.31Å |
| 98 | E | 80.4 | Confident | 87.1 | Confident | 131 Ų | 131 | 45.3 Ų | 45.3 | 61% | 0.612 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -77.4 | -21.6 | 176.8 | -66.5 | 172.6 | -148.4 | 0 | 0 | 111.8 | M1 D96 | M1-E98 WeakPolarHBondContact CA-OE1 3.13Å; M1-E98 PolarHBondContact N-OE1 3.36Å; D96-E98 VanDerWaalsContact C-N 3.26Å; D96-E98 PolarHBondContact O-N 2.87Å; D96-E98 PolarHBondContact OD1-N 3.4Å; D96-E98 VanDerWaalsContact OD1-N 3.09Å |
| 99 | R | 83.7 | Confident | 87.5 | Confident | 122 Ų | 122 | 44.1 Ų | 44.1 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -131 | 40.4 | -174.9 | -65.3 | -176.8 | 61.4 | -142.7 | -8.2 | 112.7 | D96 G97 E101 E102 A103 E106 | D96-R99 HydrophobicContact CB-CB 4.5Å; D96-R99 CarbonylContact O-C 3.35Å; D96-R99 PolarHBondContact O-N 2.69Å; G97-R99 VanDerWaalsContact C-N 3.31Å; R99-E101 VanDerWaalsContact C-N 3.35Å; R99-E101 PolarHBondContact O-N 2.95Å; R99-E102 VanDerWaalsContact C-OE2 3.3Å; R99-E102 VanDerWaalsContact CA-OE2 3.26Å; R99-E102 WeakPolarHBondContact CA-OE2 3.18Å; R99-E102 WeakPolarHBondContact CB-OE2 3.29Å; R99-E102 PolarHBondContact O-N 3.25Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 3.23Å; R99-E106 IonicContact NH2-OE1 2.82Å |
| 100 | L | 80.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | -169.5 | 179 | 65.4 | 0 | 0 | 0 | 113 | L95 D96 L104 L175 | L95-L100 HydrophobicContact CB-CD1 4.11Å; L95-L100 HydrophobicContact CD1-CD1 3.63Å; D96-L100 WeakPolarHBondContact O-CA 3.4Å; D96-L100 PolarHBondContact O-N 2.94Å; D96-L100 VanDerWaalsContact O-N 3.17Å; L100-L104 HydrophobicContact CD1-CD1 3.94Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.35Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 3.2Å; L100-L175 HydrophobicContact CD1-CD2 3.93Å; L100-L175 HydrophobicContact CD2-CD1 3.64Å; L100-L175 HydrophobicContact CD2-CD2 3.89Å; L100-L175 HydrophobicContact CD2-CG 4.44Å |
| 101 | E | 81.4 | Confident | 88 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.9 | -42.7 | -176.5 | -75.5 | 180 | -147.7 | 0 | 0 | 112.1 | R99 S105 P144 R145 | R99-E101 VanDerWaalsContact C-N 3.35Å; R99-E101 PolarHBondContact O-N 2.95Å; E101-S105 WeakPolarHBondContact O-CB 3.28Å; E101-S105 PolarHBondContact O-N 3.48Å; E101-S105 VanDerWaalsContact O-N 3.11Å; E101-S105 PolarHBondContact O-OG 2.86Å; E101-P144 HydrophobicContact CG-CB 4.24Å; E101-R145 VanDerWaalsContact CD-NE 3.31Å; E101-R145 IonicContact OE1-CZ 3.11Å; E101-R145 IonicContact OE1-NE 3.36Å; E101-R145 PolarHBondContact OE1-NE 3.47Å; E101-R145 VanDerWaalsContact OE1-NE 3.12Å; E101-R145 IonicContact OE1-NH1 2.74Å; E101-R145 IonicContact OE1-NH2 2.9Å; E101-R145 PolarHBondContact OE1-NH2 2.82Å; E101-R145 IonicContact OE2-CZ 3.74Å; E101-R145 IonicContact OE2-NE 3.96Å; E101-R145 PolarHBondContact OE2-NE 2.82Å; E101-R145 IonicContact OE2-NH2 2.78Å; E101-R145 PolarHBondContact OE2-NH2 3.1Å |
| 102 | E | 86.3 | Confident | 88.2 | Confident | 95 Ų | 95 | 44.9 Ų | 44.9 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65 | -47.4 | 174.3 | -58.9 | 82.5 | -169 | 0 | 0 | 110.3 | R99 L104 S105 E106 | R99-E102 VanDerWaalsContact C-OE2 3.3Å; R99-E102 VanDerWaalsContact CA-OE2 3.26Å; R99-E102 WeakPolarHBondContact CA-OE2 3.18Å; R99-E102 WeakPolarHBondContact CB-OE2 3.29Å; R99-E102 PolarHBondContact O-N 3.25Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.14Å; E102-S105 PolarHBondContact O-N 2.74Å; E102-S105 VanDerWaalsContact O-N 3.09Å; E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 2.93Å |
| 103 | A | 85.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -43 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L95 R99 V107 | L95-A103 HydrophobicContact CD2-CB 4.12Å; R99-A103 WeakPolarHBondContact O-CB 3.46Å; R99-A103 PolarHBondContact O-N 3.23Å; A103-V107 WeakPolarHBondContact O-CG2 3.3Å |
| 104 | L | 85.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 175.6 | -80.4 | 171.3 | 0 | 0 | 0 | 112.9 | L8 L93 L95 L100 E102 E106 V107 P144 L172 | L8-L104 HydrophobicContact CD1-CD2 4.37Å; L93-L104 HydrophobicContact CD1-CD2 3.76Å; L95-L104 HydrophobicContact CD1-CD1 4.4Å; L95-L104 HydrophobicContact CD1-CD2 3.49Å; L95-L104 VanDerWaalsContact CD1-CD2 3.49Å; L95-L104 HydrophobicContact CD1-CG 3.74Å; L95-L104 HydrophobicContact CD2-CD2 4.34Å; L100-L104 HydrophobicContact CD1-CD1 3.94Å; L100-L104 HydrophobicContact CD1-CG 4.24Å; L100-L104 HydrophobicContact CG-CD1 4.07Å; L100-L104 WeakPolarHBondContact O-CB 3.35Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 3.2Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.14Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 3.12Å; L104-V107 PolarHBondContact O-N 3.4Å; L104-P144 HydrophobicContact CB-CB 4.34Å; L104-P144 HydrophobicContact CB-CG 3.72Å; L104-P144 HydrophobicContact CD1-CB 4.03Å; L104-P144 HydrophobicContact CD1-CG 4.34Å; L104-L172 HydrophobicContact CD1-CD2 4.05Å |
| 105 | S | 86.3 | Confident | 89.1 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.8 | -24.2 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | E101 E102 P144 | E101-S105 WeakPolarHBondContact O-CB 3.28Å; E101-S105 PolarHBondContact O-N 3.48Å; E101-S105 VanDerWaalsContact O-N 3.11Å; E101-S105 PolarHBondContact O-OG 2.86Å; E102-S105 PolarHBondContact O-N 2.74Å; E102-S105 VanDerWaalsContact O-N 3.09Å; S105-P144 WeakPolarHBondContact OG-CD 3.42Å; S105-P144 WeakPolarHBondContact OG-CG 3.02Å |
| 106 | E | 88 | Confident | 89.5 | Confident | 138 Ų | 138 | 44.4 Ų | 44.4 | 65% | 0.645 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.8 | 176.1 | -72.5 | 176.4 | -167.4 | 0 | 0 | 113.5 | R99 E102 L104 D108 | R99-E106 IonicContact NH2-OE1 2.82Å; E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 2.93Å; L104-E106 VanDerWaalsContact C-N 3.28Å; L104-E106 PolarHBondContact O-N 3.12Å; E106-D108 PolarHBondContact O-N 2.84Å |
| 107 | V | 91.9 | Very high | 90 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | trans | -74.4 | 119.7 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | V36 V40 L93 A103 L104 F109 | V36-V107 HydrophobicContact CG1-CG1 3.66Å; V40-V107 HydrophobicContact CB-CG2 4.36Å; V40-V107 HydrophobicContact CG1-CG2 4.45Å; V40-V107 HydrophobicContact CG2-CG2 3.85Å; L93-V107 HydrophobicContact CD1-CG2 4.46Å; A103-V107 WeakPolarHBondContact O-CG2 3.3Å; L104-V107 PolarHBondContact O-N 3.4Å; V107-F109 HydrophobicContact CB-CD2 4.35Å; V107-F109 HydrophobicContact CB-CE2 3.6Å; V107-F109 HydrophobicContact CB-CZ 3.73Å; V107-F109 HydrophobicContact CG1-CD1 4.21Å; V107-F109 HydrophobicContact CG1-CD2 4.05Å; V107-F109 HydrophobicContact CG1-CE1 3.63Å; V107-F109 HydrophobicContact CG1-CE2 3.48Å; V107-F109 VanDerWaalsContact CG1-CE2 3.48Å; V107-F109 HydrophobicContact CG1-CG 4.38Å; V107-F109 HydrophobicContact CG1-CZ 3.21Å; V107-F109 HydrophobicContact CG2-CZ 4.49Å; V107-F109 WeakPolarHBondContact O-CD2 3.41Å | ||
| 108 | D | 94.2 | Very high | 90.7 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | -83.5 | 117 | 172.3 | -171.2 | 20.8 | 0 | 0 | 0 | 110.1 | S37 E106 Q110 R139 | S37-D108 PolarHBondContact N-O 3.16Å; E106-D108 PolarHBondContact O-N 2.84Å; D108-Q110 PolarHBondContact OD2-NE2 3.17Å; D108-R139 IonicContact OD2-NH2 3.02Å | ||
| 109 | F | 96.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.3 | 173.9 | -61.3 | -80.1 | 0 | 0 | 0 | 109.4 | L8 F10 K35 V36 V91 L93 V107 L140 F142 | L8-F109 HydrophobicContact CD1-CE1 3.8Å; L8-F109 HydrophobicContact CD1-CE2 3.92Å; L8-F109 HydrophobicContact CD1-CZ 3.21Å; F10-F109 HydrophobicContact CE1-CB 4.4Å; F10-F109 HydrophobicContact CE1-CD1 4.48Å; F10-F109 HydrophobicContact CE1-CG 4.33Å; F10-F109 AromaticContact CE2-CD1 3.99Å; F10-F109 HydrophobicContact CE2-CD1 3.99Å; F10-F109 HydrophobicContact CE2-CE1 4.03Å; F10-F109 HydrophobicContact CZ-CB 4.24Å; F10-F109 AromaticContact CZ-CD1 3.57Å; F10-F109 HydrophobicContact CZ-CD1 3.57Å; F10-F109 HydrophobicContact CZ-CD2 4.11Å; F10-F109 AromaticContact CZ-CE1 3.9Å; F10-F109 HydrophobicContact CZ-CE1 3.9Å; F10-F109 HydrophobicContact CZ-CE2 4.38Å; F10-F109 AromaticContact CZ-CG 3.7Å; F10-F109 HydrophobicContact CZ-CG 3.7Å; F10-F109 HydrophobicContact CZ-CZ 4.29Å; K35-F109 WeakPolarHBondContact O-CA 3.31Å; V36-F109 HydrophobicContact CG1-CD1 4.25Å; V36-F109 HydrophobicContact CG1-CE1 3.96Å; V36-F109 HydrophobicContact CG2-CD1 3.95Å; V36-F109 HydrophobicContact CG2-CE1 4.1Å; V91-F109 HydrophobicContact CG1-CE1 4.44Å; L93-F109 HydrophobicContact CD1-CZ 4.08Å; V107-F109 HydrophobicContact CB-CD2 4.35Å; V107-F109 HydrophobicContact CB-CE2 3.6Å; V107-F109 HydrophobicContact CB-CZ 3.73Å; V107-F109 HydrophobicContact CG1-CD1 4.21Å; V107-F109 HydrophobicContact CG1-CD2 4.05Å; V107-F109 HydrophobicContact CG1-CE1 3.63Å; V107-F109 HydrophobicContact CG1-CE2 3.48Å; V107-F109 VanDerWaalsContact CG1-CE2 3.48Å; V107-F109 HydrophobicContact CG1-CG 4.38Å; V107-F109 HydrophobicContact CG1-CZ 3.21Å; V107-F109 HydrophobicContact CG2-CZ 4.49Å; V107-F109 WeakPolarHBondContact O-CD2 3.41Å; F109-L140 HydrophobicContact CB-CB 3.9Å; F109-L140 HydrophobicContact CB-CD1 4.5Å; F109-L140 PolarHBondContact O-N 3.04Å; F109-F142 HydrophobicContact CD2-CB 3.94Å; F109-F142 HydrophobicContact CE2-CB 3.97Å; F109-F142 HydrophobicContact CE2-CG 4.44Å |
| 110 | Q | 97.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126 | 179.3 | -61.1 | 179.6 | 18.5 | 0 | 0 | 110.6 | K35 D108 T137 L138 R139 | K35-Q110 HydrophobicContact CB-CB 4.32Å; K35-Q110 PolarHBondContact N-O 2.78Å; K35-Q110 PolarHBondContact O-N 3.47Å; D108-Q110 PolarHBondContact OD2-NE2 3.17Å; Q110-T137 HydrophobicContact CB-CG2 3.87Å; Q110-T137 HydrophobicContact CG-CG2 4.4Å; Q110-L138 CarbonylContact C-O 3.51Å; Q110-L138 VanDerWaalsContact CA-O 3.26Å; Q110-L138 WeakPolarHBondContact CA-O 3.27Å; Q110-R139 HydrophobicContact CG-CG 4.27Å |
| 111 | L | 97.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.6 | 170.8 | 177.8 | 63.3 | 0 | 0 | 0 | 108.9 | V12 A32 L113 T137 L138 L140 V168 | V12-L111 HydrophobicContact CG1-CD1 4.46Å; V12-L111 HydrophobicContact CG1-CD2 3.76Å; V12-L111 HydrophobicContact CG2-CD1 4.13Å; V12-L111 HydrophobicContact CG2-CD2 3.98Å; A32-L111 HydrophobicContact CB-CD1 4.27Å; L111-L113 HydrophobicContact CD1-CD2 4.4Å; L111-L113 HydrophobicContact CD2-CD2 4.36Å; L111-L113 HydrophobicContact CD2-CG 4.48Å; L111-L113 HydrophobicContact CG-CD2 4.24Å; L111-L113 HydrophobicContact CG-CG 4.27Å; L111-T137 CarbonylContact O-C 3.5Å; L111-T137 WeakPolarHBondContact O-CA 3.43Å; L111-L138 HydrophobicContact CB-CB 4.38Å; L111-L138 HydrophobicContact CD2-CD1 4.36Å; L111-L138 PolarHBondContact N-O 3.46Å; L111-L138 PolarHBondContact O-N 3.48Å; L111-L140 HydrophobicContact CB-CD1 4Å; L111-L140 HydrophobicContact CB-CD2 4.17Å; L111-L140 HydrophobicContact CB-CG 4.17Å; L111-V168 HydrophobicContact CD2-CG2 3.85Å |
| 112 | K | 97.4 | Very high | 92 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 19% | 0.187 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 130.5 | 171.4 | -165.8 | -172.7 | -172.7 | -135.5 | 0 | 109.2 | A32 A33 D114 S135 R136 | A32-K112 CarbonylContact C-O 3.49Å; A32-K112 VanDerWaalsContact CA-O 3.27Å; A32-K112 WeakPolarHBondContact CA-O 2.97Å; A33-K112 HydrophobicContact CB-CB 4.48Å; A33-K112 PolarHBondContact N-O 2.94Å; A33-K112 PolarHBondContact O-N 3.28Å; K112-D114 WeakPolarHBondContact CE-OD1 3.31Å; K112-D114 IonicContact NZ-OD1 3.95Å; K112-D114 PolarHBondContact NZ-OD1 2.96Å; K112-D114 IonicContact NZ-OD2 3.77Å; K112-D114 PolarHBondContact NZ-OD2 3.35Å; K112-S135 WeakPolarHBondContact CE-OG 3.42Å; K112-R136 CarbonylContact C-O 3.56Å; K112-R136 WeakPolarHBondContact CA-O 3.42Å |
| 113 | L | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 116.5 | 173.5 | -63.4 | 175.4 | 0 | 0 | 0 | 108.6 | L14 I30 R31 A32 L111 R136 L138 V154 F156 V166 | L14-L113 HydrophobicContact CD2-CD2 4.47Å; I30-L113 HydrophobicContact CG2-CD2 4.18Å; R31-L113 WeakPolarHBondContact O-CA 3.25Å; A32-L113 HydrophobicContact CB-CD2 3.74Å; L111-L113 HydrophobicContact CD1-CD2 4.4Å; L111-L113 HydrophobicContact CD2-CD2 4.36Å; L111-L113 HydrophobicContact CD2-CG 4.48Å; L111-L113 HydrophobicContact CG-CD2 4.24Å; L111-L113 HydrophobicContact CG-CG 4.27Å; L113-R136 PolarHBondContact N-O 2.8Å; L113-R136 PolarHBondContact O-N 3.24Å; L113-L138 HydrophobicContact CD1-CD1 4.42Å; L113-V154 HydrophobicContact CD1-CB 4.3Å; L113-V154 HydrophobicContact CD1-CG1 4.18Å; L113-V154 HydrophobicContact CD1-CG2 3.94Å; L113-F156 HydrophobicContact CB-CZ 4.48Å; L113-V166 HydrophobicContact CD1-CG2 3.86Å |
| 114 | D | 96.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.8 | -177.5 | -77.5 | -15.4 | 0 | 0 | 0 | 108.9 | I30 R31 K112 L132 S135 | I30-D114 CarbonylContact C-O 3.56Å; I30-D114 VanDerWaalsContact CA-O 3.31Å; I30-D114 WeakPolarHBondContact CA-O 3.49Å; R31-D114 HydrophobicContact CB-CB 4.2Å; R31-D114 PolarHBondContact N-O 2.81Å; R31-D114 PolarHBondContact O-N 2.96Å; K112-D114 WeakPolarHBondContact CE-OD1 3.31Å; K112-D114 IonicContact NZ-OD1 3.95Å; K112-D114 PolarHBondContact NZ-OD1 2.96Å; K112-D114 IonicContact NZ-OD2 3.77Å; K112-D114 PolarHBondContact NZ-OD2 3.35Å; D114-L132 HydrophobicContact CB-CD1 3.56Å; D114-S135 VanDerWaalsContact OD1-CB 3.24Å; D114-S135 WeakPolarHBondContact OD1-CB 3.08Å; D114-S135 PolarHBondContact OD1-OG 3.04Å |
| 115 | L | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.2 | 173.3 | -175.8 | 65.6 | 0 | 0 | 0 | 109 | F17 Y28 I30 L132 I133 S134 F156 H160 | F17-L115 HydrophobicContact CE2-CD1 3.93Å; F17-L115 HydrophobicContact CZ-CD1 4.18Å; F17-L115 HydrophobicContact CZ-CD2 4.43Å; Y28-L115 HydrophobicContact CD1-CD1 4.01Å; Y28-L115 HydrophobicContact CD1-CD2 4.46Å; Y28-L115 HydrophobicContact CD1-CG 4.27Å; I30-L115 HydrophobicContact CG1-CD1 4.2Å; L115-L132 WeakPolarHBondContact O-CD1 3.45Å; L115-I133 HydrophobicContact CB-CG1 4.29Å; L115-I133 HydrophobicContact CD2-CD1 3.8Å; L115-I133 HydrophobicContact CD2-CG1 4.26Å; L115-I133 HydrophobicContact CG-CD1 3.89Å; L115-I133 HydrophobicContact CG-CG1 4Å; L115-I133 WeakPolarHBondContact O-CG1 3.45Å; L115-I133 PolarHBondContact O-N 3.34Å; L115-S134 PolarHBondContact N-O 2.81Å; L115-S134 PolarHBondContact O-N 2.88Å; L115-F156 HydrophobicContact CB-CD1 3.74Å; L115-F156 HydrophobicContact CB-CD2 4.46Å; L115-F156 HydrophobicContact CB-CE1 3.71Å; L115-F156 HydrophobicContact CB-CE2 4.42Å; L115-F156 HydrophobicContact CB-CG 4.13Å; L115-F156 HydrophobicContact CB-CZ 4.06Å; L115-F156 HydrophobicContact CD1-CE2 4.49Å; L115-F156 HydrophobicContact CD2-CB 4.13Å; L115-F156 HydrophobicContact CD2-CD1 4.36Å; L115-F156 HydrophobicContact CD2-CD2 4.04Å; L115-F156 HydrophobicContact CD2-CG 3.91Å; L115-H160 HydrophobicContact CD2-CB 4.47Å |
| 116 | H | 94.9 | Very high | 91 | Very high | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 149.6 | 178.7 | -72.6 | -104 | 0 | 0 | 0 | 110.3 | Y28 Q29 R31 V130 P131 L132 | Y28-H116 WeakPolarHBondContact CA-O 3.1Å; Q29-H116 HydrophobicContact CB-CB 4.4Å; Q29-H116 PolarHBondContact N-O 3.2Å; Q29-H116 VanDerWaalsContact N-O 3.1Å; Q29-H116 PolarHBondContact O-N 3.41Å; R31-H116 WeakPolarHBondContact CD-NE2 3.5Å; R31-H116 PolarHBondContact NH1-CE1 3.17Å; R31-H116 VanDerWaalsContact NH1-CE1 3.34Å; R31-H116 PolarHBondContact NH2-ND1 3.12Å; H116-V130 HydrophobicContact CB-CG1 3.88Å; H116-V130 PolarHBondContact ND1-O 3.46Å; H116-P131 VanDerWaalsContact CA-O 3.27Å; H116-P131 WeakPolarHBondContact CA-O 3.09Å; H116-P131 PolarHBondContact ND1-O 3.08Å; H116-L132 PolarHBondContact ND1-N 2.84Å |
| 117 | F | 94.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.1 | -178.5 | 169.8 | -98.7 | 0 | 0 | 0 | 112.5 | Q24 F27 Y28 D119 V130 P131 I133 | Q24-F117 HydrophobicContact CB-CE1 3.96Å; Q24-F117 HydrophobicContact CB-CE2 3.97Å; Q24-F117 HydrophobicContact CB-CZ 3.53Å; Q24-F117 HydrophobicContact CG-CE1 4.48Å; Q24-F117 HydrophobicContact CG-CZ 4.48Å; F27-F117 WeakPolarHBondContact O-CA 3.43Å; F27-F117 WeakPolarHBondContact O-CD2 3.31Å; Y28-F117 HydrophobicContact CD1-CB 4.1Å; Y28-F117 AromaticContact CD1-CD2 3.99Å; Y28-F117 HydrophobicContact CD1-CD2 3.99Å; Y28-F117 AromaticContact CD2-CD2 4Å; Y28-F117 HydrophobicContact CD2-CD2 4Å; Y28-F117 HydrophobicContact CD2-CE2 4.48Å; Y28-F117 HydrophobicContact CE1-CB 3.89Å; Y28-F117 AromaticContact CE1-CD2 3.49Å; Y28-F117 HydrophobicContact CE1-CD2 3.49Å; Y28-F117 VanDerWaalsContact CE1-CD2 3.49Å; Y28-F117 HydrophobicContact CE1-CE2 4.39Å; Y28-F117 HydrophobicContact CE1-CG 4.01Å; Y28-F117 AromaticContact CE2-CD2 3.5Å; Y28-F117 HydrophobicContact CE2-CD2 3.5Å; Y28-F117 VanDerWaalsContact CE2-CD2 3.5Å; Y28-F117 AromaticContact CE2-CE2 3.73Å; Y28-F117 HydrophobicContact CE2-CE2 3.73Å; Y28-F117 HydrophobicContact CG-CD2 4.23Å; Y28-F117 AromaticContact CZ-CD2 3.21Å; Y28-F117 AromaticContact CZ-CE2 3.68Å; Y28-F117 WeakPolarHBondContact OH-CD2 3.32Å; F117-D119 HydrophobicContact CE1-CB 4.37Å; F117-D119 HydrophobicContact CZ-CB 3.93Å; F117-V130 VanDerWaalsContact C-CG1 3.48Å; F117-V130 WeakPolarHBondContact O-CG1 3.24Å; F117-P131 PolarHBondContact N-O 2.99Å; F117-P131 VanDerWaalsContact N-O 3.14Å; F117-P131 VanDerWaalsContact O-CD 3.24Å; F117-P131 WeakPolarHBondContact O-CD 3.48Å; F117-P131 VanDerWaalsContact O-CG 3.23Å; F117-P131 WeakPolarHBondContact O-CG 3.28Å; F117-I133 HydrophobicContact CB-CD1 3.55Å; F117-I133 HydrophobicContact CB-CG1 4.02Å; F117-I133 HydrophobicContact CB-CG2 3.91Å; F117-I133 HydrophobicContact CG-CD1 4.47Å |
| 118 | T | 93.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.5 | 162.4 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | F27 N120 Q123 L124 V130 | F27-T118 HydrophobicContact CB-CG2 4.26Å; F27-T118 PolarHBondContact N-O 3.48Å; F27-T118 PolarHBondContact O-N 2.86Å; T118-N120 PolarHBondContact OG1-N 3.34Å; T118-N120 PolarHBondContact OG1-O 3.11Å; T118-Q123 PolarHBondContact OG1-OE1 2.75Å; T118-L124 HydrophobicContact CG2-CD2 3.44Å; T118-L124 VanDerWaalsContact CG2-CD2 3.44Å; T118-L124 HydrophobicContact CG2-CG 4.17Å; T118-V130 HydrophobicContact CG2-CG1 3.98Å; T118-V130 HydrophobicContact CG2-CG2 3.99Å |
| 119 | D | 92.9 | Very high | 89.7 | Confident | 123 Ų | 123 | 50.6 Ų | 50.6 | 66% | 0.658 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -97.2 | -3.2 | 168 | 60.5 | -12.1 | 0 | 0 | 0 | 112.6 | F117 | F117-D119 HydrophobicContact CE1-CB 4.37Å; F117-D119 HydrophobicContact CZ-CB 3.93Å |
| 120 | N | 90.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | trans | -102.8 | 110.7 | -177.7 | -173.7 | -6.1 | 0 | 0 | 0 | 111.5 | T118 Q122 Q123 | T118-N120 PolarHBondContact OG1-N 3.34Å; T118-N120 PolarHBondContact OG1-O 3.11Å; N120-Q122 PolarHBondContact O-N 3.4Å; N120-Q122 VanDerWaalsContact O-N 3.17Å; N120-Q122 VanDerWaalsContact OD1-CB 3.28Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.27Å; N120-Q122 PolarHBondContact OD1-N 2.75Å; N120-Q122 PolarHBondContact OD1-OE1 3.48Å; N120-Q123 HydrophobicContact CB-CB 4.49Å; N120-Q123 HydrophobicContact CB-CG 4.08Å; N120-Q123 PolarHBondContact O-N 2.92Å; N120-Q123 VanDerWaalsContact O-N 3.08Å | ||
| 121 | E | 85.3 | Confident | 89.2 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -57.2 | -30.4 | 176.6 | -69.6 | -175.5 | 176.2 | 0 | 0 | 113.5 | F27 Q123 L124 | F27-E121 HydrophobicContact CD2-CG 4.5Å; F27-E121 HydrophobicContact CE2-CG 3.44Å; F27-E121 VanDerWaalsContact CE2-CG 3.44Å; F27-E121 HydrophobicContact CZ-CG 3.65Å; E121-Q123 VanDerWaalsContact C-N 3.29Å; E121-Q123 PolarHBondContact O-N 2.81Å; E121-L124 VanDerWaalsContact O-CB 3.26Å; E121-L124 WeakPolarHBondContact O-CB 3.06Å; E121-L124 PolarHBondContact O-N 2.96Å; E121-L124 VanDerWaalsContact O-N 3.11Å |
| 122 | Q | 83.4 | Confident | 89 | Confident | 155 Ų | 155 | 55.4 Ų | 55.4 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.6 | -31.6 | 179.9 | -61.5 | 160.1 | -12.1 | 0 | 0 | 111.7 | N120 L124 A125 | N120-Q122 PolarHBondContact O-N 3.4Å; N120-Q122 VanDerWaalsContact O-N 3.17Å; N120-Q122 VanDerWaalsContact OD1-CB 3.28Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.27Å; N120-Q122 PolarHBondContact OD1-N 2.75Å; N120-Q122 PolarHBondContact OD1-OE1 3.48Å; Q122-L124 PolarHBondContact O-N 3.38Å; Q122-A125 WeakPolarHBondContact O-CB 3.47Å; Q122-A125 PolarHBondContact O-N 3.4Å |
| 123 | Q | 83.1 | Confident | 88.8 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -70.6 | -16.4 | 175.9 | -68 | -173.2 | -51.2 | 0 | 0 | 112.6 | T118 N120 E121 A125 E126 | T118-Q123 PolarHBondContact OG1-OE1 2.75Å; N120-Q123 HydrophobicContact CB-CB 4.49Å; N120-Q123 HydrophobicContact CB-CG 4.08Å; N120-Q123 PolarHBondContact O-N 2.92Å; N120-Q123 VanDerWaalsContact O-N 3.08Å; E121-Q123 VanDerWaalsContact C-N 3.29Å; E121-Q123 PolarHBondContact O-N 2.81Å; Q123-A125 PolarHBondContact O-N 2.74Å; Q123-E126 CarbonylContact O-C 3.58Å; Q123-E126 PolarHBondContact O-N 2.81Å |
| 124 | L | 80.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -73.4 | -13.8 | 175.4 | -54.6 | 174.6 | 0 | 0 | 0 | 112.2 | F27 F57 I71 T118 E121 Q122 E126 I127 | F27-L124 HydrophobicContact CB-CD1 4.06Å; F27-L124 HydrophobicContact CB-CD2 3.99Å; F27-L124 HydrophobicContact CD1-CD1 3.79Å; F27-L124 HydrophobicContact CD2-CD1 3.66Å; F27-L124 HydrophobicContact CE1-CD1 4.1Å; F27-L124 HydrophobicContact CE2-CD1 3.99Å; F27-L124 HydrophobicContact CG-CD1 3.55Å; F27-L124 HydrophobicContact CG-CD2 4.38Å; F27-L124 HydrophobicContact CZ-CD1 4.18Å; F57-L124 HydrophobicContact CE1-CB 4.41Å; F57-L124 HydrophobicContact CE1-CD1 3.35Å; F57-L124 HydrophobicContact CE1-CG 4.45Å; F57-L124 HydrophobicContact CE2-CB 4.07Å; F57-L124 HydrophobicContact CE2-CD1 4.39Å; F57-L124 HydrophobicContact CZ-CB 3.73Å; F57-L124 HydrophobicContact CZ-CD1 3.29Å; F57-L124 HydrophobicContact CZ-CG 4.13Å; I71-L124 HydrophobicContact CD1-CB 4.48Å; I71-L124 HydrophobicContact CD1-CD2 4.02Å; I71-L124 HydrophobicContact CG2-CD2 4.29Å; T118-L124 HydrophobicContact CG2-CD2 3.44Å; T118-L124 VanDerWaalsContact CG2-CD2 3.44Å; T118-L124 HydrophobicContact CG2-CG 4.17Å; E121-L124 VanDerWaalsContact O-CB 3.26Å; E121-L124 WeakPolarHBondContact O-CB 3.06Å; E121-L124 PolarHBondContact O-N 2.96Å; E121-L124 VanDerWaalsContact O-N 3.11Å; Q122-L124 PolarHBondContact O-N 3.38Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-I127 WeakPolarHBondContact O-CG1 3.33Å |
| 125 | A | 77.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 74% | 0.744 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -71.8 | -26.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q122 Q123 | Q122-A125 WeakPolarHBondContact O-CB 3.47Å; Q122-A125 PolarHBondContact O-N 3.4Å; Q123-A125 PolarHBondContact O-N 2.74Å |
| 126 | E | 82.3 | Confident | 88.8 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -118.3 | 57.3 | 178.7 | -68.1 | -176.7 | -166.3 | 0 | 0 | 110.4 | Q123 L124 V128 T129 | Q123-E126 CarbonylContact O-C 3.58Å; Q123-E126 PolarHBondContact O-N 2.81Å; L124-E126 VanDerWaalsContact C-N 3.29Å; E126-V128 PolarHBondContact O-N 2.92Å; E126-T129 HydrophobicContact CB-CG2 4.04Å; E126-T129 WeakPolarHBondContact O-CB 3.41Å; E126-T129 PolarHBondContact O-N 3.38Å; E126-T129 PolarHBondContact O-OG1 3.1Å |
| 127 | I | 80.1 | Confident | 88.9 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -46.3 | -37.7 | -171.6 | -60.3 | 177.2 | 0 | 0 | 0 | 112.7 | Q29 R31 C55 F68 I71 L124 T129 V130 | Q29-I127 VanDerWaalsContact NE2-CG2 3.33Å; Q29-I127 VanDerWaalsContact OE1-CG2 3.23Å; R31-I127 PolarHBondContact NH2-O 2.85Å; C55-I127 HydrophobicContact CB-CD1 3.72Å; C55-I127 WeakPolarHBondContact O-CD1 3.3Å; F68-I127 HydrophobicContact CD1-CG2 3.95Å; F68-I127 HydrophobicContact CE1-CG2 4.26Å; I71-I127 HydrophobicContact CD1-CD1 3.6Å; I71-I127 HydrophobicContact CD1-CG1 3.95Å; L124-I127 WeakPolarHBondContact O-CG1 3.33Å; I127-T129 PolarHBondContact O-N 3.17Å; I127-V130 WeakPolarHBondContact O-CB 3.41Å; I127-V130 VanDerWaalsContact O-CG2 3.27Å; I127-V130 WeakPolarHBondContact O-CG2 3.23Å; I127-V130 PolarHBondContact O-N 2.94Å; I127-V130 VanDerWaalsContact O-N 3.16Å |
| 128 | V | 82.8 | Confident | 89 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -54.6 | -35.5 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | R31 Y63 E126 V130 | R31-V128 PolarHBondContact NH1-O 3.21Å; R31-V128 VanDerWaalsContact NH1-O 3.08Å; R31-V128 PolarHBondContact NH2-O 3.07Å; Y63-V128 HydrophobicContact CD1-CG1 4.07Å; Y63-V128 HydrophobicContact CD1-CG2 4Å; Y63-V128 HydrophobicContact CD2-CG2 3.9Å; Y63-V128 HydrophobicContact CE1-CB 4.35Å; Y63-V128 HydrophobicContact CE1-CG1 3.41Å; Y63-V128 VanDerWaalsContact CE1-CG1 3.41Å; Y63-V128 HydrophobicContact CE1-CG2 3.92Å; Y63-V128 HydrophobicContact CE2-CG1 4.48Å; Y63-V128 HydrophobicContact CE2-CG2 3.83Å; Y63-V128 HydrophobicContact CG-CG2 3.98Å; E126-V128 PolarHBondContact O-N 2.92Å; V128-V130 VanDerWaalsContact C-N 3.34Å; V128-V130 PolarHBondContact O-N 3.49Å |
| 129 | T | 84.8 | Confident | 89.1 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -78.9 | -13.2 | -175.3 | 69.7 | 0 | 0 | 0 | 0 | 114.2 | E126 I127 | E126-T129 HydrophobicContact CB-CG2 4.04Å; E126-T129 WeakPolarHBondContact O-CB 3.41Å; E126-T129 PolarHBondContact O-N 3.38Å; E126-T129 PolarHBondContact O-OG1 3.1Å; I127-T129 PolarHBondContact O-N 3.17Å |
| 130 | V | 88.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -57.1 | 127.4 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | R31 H116 F117 T118 I127 V128 | R31-V130 PolarHBondContact NH2-O 3.32Å; H116-V130 HydrophobicContact CB-CG1 3.88Å; H116-V130 PolarHBondContact ND1-O 3.46Å; F117-V130 VanDerWaalsContact C-CG1 3.48Å; F117-V130 WeakPolarHBondContact O-CG1 3.24Å; T118-V130 HydrophobicContact CG2-CG1 3.98Å; T118-V130 HydrophobicContact CG2-CG2 3.99Å; I127-V130 WeakPolarHBondContact O-CB 3.41Å; I127-V130 VanDerWaalsContact O-CG2 3.27Å; I127-V130 WeakPolarHBondContact O-CG2 3.23Å; I127-V130 PolarHBondContact O-N 2.94Å; I127-V130 VanDerWaalsContact O-N 3.16Å; V128-V130 VanDerWaalsContact C-N 3.34Å; V128-V130 PolarHBondContact O-N 3.49Å |
| 131 | P | 92.3 | Very high | 89.2 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -69 | 145.1 | -172.1 | 26.1 | -34 | 0 | 0 | 0 | 112.7 | H116 F117 | H116-P131 VanDerWaalsContact CA-O 3.27Å; H116-P131 WeakPolarHBondContact CA-O 3.09Å; H116-P131 PolarHBondContact ND1-O 3.08Å; F117-P131 PolarHBondContact N-O 2.99Å; F117-P131 VanDerWaalsContact N-O 3.14Å; F117-P131 VanDerWaalsContact O-CD 3.24Å; F117-P131 WeakPolarHBondContact O-CD 3.48Å; F117-P131 VanDerWaalsContact O-CG 3.23Å; F117-P131 WeakPolarHBondContact O-CG 3.28Å |
| 132 | L | 93.9 | Very high | 89.4 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.5 | 171.5 | 174.3 | 63 | 0 | 0 | 0 | 109.7 | D114 L115 H116 S134 | D114-L132 HydrophobicContact CB-CD1 3.56Å; L115-L132 WeakPolarHBondContact O-CD1 3.45Å; H116-L132 PolarHBondContact ND1-N 2.84Å; L132-S134 WeakPolarHBondContact CD1-O 3.16Å |
| 133 | I | 94.3 | Very high | 89.3 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -27.2 | 179.4 | 57 | 158.3 | 0 | 0 | 0 | 113.6 | Y28 L115 F117 H160 | Y28-I133 HydrophobicContact CD1-CD1 4.26Å; Y28-I133 HydrophobicContact CE1-CD1 3.77Å; L115-I133 HydrophobicContact CB-CG1 4.29Å; L115-I133 HydrophobicContact CD2-CD1 3.8Å; L115-I133 HydrophobicContact CD2-CG1 4.26Å; L115-I133 HydrophobicContact CG-CD1 3.89Å; L115-I133 HydrophobicContact CG-CG1 4Å; L115-I133 WeakPolarHBondContact O-CG1 3.45Å; L115-I133 PolarHBondContact O-N 3.34Å; F117-I133 HydrophobicContact CB-CD1 3.55Å; F117-I133 HydrophobicContact CB-CG1 4.02Å; F117-I133 HydrophobicContact CB-CG2 3.91Å; F117-I133 HydrophobicContact CG-CD1 4.47Å; I133-H160 PolarHBondContact O-CE1 3.18Å; I133-H160 PolarHBondContact O-ND1 3.14Å |
| 134 | S | 95.6 | Very high | 88.9 | Confident | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 150 | 174 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | L115 L132 D157 | L115-S134 PolarHBondContact N-O 2.81Å; L115-S134 PolarHBondContact O-N 2.88Å; L132-S134 WeakPolarHBondContact CD1-O 3.16Å; S134-D157 PolarHBondContact OG-N 3.37Å |
| 135 | S | 96.1 | Very high | 88.7 | Confident | 42 Ų | 42 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.8 | -178.3 | 163.3 | 0 | 0 | 0 | 0 | 110 | K112 D114 | K112-S135 WeakPolarHBondContact CE-OG 3.42Å; D114-S135 VanDerWaalsContact OD1-CB 3.24Å; D114-S135 WeakPolarHBondContact OD1-CB 3.08Å; D114-S135 PolarHBondContact OD1-OG 3.04Å |
| 136 | R | 97.1 | Very high | 88.6 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 139.4 | 171.9 | -71.4 | -59.1 | -166 | -144.9 | -2 | 110.7 | K112 L113 V154 M155 F156 D157 | K112-R136 CarbonylContact C-O 3.56Å; K112-R136 WeakPolarHBondContact CA-O 3.42Å; L113-R136 PolarHBondContact N-O 2.8Å; L113-R136 PolarHBondContact O-N 3.24Å; R136-V154 HydrophobicContact CB-CG1 3.73Å; R136-V154 HydrophobicContact CG-CG1 3.89Å; R136-M155 PolarHBondContact NE-O 3.44Å; R136-M155 PolarHBondContact NH2-O 3.04Å; R136-F156 HydrophobicContact CG-CD1 4.12Å; R136-F156 HydrophobicContact CG-CE1 4.39Å; R136-D157 IonicContact CZ-OD1 3.12Å; R136-D157 IonicContact NH1-OD1 2.7Å; R136-D157 PolarHBondContact NH1-OD1 3.23Å; R136-D157 IonicContact NH1-OD2 2.89Å; R136-D157 IonicContact NH2-OD1 2.74Å; R136-D157 PolarHBondContact NH2-OD1 3.04Å |
| 137 | T | 96.9 | Very high | 88.7 | Confident | 72 Ų | 72 | 66.1 Ų | 66.1 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.5 | 176.9 | -55 | 0 | 0 | 0 | 0 | 109 | Q110 L111 | Q110-T137 HydrophobicContact CB-CG2 3.87Å; Q110-T137 HydrophobicContact CG-CG2 4.4Å; L111-T137 CarbonylContact O-C 3.5Å; L111-T137 WeakPolarHBondContact O-CA 3.43Å |
| 138 | L | 96.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.1 | 175.3 | -53.6 | -179.7 | 0 | 0 | 0 | 109.4 | Q110 L111 L113 L140 V152 V154 | Q110-L138 CarbonylContact C-O 3.51Å; Q110-L138 VanDerWaalsContact CA-O 3.26Å; Q110-L138 WeakPolarHBondContact CA-O 3.27Å; L111-L138 HydrophobicContact CB-CB 4.38Å; L111-L138 HydrophobicContact CD2-CD1 4.36Å; L111-L138 PolarHBondContact N-O 3.46Å; L111-L138 PolarHBondContact O-N 3.48Å; L113-L138 HydrophobicContact CD1-CD1 4.42Å; L138-L140 HydrophobicContact CB-CD2 4.39Å; L138-V152 HydrophobicContact CD1-CG1 4.05Å; L138-V154 HydrophobicContact CD1-CG2 3.79Å; L138-V154 HydrophobicContact CD2-CG2 4.22Å; L138-V154 HydrophobicContact CG-CG2 4.46Å |
| 139 | R | 96.3 | Very high | 89.1 | Confident | 165 Ų | 165 | 68.3 Ų | 68.3 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.7 | 167.7 | -80.4 | -178.5 | 153.6 | 170.2 | -3.4 | 109.7 | D108 Q110 | D108-R139 IonicContact OD2-NH2 3.02Å; Q110-R139 HydrophobicContact CG-CG 4.27Å |
| 140 | L | 94.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 110.6 | -177.9 | -57.3 | -173.5 | 0 | 0 | 0 | 109.5 | F10 L34 F109 L111 L138 F142 L148 V168 | F10-L140 HydrophobicContact CD1-CD1 3.78Å; F10-L140 HydrophobicContact CE1-CD1 3.75Å; L34-L140 HydrophobicContact CD1-CD1 3.8Å; F109-L140 HydrophobicContact CB-CB 3.9Å; F109-L140 HydrophobicContact CB-CD1 4.5Å; F109-L140 PolarHBondContact O-N 3.04Å; L111-L140 HydrophobicContact CB-CD1 4Å; L111-L140 HydrophobicContact CB-CD2 4.17Å; L111-L140 HydrophobicContact CB-CG 4.17Å; L138-L140 HydrophobicContact CB-CD2 4.39Å; L140-F142 PolarHBondContact O-N 3.11Å; L140-L148 HydrophobicContact CB-CD2 3.8Å; L140-L148 HydrophobicContact CD1-CD2 4.32Å; L140-L148 HydrophobicContact CD2-CD2 4.19Å; L140-L148 HydrophobicContact CG-CD2 4.33Å; L140-V168 HydrophobicContact CD1-CG1 4.15Å; L140-V168 HydrophobicContact CD2-CG1 4.22Å; L140-V168 HydrophobicContact CD2-CG2 4.38Å |
| 141 | H | 90.9 | Very high | 89.1 | Confident | 146 Ų | 146 | 75 Ų | 75 | 68% | 0.676 | 35% | 0.349 | S | S | * | . | trans | -87.9 | 82 | -179.4 | -66.3 | -67.9 | 0 | 0 | 0 | 111.1 | L148 | H141-L148 WeakPolarHBondContact O-CD1 3.45Š| ||
| 142 | F | 88.4 | Confident | 88.9 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.066 | 34% | 0.343 | C | S | . | . | trans | -72.3 | 129.7 | 179.1 | -178.6 | -99 | 0 | 0 | 0 | 111.9 | L8 F109 L140 L148 A170 L172 | L8-F142 HydrophobicContact CD1-CD1 4.32Å; L8-F142 HydrophobicContact CD1-CE1 4.28Å; L8-F142 HydrophobicContact CD2-CD1 4.36Å; L8-F142 HydrophobicContact CD2-CE1 3.55Å; L8-F142 HydrophobicContact CD2-CE2 3.9Å; L8-F142 HydrophobicContact CD2-CZ 3.3Å; F109-F142 HydrophobicContact CD2-CB 3.94Å; F109-F142 HydrophobicContact CE2-CB 3.97Å; F109-F142 HydrophobicContact CE2-CG 4.44Å; L140-F142 PolarHBondContact O-N 3.11Å; F142-L148 HydrophobicContact CD2-CB 4.33Å; F142-A170 HydrophobicContact CD2-CB 3.98Å; F142-A170 HydrophobicContact CE2-CB 4.2Å; F142-L172 HydrophobicContact CZ-CB 4.25Å | ||
| 143 | H | 81.7 | Confident | 88.9 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 39% | 0.389 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -106.6 | 125.8 | 173.5 | -169.6 | -41.9 | 0 | 0 | 0 | 110.4 | R145 R146 G147 | H143-R145 VanDerWaalsContact C-N 3.33Å; H143-R145 PolarHBondContact ND1-N 2.83Å; H143-R145 PolarHBondContact O-N 2.76Å; H143-R145 VanDerWaalsContact O-N 3.14Å; H143-R146 HydrophobicContact CB-CB 4.16Å; H143-R146 PolarHBondContact O-N 2.84Å; H143-G147 PolarHBondContact N-O 2.9Å; H143-G147 VanDerWaalsContact O-CA 3.31Å; H143-G147 WeakPolarHBondContact O-CA 3.2Å; H143-G147 PolarHBondContact O-N 2.88Å |
| 144 | P | 75.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 73 Ų | 73 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -41 | -173.1 | -28.7 | 33.2 | 0 | 0 | 0 | 115.8 | E101 L104 S105 | E101-P144 HydrophobicContact CG-CB 4.24Å; L104-P144 HydrophobicContact CB-CB 4.34Å; L104-P144 HydrophobicContact CB-CG 3.72Å; L104-P144 HydrophobicContact CD1-CB 4.03Å; L104-P144 HydrophobicContact CD1-CG 4.34Å; S105-P144 WeakPolarHBondContact OG-CD 3.42Å; S105-P144 WeakPolarHBondContact OG-CG 3.02Å |
| 145 | R | 75.4 | Confident | 88.9 | Confident | 136 Ų | 136 | 77.2 Ų | 77.2 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -30.9 | -178.4 | -60.4 | -179.6 | -174.7 | -115 | 8.3 | 114.5 | E101 H143 M234 | E101-R145 VanDerWaalsContact CD-NE 3.31Å; E101-R145 IonicContact OE1-CZ 3.11Å; E101-R145 IonicContact OE1-NE 3.36Å; E101-R145 PolarHBondContact OE1-NE 3.47Å; E101-R145 VanDerWaalsContact OE1-NE 3.12Å; E101-R145 IonicContact OE1-NH1 2.74Å; E101-R145 IonicContact OE1-NH2 2.9Å; E101-R145 PolarHBondContact OE1-NH2 2.82Å; E101-R145 IonicContact OE2-CZ 3.74Å; E101-R145 IonicContact OE2-NE 3.96Å; E101-R145 PolarHBondContact OE2-NE 2.82Å; E101-R145 IonicContact OE2-NH2 2.78Å; E101-R145 PolarHBondContact OE2-NH2 3.1Å; H143-R145 VanDerWaalsContact C-N 3.33Å; H143-R145 PolarHBondContact ND1-N 2.83Å; H143-R145 PolarHBondContact O-N 2.76Å; H143-R145 VanDerWaalsContact O-N 3.14Å; R145-M234 HydrophobicContact CG-CE 4.47Å |
| 146 | R | 76.3 | Confident | 88.7 | Confident | 213 Ų | 213 | 75.2 Ų | 75.2 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -14.1 | -173.1 | -64.1 | -177.7 | 179.2 | 178.7 | 1.3 | 113.2 | H143 | H143-R146 HydrophobicContact CB-CB 4.16Å; H143-R146 PolarHBondContact O-N 2.84Å |
| 147 | G | 84.4 | Confident | 88.1 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | 68.3 | -149.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H143 A170 | H143-G147 PolarHBondContact N-O 2.9Å; H143-G147 VanDerWaalsContact O-CA 3.31Å; H143-G147 WeakPolarHBondContact O-CA 3.2Å; H143-G147 PolarHBondContact O-N 2.88Å; G147-A170 CarbonylContact C-O 3.56Å; G147-A170 WeakPolarHBondContact CA-O 3.44Å |
| 148 | L | 84.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 80.2 Ų | 80.2 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.3 | 175.9 | -178.7 | 63.1 | 0 | 0 | 0 | 108.4 | F10 L140 H141 F142 H150 V168 H169 A170 | F10-L148 HydrophobicContact CE1-CD2 4.34Å; L140-L148 HydrophobicContact CB-CD2 3.8Å; L140-L148 HydrophobicContact CD1-CD2 4.32Å; L140-L148 HydrophobicContact CD2-CD2 4.19Å; L140-L148 HydrophobicContact CG-CD2 4.33Å; H141-L148 WeakPolarHBondContact O-CD1 3.45Å; F142-L148 HydrophobicContact CD2-CB 4.33Å; L148-H150 WeakPolarHBondContact CD1-CD2 3.17Å; L148-V168 HydrophobicContact CD2-CG1 3.83Å; L148-H169 CarbonylContact O-C 3.52Å; L148-H169 VanDerWaalsContact O-CA 3.25Å; L148-H169 WeakPolarHBondContact O-CA 3.31Å; L148-A170 HydrophobicContact CB-CB 3.76Å; L148-A170 HydrophobicContact CD2-CB 4.31Å; L148-A170 PolarHBondContact N-O 2.84Å; L148-A170 PolarHBondContact O-N 2.94Å |
| 149 | H | 87.3 | Confident | 86.1 | Confident | 111 Ų | 111 | 85.5 Ų | 85.5 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 109.2 | 168.1 | 176.2 | -131.6 | 0 | 0 | 0 | 109.7 | V168 H169 | H149-V168 VanDerWaalsContact CA-O 3.31Å; H149-V168 WeakPolarHBondContact CA-O 3.42Å; H149-H169 AromaticContact CD2-CE1 2.92Å; H149-H169 PolarHBondContact CD2-CE1 3.3Å; H149-H169 AromaticContact CD2-CG 3.82Å; H149-H169 AromaticContact CD2-ND1 3.11Å; H149-H169 PolarHBondContact CD2-ND1 2.78Å; H149-H169 AromaticContact CD2-NE2 3.5Å; H149-H169 AromaticContact CG-CE1 3.94Å; H149-H169 AromaticContact CG-ND1 3.85Å; H149-H169 AromaticContact NE2-CE1 3.05Å; H149-H169 PolarHBondContact NE2-CE1 3.19Å; H149-H169 AromaticContact NE2-ND1 3.74Å; H149-H169 AromaticContact NE2-NE2 3.6Å |
| 150 | H | 83.4 | Confident | 85.4 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.1 | 176.6 | -70.4 | -50.3 | 0 | 0 | 0 | 111.3 | L148 S167 V168 | L148-H150 WeakPolarHBondContact CD1-CD2 3.17Å; H150-S167 CarbonylContact O-C 3.58Å; H150-S167 VanDerWaalsContact O-CA 3.3Å; H150-S167 WeakPolarHBondContact O-CA 3.12Å; H150-V168 PolarHBondContact N-O 2.82Å; H150-V168 PolarHBondContact O-N 2.78Å |
| 151 | H | 88.9 | Confident | 85.1 | Confident | 115 Ų | 115 | 80.8 Ų | 80.8 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.7 | 167.4 | -177.2 | 80.7 | 0 | 0 | 0 | 107.8 | S165 V166 S167 | H151-S165 PolarHBondContact CE1-OG 3.14Å; H151-S165 PolarHBondContact NE2-OG 3Å; H151-V166 CarbonylContact C-O 3.56Å; H151-V166 WeakPolarHBondContact CA-O 3.41Å; H151-S167 PolarHBondContact ND1-OG 2.76Å |
| 152 | V | 88.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 130.6 | -171.1 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | L138 V154 V166 | L138-V152 HydrophobicContact CD1-CG1 4.05Å; V152-V154 HydrophobicContact CG1-CG2 4.25Å; V152-V166 HydrophobicContact CG1-CB 4.49Å; V152-V166 PolarHBondContact N-O 3.04Å; V152-V166 PolarHBondContact O-N 3.04Å |
| 153 | P | 93.7 | Very high | 85.6 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 60% | 0.597 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.7 | 165.9 | 30.2 | -31.9 | 0 | 0 | 0 | 109.8 | V163 | P153-V163 HydrophobicContact CB-CG1 3.66Å |
| 154 | V | 95.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 112.2 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | L113 R136 L138 V152 V163 I164 V166 | L113-V154 HydrophobicContact CD1-CB 4.3Å; L113-V154 HydrophobicContact CD1-CG1 4.18Å; L113-V154 HydrophobicContact CD1-CG2 3.94Å; R136-V154 HydrophobicContact CB-CG1 3.73Å; R136-V154 HydrophobicContact CG-CG1 3.89Å; L138-V154 HydrophobicContact CD1-CG2 3.79Å; L138-V154 HydrophobicContact CD2-CG2 4.22Å; L138-V154 HydrophobicContact CG-CG2 4.46Å; V152-V154 HydrophobicContact CG1-CG2 4.25Å; V154-V163 CarbonylContact O-C 3.58Å; V154-V163 WeakPolarHBondContact O-CA 3.3Å; V154-I164 HydrophobicContact CB-CG2 3.81Å; V154-I164 PolarHBondContact N-O 2.69Å; V154-I164 PolarHBondContact O-N 2.92Å; V154-V166 HydrophobicContact CG2-CB 4.31Å; V154-V166 HydrophobicContact CG2-CG2 3.83Å |
| 155 | M | 95.1 | Very high | 87.1 | Confident | 95 Ų | 95 | 71.1 Ų | 71.1 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.2 | 179.8 | -177 | 179.7 | 178.5 | 0 | 0 | 110.8 | R136 L161 S162 V163 | R136-M155 PolarHBondContact NE-O 3.44Å; R136-M155 PolarHBondContact NH2-O 3.04Å; M155-L161 HydrophobicContact CE-CD1 3.12Å; M155-L161 HydrophobicContact CE-CG 4.13Å; M155-S162 CarbonylContact C-O 3.58Å; M155-S162 VanDerWaalsContact CA-O 3.31Å; M155-S162 WeakPolarHBondContact CA-O 3.28Å; M155-V163 HydrophobicContact CB-CG2 4.16Å; M155-V163 HydrophobicContact CG-CG2 4.16Å |
| 156 | F | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 151.2 | 169.3 | -62.1 | -78.1 | 0 | 0 | 0 | 109.7 | F17 I30 L113 L115 R136 H160 S162 I164 | F17-F156 HydrophobicContact CE2-CD2 4.15Å; F17-F156 AromaticContact CE2-CE2 3.99Å; F17-F156 HydrophobicContact CE2-CE2 3.99Å; I30-F156 HydrophobicContact CD1-CE2 4.47Å; L113-F156 HydrophobicContact CB-CZ 4.48Å; L115-F156 HydrophobicContact CB-CD1 3.74Å; L115-F156 HydrophobicContact CB-CD2 4.46Å; L115-F156 HydrophobicContact CB-CE1 3.71Å; L115-F156 HydrophobicContact CB-CE2 4.42Å; L115-F156 HydrophobicContact CB-CG 4.13Å; L115-F156 HydrophobicContact CB-CZ 4.06Å; L115-F156 HydrophobicContact CD1-CE2 4.49Å; L115-F156 HydrophobicContact CD2-CB 4.13Å; L115-F156 HydrophobicContact CD2-CD1 4.36Å; L115-F156 HydrophobicContact CD2-CD2 4.04Å; L115-F156 HydrophobicContact CD2-CG 3.91Å; R136-F156 HydrophobicContact CG-CD1 4.12Å; R136-F156 HydrophobicContact CG-CE1 4.39Å; F156-H160 CarbonylContact C-O 3.54Å; F156-H160 HydrophobicContact CB-CB 4.31Å; F156-S162 PolarHBondContact N-O 3.34Å; F156-I164 HydrophobicContact CE2-CB 4.13Å; F156-I164 HydrophobicContact CE2-CG2 3.51Å; F156-I164 HydrophobicContact CZ-CG2 3.86Å |
| 157 | D | 85 | Confident | 88.8 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -46.2 | 170.6 | -163.4 | -86.1 | -42 | 0 | 0 | 0 | 117.3 | S134 R136 F159 H160 L161 | S134-D157 PolarHBondContact OG-N 3.37Å; R136-D157 IonicContact CZ-OD1 3.12Å; R136-D157 IonicContact NH1-OD1 2.7Å; R136-D157 PolarHBondContact NH1-OD1 3.23Å; R136-D157 IonicContact NH1-OD2 2.89Å; R136-D157 IonicContact NH2-OD1 2.74Å; R136-D157 PolarHBondContact NH2-OD1 3.04Å; D157-F159 PolarHBondContact O-N 3.31Å; D157-F159 VanDerWaalsContact O-N 3.1Å; D157-H160 CarbonylContact O-C 3.59Å; D157-H160 WeakPolarHBondContact O-CA 3.44Å; D157-H160 PolarHBondContact O-N 2.77Å; D157-L161 PolarHBondContact O-N 2.78Å |
| 158 | Y | 72 | Confident | 89 | Confident | 191 Ų | 191 | 54.5 Ų | 54.5 | 75% | 0.749 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -53.3 | -34.3 | 179.1 | -176.2 | -98.1 | 0 | 0 | 0 | 113.9 | H160 | Y158-H160 VanDerWaalsContact C-N 3.33Š|
| 159 | F | 80 | Confident | 89.3 | Confident | 149 Ų | 149 | 54.7 Ų | 54.7 | 65% | 0.654 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -79.2 | -13.1 | 175.9 | -66.7 | -71.8 | 0 | 0 | 0 | 114.1 | F23 D157 | F23-F159 VanDerWaalsContact CD2-O 3.32Å; F23-F159 WeakPolarHBondContact CD2-O 3.45Å; F23-F159 WeakPolarHBondContact CE2-O 3.43Å; D157-F159 PolarHBondContact O-N 3.31Å; D157-F159 VanDerWaalsContact O-N 3.1Å |
| 160 | H | 79.9 | Confident | 89.4 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -129.5 | 51.7 | -179.5 | -61.5 | 107.6 | 0 | 0 | 0 | 110.2 | L22 L115 I133 F156 D157 Y158 S162 | L22-H160 HydrophobicContact CD2-CB 3.91Å; L115-H160 HydrophobicContact CD2-CB 4.47Å; I133-H160 PolarHBondContact O-CE1 3.18Å; I133-H160 PolarHBondContact O-ND1 3.14Å; F156-H160 CarbonylContact C-O 3.54Å; F156-H160 HydrophobicContact CB-CB 4.31Å; D157-H160 CarbonylContact O-C 3.59Å; D157-H160 WeakPolarHBondContact O-CA 3.44Å; D157-H160 PolarHBondContact O-N 2.77Å; Y158-H160 VanDerWaalsContact C-N 3.33Å; H160-S162 VanDerWaalsContact C-N 3.32Å; H160-S162 WeakPolarHBondContact O-CB 3.24Å; H160-S162 PolarHBondContact O-N 2.78Å; H160-S162 PolarHBondContact O-OG 3.25Å |
| 161 | L | 89.3 | Confident | 89.5 | Confident | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 90.4 | -170 | -157.8 | 77.9 | 0 | 0 | 0 | 111 | V20 D21 M155 D157 | V20-L161 WeakPolarHBondContact CA-O 3.39Å; V20-L161 HydrophobicContact CB-CB 4.37Å; V20-L161 HydrophobicContact CB-CD2 3.92Å; V20-L161 HydrophobicContact CB-CG 3.93Å; V20-L161 VanDerWaalsContact CB-O 3.25Å; V20-L161 WeakPolarHBondContact CB-O 3.27Å; V20-L161 HydrophobicContact CG1-CD2 3.55Å; V20-L161 HydrophobicContact CG1-CG 4.1Å; V20-L161 PolarHBondContact N-O 2.85Å; D21-L161 HydrophobicContact CB-CB 4.09Å; D21-L161 HydrophobicContact CB-CD2 4.01Å; D21-L161 PolarHBondContact N-O 3.32Å; M155-L161 HydrophobicContact CE-CD1 3.12Å; M155-L161 HydrophobicContact CE-CG 4.13Å; D157-L161 PolarHBondContact O-N 2.78Å |
| 162 | S | 94.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 156 | -173.5 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | F17 H18 M155 F156 H160 | F17-S162 WeakPolarHBondContact CZ-OG 3.41Å; H18-S162 CarbonylContact O-C 3.55Å; H18-S162 VanDerWaalsContact O-CA 3.24Å; H18-S162 WeakPolarHBondContact O-CA 3.22Å; H18-S162 WeakPolarHBondContact O-CB 3.44Å; M155-S162 CarbonylContact C-O 3.58Å; M155-S162 VanDerWaalsContact CA-O 3.31Å; M155-S162 WeakPolarHBondContact CA-O 3.28Å; F156-S162 PolarHBondContact N-O 3.34Å; H160-S162 VanDerWaalsContact C-N 3.32Å; H160-S162 WeakPolarHBondContact O-CB 3.24Å; H160-S162 PolarHBondContact O-N 2.78Å; H160-S162 PolarHBondContact O-OG 3.25Å |
| 163 | V | 95.6 | Very high | 89.1 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129 | -173.5 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | F17 H18 P153 V154 M155 | F17-V163 CarbonylContact C-O 3.57Å; F17-V163 WeakPolarHBondContact CA-O 3.39Å; H18-V163 PolarHBondContact N-O 2.96Å; H18-V163 PolarHBondContact O-N 3.44Å; P153-V163 HydrophobicContact CB-CG1 3.66Å; V154-V163 CarbonylContact O-C 3.58Å; V154-V163 WeakPolarHBondContact O-CA 3.3Å; M155-V163 HydrophobicContact CB-CG2 4.16Å; M155-V163 HydrophobicContact CG-CG2 4.16Å |
| 164 | I | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.3 | 167.6 | -178.3 | 64.1 | 0 | 0 | 0 | 109.7 | L14 K16 F17 I30 V83 V154 F156 V166 | L14-I164 HydrophobicContact CB-CD1 4.34Å; L14-I164 HydrophobicContact CD2-CG1 4.18Å; K16-I164 WeakPolarHBondContact O-CD1 3.21Å; F17-I164 HydrophobicContact CB-CD1 4.1Å; F17-I164 HydrophobicContact CD2-CB 4.09Å; F17-I164 HydrophobicContact CD2-CD1 4.32Å; I30-I164 HydrophobicContact CD1-CB 3.82Å; I30-I164 HydrophobicContact CD1-CD1 3.82Å; I30-I164 HydrophobicContact CD1-CG1 3.57Å; I30-I164 HydrophobicContact CD1-CG2 4.14Å; V83-I164 HydrophobicContact CG2-CD1 3.97Å; V154-I164 HydrophobicContact CB-CG2 3.81Å; V154-I164 PolarHBondContact N-O 2.69Å; V154-I164 PolarHBondContact O-N 2.92Å; F156-I164 HydrophobicContact CE2-CB 4.13Å; F156-I164 HydrophobicContact CE2-CG2 3.51Å; F156-I164 HydrophobicContact CZ-CG2 3.86Å; I164-V166 HydrophobicContact CG1-CG2 4.02Å; I164-V166 HydrophobicContact CG2-CG2 3.95Å |
| 165 | S | 93.4 | Very high | 87.7 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.5 | 171.4 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | H15 K16 H151 | H15-S165 PolarHBondContact N-O 3.22Å; K16-S165 PolarHBondContact O-N 2.8Å; H151-S165 PolarHBondContact CE1-OG 3.14Å; H151-S165 PolarHBondContact NE2-OG 3Å |
| 166 | V | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | -174.9 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | V12 E13 L14 L113 H151 V152 V154 I164 V168 | V12-V166 HydrophobicContact CG1-CG1 3.99Å; E13-V166 CarbonylContact O-C 3.57Å; E13-V166 VanDerWaalsContact O-CA 3.31Å; E13-V166 WeakPolarHBondContact O-CA 3.38Å; L14-V166 HydrophobicContact CD2-CG1 4.4Å; L14-V166 HydrophobicContact CD2-CG2 3.9Å; L113-V166 HydrophobicContact CD1-CG2 3.86Å; H151-V166 CarbonylContact C-O 3.56Å; H151-V166 WeakPolarHBondContact CA-O 3.41Å; V152-V166 HydrophobicContact CG1-CB 4.49Å; V152-V166 PolarHBondContact N-O 3.04Å; V152-V166 PolarHBondContact O-N 3.04Å; V154-V166 HydrophobicContact CG2-CB 4.31Å; V154-V166 HydrophobicContact CG2-CG2 3.83Å; I164-V166 HydrophobicContact CG1-CG2 4.02Å; I164-V166 HydrophobicContact CG2-CG2 3.95Å; V166-V168 HydrophobicContact CG1-CG2 4.02Å |
| 167 | S | 92.1 | Very high | 86 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.9 | 163.1 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | V12 E13 H15 H150 H151 | V12-S167 WeakPolarHBondContact CA-O 3.27Å; E13-S167 PolarHBondContact N-O 2.99Å; E13-S167 PolarHBondContact O-N 3.47Å; H15-S167 PolarHBondContact NE2-OG 2.85Å; H150-S167 CarbonylContact O-C 3.58Å; H150-S167 VanDerWaalsContact O-CA 3.3Å; H150-S167 WeakPolarHBondContact O-CA 3.12Å; H151-S167 PolarHBondContact ND1-OG 2.76Å |
| 168 | V | 90.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.6 | 173.1 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | F10 S11 V12 L111 L140 L148 H149 H150 V166 | F10-V168 HydrophobicContact CD1-CG1 4.46Å; S11-V168 WeakPolarHBondContact O-CA 3.37Å; V12-V168 HydrophobicContact CG2-CG1 4.32Å; V12-V168 HydrophobicContact CG2-CG2 4.39Å; L111-V168 HydrophobicContact CD2-CG2 3.85Å; L140-V168 HydrophobicContact CD1-CG1 4.15Å; L140-V168 HydrophobicContact CD2-CG1 4.22Å; L140-V168 HydrophobicContact CD2-CG2 4.38Å; L148-V168 HydrophobicContact CD2-CG1 3.83Å; H149-V168 VanDerWaalsContact CA-O 3.31Å; H149-V168 WeakPolarHBondContact CA-O 3.42Å; H150-V168 PolarHBondContact N-O 2.82Å; H150-V168 PolarHBondContact O-N 2.78Å; V166-V168 HydrophobicContact CG1-CG2 4.02Å |
| 169 | H | 89.9 | Confident | 85 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.9 | 170 | -58.4 | -107.4 | 0 | 0 | 0 | 108.4 | F10 S11 L148 H149 | F10-H169 CarbonylContact C-O 3.54Å; F10-H169 VanDerWaalsContact CA-O 3.28Å; F10-H169 WeakPolarHBondContact CA-O 3.28Å; S11-H169 PolarHBondContact N-O 2.81Å; S11-H169 PolarHBondContact O-N 2.83Å; L148-H169 CarbonylContact O-C 3.52Å; L148-H169 VanDerWaalsContact O-CA 3.25Å; L148-H169 WeakPolarHBondContact O-CA 3.31Å; H149-H169 AromaticContact CD2-CE1 2.92Å; H149-H169 PolarHBondContact CD2-CE1 3.3Å; H149-H169 AromaticContact CD2-CG 3.82Å; H149-H169 AromaticContact CD2-ND1 3.11Å; H149-H169 PolarHBondContact CD2-ND1 2.78Å; H149-H169 AromaticContact CD2-NE2 3.5Å; H149-H169 AromaticContact CG-CE1 3.94Å; H149-H169 AromaticContact CG-ND1 3.85Å; H149-H169 AromaticContact NE2-CE1 3.05Å; H149-H169 PolarHBondContact NE2-CE1 3.19Å; H149-H169 AromaticContact NE2-ND1 3.74Å; H149-H169 AromaticContact NE2-NE2 3.6Å |
| 170 | A | 88.5 | Confident | 84.2 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E9 F10 F142 G147 L148 | E9-A170 CarbonylContact O-C 3.56Å; E9-A170 WeakPolarHBondContact O-CA 3.39Å; F10-A170 HydrophobicContact CB-CB 4.29Å; F10-A170 HydrophobicContact CD1-CB 3.28Å; F10-A170 HydrophobicContact CD2-CB 4.24Å; F10-A170 HydrophobicContact CE1-CB 3.48Å; F10-A170 VanDerWaalsContact CE1-CB 3.48Å; F10-A170 HydrophobicContact CE2-CB 4.4Å; F10-A170 HydrophobicContact CG-CB 3.68Å; F10-A170 HydrophobicContact CZ-CB 4.05Å; F142-A170 HydrophobicContact CD2-CB 3.98Å; F142-A170 HydrophobicContact CE2-CB 4.2Å; G147-A170 CarbonylContact C-O 3.56Å; G147-A170 WeakPolarHBondContact CA-O 3.44Å; L148-A170 HydrophobicContact CB-CB 3.76Å; L148-A170 HydrophobicContact CD2-CB 4.31Å; L148-A170 PolarHBondContact N-O 2.84Å; L148-A170 PolarHBondContact O-N 2.94Å |
| 171 | S | 85.6 | Confident | 83.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.7 | 179.3 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | L8 E9 V173 S241 | L8-S171 VanDerWaalsContact CA-O 3.3Å; L8-S171 WeakPolarHBondContact CA-O 3.36Å; E9-S171 PolarHBondContact N-O 2.92Å; E9-S171 PolarHBondContact O-N 2.8Å; S171-V173 WeakPolarHBondContact OG-CG1 3.47Å; S171-S241 WeakPolarHBondContact CB-OG 3.43Å |
| 172 | L | 85.1 | Confident | 82 | Confident | 29 Ų | 29 | 37.6 Ų | 37.6 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 112.5 | 167.5 | -178.7 | 69.9 | 0 | 0 | 0 | 109 | L8 L104 F142 L175 | L8-L172 HydrophobicContact CD2-CB 3.71Å; L8-L172 HydrophobicContact CD2-CD1 3.7Å; L8-L172 HydrophobicContact CD2-CG 4.31Å; L8-L172 HydrophobicContact CG-CD1 4.48Å; L104-L172 HydrophobicContact CD1-CD2 4.05Å; F142-L172 HydrophobicContact CZ-CB 4.25Å; L172-L175 HydrophobicContact CD1-CD2 4.22Å; L172-L175 HydrophobicContact CD1-CG 4.42Å; L172-L175 HydrophobicContact CD2-CD1 3.9Å; L172-L175 HydrophobicContact CD2-CD2 4.12Å; L172-L175 HydrophobicContact CD2-CG 3.96Å; L172-L175 HydrophobicContact CG-CG 4.39Å |
| 173 | V | 83.6 | Confident | 80 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -19.4 | -171.2 | -63.2 | 0 | 0 | 0 | 0 | 113.4 | T7 E9 S171 | T7-V173 HydrophobicContact CG2-CG2 3.76Å; T7-V173 VanDerWaalsContact O-CG2 3.27Å; T7-V173 WeakPolarHBondContact O-CG2 3.21Å; T7-V173 PolarHBondContact O-N 2.77Å; E9-V173 HydrophobicContact CB-CG1 3.9Å; E9-V173 HydrophobicContact CB-CG2 4.21Å; S171-V173 WeakPolarHBondContact OG-CG1 3.47Å |
| 174 | A | 80.8 | Confident | 77.9 | Confident | 39 Ų | 39 | 49 Ų | 49 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 147.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T7 | T7-A174 PolarHBondContact N-O 2.9Å; T7-A174 PolarHBondContact O-N 3.21Å |
| 175 | L | 80.4 | Confident | 75.3 | Confident | 76 Ų | 76 | 55 Ų | 55 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.7 | 166.8 | -72.5 | 165.9 | 0 | 0 | 0 | 107.6 | V4 Q5 L100 L172 | V4-L175 HydrophobicContact CG1-CB 4.29Å; V4-L175 HydrophobicContact CG1-CD2 3.85Å; Q5-L175 WeakPolarHBondContact O-CA 3.44Å; L100-L175 HydrophobicContact CD1-CD2 3.93Å; L100-L175 HydrophobicContact CD2-CD1 3.64Å; L100-L175 HydrophobicContact CD2-CD2 3.89Å; L100-L175 HydrophobicContact CD2-CG 4.44Å; L172-L175 HydrophobicContact CD1-CD2 4.22Å; L172-L175 HydrophobicContact CD1-CG 4.42Å; L172-L175 HydrophobicContact CD2-CD1 3.9Å; L172-L175 HydrophobicContact CD2-CD2 4.12Å; L172-L175 HydrophobicContact CD2-CG 3.96Å; L172-L175 HydrophobicContact CG-CG 4.39Å |
| 176 | H | 76.6 | Confident | 72.7 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 169.3 | 179.5 | 59.9 | 88.1 | 0 | 0 | 0 | 111.3 | Q5 | Q5-H176 PolarHBondContact N-O 3.26Å; Q5-H176 PolarHBondContact NE2-CE1 3.49Å; Q5-H176 PolarHBondContact NE2-NE2 2.83Å; Q5-H176 VanDerWaalsContact NE2-NE2 3.15Å; Q5-H176 PolarHBondContact O-N 2.81Å; Q5-H176 PolarHBondContact OE1-CE1 2.92Å; Q5-H176 VanDerWaalsContact OE1-CE1 3.25Å |
| 177 | Q | 74.5 | Confident | 70.1 | Confident | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -58.7 | 148.4 | 171.6 | -68.8 | -179.9 | -7.3 | 0 | 0 | 110.3 | L179 | Q177-L179 WeakPolarHBondContact O-CG 3.5Å; Q177-L179 PolarHBondContact O-N 3.34Å |
| 178 | P | 73.1 | Confident | 67.5 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | trans | -61 | 107.3 | -178.7 | -21 | 32.9 | 0 | 0 | 0 | 111.2 | E3 L94 | E3-P178 HydrophobicContact CB-CG 3.82Å; E3-P178 VanDerWaalsContact O-CD 3.29Å; E3-P178 WeakPolarHBondContact O-CD 3.45Å; E3-P178 WeakPolarHBondContact O-CG 3.32Å; L94-P178 HydrophobicContact CD1-CB 3.77Å; L94-P178 HydrophobicContact CD1-CG 3.7Å | ||
| 179 | L | 62.4 | Low | 65 | Low | 136 Ų | 136 | 76 Ų | 76 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | trans | -108 | -16.7 | 179 | -66.6 | 174.3 | 0 | 0 | 0 | 111.7 | Q177 | Q177-L179 WeakPolarHBondContact O-CG 3.5Å; Q177-L179 PolarHBondContact O-N 3.34Å | ||
| 180 | I | 62.3 | Low | 63 | Low | 47 Ų | 47 | 86.2 Ų | 86.2 | 24% | 0.241 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -100.2 | 132.8 | 179 | -58.3 | -175.3 | 0 | 0 | 0 | 109.2 | Q5 H92 F182 | Q5-I180 VanDerWaalsContact OE1-N 3.14Å; H92-I180 HydrophobicContact CB-CD1 4.39Å; I180-F182 HydrophobicContact CB-CE2 4.2Å; I180-F182 HydrophobicContact CB-CZ 4.34Å; I180-F182 WeakPolarHBondContact O-CD2 3.47Å; I180-F182 VanDerWaalsContact O-CE2 3.29Å; I180-F182 WeakPolarHBondContact O-CE2 3.26Å; I180-F182 PolarHBondContact O-N 3.49Å |
| 181 | S | 60.2 | Low | 60.8 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 65% | 0.65 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 120 | 169.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 182 | F | 63.7 | Low | 58.2 | Low | 22 Ų | 22 | 97.2 Ų | 97.2 | 10% | 0.096 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -97.9 | 124.7 | 173.5 | -64.9 | -89.3 | 0 | 0 | 0 | 108.5 | Q5 P41 H92 L94 I180 R184 | Q5-F182 HydrophobicContact CG-CE2 4.36Å; Q5-F182 HydrophobicContact CG-CZ 4.04Å; P41-F182 HydrophobicContact CB-CB 3.74Å; P41-F182 HydrophobicContact CB-CD1 4.22Å; P41-F182 HydrophobicContact CB-CG 4.13Å; H92-F182 HydrophobicContact CB-CE1 4.35Å; H92-F182 HydrophobicContact CB-CZ 4.35Å; L94-F182 HydrophobicContact CB-CD1 4.37Å; L94-F182 HydrophobicContact CB-CD2 3.74Å; L94-F182 HydrophobicContact CB-CE1 4.4Å; L94-F182 HydrophobicContact CB-CE2 3.79Å; L94-F182 HydrophobicContact CB-CG 4.05Å; L94-F182 HydrophobicContact CB-CZ 4.12Å; L94-F182 HydrophobicContact CD1-CD2 4.11Å; L94-F182 HydrophobicContact CD1-CE2 3.95Å; L94-F182 HydrophobicContact CD2-CB 4.49Å; L94-F182 HydrophobicContact CD2-CD2 3.92Å; L94-F182 HydrophobicContact CD2-CG 4.39Å; L94-F182 HydrophobicContact CG-CD2 4.15Å; L94-F182 HydrophobicContact CG-CE2 4.32Å; I180-F182 HydrophobicContact CB-CE2 4.2Å; I180-F182 HydrophobicContact CB-CZ 4.34Å; I180-F182 WeakPolarHBondContact O-CD2 3.47Å; I180-F182 VanDerWaalsContact O-CE2 3.29Å; I180-F182 WeakPolarHBondContact O-CE2 3.26Å; I180-F182 PolarHBondContact O-N 3.49Å; F182-R184 PolarHBondContact O-N 3.39Å |
| 183 | A | 50.8 | Low | 55.9 | Low | 98 Ų | 98 | 106.5 Ų | 106.5 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | trans | -63.6 | 101.7 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | T185 | A183-T185 PolarHBondContact O-N 2.8Š| ||
| 184 | R | 52 | Low | 53.2 | Low | 177 Ų | 177 | 108.6 Ų | 108.6 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | trans | -67.8 | 121 | 172.7 | -77.2 | -178.4 | 159.2 | -173.3 | -3.3 | 107.6 | E3 F182 G186 | E3-R184 IonicContact OE1-NH2 2.91Å; E3-R184 PolarHBondContact OE1-NH2 3.15Å; F182-R184 PolarHBondContact O-N 3.39Å; R184-G186 VanDerWaalsContact C-N 3.35Å; R184-G186 PolarHBondContact O-N 2.66Å | ||
| 185 | T | 42.7 | Very low | 50.7 | Low | 125 Ų | 125 | 112.7 Ų | 112.7 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | trans | -62.6 | 98.7 | 166.1 | 44.5 | 0 | 0 | 0 | 0 | 107.9 | A183 K187 | A183-T185 PolarHBondContact O-N 2.8Å; T185-K187 PolarHBondContact O-N 3.22Å | ||
| 186 | G | 38.4 | Very low | 48.7 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -59.9 | 128.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | R184 G188 | R184-G186 VanDerWaalsContact C-N 3.35Å; R184-G186 PolarHBondContact O-N 2.66Å; G186-G188 PolarHBondContact O-N 3.08Å | ||
| 187 | K | 39.6 | Very low | 46.6 | Very low | 209 Ų | 209 | 120.4 Ų | 120.4 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | trans | -62.3 | 108.1 | 160.7 | -79.6 | 177.5 | 174.2 | 176.2 | 0 | 107.1 | T185 S189 | T185-K187 PolarHBondContact O-N 3.22Å; K187-S189 PolarHBondContact O-N 3.4Å | ||
| 188 | G | 37.2 | Very low | 44.4 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -59.2 | 105.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | G186 W190 | G186-G188 PolarHBondContact O-N 3.08Å; G188-W190 PolarHBondContact O-N 2.92Å; G188-W190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | S | 37.4 | Very low | 42.8 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -77.7 | 93.2 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | K187 | K187-S189 PolarHBondContact O-N 3.4Š| ||
| 190 | W | 48.7 | Very low | 41.3 | Very low | 230 Ų | 230 | 123.6 Ų | 123.6 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | -119.7 | 131.6 | 170.4 | -134.2 | 49 | 0 | 0 | 0 | 109 | G188 | G188-W190 PolarHBondContact O-N 2.92Å; G188-W190 VanDerWaalsContact O-N 3.16Å | ||
| 191 | L | 41.8 | Very low | 39.8 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 87.3 | 124 | -178.8 | -51.8 | 162.7 | 0 | 0 | 0 | 114.7 | ||||
| 192 | G | 31.6 | Very low | 38.7 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 164.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 193 | K | 35.9 | Very low | 37.6 | Very low | 225 Ų | 225 | 133.9 Ų | 133.9 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | 77.9 | 118.5 | 157 | -83.7 | 176.1 | 164.7 | 178.2 | 0 | 121.9 | ||||
| 194 | G | 28 | Very low | 37 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 145.7 | 106.1 | 131.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 195 | S | 26.5 | Very low | 36.8 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 97.7 | 142.4 | 153.1 | -148.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 196 | P | 39.3 | Very low | 37.4 | Very low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -107.5 | 168.1 | -159.4 | 42.4 | -31.9 | 0 | 0 | 0 | 114.8 | ||||
| 197 | E | 32.6 | Very low | 37.9 | Very low | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | 78 | 96.5 | 161.1 | -50.9 | -162.3 | 144.3 | 0 | 0 | 119.4 | ||||
| 198 | S | 29 | Very low | 38.3 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | -157.7 | 116.1 | 129.7 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 199 | V | 38.3 | Very low | 38.8 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 92% | 0.915 | 74% | 0.737 | S | S | * | * | trans | -73.9 | 119 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 200 | S | 30.6 | Very low | 39.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | -166.8 | 117.4 | 151.6 | 41.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 201 | D | 30.8 | Very low | 39.7 | Very low | 156 Ų | 156 | 116.3 Ų | 116.3 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | 59.5 | 143.7 | 151.9 | -72.6 | -26.6 | 0 | 0 | 0 | 124.3 | ||||
| 202 | P | 38.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -74.8 | 139.4 | -170.8 | 32.1 | -33.7 | 0 | 0 | 0 | 111 | A204 | P202-A204 PolarHBondContact O-N 3.17Š| ||
| 203 | S | 40.8 | Very low | 40.7 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -44.1 | 106.7 | 172 | 51.6 | 0 | 0 | 0 | 0 | 112 | V205 | S203-V205 VanDerWaalsContact C-N 3.35Å; S203-V205 PolarHBondContact O-N 2.85Å | ||
| 204 | A | 37.8 | Very low | 40.9 | Very low | 101 Ų | 101 | 106.7 Ų | 106.7 | 84% | 0.835 | 68% | 0.676 | S | S | * | * | trans | -65 | 97.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P202 S206 | P202-A204 PolarHBondContact O-N 3.17Å; A204-S206 PolarHBondContact O-N 3.48Å | ||
| 205 | V | 48.2 | Very low | 41.7 | Very low | 84 Ų | 84 | 105.9 Ų | 105.9 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | trans | -64.7 | 113.3 | 165.1 | -178.7 | 0 | 0 | 0 | 0 | 106 | S203 V207 N209 L210 | S203-V205 VanDerWaalsContact C-N 3.35Å; S203-V205 PolarHBondContact O-N 2.85Å; V205-V207 PolarHBondContact O-N 2.92Å; V205-N209 HydrophobicContact CG1-CB 4.09Å; V205-L210 HydrophobicContact CG1-CD1 4.11Å; V205-L210 HydrophobicContact CG1-CD2 4.33Å; V205-L210 HydrophobicContact CG1-CG 3.76Å | ||
| 206 | S | 53.5 | Low | 42.4 | Very low | 50 Ų | 50 | 104.1 Ų | 104.1 | 35% | 0.35 | 64% | 0.642 | S | S | . | * | trans | -60.1 | 140.1 | 175.9 | 66.8 | 0 | 0 | 0 | 0 | 109.1 | A204 E208 N209 L210 | A204-S206 PolarHBondContact O-N 3.48Å; S206-E208 PolarHBondContact O-N 3Å; S206-N209 WeakPolarHBondContact O-CB 3.18Å; S206-N209 PolarHBondContact O-N 2.89Å; S206-L210 PolarHBondContact O-N 3.39Å | ||
| 207 | V | 50.3 | Low | 42.7 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -54 | -28.7 | 178.5 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | V205 N209 L210 V211 | V205-V207 PolarHBondContact O-N 2.92Å; V207-N209 PolarHBondContact O-N 3.12Å; V207-L210 PolarHBondContact O-N 3.16Å; V207-V211 HydrophobicContact CG1-CG2 4.36Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.49Å; V207-V211 PolarHBondContact O-N 2.73Å |
| 208 | E | 47.3 | Very low | 42.8 | Very low | 91 Ų | 91 | 101.7 Ų | 101.7 | 43% | 0.425 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.6 | -39.4 | 176.1 | -46.6 | -171.8 | 140.4 | 0 | 0 | 112.6 | S206 V211 F212 K218 | S206-E208 PolarHBondContact O-N 3Å; E208-V211 PolarHBondContact O-N 2.64Å; E208-F212 WeakPolarHBondContact O-CD2 3.01Å; E208-F212 PolarHBondContact O-N 3.18Å; E208-K218 IonicContact OE1-NZ 3Å; E208-K218 PolarHBondContact OE1-NZ 2.79Å |
| 209 | N | 48 | Very low | 43.2 | Very low | 72 Ų | 72 | 100.5 Ų | 100.5 | 39% | 0.385 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.9 | -29.9 | 176.4 | -78.5 | -15.6 | 0 | 0 | 0 | 112.8 | V205 S206 V207 G213 | V205-N209 HydrophobicContact CG1-CB 4.09Å; S206-N209 WeakPolarHBondContact O-CB 3.18Å; S206-N209 PolarHBondContact O-N 2.89Å; V207-N209 PolarHBondContact O-N 3.12Å; N209-G213 CarbonylContact O-C 3.53Å; N209-G213 VanDerWaalsContact O-CA 3.25Å; N209-G213 WeakPolarHBondContact O-CA 3.27Å; N209-G213 PolarHBondContact O-N 2.84Å; N209-G213 VanDerWaalsContact O-N 3.1Å |
| 210 | L | 52.4 | Low | 42.9 | Very low | 133 Ų | 133 | 99.9 Ų | 99.9 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.1 | -34 | 175.7 | -76.5 | 162.2 | 0 | 0 | 0 | 112.1 | V205 S206 V207 | V205-L210 HydrophobicContact CG1-CD1 4.11Å; V205-L210 HydrophobicContact CG1-CD2 4.33Å; V205-L210 HydrophobicContact CG1-CG 3.76Å; S206-L210 PolarHBondContact O-N 3.39Å; V207-L210 PolarHBondContact O-N 3.16Å |
| 211 | V | 52.8 | Low | 42.9 | Very low | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.576 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86.1 | -38.4 | -177.2 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | V207 E208 | V207-V211 HydrophobicContact CG1-CG2 4.36Å; V207-V211 VanDerWaalsContact O-CG2 3.3Å; V207-V211 WeakPolarHBondContact O-CG2 3.49Å; V207-V211 PolarHBondContact O-N 2.73Å; E208-V211 PolarHBondContact O-N 2.64Å |
| 212 | F | 50.7 | Low | 42.8 | Very low | 127 Ų | 127 | 99.1 Ų | 99.1 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -115.8 | -0.9 | -171.8 | -57.3 | -73 | 0 | 0 | 0 | 114.7 | E208 Y216 | E208-F212 WeakPolarHBondContact O-CD2 3.01Å; E208-F212 PolarHBondContact O-N 3.18Å; F212-Y216 HydrophobicContact CB-CD1 4.27Å; F212-Y216 HydrophobicContact CB-CD2 3.74Å; F212-Y216 HydrophobicContact CB-CE2 4.45Å; F212-Y216 HydrophobicContact CB-CG 3.64Å; F212-Y216 HydrophobicContact CD1-CE2 4.46Å; F212-Y216 HydrophobicContact CD2-CD1 4.43Å; F212-Y216 HydrophobicContact CD2-CE1 4.47Å; F212-Y216 HydrophobicContact CG-CD1 4.5Å; F212-Y216 HydrophobicContact CG-CD2 4.11Å; F212-Y216 HydrophobicContact CG-CE2 4.33Å; F212-Y216 HydrophobicContact CG-CG 4.2Å |
| 213 | G | 43.4 | Very low | 42.4 | Very low | 35 Ų | 35 | 102.4 Ų | 102.4 | 36% | 0.361 | 62% | 0.615 | S | S | . | * | trans | 83.3 | 152.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N209 G215 Y216 | N209-G213 CarbonylContact O-C 3.53Å; N209-G213 VanDerWaalsContact O-CA 3.25Å; N209-G213 WeakPolarHBondContact O-CA 3.27Å; N209-G213 PolarHBondContact O-N 2.84Å; N209-G213 VanDerWaalsContact O-N 3.1Å; G213-G215 PolarHBondContact O-N 2.84Å; G213-Y216 PolarHBondContact O-N 2.9Å | ||
| 214 | A | 40.2 | Very low | 41.7 | Very low | 101 Ų | 101 | 102.1 Ų | 102.1 | 84% | 0.835 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 97.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 215 | G | 45.1 | Very low | 41.2 | Very low | 59 Ų | 59 | 108.5 Ų | 108.5 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.9 | -7.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G213 C217 | G213-G215 PolarHBondContact O-N 2.84Å; G215-C217 PolarHBondContact O-N 3.21Å |
| 216 | Y | 40.7 | Very low | 40 | Very low | 89 Ų | 89 | 107.4 Ų | 107.4 | 35% | 0.349 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 116.4 | 175 | -176.4 | -98.7 | 0 | 0 | 0 | 111.7 | F212 G213 K218 | F212-Y216 HydrophobicContact CB-CD1 4.27Å; F212-Y216 HydrophobicContact CB-CD2 3.74Å; F212-Y216 HydrophobicContact CB-CE2 4.45Å; F212-Y216 HydrophobicContact CB-CG 3.64Å; F212-Y216 HydrophobicContact CD1-CE2 4.46Å; F212-Y216 HydrophobicContact CD2-CD1 4.43Å; F212-Y216 HydrophobicContact CD2-CE1 4.47Å; F212-Y216 HydrophobicContact CG-CD1 4.5Å; F212-Y216 HydrophobicContact CG-CD2 4.11Å; F212-Y216 HydrophobicContact CG-CE2 4.33Å; F212-Y216 HydrophobicContact CG-CG 4.2Å; G213-Y216 PolarHBondContact O-N 2.9Å; Y216-K218 HydrophobicContact CE1-CB 3.88Å; Y216-K218 HydrophobicContact CE1-CG 3.84Å |
| 217 | C | 46.1 | Very low | 38.9 | Very low | 115 Ų | 115 | 113.8 Ų | 113.8 | 78% | 0.777 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 120.9 | 162.3 | -73.4 | 0 | 0 | 0 | 0 | 108.3 | G215 | G215-C217 PolarHBondContact O-N 3.21Š|
| 218 | K | 34.7 | Very low | 38.1 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.9 | 177.4 | -144.4 | 166.7 | -164.6 | 169.3 | 0 | 108.3 | E208 Y216 V220 | E208-K218 IonicContact OE1-NZ 3Å; E208-K218 PolarHBondContact OE1-NZ 2.79Å; Y216-K218 HydrophobicContact CE1-CB 3.88Å; Y216-K218 HydrophobicContact CE1-CG 3.84Å; K218-V220 PolarHBondContact O-N 2.88Å |
| 219 | P | 36.6 | Very low | 37.3 | Very low | 86 Ų | 86 | 114.4 Ų | 114.4 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.3 | 172.2 | 24.1 | -30 | 0 | 0 | 0 | 108.2 | I221 | P219-I221 PolarHBondContact O-N 2.84Š|
| 220 | V | 31.3 | Very low | 36.5 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 83% | 0.83 | 64% | 0.639 | S | S | * | * | trans | -69.2 | 102.7 | 171.6 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | K218 S222 | K218-V220 PolarHBondContact O-N 2.88Å; V220-S222 PolarHBondContact O-N 3.16Å | ||
| 221 | I | 31.3 | Very low | 35.5 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | trans | -70.6 | 89.8 | 169.9 | -58.2 | 171.7 | 0 | 0 | 0 | 106.1 | P219 E223 | P219-I221 PolarHBondContact O-N 2.84Å; I221-E223 HydrophobicContact CG2-CG 4.44Å | ||
| 222 | S | 29.7 | Very low | 34.5 | Very low | 93 Ų | 93 | 113 Ų | 113 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | trans | -93.9 | 114.1 | 158.8 | -173.1 | 0 | 0 | 0 | 0 | 106.3 | V220 V224 | V220-S222 PolarHBondContact O-N 3.16Å; S222-V224 PolarHBondContact O-N 2.85Å | ||
| 223 | E | 29.5 | Very low | 33.7 | Very low | 183 Ų | 183 | 114 Ų | 114 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -66.6 | 71.1 | 176.9 | -67.1 | -164.9 | 160.7 | 0 | 0 | 111.5 | I221 | I221-E223 HydrophobicContact CG2-CG 4.44Š|
| 224 | V | 25.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | trans | -152.2 | 109.4 | 153.2 | -178 | 0 | 0 | 0 | 0 | 106.5 | S222 S226 | S222-V224 PolarHBondContact O-N 2.85Å; V224-S226 PolarHBondContact O-N 3.41Å; V224-S226 PolarHBondContact O-OG 2.82Å; V224-S226 VanDerWaalsContact O-OG 3.08Å | ||
| 225 | W | 27.9 | Very low | 32.8 | Very low | 235 Ų | 235 | 112.7 Ų | 112.7 | 89% | 0.89 | 62% | 0.615 | S | S | * | * | trans | -61.2 | 90.8 | 168.7 | -119.4 | -4.6 | 0 | 0 | 0 | 108.8 | Y227 | W225-Y227 PolarHBondContact O-N 2.83Š| ||
| 226 | S | 23.3 | Very low | 32.2 | Very low | 62 Ų | 62 | 111.9 Ų | 111.9 | 43% | 0.434 | 61% | 0.606 | S | S | . | * | trans | -95.3 | 93.1 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 106.9 | V224 I228 | V224-S226 PolarHBondContact O-N 3.41Å; V224-S226 PolarHBondContact O-OG 2.82Å; V224-S226 VanDerWaalsContact O-OG 3.08Å; S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 2.7Å | ||
| 227 | Y | 30.8 | Very low | 31.9 | Very low | 183 Ų | 183 | 109.3 Ų | 109.3 | 72% | 0.718 | 60% | 0.603 | S | S | * | * | trans | -59.8 | 98.5 | 158.3 | -64.4 | -85 | 0 | 0 | 0 | 106.7 | W225 V229 | W225-Y227 PolarHBondContact O-N 2.83Å; Y227-V229 PolarHBondContact O-N 2.96Å | ||
| 228 | I | 32.4 | Very low | 31.4 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | trans | -71.5 | 87.8 | 168.6 | -61.5 | 178.5 | 0 | 0 | 0 | 105.7 | S226 L230 | S226-I228 VanDerWaalsContact C-N 3.26Å; S226-I228 PolarHBondContact O-N 2.7Å; I228-L230 HydrophobicContact CG2-CD1 3.79Å; I228-L230 PolarHBondContact O-N 2.82Å | ||
| 229 | V | 30.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 104.4 Ų | 104.4 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | trans | -69.4 | 88.5 | 167.5 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | Y227 S231 | Y227-V229 PolarHBondContact O-N 2.96Å; V229-S231 PolarHBondContact O-N 2.79Å | ||
| 230 | L | 31.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 105.8 Ų | 105.8 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | trans | -72.6 | 96 | 174.2 | -139.7 | 103.5 | 0 | 0 | 0 | 108.4 | I228 | I228-L230 HydrophobicContact CG2-CD1 3.79Å; I228-L230 PolarHBondContact O-N 2.82Å | ||
| 231 | S | 30.1 | Very low | 31.6 | Very low | 61 Ų | 61 | 100.7 Ų | 100.7 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | trans | 60.8 | 131.8 | 178.5 | 80.6 | 0 | 0 | 0 | 0 | 116.3 | V229 H233 M234 | V229-S231 PolarHBondContact O-N 2.79Å; S231-H233 PolarHBondContact O-N 2.9Å; S231-M234 PolarHBondContact O-N 3.28Å | ||
| 232 | S | 32.3 | Very low | 31.9 | Very low | 100 Ų | 100 | 101.1 Ų | 101.1 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.4 | -9.8 | 175.4 | 37.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 233 | H | 33.7 | Very low | 32.4 | Very low | 146 Ų | 146 | 99.1 Ų | 99.1 | 68% | 0.676 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -90.1 | -22.5 | -178.5 | -62.3 | 90.7 | 0 | 0 | 0 | 113.9 | S231 | S231-H233 PolarHBondContact O-N 2.9Å |
| 234 | M | 33.1 | Very low | 33.1 | Very low | 59 Ų | 59 | 93.3 Ų | 93.3 | 29% | 0.291 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -95.9 | -24.3 | -177.9 | -67.9 | -69.3 | 87.9 | 0 | 0 | 113.8 | R145 S231 G236 A237 A238 | R145-M234 HydrophobicContact CG-CE 4.47Å; S231-M234 PolarHBondContact O-N 3.28Å; M234-G236 VanDerWaalsContact C-N 3.29Å; M234-G236 PolarHBondContact O-N 2.7Å; M234-A237 HydrophobicContact CE-CB 4.28Å; M234-A237 PolarHBondContact O-N 3.11Å; M234-A238 PolarHBondContact O-N 3.27Å |
| 235 | A | 32.8 | Very low | 34 | Very low | 50 Ų | 50 | 90 Ų | 90 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L239 | A235-L239 PolarHBondContact O-N 3.12Å |
| 236 | G | 32.5 | Very low | 34.8 | Very low | 42 Ų | 42 | 82.6 Ų | 82.6 | 43% | 0.433 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M234 F240 | M234-G236 VanDerWaalsContact C-N 3.29Å; M234-G236 PolarHBondContact O-N 2.7Å; G236-F240 VanDerWaalsContact O-CB 3.31Å; G236-F240 WeakPolarHBondContact O-CB 3.35Å; G236-F240 PolarHBondContact O-N 3.41Å |
| 237 | A | 33.4 | Very low | 35.9 | Very low | 35 Ų | 35 | 83.2 Ų | 83.2 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -72.9 | -36 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M234 F240 S241 | M234-A237 HydrophobicContact CE-CB 4.28Å; M234-A237 PolarHBondContact O-N 3.11Å; A237-F240 PolarHBondContact O-N 3.33Å; A237-S241 VanDerWaalsContact O-CB 3.31Å; A237-S241 WeakPolarHBondContact O-CB 3.35Å; A237-S241 PolarHBondContact O-N 3.09Å |
| 238 | A | 35.3 | Very low | 36.5 | Very low | 35 Ų | 35 | 78.3 Ų | 78.3 | 29% | 0.289 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M234 R242 | M234-A238 PolarHBondContact O-N 3.27Å; A238-R242 WeakPolarHBondContact O-CB 3.39Å; A238-R242 VanDerWaalsContact O-CG 3.28Å; A238-R242 WeakPolarHBondContact O-CG 3.4Å; A238-R242 PolarHBondContact O-N 3.35Å; A238-R242 VanDerWaalsContact O-N 3.11Å |
| 239 | L | 32.5 | Very low | 36.8 | Very low | 110 Ų | 110 | 76.1 Ų | 76.1 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.2 | -44.2 | 172.3 | -89.9 | 149.8 | 0 | 0 | 0 | 112.2 | A235 S241 R242 C243 | A235-L239 PolarHBondContact O-N 3.12Å; L239-S241 PolarHBondContact O-N 3.34Å; L239-R242 PolarHBondContact O-N 2.97Å; L239-C243 PolarHBondContact O-N 3.36Å; L239-C243 PolarHBondContact O-SG 2.98Å; L239-C243 VanDerWaalsContact O-SG 3.4Å |
| 240 | F | 35.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 75.9 Ų | 75.9 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.3 | -168.1 | -100 | 0 | 0 | 0 | 112.6 | G236 A237 C243 V244 | G236-F240 VanDerWaalsContact O-CB 3.31Å; G236-F240 WeakPolarHBondContact O-CB 3.35Å; G236-F240 PolarHBondContact O-N 3.41Å; A237-F240 PolarHBondContact O-N 3.33Å; F240-C243 WeakPolarHBondContact O-CB 3.25Å; F240-C243 PolarHBondContact O-N 3.47Å; F240-V244 PolarHBondContact O-N 2.99Å; F240-V244 VanDerWaalsContact O-N 3.17Å |
| 241 | S | 38.8 | Very low | 37.7 | Very low | 30 Ų | 30 | 72.4 Ų | 72.4 | 21% | 0.21 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -76.6 | -34.4 | 178.2 | -167.7 | 0 | 0 | 0 | 0 | 113.3 | S171 A237 L239 C243 V244 T245 | S171-S241 WeakPolarHBondContact CB-OG 3.43Å; A237-S241 VanDerWaalsContact O-CB 3.31Å; A237-S241 WeakPolarHBondContact O-CB 3.35Å; A237-S241 PolarHBondContact O-N 3.09Å; L239-S241 PolarHBondContact O-N 3.34Å; S241-C243 VanDerWaalsContact C-N 3.26Å; S241-C243 PolarHBondContact O-N 2.81Å; S241-V244 PolarHBondContact O-N 3Å; S241-T245 PolarHBondContact O-N 2.86Å; S241-T245 PolarHBondContact O-OG1 3.45Å |
| 242 | R | 37.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 73 Ų | 73 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.2 | -39.4 | 168.5 | -76.8 | 177.3 | 92 | -166.4 | 6.6 | 110.3 | A238 L239 V244 V246 | A238-R242 WeakPolarHBondContact O-CB 3.39Å; A238-R242 VanDerWaalsContact O-CG 3.28Å; A238-R242 WeakPolarHBondContact O-CG 3.4Å; A238-R242 PolarHBondContact O-N 3.35Å; A238-R242 VanDerWaalsContact O-N 3.11Å; L239-R242 PolarHBondContact O-N 2.97Å; R242-V244 PolarHBondContact O-N 2.85Å; R242-V246 WeakPolarHBondContact O-CB 3.36Å; R242-V246 WeakPolarHBondContact O-CG2 3.41Å; R242-V246 PolarHBondContact O-N 2.89Å |
| 243 | C | 41.1 | Very low | 38.3 | Very low | 51 Ų | 51 | 72.5 Ų | 72.5 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | L239 F240 S241 F247 | L239-C243 PolarHBondContact O-N 3.36Å; L239-C243 PolarHBondContact O-SG 2.98Å; L239-C243 VanDerWaalsContact O-SG 3.4Å; F240-C243 WeakPolarHBondContact O-CB 3.25Å; F240-C243 PolarHBondContact O-N 3.47Å; S241-C243 VanDerWaalsContact C-N 3.26Å; S241-C243 PolarHBondContact O-N 2.81Å; C243-F247 VanDerWaalsContact O-CA 3.31Å; C243-F247 WeakPolarHBondContact O-CA 3.46Å; C243-F247 WeakPolarHBondContact O-CB 3.39Å; C243-F247 PolarHBondContact O-N 3.09Å |
| 244 | V | 43.7 | Very low | 38.4 | Very low | 60 Ų | 60 | 70 Ų | 70 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.6 | -41.4 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 113.2 | F240 S241 R242 F247 H248 | F240-V244 PolarHBondContact O-N 2.99Å; F240-V244 VanDerWaalsContact O-N 3.17Å; S241-V244 PolarHBondContact O-N 3Å; R242-V244 PolarHBondContact O-N 2.85Å; V244-F247 PolarHBondContact O-N 3.25Å; V244-H248 PolarHBondContact O-N 2.95Å |
| 245 | T | 43.2 | Very low | 38.5 | Very low | 32 Ų | 32 | 71.2 Ų | 71.2 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 178.3 | -32.7 | 0 | 0 | 0 | 0 | 111.4 | S241 S249 | S241-T245 PolarHBondContact O-N 2.86Å; S241-T245 PolarHBondContact O-OG1 3.45Å; T245-S249 PolarHBondContact O-N 2.8Å; T245-S249 VanDerWaalsContact O-N 3.14Å; T245-S249 PolarHBondContact O-OG 3.46Å |
| 246 | V | 44.7 | Very low | 38.7 | Very low | 80 Ų | 80 | 75 Ų | 75 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 170.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | R242 S249 L250 | R242-V246 WeakPolarHBondContact O-CB 3.36Å; R242-V246 WeakPolarHBondContact O-CG2 3.41Å; R242-V246 PolarHBondContact O-N 2.89Å; V246-S249 PolarHBondContact O-N 2.98Å; V246-S249 PolarHBondContact O-OG 3.15Å; V246-L250 WeakPolarHBondContact O-CA 3.16Å; V246-L250 WeakPolarHBondContact O-CB 3.38Å; V246-L250 PolarHBondContact O-N 2.82Å |
| 247 | F | 46.8 | Very low | 38.7 | Very low | 75 Ų | 75 | 77.6 Ų | 77.6 | 33% | 0.329 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 179.5 | -177.4 | -90.4 | 0 | 0 | 0 | 111.5 | C243 V244 A251 M284 L288 | C243-F247 VanDerWaalsContact O-CA 3.31Å; C243-F247 WeakPolarHBondContact O-CA 3.46Å; C243-F247 WeakPolarHBondContact O-CB 3.39Å; C243-F247 PolarHBondContact O-N 3.09Å; V244-F247 PolarHBondContact O-N 3.25Å; F247-A251 WeakPolarHBondContact O-CB 3.39Å; F247-A251 PolarHBondContact O-N 3.49Å; F247-M284 HydrophobicContact CE1-CE 4.39Å; F247-M284 HydrophobicContact CE2-CE 3.59Å; F247-M284 HydrophobicContact CZ-CE 3.24Å; F247-M284 HydrophobicContact CZ-SD 4.25Å; F247-L288 HydrophobicContact CD2-CD1 3.91Å; F247-L288 HydrophobicContact CE2-CD1 4.22Å |
| 248 | H | 44.4 | Very low | 38.8 | Very low | 80 Ų | 80 | 80.2 Ų | 80.2 | 37% | 0.37 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 174.3 | -107.8 | -87.3 | 0 | 0 | 0 | 112.7 | V244 R252 | V244-H248 PolarHBondContact O-N 2.95Å; H248-R252 WeakPolarHBondContact O-CB 3.26Å; H248-R252 PolarHBondContact O-N 2.86Å; H248-R252 VanDerWaalsContact O-N 3.16Å |
| 249 | S | 38.3 | Very low | 38.8 | Very low | 68 Ų | 68 | 87 Ų | 87 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -73.4 | -38.8 | 177.4 | 70.8 | 0 | 0 | 0 | 0 | 112.5 | T245 V246 R252 N253 | T245-S249 PolarHBondContact O-N 2.8Å; T245-S249 VanDerWaalsContact O-N 3.14Å; T245-S249 PolarHBondContact O-OG 3.46Å; V246-S249 PolarHBondContact O-N 2.98Å; V246-S249 PolarHBondContact O-OG 3.15Å; S249-R252 PolarHBondContact O-N 3.42Å; S249-N253 VanDerWaalsContact O-CB 3.3Å; S249-N253 WeakPolarHBondContact O-CB 3.45Å; S249-N253 PolarHBondContact O-N 2.83Å |
| 250 | L | 39.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 84.9 Ų | 84.9 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 175.9 | -166.2 | 82.5 | 0 | 0 | 0 | 111.4 | V246 R252 N253 I254 | V246-L250 WeakPolarHBondContact O-CA 3.16Å; V246-L250 WeakPolarHBondContact O-CB 3.38Å; V246-L250 PolarHBondContact O-N 2.82Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 3.17Å; L250-N253 PolarHBondContact O-N 3.42Å; L250-I254 HydrophobicContact CD2-CD1 4.28Å; L250-I254 HydrophobicContact CG-CD1 3.96Å; L250-I254 WeakPolarHBondContact O-CB 3.36Å; L250-I254 WeakPolarHBondContact O-CG1 3.49Å; L250-I254 PolarHBondContact O-N 3.45Å |
| 251 | A | 41.3 | Very low | 38.6 | Very low | 38 Ų | 38 | 84.4 Ų | 84.4 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F247 C255 | F247-A251 WeakPolarHBondContact O-CB 3.39Å; F247-A251 PolarHBondContact O-N 3.49Å; A251-C255 WeakPolarHBondContact O-CB 3.29Å; A251-C255 PolarHBondContact O-N 2.85Å; A251-C255 PolarHBondContact O-SG 2.81Å |
| 252 | R | 39.8 | Very low | 38.2 | Very low | 75 Ų | 75 | 91.8 Ų | 91.8 | 28% | 0.283 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -40.4 | 175.7 | -165.4 | 179.9 | -60.8 | 146.4 | 9 | 112.6 | E13 H248 S249 L250 C255 Q256 | E13-R252 VanDerWaalsContact CD-CZ 3.5Å; E13-R252 IonicContact OE1-CZ 3.37Å; E13-R252 IonicContact OE1-NH1 3.4Å; E13-R252 PolarHBondContact OE1-NH1 3.21Å; E13-R252 IonicContact OE1-NH2 2.67Å; E13-R252 PolarHBondContact OE1-NH2 3.09Å; E13-R252 IonicContact OE2-CZ 2.91Å; E13-R252 IonicContact OE2-NH1 3.37Å; E13-R252 PolarHBondContact OE2-NH1 2.87Å; E13-R252 IonicContact OE2-NH2 3.14Å; E13-R252 PolarHBondContact OE2-NH2 3.36Å; H248-R252 WeakPolarHBondContact O-CB 3.26Å; H248-R252 PolarHBondContact O-N 2.86Å; H248-R252 VanDerWaalsContact O-N 3.16Å; S249-R252 PolarHBondContact O-N 3.42Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 3.17Å; R252-C255 PolarHBondContact O-N 2.84Å; R252-Q256 WeakPolarHBondContact O-CG 3.41Å; R252-Q256 PolarHBondContact O-N 2.96Å |
| 253 | N | 35.1 | Very low | 38 | Very low | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.5 | -163 | -62.2 | 0 | 0 | 0 | 111.7 | S249 L250 N257 | S249-N253 VanDerWaalsContact O-CB 3.3Å; S249-N253 WeakPolarHBondContact O-CB 3.45Å; S249-N253 PolarHBondContact O-N 2.83Å; L250-N253 PolarHBondContact O-N 3.42Å; N253-N257 WeakPolarHBondContact O-CB 3.47Å; N253-N257 PolarHBondContact O-N 2.84Å; N253-N257 PolarHBondContact O-ND2 2.96Å; N253-N257 PolarHBondContact OD1-ND2 3.08Å |
| 254 | I | 36.4 | Very low | 37.6 | Very low | 93 Ų | 93 | 99.4 Ų | 99.4 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 172.5 | -68.1 | 167 | 0 | 0 | 0 | 110.6 | L250 Q256 N257 V258 | L250-I254 HydrophobicContact CD2-CD1 4.28Å; L250-I254 HydrophobicContact CG-CD1 3.96Å; L250-I254 WeakPolarHBondContact O-CB 3.36Å; L250-I254 WeakPolarHBondContact O-CG1 3.49Å; L250-I254 PolarHBondContact O-N 3.45Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.37Å; I254-N257 PolarHBondContact O-N 3.1Å; I254-V258 HydrophobicContact CG2-CG2 3.92Å; I254-V258 WeakPolarHBondContact O-CB 3.31Å; I254-V258 WeakPolarHBondContact O-CG2 3.47Å; I254-V258 PolarHBondContact O-N 3.43Å |
| 255 | C | 36.3 | Very low | 36.9 | Very low | 85 Ų | 85 | 105.8 Ų | 105.8 | 57% | 0.574 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.3 | -36.1 | 177.9 | -75.1 | 0 | 0 | 0 | 0 | 113.5 | A251 R252 | A251-C255 WeakPolarHBondContact O-CB 3.29Å; A251-C255 PolarHBondContact O-N 2.85Å; A251-C255 PolarHBondContact O-SG 2.81Å; R252-C255 PolarHBondContact O-N 2.84Å |
| 256 | Q | 35.7 | Very low | 36.3 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.8 | -29.9 | 177.1 | -72.3 | 175.2 | -16.4 | 0 | 0 | 112.9 | R252 I254 | R252-Q256 WeakPolarHBondContact O-CG 3.41Å; R252-Q256 PolarHBondContact O-N 2.96Å; I254-Q256 VanDerWaalsContact C-N 3.34Å; I254-Q256 PolarHBondContact O-N 3.37Å |
| 257 | N | 32.6 | Very low | 35.8 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -88 | -15.4 | 177.8 | -76.9 | -37.8 | 0 | 0 | 0 | 114.3 | N253 I254 G260 | N253-N257 WeakPolarHBondContact O-CB 3.47Å; N253-N257 PolarHBondContact O-N 2.84Å; N253-N257 PolarHBondContact O-ND2 2.96Å; N253-N257 PolarHBondContact OD1-ND2 3.08Å; I254-N257 PolarHBondContact O-N 3.1Å; N257-G260 PolarHBondContact O-N 3.23Å |
| 258 | V | 35.5 | Very low | 35 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -79.5 | -16.2 | 179.1 | 167.2 | 0 | 0 | 0 | 0 | 113.1 | I254 G260 | I254-V258 HydrophobicContact CG2-CG2 3.92Å; I254-V258 WeakPolarHBondContact O-CB 3.31Å; I254-V258 WeakPolarHBondContact O-CG2 3.47Å; I254-V258 PolarHBondContact O-N 3.43Å; V258-G260 PolarHBondContact O-N 2.75Å |
| 259 | E | 35.2 | Very low | 34.3 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 84% | 0.836 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -16.9 | 166 | -78.2 | -172.9 | 155.9 | 0 | 0 | 112.8 | ||
| 260 | G | 32.8 | Very low | 34.1 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -6.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N257 V258 | N257-G260 PolarHBondContact O-N 3.23Å; V258-G260 PolarHBondContact O-N 2.75Å |
| 261 | I | 31.8 | Very low | 33.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 54% | 0.544 | 64% | 0.643 | S | S | . | * | trans | -121.5 | 86.6 | -175 | -55 | 176.6 | 0 | 0 | 0 | 109.7 | D263 Y264 | I261-D263 VanDerWaalsContact C-N 3.26Å; I261-D263 PolarHBondContact O-N 2.79Å; I261-Y264 HydrophobicContact CG2-CD2 4.47Å | ||
| 262 | K | 30.6 | Very low | 33.2 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -3.1 | 175.4 | -83.3 | -174.6 | 174.6 | 178 | 0 | 115.1 | ||
| 263 | D | 34 | Very low | 32.8 | Very low | 152 Ų | 152 | 138 Ų | 138 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 18.2 | -168.1 | -88 | -12 | 0 | 0 | 0 | 117.2 | I261 | I261-D263 VanDerWaalsContact C-N 3.26Å; I261-D263 PolarHBondContact O-N 2.79Å |
| 264 | Y | 33.1 | Very low | 32.7 | Very low | 214 Ų | 214 | 138.6 Ų | 138.6 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | trans | -120.2 | 49.1 | 170.1 | -93.5 | -91.7 | 0 | 0 | 0 | 112.5 | I261 G266 | I261-Y264 HydrophobicContact CG2-CD2 4.47Å; Y264-G266 PolarHBondContact O-N 2.76Å; Y264-G266 VanDerWaalsContact O-N 3.15Å | ||
| 265 | Q | 28.8 | Very low | 32.6 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 91% | 0.907 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 23.3 | 178.6 | -80.2 | -139.1 | -30.1 | 0 | 0 | 115.8 | ||
| 266 | G | 30.6 | Very low | 32.5 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -35.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y264 | Y264-G266 PolarHBondContact O-N 2.76Å; Y264-G266 VanDerWaalsContact O-N 3.15Å |
| 267 | K | 32.6 | Very low | 32.8 | Very low | 195 Ų | 195 | 145.1 Ų | 145.1 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -144.8 | -1.6 | -156.5 | -140.1 | 174.9 | -179.8 | 179.2 | 0 | 119.5 | ||
| 268 | M | 31.2 | Very low | 32.9 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | trans | -141.9 | 87.8 | 176.4 | -83.6 | -64.3 | 175.1 | 0 | 0 | 111 | W270 | M268-W270 HydrophobicContact CE-CZ2 4.21Å; M268-W270 PolarHBondContact O-N 2.82Å; M268-W270 HydrophobicContact SD-CH2 4.29Å; M268-W270 HydrophobicContact SD-CZ2 3.52Å; M268-W270 VanDerWaalsContact SD-CZ2 3.52Å | ||
| 269 | R | 29.3 | Very low | 32.8 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -88.6 | 90.5 | 168.7 | -168.3 | 170.8 | 77.4 | 177.5 | 4.9 | 108.4 | N271 | R269-N271 PolarHBondContact O-N 3.38Š| ||
| 270 | W | 34.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 58% | 0.583 | 72% | 0.715 | S | S | * | * | trans | -79.7 | 106.5 | 170.5 | -62 | 104.3 | 0 | 0 | 0 | 108.9 | M268 L272 F275 | M268-W270 HydrophobicContact CE-CZ2 4.21Å; M268-W270 PolarHBondContact O-N 2.82Å; M268-W270 HydrophobicContact SD-CH2 4.29Å; M268-W270 HydrophobicContact SD-CZ2 3.52Å; M268-W270 VanDerWaalsContact SD-CZ2 3.52Å; W270-L272 PolarHBondContact O-N 2.91Å; W270-F275 HydrophobicContact CE3-CZ 4.29Å | ||
| 271 | N | 28.1 | Very low | 33.7 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 55% | 0.551 | 71% | 0.706 | S | S | * | * | trans | -73.2 | 106.1 | 167.1 | -94.6 | -13.1 | 0 | 0 | 0 | 108.2 | R269 E273 | R269-N271 PolarHBondContact O-N 3.38Å; N271-E273 PolarHBondContact O-N 2.89Å | ||
| 272 | L | 33.6 | Very low | 34 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -7 | -178.5 | -120.8 | 77.7 | 0 | 0 | 0 | 113.8 | W270 | W270-L272 PolarHBondContact O-N 2.91Š|
| 273 | E | 32.5 | Very low | 34.5 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 0.7 | -170.6 | -67.3 | -174.1 | 157.6 | 0 | 0 | 114.8 | N271 | N271-E273 PolarHBondContact O-N 2.89Š|
| 274 | T | 32.4 | Very low | 34.8 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | trans | -143.6 | 56 | -173.8 | 18.3 | 0 | 0 | 0 | 0 | 113.7 | R280 | T274-R280 PolarHBondContact O-NH1 3.37Š| ||
| 275 | F | 33.8 | Very low | 35.2 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 43% | 0.43 | 64% | 0.637 | S | S | . | * | trans | -99.5 | 95.2 | 174.5 | -93 | -90.8 | 0 | 0 | 0 | 112.9 | W270 | W270-F275 HydrophobicContact CE3-CZ 4.29Š| ||
| 276 | E | 34.1 | Very low | 35.9 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | trans | -70.6 | 133.1 | 165.5 | -76.1 | -178.5 | 151.3 | 0 | 0 | 111.4 | N278 | E276-N278 PolarHBondContact O-N 3Š| ||
| 277 | K | 42 | Very low | 36.4 | Very low | 182 Ų | 182 | 128 Ų | 128 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -9 | -142.2 | -145.9 | 170.3 | -177.1 | 175.8 | 0 | 117.4 | ||
| 278 | N | 34.6 | Very low | 36.9 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 75% | 0.754 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | -19.4 | -168.2 | -72.5 | -38.2 | 0 | 0 | 0 | 116.8 | E276 | E276-N278 PolarHBondContact O-N 3Š|
| 279 | R | 34.6 | Very low | 37.3 | Very low | 205 Ų | 205 | 121.3 Ų | 121.3 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -30 | -175.7 | -169.2 | 172.4 | 170.9 | 163.6 | -1 | 113.4 | ||
| 280 | R | 42.3 | Very low | 37.9 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 38% | 0.381 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -87.8 | -15.1 | -173 | -69.8 | -177.2 | -171 | 149 | 7.8 | 115.2 | T274 S282 E283 M284 | T274-R280 PolarHBondContact O-NH1 3.37Å; R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 2.89Å; R280-E283 PolarHBondContact O-N 3.24Å; R280-M284 WeakPolarHBondContact O-CB 3.35Å; R280-M284 WeakPolarHBondContact O-CG 3.42Å; R280-M284 PolarHBondContact O-N 2.93Å |
| 281 | I | 43.2 | Very low | 38.2 | Very low | 91 Ų | 91 | 115.4 Ų | 115.4 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.6 | -38.6 | 175.6 | -62.5 | 175.1 | 0 | 0 | 0 | 109.9 | C285 | I281-C285 VanDerWaalsContact O-CB 3.27Å; I281-C285 WeakPolarHBondContact O-CB 3.29Å; I281-C285 PolarHBondContact O-N 3.1Å; I281-C285 PolarHBondContact O-SG 3.3Å |
| 282 | S | 37.7 | Very low | 38.5 | Very low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.3 | -42.1 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | R280 C285 S286 | R280-S282 VanDerWaalsContact C-N 3.27Å; R280-S282 PolarHBondContact O-N 2.89Å; S282-C285 PolarHBondContact O-N 2.97Å; S282-S286 PolarHBondContact O-N 3.07Å; S282-S286 PolarHBondContact O-OG 2.89Å |
| 283 | E | 41.8 | Very low | 38.5 | Very low | 99 Ų | 99 | 114 Ų | 114 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.3 | -41.2 | -179.8 | -69.1 | 169.2 | 174.7 | 0 | 0 | 111.1 | R280 S286 E287 | R280-E283 PolarHBondContact O-N 3.24Å; E283-S286 PolarHBondContact O-N 3.35Å; E283-E287 PolarHBondContact O-N 3.3Å |
| 284 | M | 40.3 | Very low | 38.5 | Very low | 62 Ų | 62 | 110 Ų | 110 | 31% | 0.305 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -36.1 | 175.9 | -66.7 | -178.1 | 74.6 | 0 | 0 | 112.7 | F247 R280 S286 E287 L288 | F247-M284 HydrophobicContact CE1-CE 4.39Å; F247-M284 HydrophobicContact CE2-CE 3.59Å; F247-M284 HydrophobicContact CZ-CE 3.24Å; F247-M284 HydrophobicContact CZ-SD 4.25Å; R280-M284 WeakPolarHBondContact O-CB 3.35Å; R280-M284 WeakPolarHBondContact O-CG 3.42Å; R280-M284 PolarHBondContact O-N 2.93Å; M284-S286 VanDerWaalsContact C-N 3.34Å; M284-E287 PolarHBondContact O-N 3.5Å; M284-L288 WeakPolarHBondContact O-CB 3.34Å; M284-L288 WeakPolarHBondContact O-CG 3.11Å; M284-L288 PolarHBondContact O-N 3.47Å |
| 285 | C | 42.1 | Very low | 38.5 | Very low | 34 Ų | 34 | 111.6 Ų | 111.6 | 23% | 0.23 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -63.2 | -39.9 | 170.9 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | I281 S282 L288 Q289 | I281-C285 VanDerWaalsContact O-CB 3.27Å; I281-C285 WeakPolarHBondContact O-CB 3.29Å; I281-C285 PolarHBondContact O-N 3.1Å; I281-C285 PolarHBondContact O-SG 3.3Å; S282-C285 PolarHBondContact O-N 2.97Å; C285-L288 PolarHBondContact O-N 3.01Å; C285-Q289 VanDerWaalsContact O-CB 3.3Å; C285-Q289 WeakPolarHBondContact O-CB 3.11Å; C285-Q289 PolarHBondContact O-N 3.06Å |
| 286 | S | 43.3 | Very low | 38.3 | Very low | 60 Ų | 60 | 115.4 Ų | 115.4 | 42% | 0.42 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.5 | -39.7 | 175.7 | -67.6 | 0 | 0 | 0 | 0 | 112.9 | S282 E283 M284 Q289 L290 | S282-S286 PolarHBondContact O-N 3.07Å; S282-S286 PolarHBondContact O-OG 2.89Å; E283-S286 PolarHBondContact O-N 3.35Å; M284-S286 VanDerWaalsContact C-N 3.34Å; S286-Q289 PolarHBondContact O-N 3Å; S286-L290 WeakPolarHBondContact O-CG 3.47Å; S286-L290 PolarHBondContact O-N 3.44Å; S286-L290 VanDerWaalsContact O-N 3.16Å |
| 287 | E | 41.8 | Very low | 38.3 | Very low | 122 Ų | 122 | 113.8 Ų | 113.8 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.9 | -37.7 | 175.1 | -75.5 | -173.9 | 165.7 | 0 | 0 | 112.7 | E283 M284 Q289 L290 L291 | E283-E287 PolarHBondContact O-N 3.3Å; M284-E287 PolarHBondContact O-N 3.5Å; E287-Q289 VanDerWaalsContact C-N 3.34Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 3.16Å; E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.1Å |
| 288 | L | 42.6 | Very low | 37.7 | Very low | 60 Ų | 60 | 118.4 Ų | 118.4 | 31% | 0.314 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -34.1 | 173.9 | -75.8 | 168.2 | 0 | 0 | 0 | 112.5 | F247 M284 C285 L290 L291 L292 | F247-L288 HydrophobicContact CD2-CD1 3.91Å; F247-L288 HydrophobicContact CE2-CD1 4.22Å; M284-L288 WeakPolarHBondContact O-CB 3.34Å; M284-L288 WeakPolarHBondContact O-CG 3.11Å; M284-L288 PolarHBondContact O-N 3.47Å; C285-L288 PolarHBondContact O-N 3.01Å; L288-L290 VanDerWaalsContact C-N 3.27Å; L288-L290 PolarHBondContact O-N 3.19Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-L291 PolarHBondContact O-N 3.46Å; L288-L292 WeakPolarHBondContact O-CG 3.25Å; L288-L292 PolarHBondContact O-N 2.98Å |
| 289 | Q | 39.3 | Very low | 37.8 | Very low | 135 Ų | 135 | 117.3 Ų | 117.3 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.3 | -31 | 175 | -157.8 | 167 | 7.4 | 0 | 0 | 111.8 | C285 S286 E287 H293 | C285-Q289 VanDerWaalsContact O-CB 3.3Å; C285-Q289 WeakPolarHBondContact O-CB 3.11Å; C285-Q289 PolarHBondContact O-N 3.06Å; S286-Q289 PolarHBondContact O-N 3Å; E287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-H293 PolarHBondContact O-N 3.27Å |
| 290 | L | 42.5 | Very low | 38 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.7 | -35 | 171.8 | -70.2 | 166.8 | 0 | 0 | 0 | 112.6 | S286 E287 L288 | S286-L290 WeakPolarHBondContact O-CG 3.47Å; S286-L290 PolarHBondContact O-N 3.44Å; S286-L290 VanDerWaalsContact O-N 3.16Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 3.16Å; L288-L290 VanDerWaalsContact C-N 3.27Å; L288-L290 PolarHBondContact O-N 3.19Å |
| 291 | L | 39.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -74.4 | -28.4 | 177.2 | -77.5 | 164.8 | 0 | 0 | 0 | 113.9 | E287 L288 P294 | E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.1Å; L288-L291 HydrophobicContact CD2-CD1 4.46Å; L288-L291 PolarHBondContact O-N 3.46Å; L291-P294 VanDerWaalsContact O-CD 3.27Å; L291-P294 WeakPolarHBondContact O-CD 3.3Å |
| 292 | L | 35 | Very low | 37.4 | Very low | 80 Ų | 80 | 114.6 Ų | 114.6 | 42% | 0.419 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -85.2 | -15.2 | 177.7 | -73.8 | 163.4 | 0 | 0 | 0 | 113.5 | L288 L295 | L288-L292 WeakPolarHBondContact O-CG 3.25Å; L288-L292 PolarHBondContact O-N 2.98Å; L292-L295 HydrophobicContact CD2-CD1 4.48Å; L292-L295 PolarHBondContact O-N 2.92Å; L292-L295 VanDerWaalsContact O-N 3.16Å |
| 293 | H | 33.1 | Very low | 37.4 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 63% | 0.634 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -62.1 | -28.2 | -178 | -141.3 | -72.7 | 0 | 0 | 0 | 115.7 | Q289 | Q289-H293 PolarHBondContact O-N 3.27Š|
| 294 | P | 32.5 | Very low | 37.1 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -80.7 | -8.8 | 174.7 | -11.4 | 28.1 | 0 | 0 | 0 | 114.6 | L291 | L291-P294 VanDerWaalsContact O-CD 3.27Å; L291-P294 WeakPolarHBondContact O-CD 3.3Å |
| 295 | L | 33 | Very low | 36.9 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -95.7 | 2.5 | -173.9 | -76.1 | 163 | 0 | 0 | 0 | 114.2 | L292 | L292-L295 HydrophobicContact CD2-CD1 4.48Å; L292-L295 PolarHBondContact O-N 2.92Å; L292-L295 VanDerWaalsContact O-N 3.16Å |
| 296 | F | 29.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -120.7 | 23.3 | 179.3 | -80.9 | -78.9 | 0 | 0 | 0 | 114.1 | ||
| 297 | I | 32.7 | Very low | 35.9 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 68% | 0.677 | 66% | 0.661 | S | S | * | * | trans | -122.2 | 85.3 | 162.7 | -55 | 177.9 | 0 | 0 | 0 | 107.2 | ||||
| 298 | F | 29.5 | Very low | 35.4 | Very low | 279 Ų | 279 | 135.5 Ų | 135.5 | 100% | 1.224 | 67% | 0.67 | S | S | * | * | trans | -173.4 | 0 | 137.6 | -95 | -67.9 | 0 | 0 | 0 | 108.8 |
Retrieved 298 of 298 residues in 92.6 ms
(Link to these results)