| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 72.9 | Confident | 78 | Confident | 139 Ų | 139 | 44.1 Ų | 44.1 | 69% | 0.685 | 22% | 0.221 | S | C | * | . | 0 | 147.7 | 0 | -62.6 | 178.9 | -169 | 0 | 0 | 111 | L45 D46 V117 F162 | M1-L45 CarbonylContact C-O 3.08Å; M1-L45 WeakPolarHBondContact CA-O 3.4Å; M1-L45 VanDerWaalsContact CB-O 3.23Å; M1-L45 WeakPolarHBondContact CB-O 3.46Å; M1-D46 WeakPolarHBondContact CA-O 3.38Å; M1-D46 PolarHBondContact N-O 3.02Å; M1-V117 HydrophobicContact CE-CG2 4.1Å; M1-V117 HydrophobicContact CG-CG2 4.23Å; M1-V117 HydrophobicContact SD-CG2 3.94Å; M1-F162 HydrophobicContact CB-CE1 3.99Å; M1-F162 HydrophobicContact CB-CZ 3.97Å; M1-F162 HydrophobicContact SD-CE1 3.9Å | |||
| 2 | A | 80.2 | Confident | 76.4 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y4 F44 L45 | A2-Y4 HydrophobicContact CB-CE2 4Å; A2-F44 WeakPolarHBondContact O-CA 3.32Å; A2-L45 PolarHBondContact N-O 2.85Å; A2-L45 PolarHBondContact O-N 2.84Å |
| 3 | V | 85.1 | Confident | 74.9 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 34% | 0.339 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.8 | -179 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | Y42 L43 F44 F162 | V3-Y42 HydrophobicContact CG1-CD1 4.07Å; V3-L43 WeakPolarHBondContact CA-O 3.42Å; V3-F44 HydrophobicContact CG1-CE1 4.3Å; V3-F44 HydrophobicContact CG1-CZ 4.25Å; V3-F44 HydrophobicContact CG2-CD1 3.54Å; V3-F44 HydrophobicContact CG2-CE1 3.53Å; V3-F44 HydrophobicContact CG2-CG 4.28Å; V3-F44 HydrophobicContact CG2-CZ 4.29Å; V3-F162 HydrophobicContact CG2-CE2 3.39Å; V3-F162 HydrophobicContact CG2-CZ 3.35Å |
| 4 | Y | 85.7 | Confident | 73.1 | Confident | 67 Ų | 67 | 40 Ų | 40 | 26% | 0.263 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.5 | 175.5 | -62.4 | -92.9 | 0 | 0 | 0 | 109.4 | A2 L43 L45 L51 | A2-Y4 HydrophobicContact CB-CE2 4Å; Y4-L43 PolarHBondContact N-O 3.34Å; Y4-L43 PolarHBondContact O-N 3.45Å; Y4-L45 HydrophobicContact CD2-CD1 4.24Å; Y4-L45 HydrophobicContact CD2-CG 4.26Å; Y4-L45 HydrophobicContact CE2-CD1 3.7Å; Y4-L45 HydrophobicContact CE2-CG 4.08Å; Y4-L51 HydrophobicContact CD1-CB 4.27Å; Y4-L51 HydrophobicContact CD1-CD2 4Å; Y4-L51 HydrophobicContact CE1-CB 3.81Å; Y4-L51 HydrophobicContact CE1-CD2 4.29Å; Y4-L51 HydrophobicContact CE2-CB 4.16Å; Y4-L51 HydrophobicContact CG-CD2 4.37Å; Y4-L51 PolarHBondContact OH-N 3.47Å |
| 5 | R | 86.8 | Confident | 71.6 | Confident | 59 Ų | 59 | 38.7 Ų | 38.7 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.3 | 169.9 | -60.3 | -175.2 | 74.7 | -176.5 | 5.8 | 108.7 | F7 C40 F41 Y42 E89 | R5-F7 HydrophobicContact CB-CE1 4.37Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 HydrophobicContact CB-CZ 3.69Å; R5-C40 PolarHBondContact NE-SG 3.32Å; R5-C40 PolarHBondContact NH2-SG 3.23Å; R5-F41 WeakPolarHBondContact CA-O 3.34Å; R5-Y42 HydrophobicContact CG-CD1 4.26Å; R5-Y42 HydrophobicContact CG-CE1 4.04Å; R5-Y42 PolarHBondContact NE-OH 2.81Å; R5-Y42 PolarHBondContact NH2-OH 2.9Å; R5-E89 IonicContact CZ-OE2 3.84Å; R5-E89 IonicContact NH2-OE1 2.76Å; R5-E89 PolarHBondContact NH2-OE1 2.82Å; R5-E89 IonicContact NH2-OE2 2.74Å; R5-E89 PolarHBondContact NH2-OE2 2.86Å |
| 6 | I | 84.2 | Confident | 69.8 | Low | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.4 | 176 | -60.6 | 170.5 | 0 | 0 | 0 | 107.4 | F41 L43 F63 L72 | I6-F41 HydrophobicContact CB-CB 4.35Å; I6-F41 PolarHBondContact N-O 3.16Å; I6-F41 PolarHBondContact O-N 2.89Å; I6-L43 HydrophobicContact CD1-CB 4.45Å; I6-L43 HydrophobicContact CD1-CD2 3.99Å; I6-F63 HydrophobicContact CD1-CD2 4.18Å; I6-F63 HydrophobicContact CD1-CE2 3.77Å; I6-L72 HydrophobicContact CG2-CD2 4.04Å |
| 7 | F | 83.7 | Confident | 68.3 | Low | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.6 | -176.5 | -55.1 | -76.5 | 0 | 0 | 0 | 110.8 | R5 E38 Y39 C40 L72 S73 S76 | R5-F7 HydrophobicContact CB-CE1 4.37Å; R5-F7 HydrophobicContact CB-CE2 3.97Å; R5-F7 HydrophobicContact CB-CZ 3.69Å; F7-E38 VanDerWaalsContact CD1-OE1 3.31Å; F7-E38 WeakPolarHBondContact CD1-OE1 3.47Å; F7-Y39 WeakPolarHBondContact CA-O 3.28Å; F7-C40 HydrophobicContact CD1-CB 3.76Å; F7-C40 HydrophobicContact CE1-CB 3.71Å; F7-C40 VanDerWaalsContact CE1-SG 3.54Å; F7-L72 WeakPolarHBondContact O-CA 3.18Å; F7-S73 PolarHBondContact N-O 3.1Å; F7-S73 PolarHBondContact O-N 3.33Å; F7-S76 VanDerWaalsContact CD2-N 3.28Å |
| 8 | S | 77.2 | Confident | 66.9 | Low | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 126.7 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 109.9 | E38 Y39 H65 | S8-E38 CarbonylContact O-C 3.6Å; S8-E38 WeakPolarHBondContact O-CA 3.2Å; S8-E38 WeakPolarHBondContact O-CB 3.48Å; S8-Y39 PolarHBondContact N-O 2.82Å; S8-Y39 PolarHBondContact O-N 3.48Å; S8-H65 PolarHBondContact OG-CD2 3.39Å |
| 9 | W | 70 | Confident | 65.5 | Low | 68 Ų | 68 | 46.1 Ų | 46.1 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -124.4 | 141 | 178.9 | 177.1 | 94.8 | 0 | 0 | 0 | 110.9 | E38 A70 | W9-E38 HydrophobicContact CB-CB 4.21Å; W9-A70 WeakPolarHBondContact O-CA 3.36Å |
| 10 | P | 65.4 | Low | 64.1 | Low | 31 Ų | 31 | 46.2 Ų | 46.2 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | cis | -82.3 | 159 | -5.6 | 34.4 | -34.9 | 0 | 0 | 0 | 112.5 | F67 | P10-F67 HydrophobicContact CG-CD2 4.46Å; P10-F67 HydrophobicContact CG-CE1 4.47Å; P10-F67 HydrophobicContact CG-CE2 3.57Å; P10-F67 HydrophobicContact CG-CZ 3.54Å |
| 11 | A | 67.3 | Low | 62.9 | Low | 8 Ų | 8 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -92.3 | 145.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A37 Y39 V123 | A11-A37 HydrophobicContact CB-CB 3.83Å; A11-A37 PolarHBondContact N-O 3.11Å; A11-Y39 HydrophobicContact CB-CD1 3.61Å; A11-Y39 HydrophobicContact CB-CD2 3.77Å; A11-Y39 HydrophobicContact CB-CE1 3.53Å; A11-Y39 HydrophobicContact CB-CE2 3.72Å; A11-Y39 HydrophobicContact CB-CG 3.7Å; A11-V123 HydrophobicContact CB-CG1 4.15Å |
| 12 | E | 58 | Low | 61.1 | Low | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 128.1 | 169.7 | -67.5 | -159 | 100.4 | 0 | 0 | 111.8 | Y39 S1110 G1112 I1113 L1123 | E12-Y39 PolarHBondContact N-OH 3.36Å; E12-Y39 PolarHBondContact O-OH 3.42Å; E12-Y39 VanDerWaalsContact O-OH 3.13Å; E12-S1110 WeakPolarHBondContact OE2-CB 3.19Å; E12-S1110 PolarHBondContact OE2-OG 2.85Å; E12-G1112 WeakPolarHBondContact OE1-CA 3.24Å; E12-I1113 HydrophobicContact CB-CD1 4.22Å; E12-I1113 HydrophobicContact CB-CG1 4.03Å; E12-I1113 HydrophobicContact CG-CD1 3.93Å; E12-I1113 HydrophobicContact CG-CG1 4Å; E12-I1113 WeakPolarHBondContact OE1-CB 2.92Å; E12-I1113 WeakPolarHBondContact OE1-CG1 3.44Å; E12-I1113 PolarHBondContact OE1-N 2.86Å; E12-L1123 VanDerWaalsContact CD-CB 3.43Å; E12-L1123 VanDerWaalsContact CD-CD2 3.42Å; E12-L1123 HydrophobicContact CG-CB 4.36Å; E12-L1123 HydrophobicContact CG-CD1 3.81Å; E12-L1123 HydrophobicContact CG-CD2 3.38Å; E12-L1123 HydrophobicContact CG-CG 3.99Å; E12-L1123 WeakPolarHBondContact OE1-CB 3.37Å; E12-L1123 VanDerWaalsContact OE1-CD1 3.26Å; E12-L1123 WeakPolarHBondContact OE1-CD1 3.46Å; E12-L1123 VanDerWaalsContact OE2-CB 3.31Å; E12-L1123 WeakPolarHBondContact OE2-CB 3.48Å |
| 13 | V | 56.9 | Low | 58.9 | Low | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | trans | -145.5 | 129.9 | 167.4 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | A37 V123 Y125 L146 | V13-A37 HydrophobicContact CG2-CB 4.05Å; V13-V123 HydrophobicContact CG2-CG1 3.8Å; V13-Y125 HydrophobicContact CB-CE1 4.17Å; V13-Y125 HydrophobicContact CG1-CE1 3.97Å; V13-Y125 HydrophobicContact CG2-CE1 3.68Å; V13-L146 HydrophobicContact CG1-CD1 4.21Å; V13-L146 HydrophobicContact CG1-CD2 3.55Å | ||
| 14 | S | 50.5 | Low | 56.5 | Low | 45 Ų | 45 | 49.1 Ų | 49.1 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | trans | -107.7 | 117.3 | 178.9 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | L | 49.9 | Very low | 54 | Low | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -84.6 | -31.5 | 177.5 | -64 | -160.2 | 0 | 0 | 0 | 113.8 | G17 K18 F19 F35 L146 | L15-G17 PolarHBondContact O-N 2.61Å; L15-K18 PolarHBondContact O-N 3.19Å; L15-F19 HydrophobicContact CB-CD2 3.95Å; L15-F19 HydrophobicContact CB-CE2 4.21Å; L15-F19 HydrophobicContact CD1-CD2 4.26Å; L15-F19 HydrophobicContact CD1-CE2 3.8Å; L15-F19 HydrophobicContact CD2-CE2 4.23Å; L15-F19 HydrophobicContact CG-CE2 4.3Å; L15-F19 PolarHBondContact O-N 3.43Å; L15-F35 HydrophobicContact CD1-CD1 3.92Å; L15-F35 HydrophobicContact CD1-CE1 3.23Å; L15-F35 HydrophobicContact CD1-CZ 3.73Å; L15-F35 HydrophobicContact CD2-CE1 4.43Å; L15-F35 HydrophobicContact CD2-CZ 4.16Å; L15-F35 HydrophobicContact CG-CE1 3.67Å; L15-F35 HydrophobicContact CG-CE2 4.47Å; L15-F35 HydrophobicContact CG-CZ 3.58Å; L15-L146 HydrophobicContact CD2-CD1 4.06Å; L15-L146 HydrophobicContact CD2-CD2 3.57Å; L15-L146 HydrophobicContact CD2-CG 4.05Å | ||
| 16 | R | 43.6 | Very low | 51.4 | Low | 92 Ų | 92 | 60.2 Ų | 60.2 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.3 | -163 | -86.5 | -170.9 | 172.4 | -173.5 | -2.4 | 114.8 | T1114 F1116 | R16-T1114 WeakPolarHBondContact CD-O 3.22Å; R16-F1116 VanDerWaalsContact NH2-CD2 3.29Å; R16-F1116 VanDerWaalsContact NH2-CG 3.34Å |
| 17 | G | 44.1 | Very low | 49.1 | Very low | 28 Ų | 28 | 62.7 Ų | 62.7 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L15 C21 | L15-G17 PolarHBondContact O-N 2.61Å; G17-C21 PolarHBondContact O-SG 3.19Å; G17-C21 VanDerWaalsContact O-SG 3.4Å |
| 18 | K | 43.4 | Very low | 46.6 | Very low | 90 Ų | 90 | 71.3 Ų | 71.3 | 39% | 0.391 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -44.3 | -172.2 | -61.8 | -161.3 | 173.7 | -173.4 | 0 | 113.1 | L15 A20 C21 Q145 L146 | L15-K18 PolarHBondContact O-N 3.19Å; K18-A20 PolarHBondContact O-N 3.5Å; K18-A20 VanDerWaalsContact O-N 3.16Å; K18-C21 WeakPolarHBondContact O-CB 3.48Å; K18-C21 PolarHBondContact O-N 3.36Å; K18-C21 VanDerWaalsContact O-N 3.12Å; K18-Q145 HydrophobicContact CB-CB 4.26Å; K18-Q145 HydrophobicContact CD-CB 4.41Å; K18-Q145 WeakPolarHBondContact CD-O 3.44Å; K18-Q145 WeakPolarHBondContact CE-O 3.44Å; K18-Q145 PolarHBondContact NZ-O 2.93Å; K18-L146 PolarHBondContact NZ-O 2.86Å |
| 19 | F | 40.6 | Very low | 44.5 | Very low | 85 Ų | 85 | 76 Ų | 76 | 37% | 0.373 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -17.9 | 177.6 | -79.2 | -91 | 0 | 0 | 0 | 113.8 | L15 I142 Q145 | L15-F19 HydrophobicContact CB-CD2 3.95Å; L15-F19 HydrophobicContact CB-CE2 4.21Å; L15-F19 HydrophobicContact CD1-CD2 4.26Å; L15-F19 HydrophobicContact CD1-CE2 3.8Å; L15-F19 HydrophobicContact CD2-CE2 4.23Å; L15-F19 HydrophobicContact CG-CE2 4.3Å; L15-F19 PolarHBondContact O-N 3.43Å; F19-I142 HydrophobicContact CZ-CG1 3.96Å; F19-Q145 VanDerWaalsContact CD2-OE1 3.28Å |
| 20 | A | 37.4 | Very low | 43 | Very low | 48 Ų | 48 | 77.8 Ų | 77.8 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K18 E22 P358 | K18-A20 PolarHBondContact O-N 3.5Å; K18-A20 VanDerWaalsContact O-N 3.16Å; A20-E22 PolarHBondContact O-N 3.24Å; A20-P358 WeakPolarHBondContact O-CB 3.13Å; A20-P358 WeakPolarHBondContact O-CG 3.28Å |
| 21 | C | 37.3 | Very low | 41.8 | Very low | 62 Ų | 62 | 83 Ų | 83 | 42% | 0.419 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -73.4 | -23 | -168.1 | -71.5 | 0 | 0 | 0 | 0 | 114.7 | G17 K18 M1020 | G17-C21 PolarHBondContact O-SG 3.19Å; G17-C21 VanDerWaalsContact O-SG 3.4Å; K18-C21 WeakPolarHBondContact O-CB 3.48Å; K18-C21 PolarHBondContact O-N 3.36Å; K18-C21 VanDerWaalsContact O-N 3.12Å; C21-M1020 VanDerWaalsContact SG-CE 3.54Å |
| 22 | E | 35.3 | Very low | 40.9 | Very low | 135 Ų | 135 | 89.1 Ų | 89.1 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -109.1 | 112.4 | 175.6 | -63.7 | -161.1 | 179.5 | 0 | 0 | 110.2 | A20 T24 | A20-E22 PolarHBondContact O-N 3.24Å; E22-T24 PolarHBondContact O-N 3.29Å |
| 23 | G | 35.4 | Very low | 40.6 | Very low | 65 Ų | 65 | 90 Ų | 90 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | trans | -73.4 | 48.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q25 | G23-Q25 PolarHBondContact O-N 2.76Š| ||
| 24 | T | 33.5 | Very low | 40.9 | Very low | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | trans | -75.4 | 85.3 | 173.4 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | E22 Q26 T27 | E22-T24 PolarHBondContact O-N 3.29Å; T24-Q26 PolarHBondContact O-N 3.03Å; T24-T27 PolarHBondContact O-N 3Å; T24-T27 VanDerWaalsContact O-N 3.08Å; T24-T27 PolarHBondContact O-OG1 2.71Å; T24-T27 PolarHBondContact OG1-OG1 2.61Å | ||
| 25 | Q | 34.5 | Very low | 41.9 | Very low | 183 Ų | 183 | 98.6 Ų | 98.6 | 86% | 0.855 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 2.1 | 168.6 | -70 | -173.6 | -53.9 | 0 | 0 | 114.2 | G23 | G23-Q25 PolarHBondContact O-N 2.76Š|
| 26 | Q | 31.1 | Very low | 43.3 | Very low | 177 Ų | 177 | 100 Ų | 100 | 83% | 0.827 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -8 | 175.1 | -66.8 | -176.2 | -29.2 | 0 | 0 | 113.9 | T24 S29 | T24-Q26 PolarHBondContact O-N 3.03Å; Q26-S29 PolarHBondContact O-OG 3.03Å |
| 27 | T | 36.8 | Very low | 45.1 | Very low | 68 Ų | 68 | 96.1 Ų | 96.1 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -95.6 | 6.8 | -178.3 | 51 | 0 | 0 | 0 | 0 | 115 | T24 S29 L30 | T24-T27 PolarHBondContact O-N 3Å; T24-T27 VanDerWaalsContact O-N 3.08Å; T24-T27 PolarHBondContact O-OG1 2.71Å; T24-T27 PolarHBondContact OG1-OG1 2.61Å; T27-S29 PolarHBondContact O-N 2.83Å; T27-S29 VanDerWaalsContact O-N 3.07Å; T27-L30 HydrophobicContact CG2-CD1 4.2Å; T27-L30 PolarHBondContact O-N 3.24Å; T27-L30 VanDerWaalsContact O-N 3.07Å |
| 28 | E | 31 | Very low | 47 | Very low | 187 Ų | 187 | 94.9 Ų | 94.9 | 87% | 0.874 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -62.4 | -10.5 | 169.7 | -65.7 | -168.5 | 153 | 0 | 0 | 113.4 | ||
| 29 | S | 33.8 | Very low | 49 | Very low | 101 Ų | 101 | 91.5 Ų | 91.5 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -84.3 | -15.7 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | Q26 T27 L31 | Q26-S29 PolarHBondContact O-OG 3.03Å; T27-S29 PolarHBondContact O-N 2.83Å; T27-S29 VanDerWaalsContact O-N 3.07Å; S29-L31 PolarHBondContact O-N 3.1Å |
| 30 | L | 38 | Very low | 51.2 | Low | 105 Ų | 105 | 87.4 Ų | 87.4 | 55% | 0.55 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -84 | 105.9 | 174.9 | -71 | 174.4 | 0 | 0 | 0 | 109.4 | T27 E32 M138 | T27-L30 HydrophobicContact CG2-CD1 4.2Å; T27-L30 PolarHBondContact O-N 3.24Å; T27-L30 VanDerWaalsContact O-N 3.07Å; L30-E32 PolarHBondContact O-N 2.95Å; L30-M138 HydrophobicContact CD2-CE 4.05Å |
| 31 | L | 39.8 | Very low | 53.7 | Low | 139 Ų | 139 | 85.3 Ų | 85.3 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | trans | -44.8 | 129.9 | 165 | -80.9 | 157.8 | 0 | 0 | 0 | 109.8 | S29 P33 | S29-L31 PolarHBondContact O-N 3.1Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å | ||
| 32 | E | 48.6 | Very low | 56.2 | Low | 137 Ų | 137 | 82.5 Ų | 82.5 | 64% | 0.64 | 43% | 0.425 | S | S | * | . | trans | -49 | 116.2 | 178.6 | -71.7 | -166 | 131.8 | 0 | 0 | 109.7 | L30 R34 F1116 | L30-E32 PolarHBondContact O-N 2.95Å; E32-R34 PolarHBondContact O-N 3.07Å; E32-R34 VanDerWaalsContact O-N 3.16Å; E32-F1116 WeakPolarHBondContact OE1-CE2 3.39Å | ||
| 33 | P | 52.3 | Low | 58.7 | Low | 32 Ų | 32 | 76.1 Ų | 76.1 | 21% | 0.208 | 40% | 0.395 | C | S | . | . | trans | -60 | 125.7 | -173.3 | 18.2 | -29.6 | 0 | 0 | 0 | 109.9 | L31 F35 L127 M138 I142 | L31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-F35 WeakPolarHBondContact O-CD1 3.35Å; P33-F35 PolarHBondContact O-N 2.98Å; P33-F35 VanDerWaalsContact O-N 3.08Å; P33-L127 HydrophobicContact CB-CD1 3.67Å; P33-M138 HydrophobicContact CB-SD 3.71Å; P33-M138 HydrophobicContact CG-SD 4.34Å; P33-I142 HydrophobicContact CB-CD1 4.43Å; P33-I142 HydrophobicContact CG-CD1 4.34Å | ||
| 34 | R | 61.9 | Low | 61.4 | Low | 197 Ų | 197 | 73.2 Ų | 73.2 | 74% | 0.743 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 92.3 | 172.7 | -68.5 | -173.4 | -178.3 | 176.4 | 4.7 | 108.3 | E32 I128 | E32-R34 PolarHBondContact O-N 3.07Å; E32-R34 VanDerWaalsContact O-N 3.16Å; R34-I128 HydrophobicContact CB-CB 4.23Å; R34-I128 HydrophobicContact CB-CD1 4.03Å; R34-I128 VanDerWaalsContact O-CB 3.22Å; R34-I128 WeakPolarHBondContact O-CB 3.15Å; R34-I128 VanDerWaalsContact O-CG1 3.31Å; R34-I128 WeakPolarHBondContact O-CG1 3.45Å; R34-I128 PolarHBondContact O-N 3.23Å |
| 35 | F | 71.4 | Confident | 64 | Low | 46 Ų | 46 | 69.8 Ų | 69.8 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 147.7 | 169.5 | 64.3 | -79.3 | 0 | 0 | 0 | 110.5 | L15 P33 Y125 R126 | L15-F35 HydrophobicContact CD1-CD1 3.92Å; L15-F35 HydrophobicContact CD1-CE1 3.23Å; L15-F35 HydrophobicContact CD1-CZ 3.73Å; L15-F35 HydrophobicContact CD2-CE1 4.43Å; L15-F35 HydrophobicContact CD2-CZ 4.16Å; L15-F35 HydrophobicContact CG-CE1 3.67Å; L15-F35 HydrophobicContact CG-CE2 4.47Å; L15-F35 HydrophobicContact CG-CZ 3.58Å; P33-F35 WeakPolarHBondContact O-CD1 3.35Å; P33-F35 PolarHBondContact O-N 2.98Å; P33-F35 VanDerWaalsContact O-N 3.08Å; F35-Y125 HydrophobicContact CD2-CD1 4.43Å; F35-R126 CarbonylContact C-O 3.59Å; F35-R126 WeakPolarHBondContact CA-O 3.38Å |
| 36 | E | 79.1 | Confident | 66.5 | Low | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 155.8 | 163.6 | -74 | 172.3 | -132.4 | 0 | 0 | 109.3 | F78 Y125 R126 | E36-F78 HydrophobicContact CB-CE1 3.97Å; E36-F78 HydrophobicContact CB-CZ 3.75Å; E36-Y125 WeakPolarHBondContact O-CA 3.25Å; E36-R126 PolarHBondContact N-O 3.11Å; E36-R126 PolarHBondContact O-N 3.38Å; E36-R126 IonicContact OE1-CZ 3.17Å; E36-R126 IonicContact OE1-NE 3.26Å; E36-R126 IonicContact OE1-NH2 3.26Å; E36-R126 PolarHBondContact OE1-NH2 3.04Å; E36-R126 IonicContact OE2-CZ 2.69Å; E36-R126 IonicContact OE2-NH2 2.78Å; E36-R126 PolarHBondContact OE2-NH2 3.37Å; E36-R126 VanDerWaalsContact OE2-NH2 3.14Å |
| 37 | A | 81.9 | Confident | 68.8 | Low | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A11 V13 V123 R124 Y125 | A11-A37 HydrophobicContact CB-CB 3.83Å; A11-A37 PolarHBondContact N-O 3.11Å; V13-A37 HydrophobicContact CG2-CB 4.05Å; A37-V123 HydrophobicContact CB-CG1 4.1Å; A37-R124 CarbonylContact C-O 3.57Å; A37-R124 WeakPolarHBondContact CA-O 3.44Å; A37-Y125 HydrophobicContact CB-CD1 4.41Å |
| 38 | E | 84.4 | Confident | 70.9 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.4 | 167 | 70.9 | 177.3 | -161.1 | 0 | 0 | 109.5 | F7 S8 W9 S76 R77 F78 R124 | F7-E38 VanDerWaalsContact CD1-OE1 3.31Å; F7-E38 WeakPolarHBondContact CD1-OE1 3.47Å; S8-E38 CarbonylContact O-C 3.6Å; S8-E38 WeakPolarHBondContact O-CA 3.2Å; S8-E38 WeakPolarHBondContact O-CB 3.48Å; W9-E38 HydrophobicContact CB-CB 4.21Å; E38-S76 VanDerWaalsContact CD-OG 3.29Å; E38-S76 WeakPolarHBondContact OE1-CB 3.3Å; E38-S76 PolarHBondContact OE1-OG 3.4Å; E38-S76 PolarHBondContact OE2-OG 2.91Å; E38-R77 PolarHBondContact OE2-N 3.37Å; E38-F78 HydrophobicContact CB-CE2 4.08Å; E38-F78 HydrophobicContact CB-CZ 4.42Å; E38-F78 HydrophobicContact CG-CD2 3.86Å; E38-F78 HydrophobicContact CG-CE2 3.66Å; E38-F78 HydrophobicContact CG-CZ 4.43Å; E38-R124 HydrophobicContact CG-CB 3.77Å; E38-R124 HydrophobicContact CG-CG 4.49Å; E38-R124 PolarHBondContact N-O 3.43Å; E38-R124 PolarHBondContact O-N 2.93Å; E38-R124 WeakPolarHBondContact OE1-CD 3.24Å; E38-R124 IonicContact OE1-CZ 3.16Å; E38-R124 IonicContact OE1-NE 2.8Å; E38-R124 PolarHBondContact OE1-NE 2.86Å; E38-R124 IonicContact OE1-NH1 3.64Å; E38-R124 PolarHBondContact OE1-NH1 2.87Å |
| 39 | Y | 84.9 | Confident | 73.3 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.3 | 170.4 | -67.1 | -54.7 | 0 | 0 | 0 | 108.9 | F7 S8 A11 E12 H65 K121 S122 V123 | F7-Y39 WeakPolarHBondContact CA-O 3.28Å; S8-Y39 PolarHBondContact N-O 2.82Å; S8-Y39 PolarHBondContact O-N 3.48Å; A11-Y39 HydrophobicContact CB-CD1 3.61Å; A11-Y39 HydrophobicContact CB-CD2 3.77Å; A11-Y39 HydrophobicContact CB-CE1 3.53Å; A11-Y39 HydrophobicContact CB-CE2 3.72Å; A11-Y39 HydrophobicContact CB-CG 3.7Å; E12-Y39 PolarHBondContact N-OH 3.36Å; E12-Y39 PolarHBondContact O-OH 3.42Å; E12-Y39 VanDerWaalsContact O-OH 3.13Å; Y39-H65 AromaticContact CD2-CE1 3.92Å; Y39-K121 HydrophobicContact CD1-CD 4.03Å; Y39-K121 HydrophobicContact CD1-CG 4.22Å; Y39-K121 HydrophobicContact CE1-CD 4.41Å; Y39-K121 HydrophobicContact CG-CD 4.33Å; Y39-S122 WeakPolarHBondContact CA-O 3.46Å; Y39-V123 HydrophobicContact CD1-CG2 3.97Å; Y39-V123 HydrophobicContact CE1-CG2 3.88Å |
| 40 | C | 87.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.8 | 167.9 | 169.5 | 0 | 0 | 0 | 0 | 109.2 | R5 F7 Y42 S122 R124 | R5-C40 PolarHBondContact NE-SG 3.32Å; R5-C40 PolarHBondContact NH2-SG 3.23Å; F7-C40 HydrophobicContact CD1-CB 3.76Å; F7-C40 HydrophobicContact CE1-CB 3.71Å; F7-C40 VanDerWaalsContact CE1-SG 3.54Å; C40-Y42 WeakPolarHBondContact SG-CE2 3.09Å; C40-S122 WeakPolarHBondContact CB-OG 3.48Å; C40-S122 PolarHBondContact N-O 2.96Å; C40-S122 PolarHBondContact O-N 3.11Å; C40-S122 PolarHBondContact O-OG 3.49Å; C40-R124 HydrophobicContact CB-CG 4.26Å |
| 41 | F | 88 | Confident | 77.5 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.5 | 174.1 | -65.4 | -81.6 | 0 | 0 | 0 | 109.8 | R5 I6 H65 F100 L119 E120 K121 | R5-F41 WeakPolarHBondContact CA-O 3.34Å; I6-F41 HydrophobicContact CB-CB 4.35Å; I6-F41 PolarHBondContact N-O 3.16Å; I6-F41 PolarHBondContact O-N 2.89Å; F41-H65 AromaticContact CE2-NE2 3.35Å; F41-H65 VanDerWaalsContact CE2-NE2 3.35Å; F41-H65 WeakPolarHBondContact CE2-NE2 3.35Å; F41-H65 AromaticContact CZ-CE1 3.91Å; F41-H65 AromaticContact CZ-NE2 3.29Å; F41-H65 VanDerWaalsContact CZ-NE2 3.29Å; F41-H65 WeakPolarHBondContact CZ-NE2 3.43Å; F41-F100 HydrophobicContact CD1-CZ 4.48Å; F41-F100 HydrophobicContact CE1-CE1 4.45Å; F41-F100 AromaticContact CE1-CZ 3.92Å; F41-F100 HydrophobicContact CE1-CZ 3.92Å; F41-L119 HydrophobicContact CB-CD1 4.16Å; F41-L119 HydrophobicContact CD1-CD1 4.4Å; F41-L119 HydrophobicContact CD1-CD2 4.35Å; F41-L119 HydrophobicContact CD1-CG 4.49Å; F41-E120 CarbonylContact C-O 3.59Å; F41-E120 WeakPolarHBondContact CA-O 3.45Å; F41-K121 HydrophobicContact CD1-CB 3.98Å; F41-K121 HydrophobicContact CD1-CG 4.1Å; F41-K121 HydrophobicContact CE1-CB 3.85Å; F41-K121 HydrophobicContact CE1-CD 3.66Å; F41-K121 HydrophobicContact CE1-CG 3.65Å; F41-K121 HydrophobicContact CZ-CD 3.89Å; F41-K121 HydrophobicContact CZ-CG 4.09Å |
| 42 | Y | 90.4 | Very high | 79.6 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 99.1 | 172.1 | -73.8 | -96 | 0 | 0 | 0 | 108.3 | V3 R5 C40 F44 E89 L119 E120 Y155 T158 C159 F161 | V3-Y42 HydrophobicContact CG1-CD1 4.07Å; R5-Y42 HydrophobicContact CG-CD1 4.26Å; R5-Y42 HydrophobicContact CG-CE1 4.04Å; R5-Y42 PolarHBondContact NE-OH 2.81Å; R5-Y42 PolarHBondContact NH2-OH 2.9Å; C40-Y42 WeakPolarHBondContact SG-CE2 3.09Å; Y42-F44 VanDerWaalsContact O-CD2 3.28Å; Y42-F44 WeakPolarHBondContact O-CD2 3.49Å; Y42-F44 VanDerWaalsContact O-CE2 3.32Å; Y42-F44 WeakPolarHBondContact O-CE2 3.32Å; Y42-E89 WeakPolarHBondContact CE2-OE1 3.35Å; Y42-E89 PolarHBondContact OH-OE1 3.45Å; Y42-L119 WeakPolarHBondContact O-CA 3.38Å; Y42-E120 PolarHBondContact N-O 2.97Å; Y42-E120 PolarHBondContact O-N 2.84Å; Y42-E120 VanDerWaalsContact O-N 3.12Å; Y42-Y155 HydrophobicContact CE2-CE2 4.07Å; Y42-T158 HydrophobicContact CE1-CG2 4.46Å; Y42-C159 HydrophobicContact CE1-CB 4.42Å; Y42-F161 HydrophobicContact CD1-CD2 4.12Å; Y42-F161 AromaticContact CD1-CE2 3.69Å; Y42-F161 HydrophobicContact CD1-CE2 3.69Å; Y42-F161 AromaticContact CD2-CE2 3.86Å; Y42-F161 HydrophobicContact CD2-CE2 3.86Å; Y42-F161 HydrophobicContact CD2-CZ 4.3Å; Y42-F161 HydrophobicContact CE1-CE2 4.02Å; Y42-F161 HydrophobicContact CE2-CE2 4.17Å; Y42-F161 HydrophobicContact CG-CD2 4.33Å; Y42-F161 AromaticContact CG-CE2 3.6Å; Y42-F161 HydrophobicContact CG-CE2 3.6Å; Y42-F161 HydrophobicContact CG-CZ 4.35Å |
| 43 | L | 88.4 | Confident | 81 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122 | -179.2 | 178.2 | 74.8 | 0 | 0 | 0 | 110 | V3 Y4 I6 L45 L59 F63 V116 L119 | V3-L43 WeakPolarHBondContact CA-O 3.42Å; Y4-L43 PolarHBondContact N-O 3.34Å; Y4-L43 PolarHBondContact O-N 3.45Å; I6-L43 HydrophobicContact CD1-CB 4.45Å; I6-L43 HydrophobicContact CD1-CD2 3.99Å; L43-L45 HydrophobicContact CD2-CD2 4.29Å; L43-L45 HydrophobicContact CG-CD2 4.28Å; L43-L59 HydrophobicContact CD1-CD2 4.31Å; L43-L59 HydrophobicContact CD2-CD1 3.57Å; L43-F63 HydrophobicContact CD1-CZ 4.33Å; L43-V116 HydrophobicContact CD1-CB 4.45Å; L43-V116 HydrophobicContact CD1-CG1 3.49Å; L43-V116 VanDerWaalsContact CD1-CG1 3.49Å; L43-V116 HydrophobicContact CD1-CG2 4.08Å; L43-L119 HydrophobicContact CB-CD1 4.17Å; L43-L119 HydrophobicContact CD1-CD1 3.95Å |
| 44 | F | 90.7 | Very high | 82.4 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.9 | 179.2 | -61.3 | -109.1 | 0 | 0 | 0 | 109.9 | A2 V3 Y42 V117 R118 F161 F162 | A2-F44 WeakPolarHBondContact O-CA 3.32Å; V3-F44 HydrophobicContact CG1-CE1 4.3Å; V3-F44 HydrophobicContact CG1-CZ 4.25Å; V3-F44 HydrophobicContact CG2-CD1 3.54Å; V3-F44 HydrophobicContact CG2-CE1 3.53Å; V3-F44 HydrophobicContact CG2-CG 4.28Å; V3-F44 HydrophobicContact CG2-CZ 4.29Å; Y42-F44 VanDerWaalsContact O-CD2 3.28Å; Y42-F44 WeakPolarHBondContact O-CD2 3.49Å; Y42-F44 VanDerWaalsContact O-CE2 3.32Å; Y42-F44 WeakPolarHBondContact O-CE2 3.32Å; F44-V117 HydrophobicContact CB-CG2 3.86Å; F44-V117 PolarHBondContact O-N 2.83Å; F44-R118 HydrophobicContact CB-CB 3.87Å; F44-R118 HydrophobicContact CD2-CB 3.67Å; F44-R118 HydrophobicContact CD2-CG 4.05Å; F44-R118 WeakPolarHBondContact CD2-O 3.47Å; F44-R118 HydrophobicContact CE2-CB 4.42Å; F44-R118 HydrophobicContact CE2-CG 4.33Å; F44-R118 HydrophobicContact CG-CB 3.84Å; F44-R118 PolarHBondContact N-O 3.27Å; F44-F161 HydrophobicContact CE1-CB 3.85Å; F44-F161 HydrophobicContact CE1-CG 4.49Å; F44-F161 HydrophobicContact CZ-CB 3.53Å; F44-F161 HydrophobicContact CZ-CD1 4.48Å; F44-F161 AromaticContact CZ-CD2 3.74Å; F44-F161 HydrophobicContact CZ-CD2 3.74Å; F44-F161 AromaticContact CZ-CG 3.69Å; F44-F161 HydrophobicContact CZ-CG 3.69Å; F44-F162 HydrophobicContact CD1-CE1 4.07Å; F44-F162 AromaticContact CD1-CZ 3.98Å; F44-F162 HydrophobicContact CD1-CZ 3.98Å; F44-F162 HydrophobicContact CE1-CE1 4.13Å; F44-F162 HydrophobicContact CE1-CZ 4.04Å |
| 45 | L | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 151.5 | 170.1 | -56.8 | -171.3 | 0 | 0 | 0 | 110.8 | M1 A2 Y4 L43 G47 T49 L55 C115 V116 | M1-L45 CarbonylContact C-O 3.08Å; M1-L45 WeakPolarHBondContact CA-O 3.4Å; M1-L45 VanDerWaalsContact CB-O 3.23Å; M1-L45 WeakPolarHBondContact CB-O 3.46Å; A2-L45 PolarHBondContact N-O 2.85Å; A2-L45 PolarHBondContact O-N 2.84Å; Y4-L45 HydrophobicContact CD2-CD1 4.24Å; Y4-L45 HydrophobicContact CD2-CG 4.26Å; Y4-L45 HydrophobicContact CE2-CD1 3.7Å; Y4-L45 HydrophobicContact CE2-CG 4.08Å; L43-L45 HydrophobicContact CD2-CD2 4.29Å; L43-L45 HydrophobicContact CG-CD2 4.28Å; L45-G47 PolarHBondContact O-N 3.23Å; L45-T49 HydrophobicContact CD1-CG2 4.43Å; L45-T49 WeakPolarHBondContact CD1-O 3.29Å; L45-L55 HydrophobicContact CD1-CD2 4.16Å; L45-C115 CarbonylContact C-O 3.53Å; L45-C115 VanDerWaalsContact CA-O 3.27Å; L45-C115 WeakPolarHBondContact CA-O 3.32Å; L45-V116 HydrophobicContact CD2-CB 4.48Å; L45-V116 HydrophobicContact CD2-CG2 3.84Å |
| 46 | D | 86.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 44.6 Ų | 44.6 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | trans | -41.6 | -40 | 176.7 | 53 | 38.4 | 0 | 0 | 0 | 114.3 | M1 Q48 T49 C115 V117 | M1-D46 WeakPolarHBondContact CA-O 3.38Å; M1-D46 PolarHBondContact N-O 3.02Å; D46-Q48 PolarHBondContact OD1-N 2.84Å; D46-T49 WeakPolarHBondContact OD1-CB 3.49Å; D46-T49 PolarHBondContact OD1-N 2.99Å; D46-T49 PolarHBondContact OD1-OG1 2.96Å; D46-T49 PolarHBondContact OD2-OG1 3.49Å; D46-C115 PolarHBondContact N-O 3.5Å; D46-C115 VanDerWaalsContact OD2-CA 3.26Å; D46-C115 WeakPolarHBondContact OD2-CA 3.42Å; D46-C115 VanDerWaalsContact OD2-CB 3.28Å; D46-C115 WeakPolarHBondContact OD2-CB 3.4Å; D46-V117 HydrophobicContact CB-CG1 4.3Å | ||
| 47 | G | 78.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 105.7 | 1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L45 | L45-G47 PolarHBondContact O-N 3.23Š|
| 48 | Q | 81.7 | Confident | 83.4 | Confident | 190 Ų | 190 | 50 Ų | 50 | 89% | 0.888 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -98.8 | -33.5 | 164.3 | -59.8 | -174.6 | 10.9 | 0 | 0 | 110.7 | D46 | D46-Q48 PolarHBondContact OD1-N 2.84Š|
| 49 | T | 81.8 | Confident | 83 | Confident | 46 Ų | 46 | 50 Ų | 50 | 28% | 0.282 | 27% | 0.269 | S | S | . | . | trans | -87.2 | 128.2 | 178.7 | -51.7 | 0 | 0 | 0 | 0 | 111 | L45 D46 L55 C115 | L45-T49 HydrophobicContact CD1-CG2 4.43Å; L45-T49 WeakPolarHBondContact CD1-O 3.29Å; D46-T49 WeakPolarHBondContact OD1-CB 3.49Å; D46-T49 PolarHBondContact OD1-N 2.99Å; D46-T49 PolarHBondContact OD1-OG1 2.96Å; D46-T49 PolarHBondContact OD2-OG1 3.49Å; T49-L55 HydrophobicContact CG2-CD2 4.09Å; T49-C115 HydrophobicContact CG2-CB 3.72Å; T49-C115 WeakPolarHBondContact OG1-CB 3.28Å | ||
| 50 | C | 81 | Confident | 82.3 | Confident | 90 Ų | 90 | 52 Ų | 52 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | trans | -98.6 | 149.5 | 168.5 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | N52 | C50-N52 PolarHBondContact O-N 3.1Å; C50-N52 VanDerWaalsContact O-N 3.16Å | ||
| 51 | L | 78.8 | Confident | 81.7 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | trans | -63.9 | 114.3 | 171.6 | -174.2 | 66.2 | 0 | 0 | 0 | 110.3 | Y4 L55 E56 L59 | Y4-L51 HydrophobicContact CD1-CB 4.27Å; Y4-L51 HydrophobicContact CD1-CD2 4Å; Y4-L51 HydrophobicContact CE1-CB 3.81Å; Y4-L51 HydrophobicContact CE1-CD2 4.29Å; Y4-L51 HydrophobicContact CE2-CB 4.16Å; Y4-L51 HydrophobicContact CG-CD2 4.37Å; Y4-L51 PolarHBondContact OH-N 3.47Å; L51-L55 HydrophobicContact CD1-CD2 4.24Å; L51-L55 HydrophobicContact CD1-CG 4.08Å; L51-E56 HydrophobicContact CD1-CB 4.08Å; L51-E56 HydrophobicContact CG-CB 4.4Å; L51-L59 HydrophobicContact CD1-CD1 3.71Å | ||
| 52 | N | 83 | Confident | 81.1 | Confident | 84 Ų | 84 | 54.1 Ų | 54.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | trans | -118 | 169.5 | 177.4 | 70.9 | 28.1 | 0 | 0 | 0 | 110.8 | C50 E54 L55 E56 | C50-N52 PolarHBondContact O-N 3.1Å; C50-N52 VanDerWaalsContact O-N 3.16Å; N52-E54 VanDerWaalsContact C-N 3.29Å; N52-E54 PolarHBondContact O-N 2.91Å; N52-E54 PolarHBondContact OD1-N 2.85Å; N52-L55 PolarHBondContact O-N 2.82Å; N52-L55 WeakPolarHBondContact OD1-CB 3.14Å; N52-L55 PolarHBondContact OD1-N 2.85Å; N52-E56 WeakPolarHBondContact O-CB 3.49Å; N52-E56 PolarHBondContact O-N 3.41Å | ||
| 53 | D | 77.4 | Confident | 80.1 | Confident | 131 Ų | 131 | 54.2 Ų | 54.2 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.2 | -33.3 | -173 | -58.5 | -5.5 | 0 | 0 | 0 | 114 | L57 | D53-L57 WeakPolarHBondContact O-CB 3.47Å; D53-L57 WeakPolarHBondContact O-CG 3.24Å; D53-L57 PolarHBondContact O-N 2.87Å |
| 54 | E | 82.3 | Confident | 78.8 | Confident | 119 Ų | 119 | 59.9 Ų | 59.9 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.5 | -47.3 | 179 | -167.3 | -156.2 | 137 | 0 | 0 | 111.6 | N52 E56 L57 K58 | N52-E54 VanDerWaalsContact C-N 3.29Å; N52-E54 PolarHBondContact O-N 2.91Å; N52-E54 PolarHBondContact OD1-N 2.85Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.4Å; E54-L57 PolarHBondContact O-N 2.89Å; E54-K58 WeakPolarHBondContact O-CG 3.21Å; E54-K58 PolarHBondContact O-N 3.05Å; E54-K58 VanDerWaalsContact OE1-CE 3.31Å; E54-K58 WeakPolarHBondContact OE1-CE 3.24Å; E54-K58 IonicContact OE1-NZ 3.47Å; E54-K58 PolarHBondContact OE1-NZ 3.37Å |
| 55 | L | 80.8 | Confident | 76.9 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174.6 | 177.6 | 58.3 | 0 | 0 | 0 | 110.2 | L45 T49 L51 N52 K58 L59 L113 | L45-L55 HydrophobicContact CD1-CD2 4.16Å; T49-L55 HydrophobicContact CG2-CD2 4.09Å; L51-L55 HydrophobicContact CD1-CD2 4.24Å; L51-L55 HydrophobicContact CD1-CG 4.08Å; N52-L55 PolarHBondContact O-N 2.82Å; N52-L55 WeakPolarHBondContact OD1-CB 3.14Å; N52-L55 PolarHBondContact OD1-N 2.85Å; L55-K58 PolarHBondContact O-N 3.27Å; L55-L59 HydrophobicContact CD1-CD1 3.96Å; L55-L59 HydrophobicContact CD1-CG 4.11Å; L55-L59 HydrophobicContact CG-CD1 3.82Å; L55-L59 HydrophobicContact CG-CG 4.42Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CD1 3.32Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.36Å; L55-L113 HydrophobicContact CD1-CD1 4.3Å; L55-L113 HydrophobicContact CD1-CD2 3.86Å |
| 56 | E | 77.4 | Confident | 74.9 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174 | -175.7 | 164.9 | -172.4 | 0 | 0 | 111.7 | L51 N52 E54 K58 L59 L60 K74 | L51-E56 HydrophobicContact CD1-CB 4.08Å; L51-E56 HydrophobicContact CG-CB 4.4Å; N52-E56 WeakPolarHBondContact O-CB 3.49Å; N52-E56 PolarHBondContact O-N 3.41Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 3.4Å; E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.07Å; E56-L59 CarbonylContact O-C 3.53Å; E56-L59 PolarHBondContact O-N 3.14Å; E56-L60 HydrophobicContact CG-CD1 3.9Å; E56-L60 HydrophobicContact CG-CG 4.12Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 3.21Å; E56-K74 WeakPolarHBondContact OE1-CE 3.1Å; E56-K74 IonicContact OE1-NZ 2.71Å; E56-K74 PolarHBondContact OE1-NZ 3.37Å; E56-K74 WeakPolarHBondContact OE2-CE 3.17Å; E56-K74 IonicContact OE2-NZ 2.83Å; E56-K74 PolarHBondContact OE2-NZ 3.37Å |
| 57 | L | 76.2 | Confident | 72.6 | Confident | 118 Ų | 118 | 61.4 Ų | 61.4 | 62% | 0.618 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 174.4 | -78.8 | 167 | 0 | 0 | 0 | 112.8 | D53 E54 L60 W61 | D53-L57 WeakPolarHBondContact O-CB 3.47Å; D53-L57 WeakPolarHBondContact O-CG 3.24Å; D53-L57 PolarHBondContact O-N 2.87Å; E54-L57 PolarHBondContact O-N 2.89Å; L57-L60 PolarHBondContact O-N 3.2Å; L57-W61 PolarHBondContact O-N 3.3Å |
| 58 | K | 80.7 | Confident | 70.9 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 175.5 | -73.1 | 177 | 175.7 | 169.3 | 0 | 112 | E54 L55 E56 W61 L62 L113 F1136 | E54-K58 WeakPolarHBondContact O-CG 3.21Å; E54-K58 PolarHBondContact O-N 3.05Å; E54-K58 VanDerWaalsContact OE1-CE 3.31Å; E54-K58 WeakPolarHBondContact OE1-CE 3.24Å; E54-K58 IonicContact OE1-NZ 3.47Å; E54-K58 PolarHBondContact OE1-NZ 3.37Å; L55-K58 PolarHBondContact O-N 3.27Å; E56-K58 VanDerWaalsContact C-N 3.35Å; E56-K58 PolarHBondContact O-N 3.07Å; K58-W61 PolarHBondContact O-N 3.11Å; K58-L62 WeakPolarHBondContact O-CG 3.4Å; K58-L62 PolarHBondContact O-N 3.02Å; K58-L113 HydrophobicContact CB-CD1 4.16Å; K58-L113 HydrophobicContact CD-CD2 3.94Å; K58-F1136 HydrophobicContact CB-CD2 4.45Å; K58-F1136 HydrophobicContact CB-CE2 3.71Å; K58-F1136 HydrophobicContact CB-CZ 3.86Å; K58-F1136 HydrophobicContact CD-CD2 4.16Å; K58-F1136 HydrophobicContact CD-CE2 4.25Å; K58-F1136 HydrophobicContact CD-CG 4.49Å; K58-F1136 HydrophobicContact CG-CD2 4.26Å; K58-F1136 HydrophobicContact CG-CE1 4.21Å; K58-F1136 HydrophobicContact CG-CE2 3.87Å; K58-F1136 HydrophobicContact CG-CZ 3.86Å |
| 59 | L | 76 | Confident | 68.9 | Low | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.5 | -36.7 | 174.1 | -69.8 | 167.9 | 0 | 0 | 0 | 112.3 | L43 L51 L55 E56 W61 L62 F63 F108 | L43-L59 HydrophobicContact CD1-CD2 4.31Å; L43-L59 HydrophobicContact CD2-CD1 3.57Å; L51-L59 HydrophobicContact CD1-CD1 3.71Å; L55-L59 HydrophobicContact CD1-CD1 3.96Å; L55-L59 HydrophobicContact CD1-CG 4.11Å; L55-L59 HydrophobicContact CG-CD1 3.82Å; L55-L59 HydrophobicContact CG-CG 4.42Å; L55-L59 VanDerWaalsContact O-CB 3.31Å; L55-L59 WeakPolarHBondContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CD1 3.32Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.36Å; E56-L59 CarbonylContact O-C 3.53Å; E56-L59 PolarHBondContact O-N 3.14Å; L59-W61 PolarHBondContact O-N 2.83Å; L59-L62 PolarHBondContact O-N 3.01Å; L59-F63 HydrophobicContact CB-CD2 4.09Å; L59-F63 HydrophobicContact CB-CE2 3.97Å; L59-F63 HydrophobicContact CD2-CE2 3.81Å; L59-F63 HydrophobicContact CD2-CZ 4Å; L59-F63 HydrophobicContact CG-CE2 4.38Å; L59-F63 VanDerWaalsContact O-CB 3.26Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 WeakPolarHBondContact O-CD2 3.38Å; L59-F63 VanDerWaalsContact O-CG 3.3Å; L59-F63 WeakPolarHBondContact O-CG 3.27Å; L59-F63 PolarHBondContact O-N 3.45Å; L59-F108 HydrophobicContact CD2-CD1 4.17Å; L59-F108 HydrophobicContact CD2-CE1 3.54Å; L59-F108 HydrophobicContact CD2-CZ 4.18Å |
| 60 | L | 71.6 | Confident | 67.3 | Low | 59 Ų | 59 | 60.6 Ų | 60.6 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.6 | -26 | 173.9 | -75.5 | 172 | 0 | 0 | 0 | 112 | E56 L57 R64 L72 | E56-L60 HydrophobicContact CG-CD1 3.9Å; E56-L60 HydrophobicContact CG-CG 4.12Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 WeakPolarHBondContact O-CG 3.48Å; E56-L60 PolarHBondContact O-N 3.21Å; L57-L60 PolarHBondContact O-N 3.2Å; L60-R64 VanDerWaalsContact O-CB 3.23Å; L60-R64 WeakPolarHBondContact O-CB 3.22Å; L60-R64 PolarHBondContact O-N 3.4Å; L60-L72 HydrophobicContact CB-CD1 4.34Å; L60-L72 HydrophobicContact CD2-CB 3.48Å; L60-L72 VanDerWaalsContact CD2-CB 3.48Å; L60-L72 HydrophobicContact CD2-CD1 3.56Å; L60-L72 HydrophobicContact CD2-CG 4.18Å |
| 61 | W | 74 | Confident | 66.2 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.3 | -45.7 | 171.2 | -167.6 | 94.7 | 0 | 0 | 0 | 111.6 | L57 K58 L59 F63 R64 V1128 A1131 A1132 F1136 T1167 | L57-W61 PolarHBondContact O-N 3.3Å; K58-W61 PolarHBondContact O-N 3.11Å; L59-W61 PolarHBondContact O-N 2.83Å; W61-F63 VanDerWaalsContact C-N 3.35Å; W61-F63 PolarHBondContact O-N 3.22Å; W61-R64 VanDerWaalsContact O-CB 3.23Å; W61-R64 WeakPolarHBondContact O-CB 3.46Å; W61-R64 PolarHBondContact O-N 3.33Å; W61-V1128 HydrophobicContact CE3-CG1 4.05Å; W61-V1128 HydrophobicContact CH2-CG1 4.44Å; W61-V1128 HydrophobicContact CZ3-CG1 3.66Å; W61-A1131 HydrophobicContact CH2-CB 3.78Å; W61-A1132 HydrophobicContact CZ3-CB 3.89Å; W61-F1136 HydrophobicContact CB-CZ 4.42Å; W61-F1136 HydrophobicContact CD2-CE1 4.48Å; W61-F1136 HydrophobicContact CD2-CZ 4.34Å; W61-F1136 HydrophobicContact CE3-CE1 4.33Å; W61-F1136 AromaticContact CE3-CZ 3.93Å; W61-F1136 HydrophobicContact CE3-CZ 3.93Å; W61-T1167 HydrophobicContact CH2-CG2 4.06Å; W61-T1167 HydrophobicContact CZ2-CG2 4.25Å |
| 62 | L | 76.2 | Confident | 65.5 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -33.2 | 177.3 | -75.1 | 174.5 | 0 | 0 | 0 | 113.8 | K58 L59 I107 F108 L113 L1107 V1128 A1132 F1136 | K58-L62 WeakPolarHBondContact O-CG 3.4Å; K58-L62 PolarHBondContact O-N 3.02Å; L59-L62 PolarHBondContact O-N 3.01Å; L62-I107 HydrophobicContact CD2-CG2 3.83Å; L62-F108 HydrophobicContact CB-CE1 4.42Å; L62-F108 HydrophobicContact CD1-CD1 3.57Å; L62-F108 HydrophobicContact CD1-CE1 3.53Å; L62-L113 HydrophobicContact CD1-CD1 3.68Å; L62-L1107 HydrophobicContact CB-CD1 4.29Å; L62-V1128 HydrophobicContact CD2-CG1 3.91Å; L62-A1132 HydrophobicContact CD2-CB 3.45Å; L62-A1132 VanDerWaalsContact CD2-CB 3.45Å; L62-F1136 HydrophobicContact CD1-CE2 4.02Å; L62-F1136 HydrophobicContact CD2-CE2 4.47Å; L62-F1136 HydrophobicContact CG-CE2 4.05Å; L62-F1136 HydrophobicContact CG-CZ 4.39Å |
| 63 | F | 70.1 | Confident | 65 | Low | 5 Ų | 5 | 63.2 Ų | 63.2 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 10.7 | 175.2 | -57.8 | -40.8 | 0 | 0 | 0 | 112.9 | I6 L43 L59 W61 H65 L72 F108 L119 L1107 | I6-F63 HydrophobicContact CD1-CD2 4.18Å; I6-F63 HydrophobicContact CD1-CE2 3.77Å; L43-F63 HydrophobicContact CD1-CZ 4.33Å; L59-F63 HydrophobicContact CB-CD2 4.09Å; L59-F63 HydrophobicContact CB-CE2 3.97Å; L59-F63 HydrophobicContact CD2-CE2 3.81Å; L59-F63 HydrophobicContact CD2-CZ 4Å; L59-F63 HydrophobicContact CG-CE2 4.38Å; L59-F63 VanDerWaalsContact O-CB 3.26Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 WeakPolarHBondContact O-CD2 3.38Å; L59-F63 VanDerWaalsContact O-CG 3.3Å; L59-F63 WeakPolarHBondContact O-CG 3.27Å; L59-F63 PolarHBondContact O-N 3.45Å; W61-F63 VanDerWaalsContact C-N 3.35Å; W61-F63 PolarHBondContact O-N 3.22Å; F63-H65 PolarHBondContact O-CD2 3.4Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.27Å; F63-L72 HydrophobicContact CB-CD1 3.73Å; F63-L72 HydrophobicContact CB-CD2 3.81Å; F63-L72 HydrophobicContact CB-CG 4.44Å; F63-L72 WeakPolarHBondContact O-CD1 3.15Å; F63-F108 HydrophobicContact CE1-CE1 4.36Å; F63-F108 AromaticContact CE1-CZ 3.72Å; F63-F108 HydrophobicContact CE1-CZ 3.72Å; F63-F108 HydrophobicContact CZ-CE1 4.26Å; F63-F108 AromaticContact CZ-CZ 3.69Å; F63-F108 HydrophobicContact CZ-CZ 3.69Å; F63-L119 HydrophobicContact CE1-CD1 4.05Å; F63-L119 HydrophobicContact CE1-CD2 3.61Å; F63-L119 HydrophobicContact CE1-CG 4.5Å; F63-L119 HydrophobicContact CZ-CD1 3.66Å; F63-L119 HydrophobicContact CZ-CD2 4.06Å; F63-L1107 HydrophobicContact CD1-CD2 4.08Å; F63-L1107 HydrophobicContact CE1-CD1 4.31Å; F63-L1107 HydrophobicContact CE1-CD2 3.94Å |
| 64 | R | 60.2 | Low | 65 | Low | 119 Ų | 119 | 62.4 Ų | 62.4 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -71.4 | 73.7 | -177 | -144.9 | -177.7 | -160 | -176.8 | 11.1 | 110.3 | L60 W61 S66 A1188 H1193 | L60-R64 VanDerWaalsContact O-CB 3.23Å; L60-R64 WeakPolarHBondContact O-CB 3.22Å; L60-R64 PolarHBondContact O-N 3.4Å; W61-R64 VanDerWaalsContact O-CB 3.23Å; W61-R64 WeakPolarHBondContact O-CB 3.46Å; W61-R64 PolarHBondContact O-N 3.33Å; R64-S66 PolarHBondContact O-N 3.13Å; R64-A1188 PolarHBondContact NH1-O 3.32Å; R64-H1193 PolarHBondContact NH1-NE2 2.82Å | ||
| 65 | H | 51.1 | Low | 64.9 | Low | 48 Ų | 48 | 63.6 Ų | 63.6 | 22% | 0.222 | 31% | 0.308 | C | S | . | . | trans | -46.7 | 135.7 | 174.4 | -79.2 | -86.4 | 0 | 0 | 0 | 109.4 | S8 Y39 F41 F63 F67 A70 | S8-H65 PolarHBondContact OG-CD2 3.39Å; Y39-H65 AromaticContact CD2-CE1 3.92Å; F41-H65 AromaticContact CE2-NE2 3.35Å; F41-H65 VanDerWaalsContact CE2-NE2 3.35Å; F41-H65 WeakPolarHBondContact CE2-NE2 3.35Å; F41-H65 AromaticContact CZ-CE1 3.91Å; F41-H65 AromaticContact CZ-NE2 3.29Å; F41-H65 VanDerWaalsContact CZ-NE2 3.29Å; F41-H65 WeakPolarHBondContact CZ-NE2 3.43Å; F63-H65 PolarHBondContact O-CD2 3.4Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.27Å; H65-F67 PolarHBondContact O-N 3.45Å; H65-A70 HydrophobicContact CB-CB 4.08Å | ||
| 66 | S | 46.8 | Very low | 65 | Low | 15 Ų | 15 | 63.6 Ų | 63.6 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.9 | 24.8 | -161.4 | -44.7 | 0 | 0 | 0 | 0 | 115 | R64 P1124 | R64-S66 PolarHBondContact O-N 3.13Å; S66-P1124 VanDerWaalsContact CB-CG 3.44Å |
| 67 | F | 39.7 | Very low | 65.1 | Low | 29 Ų | 29 | 67.4 Ų | 67.4 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | trans | -93.8 | 132.8 | 165.3 | -68.9 | -73.5 | 0 | 0 | 0 | 110.9 | P10 H65 Q69 A70 L1121 L1123 | P10-F67 HydrophobicContact CG-CD2 4.46Å; P10-F67 HydrophobicContact CG-CE1 4.47Å; P10-F67 HydrophobicContact CG-CE2 3.57Å; P10-F67 HydrophobicContact CG-CZ 3.54Å; H65-F67 PolarHBondContact O-N 3.45Å; F67-Q69 PolarHBondContact O-N 3.16Å; F67-A70 HydrophobicContact CB-CB 3.85Å; F67-A70 HydrophobicContact CD2-CB 4.16Å; F67-A70 PolarHBondContact O-N 3.19Å; F67-L1121 HydrophobicContact CE1-CD2 3.82Å; F67-L1121 HydrophobicContact CE1-CG 4.28Å; F67-L1123 HydrophobicContact CD2-CD2 4.15Å; F67-L1123 HydrophobicContact CE1-CD1 3.74Å; F67-L1123 HydrophobicContact CE1-CD2 3.93Å; F67-L1123 HydrophobicContact CE1-CG 3.68Å; F67-L1123 HydrophobicContact CE2-CD1 4.43Å; F67-L1123 HydrophobicContact CE2-CD2 3.27Å; F67-L1123 HydrophobicContact CE2-CG 4.01Å; F67-L1123 HydrophobicContact CZ-CD1 3.45Å; F67-L1123 VanDerWaalsContact CZ-CD1 3.45Å; F67-L1123 HydrophobicContact CZ-CD2 3.17Å; F67-L1123 HydrophobicContact CZ-CG 3.4Å | ||
| 68 | P | 41.6 | Very low | 65.3 | Low | 103 Ų | 103 | 62.3 Ų | 62.3 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -10.6 | 164.4 | -25.3 | 35.5 | 0 | 0 | 0 | 115 | ||
| 69 | Q | 40.2 | Very low | 64.8 | Low | 136 Ų | 136 | 64.8 Ų | 64.8 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.3 | -178.8 | -59.7 | -171.5 | 12.3 | 0 | 0 | 114.6 | F67 K71 | F67-Q69 PolarHBondContact O-N 3.16Å; Q69-K71 PolarHBondContact O-N 2.84Å; Q69-K71 VanDerWaalsContact O-N 3.11Å |
| 70 | A | 49.2 | Very low | 63.9 | Low | 25 Ų | 25 | 72.3 Ų | 72.3 | 21% | 0.207 | 35% | 0.347 | C | S | . | . | trans | -69.6 | 111.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | W9 H65 F67 | W9-A70 WeakPolarHBondContact O-CA 3.36Å; H65-A70 HydrophobicContact CB-CB 4.08Å; F67-A70 HydrophobicContact CB-CB 3.85Å; F67-A70 HydrophobicContact CD2-CB 4.16Å; F67-A70 PolarHBondContact O-N 3.19Å | ||
| 71 | K | 56 | Low | 63.1 | Low | 175 Ų | 175 | 72.2 Ų | 72.2 | 76% | 0.761 | 35% | 0.349 | S | S | * | . | trans | -97.1 | 102.8 | 174.2 | -68.2 | -172.4 | -179.6 | -177.3 | 0 | 109.4 | Q69 | Q69-K71 PolarHBondContact O-N 2.84Å; Q69-K71 VanDerWaalsContact O-N 3.11Å | ||
| 72 | L | 64.3 | Low | 62.2 | Low | 34 Ų | 34 | 72.2 Ų | 72.2 | 18% | 0.178 | 37% | 0.365 | C | S | . | . | trans | -60.8 | 135.3 | 163.8 | -68.9 | 165.5 | 0 | 0 | 0 | 109.4 | I6 F7 L60 F63 | I6-L72 HydrophobicContact CG2-CD2 4.04Å; F7-L72 WeakPolarHBondContact O-CA 3.18Å; L60-L72 HydrophobicContact CB-CD1 4.34Å; L60-L72 HydrophobicContact CD2-CB 3.48Å; L60-L72 VanDerWaalsContact CD2-CB 3.48Å; L60-L72 HydrophobicContact CD2-CD1 3.56Å; L60-L72 HydrophobicContact CD2-CG 4.18Å; F63-L72 HydrophobicContact CB-CD1 3.73Å; F63-L72 HydrophobicContact CB-CD2 3.81Å; F63-L72 HydrophobicContact CB-CG 4.44Å; F63-L72 WeakPolarHBondContact O-CD1 3.15Å | ||
| 73 | S | 72.8 | Confident | 61.2 | Low | 49 Ų | 49 | 79.2 Ų | 79.2 | 34% | 0.343 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -147.8 | 144 | -173.1 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | F7 K75 | F7-S73 PolarHBondContact N-O 3.1Å; F7-S73 PolarHBondContact O-N 3.33Å; S73-K75 WeakPolarHBondContact CB-O 3.18Å; S73-K75 PolarHBondContact O-N 2.8Å; S73-K75 PolarHBondContact OG-N 3.33Å; S73-K75 PolarHBondContact OG-O 3.28Å |
| 74 | K | 76.9 | Confident | 60.5 | Low | 114 Ų | 114 | 81.9 Ų | 81.9 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -76.2 | -7.4 | 168.4 | -72.4 | 167.5 | 172.5 | 154.4 | 0 | 113.2 | E56 | E56-K74 WeakPolarHBondContact OE1-CE 3.1Å; E56-K74 IonicContact OE1-NZ 2.71Å; E56-K74 PolarHBondContact OE1-NZ 3.37Å; E56-K74 WeakPolarHBondContact OE2-CE 3.17Å; E56-K74 IonicContact OE2-NZ 2.83Å; E56-K74 PolarHBondContact OE2-NZ 3.37Å |
| 75 | K | 80.9 | Confident | 60.9 | Low | 143 Ų | 143 | 79 Ų | 79 | 62% | 0.622 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -123.5 | 141.5 | 175.5 | -67.8 | -167 | 174.6 | -164.6 | 0 | 111.2 | S73 | S73-K75 WeakPolarHBondContact CB-O 3.18Å; S73-K75 PolarHBondContact O-N 2.8Å; S73-K75 PolarHBondContact OG-N 3.33Å; S73-K75 PolarHBondContact OG-O 3.28Å |
| 76 | S | 83.3 | Confident | 62 | Low | 11 Ų | 11 | 79.2 Ų | 79.2 | 8% | 0.077 | 42% | 0.419 | C | S | . | . | trans | -62.6 | 149.2 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | F7 E38 F78 E79 R124 | F7-S76 VanDerWaalsContact CD2-N 3.28Å; E38-S76 VanDerWaalsContact CD-OG 3.29Å; E38-S76 WeakPolarHBondContact OE1-CB 3.3Å; E38-S76 PolarHBondContact OE1-OG 3.4Å; E38-S76 PolarHBondContact OE2-OG 2.91Å; S76-F78 PolarHBondContact O-N 3.36Å; S76-F78 WeakPolarHBondContact OG-CA 3.4Å; S76-F78 PolarHBondContact OG-N 2.91Å; S76-E79 WeakPolarHBondContact CB-OE1 3.45Å; S76-E79 PolarHBondContact N-OE1 3.39Å; S76-R124 PolarHBondContact OG-NH1 3.48Å; S76-R124 PolarHBondContact OG-NH2 3.2Å; S76-R124 VanDerWaalsContact OG-NH2 3.12Å | ||
| 77 | R | 79 | Confident | 63.7 | Low | 124 Ų | 124 | 82.3 Ų | 82.3 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.9 | 163.9 | -176.6 | 170.5 | 170.2 | 164.7 | -7 | 112.1 | E38 | E38-R77 PolarHBondContact OE2-N 3.37Š|
| 78 | F | 80.6 | Confident | 65.9 | Low | 11 Ų | 11 | 81.2 Ų | 81.2 | 5% | 0.048 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14.3 | -178.3 | -51 | -33.9 | 0 | 0 | 0 | 113.6 | E36 E38 S76 D80 L87 R124 R126 | E36-F78 HydrophobicContact CB-CE1 3.97Å; E36-F78 HydrophobicContact CB-CZ 3.75Å; E38-F78 HydrophobicContact CB-CE2 4.08Å; E38-F78 HydrophobicContact CB-CZ 4.42Å; E38-F78 HydrophobicContact CG-CD2 3.86Å; E38-F78 HydrophobicContact CG-CE2 3.66Å; E38-F78 HydrophobicContact CG-CZ 4.43Å; S76-F78 PolarHBondContact O-N 3.36Å; S76-F78 WeakPolarHBondContact OG-CA 3.4Å; S76-F78 PolarHBondContact OG-N 2.91Å; F78-D80 VanDerWaalsContact C-N 3.32Å; F78-L87 HydrophobicContact CB-CD1 4.03Å; F78-L87 HydrophobicContact CD2-CD1 3.9Å; F78-L87 HydrophobicContact CG-CD1 4.39Å; F78-R124 HydrophobicContact CD2-CB 4.39Å; F78-R124 HydrophobicContact CE2-CB 4.49Å; F78-R126 HydrophobicContact CD1-CB 3.92Å; F78-R126 HydrophobicContact CD1-CG 4.42Å; F78-R126 HydrophobicContact CD2-CB 4.03Å; F78-R126 HydrophobicContact CE1-CB 3.86Å; F78-R126 HydrophobicContact CE2-CB 3.95Å; F78-R126 HydrophobicContact CG-CB 4.02Å; F78-R126 HydrophobicContact CZ-CB 3.87Å |
| 79 | E | 71.2 | Confident | 68.1 | Low | 107 Ų | 107 | 77 Ų | 77 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -75.8 | -15.9 | 174.6 | -99.5 | 157.7 | -126 | 0 | 0 | 113.9 | S76 | S76-E79 WeakPolarHBondContact CB-OE1 3.45Å; S76-E79 PolarHBondContact N-OE1 3.39Å |
| 80 | D | 56.6 | Low | 70.4 | Confident | 161 Ų | 161 | 70.7 Ų | 70.7 | 86% | 0.861 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -132.2 | 50.9 | -157.8 | -146.1 | 5 | 0 | 0 | 0 | 111.9 | F78 | F78-D80 VanDerWaalsContact C-N 3.32Š|
| 81 | V | 54.3 | Low | 72.3 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | trans | -128.7 | 138.2 | -170.7 | -143 | 0 | 0 | 0 | 0 | 112.9 | H85 | V81-H85 HydrophobicContact CG1-CB 4.31Å; V81-H85 WeakPolarHBondContact CG1-ND1 3.4Å | ||
| 82 | G | 55.3 | Low | 73.8 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | trans | -72.9 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S84 H85 | G82-S84 PolarHBondContact O-N 3.32Å; G82-H85 PolarHBondContact O-ND1 3.42Å | ||
| 83 | T | 54.6 | Low | 74.7 | Confident | 147 Ų | 147 | 62.7 Ų | 62.7 | 90% | 0.902 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.6 | 40.9 | -164.4 | 62 | 0 | 0 | 0 | 0 | 116.6 | ||
| 84 | S | 56.3 | Low | 75 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -143.3 | 30.7 | 179.2 | 70.6 | 0 | 0 | 0 | 0 | 111.7 | G82 | G82-S84 PolarHBondContact O-N 3.32Š|
| 85 | H | 67.3 | Low | 74.8 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.5 | -171.5 | -63.5 | 89.2 | 0 | 0 | 0 | 110.6 | V81 G82 R126 L127 | V81-H85 HydrophobicContact CG1-CB 4.31Å; V81-H85 WeakPolarHBondContact CG1-ND1 3.4Å; G82-H85 PolarHBondContact O-ND1 3.42Å; H85-R126 HydrophobicContact CB-CG 4.3Å; H85-L127 WeakPolarHBondContact CA-O 3.46Å |
| 86 | F | 75.4 | Confident | 74.6 | Confident | 51 Ų | 51 | 55 Ų | 55 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.3 | 179.7 | -80.5 | -106.8 | 0 | 0 | 0 | 110.1 | L127 D132 A135 | F86-L127 HydrophobicContact CB-CB 4.22Å; F86-L127 PolarHBondContact N-O 2.98Å; F86-L127 PolarHBondContact O-N 3.37Å; F86-D132 HydrophobicContact CE2-CB 4.25Å; F86-D132 VanDerWaalsContact CE2-OD1 3.27Å; F86-D132 WeakPolarHBondContact CE2-OD1 3.32Å; F86-D132 HydrophobicContact CZ-CB 3.84Å; F86-D132 WeakPolarHBondContact CZ-O 3.41Å; F86-D132 WeakPolarHBondContact CZ-OD1 3.47Å; F86-A135 HydrophobicContact CB-CB 4.41Å; F86-A135 HydrophobicContact CD1-CB 4.08Å; F86-A135 HydrophobicContact CD2-CB 3.29Å; F86-A135 HydrophobicContact CE1-CB 4.2Å; F86-A135 HydrophobicContact CE2-CB 3.45Å; F86-A135 VanDerWaalsContact CE2-CB 3.45Å; F86-A135 HydrophobicContact CG-CB 3.64Å; F86-A135 HydrophobicContact CZ-CB 3.92Å |
| 87 | L | 82.2 | Confident | 74.7 | Confident | 81 Ų | 81 | 55.3 Ų | 55.3 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.2 | 175 | 176.5 | 68.3 | 0 | 0 | 0 | 110 | F78 R124 Y125 | F78-L87 HydrophobicContact CB-CD1 4.03Å; F78-L87 HydrophobicContact CD2-CD1 3.9Å; F78-L87 HydrophobicContact CG-CD1 4.39Å; L87-R124 HydrophobicContact CD1-CB 4.49Å; L87-R124 VanDerWaalsContact CD2-NH2 3.27Å; L87-Y125 WeakPolarHBondContact CA-O 3.36Å |
| 88 | F | 85.1 | Confident | 75.1 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 162.7 | 166.1 | 61 | -84.5 | 0 | 0 | 0 | 110.8 | V90 R124 Y125 L127 K139 I142 I143 | F88-V90 HydrophobicContact CD2-CG2 4.22Å; F88-V90 HydrophobicContact CE2-CG2 4.43Å; F88-R124 WeakPolarHBondContact O-CA 3.35Å; F88-Y125 AromaticContact CD2-CD2 3.81Å; F88-Y125 HydrophobicContact CD2-CD2 3.81Å; F88-Y125 HydrophobicContact CD2-CG 4.16Å; F88-Y125 HydrophobicContact CE1-CG 4.36Å; F88-Y125 HydrophobicContact CE2-CD1 4.37Å; F88-Y125 AromaticContact CE2-CD2 3.42Å; F88-Y125 HydrophobicContact CE2-CD2 3.42Å; F88-Y125 VanDerWaalsContact CE2-CD2 3.42Å; F88-Y125 HydrophobicContact CE2-CE2 4.2Å; F88-Y125 AromaticContact CE2-CG 3.53Å; F88-Y125 HydrophobicContact CE2-CG 3.53Å; F88-Y125 HydrophobicContact CZ-CD1 4.26Å; F88-Y125 HydrophobicContact CZ-CD2 4.05Å; F88-Y125 AromaticContact CZ-CG 3.64Å; F88-Y125 HydrophobicContact CZ-CG 3.64Å; F88-Y125 PolarHBondContact N-O 2.88Å; F88-Y125 PolarHBondContact O-N 2.61Å; F88-L127 HydrophobicContact CE1-CB 4.49Å; F88-K139 HydrophobicContact CB-CD 4.28Å; F88-K139 HydrophobicContact CD1-CD 4.22Å; F88-K139 HydrophobicContact CD1-CG 3.89Å; F88-K139 HydrophobicContact CE1-CG 4.2Å; F88-K139 HydrophobicContact CG-CD 4.4Å; F88-K139 HydrophobicContact CG-CG 4.21Å; F88-I142 HydrophobicContact CE2-CG2 4.38Å; F88-I142 HydrophobicContact CZ-CB 4.47Å; F88-I142 HydrophobicContact CZ-CG2 3.73Å; F88-I143 HydrophobicContact CB-CD1 4.39Å; F88-I143 HydrophobicContact CD2-CD1 3.65Å; F88-I143 HydrophobicContact CD2-CG1 3.61Å; F88-I143 HydrophobicContact CE2-CD1 4.09Å; F88-I143 HydrophobicContact CE2-CG1 3.52Å; F88-I143 HydrophobicContact CG-CD1 4.09Å; F88-I143 HydrophobicContact CG-CG1 4.42Å; F88-I143 HydrophobicContact CZ-CG1 4.28Å |
| 89 | E | 88.9 | Confident | 75.5 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135.4 | -176.8 | -174.6 | 165.5 | 173.2 | 0 | 0 | 109.9 | R5 Y42 S122 V123 R124 E154 Y155 | R5-E89 IonicContact CZ-OE2 3.84Å; R5-E89 IonicContact NH2-OE1 2.76Å; R5-E89 PolarHBondContact NH2-OE1 2.82Å; R5-E89 IonicContact NH2-OE2 2.74Å; R5-E89 PolarHBondContact NH2-OE2 2.86Å; Y42-E89 WeakPolarHBondContact CE2-OE1 3.35Å; Y42-E89 PolarHBondContact OH-OE1 3.45Å; E89-S122 PolarHBondContact OE1-OG 3.11Å; E89-V123 WeakPolarHBondContact CA-O 3.39Å; E89-R124 HydrophobicContact CB-CG 3.91Å; E89-R124 HydrophobicContact CG-CG 3.52Å; E89-R124 WeakPolarHBondContact OE2-CD 3.36Å; E89-R124 WeakPolarHBondContact OE2-CG 3.33Å; E89-R124 IonicContact OE2-NE 2.95Å; E89-E154 CarbonylContact O-C 3.34Å; E89-E154 WeakPolarHBondContact O-CA 2.99Å; E89-E154 WeakPolarHBondContact O-CG 3.1Å; E89-Y155 HydrophobicContact CB-CD2 4.49Å; E89-Y155 HydrophobicContact CG-CD2 3.77Å; E89-Y155 HydrophobicContact CG-CG 4.45Å; E89-Y155 PolarHBondContact O-N 2.9Å |
| 90 | V | 88.4 | Confident | 76.3 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.6 | -179 | 174 | 0 | 0 | 0 | 0 | 108.3 | F88 S122 V123 Y125 H147 E152 | F88-V90 HydrophobicContact CD2-CG2 4.22Å; F88-V90 HydrophobicContact CE2-CG2 4.43Å; V90-S122 CarbonylContact O-C 3.23Å; V90-S122 VanDerWaalsContact O-CA 3.32Å; V90-S122 WeakPolarHBondContact O-CA 3.19Å; V90-S122 VanDerWaalsContact O-CB 3.23Å; V90-S122 WeakPolarHBondContact O-CB 3.46Å; V90-V123 PolarHBondContact N-O 2.78Å; V90-V123 PolarHBondContact O-N 2.98Å; V90-Y125 HydrophobicContact CB-CE2 4.16Å; V90-Y125 HydrophobicContact CG2-CD2 4.46Å; V90-Y125 HydrophobicContact CG2-CE2 4.13Å; V90-H147 HydrophobicContact CG1-CB 3.43Å; V90-H147 VanDerWaalsContact CG1-CB 3.43Å; V90-E152 HydrophobicContact CG1-CB 4.3Å |
| 91 | G | 89 | Confident | 78 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | -174 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E152 C153 Y155 | G91-E152 CarbonylContact O-C 3.56Å; G91-E152 VanDerWaalsContact O-CA 3.23Å; G91-E152 WeakPolarHBondContact O-CA 3.47Å; G91-E152 WeakPolarHBondContact O-CB 3.3Å; G91-C153 PolarHBondContact N-O 3.17Å; G91-C153 PolarHBondContact O-N 3.38Å; G91-Y155 VanDerWaalsContact C-OH 3.3Å; G91-Y155 WeakPolarHBondContact CA-OH 2.48Å |
| 92 | P | 86.9 | Confident | 79.7 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 146.3 | 178.7 | -25.3 | 34.5 | 0 | 0 | 0 | 112.4 | T98 K121 Y155 | P92-T98 HydrophobicContact CB-CG2 3.65Å; P92-T98 HydrophobicContact CG-CG2 3.44Å; P92-T98 VanDerWaalsContact CG-CG2 3.44Å; P92-K121 WeakPolarHBondContact CD-O 3.36Å; P92-Y155 WeakPolarHBondContact O-CE1 3.41Å; P92-Y155 PolarHBondContact O-OH 3.07Å |
| 93 | R | 82.9 | Confident | 81.4 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | trans | -59.8 | 137.2 | 174.6 | -75.8 | 164 | 172.2 | -97.1 | 0.6 | 110.5 | S95 F96 R149 M150 T151 E152 C153 Y485 | R93-S95 VanDerWaalsContact C-N 3.26Å; R93-S95 PolarHBondContact O-N 2.97Å; R93-S95 VanDerWaalsContact O-N 3.09Å; R93-F96 HydrophobicContact CB-CB 4.38Å; R93-F96 WeakPolarHBondContact O-CB 3.21Å; R93-F96 PolarHBondContact O-N 2.84Å; R93-R149 PolarHBondContact NH2-O 3.13Å; R93-M150 WeakPolarHBondContact CD-O 3.49Å; R93-M150 PolarHBondContact NE-O 3.07Å; R93-T151 WeakPolarHBondContact CG-O 3.39Å; R93-T151 PolarHBondContact N-O 3.06Å; R93-E152 PolarHBondContact NE-O 3.06Å; R93-C153 HydrophobicContact CG-CB 4.13Å; R93-Y485 PolarHBondContact NH1-OH 2.66Å; R93-Y485 PolarHBondContact NH2-OH 2.82Å | ||
| 94 | P | 79.8 | Confident | 83.1 | Confident | 40 Ų | 40 | 30.5 Ų | 30.5 | 26% | 0.26 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.9 | -163.7 | -23.6 | 32.5 | 0 | 0 | 0 | 114.8 | F161 | P94-F161 HydrophobicContact CB-CD1 4.33Š|
| 95 | S | 73 | Confident | 84.8 | Confident | 63 Ų | 63 | 29.2 Ų | 29.2 | 44% | 0.441 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -17.1 | 177.1 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | R93 | R93-S95 VanDerWaalsContact C-N 3.26Å; R93-S95 PolarHBondContact O-N 2.97Å; R93-S95 VanDerWaalsContact O-N 3.09Å |
| 96 | F | 77.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 27.2 Ų | 27.2 | 18% | 0.18 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -94.3 | 132.2 | -175.3 | -176.2 | -98.8 | 0 | 0 | 0 | 110.8 | R93 T98 R118 V460 R490 | R93-F96 HydrophobicContact CB-CB 4.38Å; R93-F96 WeakPolarHBondContact O-CB 3.21Å; R93-F96 PolarHBondContact O-N 2.84Å; F96-T98 HydrophobicContact CD1-CG2 4.12Å; F96-T98 HydrophobicContact CE1-CG2 4.17Å; F96-R118 PolarHBondContact O-NH2 3.26Å; F96-V460 HydrophobicContact CE2-CG2 4.37Å; F96-R490 HydrophobicContact CE2-CB 4Å; F96-R490 HydrophobicContact CE2-CG 4.2Å; F96-R490 HydrophobicContact CZ-CB 3.87Å; F96-R490 HydrophobicContact CZ-CG 3.74Å |
| 97 | V | 84.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 11% | 0.109 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 117.2 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | F458 R490 | V97-F458 HydrophobicContact CB-CD1 4.37Å; V97-F458 HydrophobicContact CB-CE1 3.72Å; V97-F458 HydrophobicContact CG1-CE1 4.07Å; V97-F458 HydrophobicContact CG1-CZ 4.48Å; V97-F458 HydrophobicContact CG2-CE1 4.21Å; V97-R490 PolarHBondContact O-NE 3.43Å; V97-R490 VanDerWaalsContact O-NE 3.13Å |
| 98 | T | 87.8 | Confident | 87.1 | Confident | 19 Ų | 19 | 20.9 Ų | 20.9 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -74 | 152.8 | -174 | 62.1 | 0 | 0 | 0 | 0 | 113 | P92 F96 F100 S101 S102 E120 | P92-T98 HydrophobicContact CB-CG2 3.65Å; P92-T98 HydrophobicContact CG-CG2 3.44Å; P92-T98 VanDerWaalsContact CG-CG2 3.44Å; F96-T98 HydrophobicContact CD1-CG2 4.12Å; F96-T98 HydrophobicContact CE1-CG2 4.17Å; T98-F100 PolarHBondContact O-N 3.42Å; T98-S101 WeakPolarHBondContact O-CB 2.48Å; T98-S101 PolarHBondContact O-N 2.84Å; T98-S101 PolarHBondContact OG1-N 3.05Å; T98-S102 PolarHBondContact O-N 3.12Å; T98-E120 WeakPolarHBondContact CB-OE2 3.31Å; T98-E120 VanDerWaalsContact CG2-OE2 3.24Å; T98-E120 WeakPolarHBondContact CG2-OE2 3.23Å; T98-E120 PolarHBondContact N-OE1 2.85Å; T98-E120 PolarHBondContact OG1-OE2 3.44Å |
| 99 | P | 88.2 | Confident | 87.3 | Confident | 36 Ų | 36 | 26.4 Ų | 26.4 | 23% | 0.234 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.4 | -32.6 | 164.6 | -27.2 | 36.2 | 0 | 0 | 0 | 113 | S102 N103 R490 G491 D492 | P99-S102 PolarHBondContact O-N 2.85Å; P99-N103 PolarHBondContact O-N 2.99Å; P99-N103 PolarHBondContact O-ND2 2.92Å; P99-R490 HydrophobicContact CG-CG 3.99Å; P99-G491 VanDerWaalsContact CG-O 3.25Å; P99-G491 WeakPolarHBondContact CG-O 3.42Å; P99-D492 HydrophobicContact CB-CB 4.22Å; P99-D492 HydrophobicContact CG-CB 4.48Å |
| 100 | F | 89.2 | Confident | 87.4 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 170.8 | 173 | -87.9 | 0 | 0 | 0 | 111.6 | F41 T98 A104 L119 K121 V1106 L1107 | F41-F100 HydrophobicContact CD1-CZ 4.48Å; F41-F100 HydrophobicContact CE1-CE1 4.45Å; F41-F100 AromaticContact CE1-CZ 3.92Å; F41-F100 HydrophobicContact CE1-CZ 3.92Å; T98-F100 PolarHBondContact O-N 3.42Å; F100-A104 WeakPolarHBondContact O-CB 3.05Å; F100-A104 PolarHBondContact O-N 2.94Å; F100-L119 HydrophobicContact CE1-CD2 3.8Å; F100-L119 HydrophobicContact CE1-CG 4.22Å; F100-L119 HydrophobicContact CZ-CD2 4.04Å; F100-K121 HydrophobicContact CD1-CB 4.28Å; F100-K121 HydrophobicContact CE1-CB 3.81Å; F100-K121 HydrophobicContact CZ-CB 4.18Å; F100-K121 HydrophobicContact CZ-CD 4.43Å; F100-V1106 HydrophobicContact CD2-CB 4.5Å; F100-V1106 HydrophobicContact CD2-CG1 3.69Å; F100-V1106 HydrophobicContact CD2-CG2 4.18Å; F100-V1106 HydrophobicContact CE2-CG1 3.77Å; F100-V1106 HydrophobicContact CG-CG1 4.32Å; F100-V1106 HydrophobicContact CZ-CG1 4.44Å; F100-L1107 HydrophobicContact CE2-CD2 4.28Å; F100-L1107 HydrophobicContact CZ-CD2 3.86Å |
| 101 | S | 91 | Very high | 87.3 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | T98 A104 V105 R118 L119 E120 | T98-S101 WeakPolarHBondContact O-CB 2.48Å; T98-S101 PolarHBondContact O-N 2.84Å; T98-S101 PolarHBondContact OG1-N 3.05Å; S101-A104 PolarHBondContact O-N 2.94Å; S101-V105 WeakPolarHBondContact O-CB 3.24Å; S101-V105 VanDerWaalsContact O-CG2 3.25Å; S101-V105 WeakPolarHBondContact O-CG2 3.01Å; S101-V105 PolarHBondContact O-N 3.4Å; S101-R118 VanDerWaalsContact OG-CG 3.27Å; S101-R118 WeakPolarHBondContact OG-CG 3.28Å; S101-L119 VanDerWaalsContact CA-O 3.23Å; S101-L119 WeakPolarHBondContact CA-O 3.49Å; S101-L119 WeakPolarHBondContact CB-O 3.28Å; S101-L119 PolarHBondContact OG-N 3.06Å; S101-L119 PolarHBondContact OG-O 3.34Å; S101-E120 WeakPolarHBondContact CB-OE1 3.04Å |
| 102 | S | 91.2 | Very high | 87.3 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 179.5 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | T98 P99 V105 S106 R490 | T98-S102 PolarHBondContact O-N 3.12Å; P99-S102 PolarHBondContact O-N 2.85Å; S102-V105 PolarHBondContact O-N 2.93Å; S102-S106 PolarHBondContact O-N 2.84Å; S102-R490 PolarHBondContact OG-NH2 2.78Å |
| 103 | N | 91.3 | Very high | 87.4 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 178.8 | -77.6 | -92.8 | 0 | 0 | 0 | 112 | P99 V105 S106 I107 D492 E494 Y1103 V1106 | P99-N103 PolarHBondContact O-N 2.99Å; P99-N103 PolarHBondContact O-ND2 2.92Å; N103-V105 PolarHBondContact O-N 3.27Å; N103-S106 WeakPolarHBondContact O-CB 3.49Å; N103-S106 PolarHBondContact O-N 3.46Å; N103-S106 VanDerWaalsContact O-N 3.12Å; N103-I107 PolarHBondContact O-N 3.16Å; N103-D492 PolarHBondContact ND2-OD1 3.49Å; N103-E494 WeakPolarHBondContact OD1-CB 3.33Å; N103-E494 WeakPolarHBondContact OD1-CG 3.3Å; N103-E494 PolarHBondContact OD1-OE2 3.13Å; N103-Y1103 WeakPolarHBondContact CB-O 3.45Å; N103-Y1103 PolarHBondContact OD1-O 3.37Å; N103-V1106 HydrophobicContact CB-CB 3.82Å; N103-V1106 HydrophobicContact CB-CG1 4.11Å; N103-V1106 HydrophobicContact CB-CG2 3.71Å |
| 104 | A | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F100 S101 S106 I107 F108 L119 V1106 L1107 | F100-A104 WeakPolarHBondContact O-CB 3.05Å; F100-A104 PolarHBondContact O-N 2.94Å; S101-A104 PolarHBondContact O-N 2.94Å; A104-S106 VanDerWaalsContact C-N 3.31Å; A104-S106 PolarHBondContact O-N 3.44Å; A104-I107 WeakPolarHBondContact O-CB 3.41Å; A104-I107 PolarHBondContact O-N 2.94Å; A104-F108 HydrophobicContact CB-CE2 4.09Å; A104-F108 WeakPolarHBondContact O-CD2 3.24Å; A104-F108 WeakPolarHBondContact O-CE2 3.33Å; A104-F108 WeakPolarHBondContact O-CG 3.21Å; A104-F108 PolarHBondContact O-N 3.5Å; A104-L119 HydrophobicContact CB-CB 4.26Å; A104-L119 HydrophobicContact CB-CD2 3.79Å; A104-V1106 HydrophobicContact CB-CG1 3.83Å; A104-L1107 HydrophobicContact CB-CD2 4.27Å; A104-L1107 HydrophobicContact CB-CG 4.39Å |
| 105 | V | 91.3 | Very high | 88.3 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -34.4 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | S101 S102 N103 F108 R109 | S101-V105 WeakPolarHBondContact O-CB 3.24Å; S101-V105 VanDerWaalsContact O-CG2 3.25Å; S101-V105 WeakPolarHBondContact O-CG2 3.01Å; S101-V105 PolarHBondContact O-N 3.4Å; S102-V105 PolarHBondContact O-N 2.93Å; N103-V105 PolarHBondContact O-N 3.27Å; V105-F108 PolarHBondContact O-N 3.35Å; V105-R109 VanDerWaalsContact O-CB 3.23Å; V105-R109 WeakPolarHBondContact O-CB 3.5Å; V105-R109 PolarHBondContact O-N 2.81Å |
| 106 | S | 91.3 | Very high | 89 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 12% | 0.119 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 170.3 | -151 | 0 | 0 | 0 | 0 | 111.5 | S102 N103 A104 F108 R109 F110 E1055 | S102-S106 PolarHBondContact O-N 2.84Å; N103-S106 WeakPolarHBondContact O-CB 3.49Å; N103-S106 PolarHBondContact O-N 3.46Å; N103-S106 VanDerWaalsContact O-N 3.12Å; A104-S106 VanDerWaalsContact C-N 3.31Å; A104-S106 PolarHBondContact O-N 3.44Å; S106-F108 PolarHBondContact O-N 2.65Å; S106-R109 PolarHBondContact O-N 3.03Å; S106-F110 VanDerWaalsContact O-CD2 3.24Å; S106-F110 WeakPolarHBondContact O-CD2 3.47Å; S106-F110 PolarHBondContact O-N 2.78Å; S106-F110 WeakPolarHBondContact OG-CD2 3.3Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.41Å; S106-E1055 PolarHBondContact OG-OE1 3.5Å; S106-E1055 PolarHBondContact OG-OE2 3.26Å |
| 107 | I | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.5 | -53.3 | 175.4 | -65.4 | 172.7 | 0 | 0 | 0 | 110.8 | L62 N103 A104 R109 S111 Y1103 V1106 L1107 | L62-I107 HydrophobicContact CD2-CG2 3.83Å; N103-I107 PolarHBondContact O-N 3.16Å; A104-I107 WeakPolarHBondContact O-CB 3.41Å; A104-I107 PolarHBondContact O-N 2.94Å; I107-R109 PolarHBondContact O-N 2.96Å; I107-S111 WeakPolarHBondContact O-CB 3.42Å; I107-S111 PolarHBondContact O-N 2.87Å; I107-S111 PolarHBondContact O-OG 2.89Å; I107-Y1103 HydrophobicContact CB-CD1 4.31Å; I107-Y1103 HydrophobicContact CB-CE1 4.34Å; I107-Y1103 HydrophobicContact CD1-CD1 4.28Å; I107-Y1103 HydrophobicContact CD1-CG 4.02Å; I107-Y1103 HydrophobicContact CG1-CD1 3.28Å; I107-Y1103 HydrophobicContact CG1-CD2 4.04Å; I107-Y1103 HydrophobicContact CG1-CE1 3.69Å; I107-Y1103 HydrophobicContact CG1-CE2 4.42Å; I107-Y1103 HydrophobicContact CG1-CG 3.44Å; I107-Y1103 VanDerWaalsContact CG1-CG 3.44Å; I107-V1106 HydrophobicContact CD1-CG1 4.49Å; I107-V1106 VanDerWaalsContact CD1-O 3.29Å; I107-V1106 WeakPolarHBondContact CD1-O 3.2Å; I107-L1107 HydrophobicContact CD1-CB 4.18Å; I107-L1107 HydrophobicContact CD1-CD1 4.03Å; I107-L1107 HydrophobicContact CD1-CG 3.96Å; I107-L1107 HydrophobicContact CG2-CD1 4.2Å |
| 108 | F | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 179.8 | -62 | -54 | 0 | 0 | 0 | 111.4 | L59 L62 F63 A104 V105 S106 F110 S111 G112 L113 V116 L119 L1107 | L59-F108 HydrophobicContact CD2-CD1 4.17Å; L59-F108 HydrophobicContact CD2-CE1 3.54Å; L59-F108 HydrophobicContact CD2-CZ 4.18Å; L62-F108 HydrophobicContact CB-CE1 4.42Å; L62-F108 HydrophobicContact CD1-CD1 3.57Å; L62-F108 HydrophobicContact CD1-CE1 3.53Å; F63-F108 HydrophobicContact CE1-CE1 4.36Å; F63-F108 AromaticContact CE1-CZ 3.72Å; F63-F108 HydrophobicContact CE1-CZ 3.72Å; F63-F108 HydrophobicContact CZ-CE1 4.26Å; F63-F108 AromaticContact CZ-CZ 3.69Å; F63-F108 HydrophobicContact CZ-CZ 3.69Å; A104-F108 HydrophobicContact CB-CE2 4.09Å; A104-F108 WeakPolarHBondContact O-CD2 3.24Å; A104-F108 WeakPolarHBondContact O-CE2 3.33Å; A104-F108 WeakPolarHBondContact O-CG 3.21Å; A104-F108 PolarHBondContact O-N 3.5Å; V105-F108 PolarHBondContact O-N 3.35Å; S106-F108 PolarHBondContact O-N 2.65Å; F108-F110 PolarHBondContact O-N 2.82Å; F108-S111 CarbonylContact O-C 3.35Å; F108-S111 PolarHBondContact O-N 2.89Å; F108-G112 PolarHBondContact O-N 3.31Å; F108-L113 HydrophobicContact CB-CB 4.1Å; F108-L113 HydrophobicContact CD1-CD1 4.19Å; F108-L113 WeakPolarHBondContact O-CA 3.32Å; F108-L113 WeakPolarHBondContact O-CB 3.49Å; F108-L113 PolarHBondContact O-N 3.08Å; F108-V116 HydrophobicContact CB-CB 3.95Å; F108-V116 HydrophobicContact CB-CG1 4.47Å; F108-V116 HydrophobicContact CB-CG2 4.36Å; F108-V116 HydrophobicContact CD1-CG2 4.33Å; F108-V116 HydrophobicContact CD2-CB 3.82Å; F108-V116 HydrophobicContact CD2-CG1 3.38Å; F108-V116 HydrophobicContact CD2-CG2 4.38Å; F108-V116 HydrophobicContact CE2-CG1 3.7Å; F108-V116 HydrophobicContact CG-CB 3.87Å; F108-V116 HydrophobicContact CG-CG1 3.94Å; F108-V116 HydrophobicContact CG-CG2 4.11Å; F108-V116 HydrophobicContact CZ-CG1 4.47Å; F108-L119 HydrophobicContact CE2-CB 3.99Å; F108-L119 HydrophobicContact CE2-CD2 3.95Å; F108-L119 HydrophobicContact CE2-CG 4.42Å; F108-L119 HydrophobicContact CZ-CD2 4.02Å; F108-L1107 HydrophobicContact CE1-CD1 4.19Å; F108-L1107 HydrophobicContact CZ-CD1 3.97Å |
| 109 | R | 90.9 | Very high | 90 | Very high | 122 Ų | 122 | 30.8 Ų | 30.8 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60 | -48.9 | -178.3 | -173.1 | -178.5 | -173 | 178.2 | 2 | 112.2 | V105 S106 I107 G112 H114 | V105-R109 VanDerWaalsContact O-CB 3.23Å; V105-R109 WeakPolarHBondContact O-CB 3.5Å; V105-R109 PolarHBondContact O-N 2.81Å; S106-R109 PolarHBondContact O-N 3.03Å; I107-R109 PolarHBondContact O-N 2.96Å; R109-G112 PolarHBondContact O-N 3.04Å; R109-H114 PolarHBondContact O-CE1 3.29Å; R109-H114 PolarHBondContact O-ND1 3.17Å |
| 110 | F | 89.4 | Confident | 90.1 | Very high | 45 Ų | 45 | 29.1 Ų | 29.1 | 20% | 0.197 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -81 | -16.8 | -177.3 | -66 | -68.8 | 0 | 0 | 0 | 113.5 | S106 F108 G112 R587 E1055 | S106-F110 VanDerWaalsContact O-CD2 3.24Å; S106-F110 WeakPolarHBondContact O-CD2 3.47Å; S106-F110 PolarHBondContact O-N 2.78Å; S106-F110 WeakPolarHBondContact OG-CD2 3.3Å; S106-F110 VanDerWaalsContact OG-CE2 3.29Å; S106-F110 WeakPolarHBondContact OG-CE2 3.41Å; F108-F110 PolarHBondContact O-N 2.82Å; F110-G112 PolarHBondContact O-N 2.83Å; F110-R587 HydrophobicContact CE1-CG 3.94Å; F110-R587 HydrophobicContact CE2-CB 4.23Å; F110-R587 HydrophobicContact CE2-CG 4.05Å; F110-R587 HydrophobicContact CZ-CB 3.98Å; F110-R587 HydrophobicContact CZ-CG 3.61Å; F110-E1055 WeakPolarHBondContact CD2-OE1 3.34Å |
| 111 | S | 86.8 | Confident | 90 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 11.7 | 166.5 | -49.4 | 0 | 0 | 0 | 0 | 113.8 | I107 F108 L113 A1132 | I107-S111 WeakPolarHBondContact O-CB 3.42Å; I107-S111 PolarHBondContact O-N 2.87Å; I107-S111 PolarHBondContact O-OG 2.89Å; F108-S111 CarbonylContact O-C 3.35Å; F108-S111 PolarHBondContact O-N 2.89Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.37Å; S111-A1132 WeakPolarHBondContact OG-CB 3.06Å |
| 112 | G | 88.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 30.3 Ų | 30.3 | 52% | 0.515 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 5.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | F108 R109 F110 H114 | F108-G112 PolarHBondContact O-N 3.31Å; R109-G112 PolarHBondContact O-N 3.04Å; F110-G112 PolarHBondContact O-N 2.83Å; G112-H114 VanDerWaalsContact C-N 3.31Å; G112-H114 PolarHBondContact O-N 2.96Å |
| 113 | L | 89.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | trans | -93.1 | 48.4 | -177.5 | -58.5 | -177.3 | 0 | 0 | 0 | 112.3 | L55 K58 L62 F108 S111 C115 V116 F1136 | L55-L113 HydrophobicContact CD1-CD1 4.3Å; L55-L113 HydrophobicContact CD1-CD2 3.86Å; K58-L113 HydrophobicContact CB-CD1 4.16Å; K58-L113 HydrophobicContact CD-CD2 3.94Å; L62-L113 HydrophobicContact CD1-CD1 3.68Å; F108-L113 HydrophobicContact CB-CB 4.1Å; F108-L113 HydrophobicContact CD1-CD1 4.19Å; F108-L113 WeakPolarHBondContact O-CA 3.32Å; F108-L113 WeakPolarHBondContact O-CB 3.49Å; F108-L113 PolarHBondContact O-N 3.08Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-L113 PolarHBondContact O-N 3.37Å; L113-C115 PolarHBondContact O-N 2.84Å; L113-V116 PolarHBondContact O-N 2.89Å; L113-F1136 HydrophobicContact CD1-CE2 4.33Å | ||
| 114 | H | 89.9 | Confident | 89.6 | Confident | 131 Ų | 131 | 30.1 Ų | 30.1 | 61% | 0.606 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -19 | -175.4 | -53.9 | -53.3 | 0 | 0 | 0 | 115.4 | R109 G112 V116 | R109-H114 PolarHBondContact O-CE1 3.29Å; R109-H114 PolarHBondContact O-ND1 3.17Å; G112-H114 VanDerWaalsContact C-N 3.31Å; G112-H114 PolarHBondContact O-N 2.96Å; H114-V116 PolarHBondContact O-N 2.98Å |
| 115 | C | 91.3 | Very high | 89.3 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.5 | 175.4 | 62.7 | 0 | 0 | 0 | 0 | 114.7 | L45 D46 T49 L113 | L45-C115 CarbonylContact C-O 3.53Å; L45-C115 VanDerWaalsContact CA-O 3.27Å; L45-C115 WeakPolarHBondContact CA-O 3.32Å; D46-C115 PolarHBondContact N-O 3.5Å; D46-C115 VanDerWaalsContact OD2-CA 3.26Å; D46-C115 WeakPolarHBondContact OD2-CA 3.42Å; D46-C115 VanDerWaalsContact OD2-CB 3.28Å; D46-C115 WeakPolarHBondContact OD2-CB 3.4Å; T49-C115 HydrophobicContact CG2-CB 3.72Å; T49-C115 WeakPolarHBondContact OG1-CB 3.28Å; L113-C115 PolarHBondContact O-N 2.84Å |
| 116 | V | 89.4 | Confident | 88.9 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.4 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | L43 L45 F108 L113 H114 | L43-V116 HydrophobicContact CD1-CB 4.45Å; L43-V116 HydrophobicContact CD1-CG1 3.49Å; L43-V116 VanDerWaalsContact CD1-CG1 3.49Å; L43-V116 HydrophobicContact CD1-CG2 4.08Å; L45-V116 HydrophobicContact CD2-CB 4.48Å; L45-V116 HydrophobicContact CD2-CG2 3.84Å; F108-V116 HydrophobicContact CB-CB 3.95Å; F108-V116 HydrophobicContact CB-CG1 4.47Å; F108-V116 HydrophobicContact CB-CG2 4.36Å; F108-V116 HydrophobicContact CD1-CG2 4.33Å; F108-V116 HydrophobicContact CD2-CB 3.82Å; F108-V116 HydrophobicContact CD2-CG1 3.38Å; F108-V116 HydrophobicContact CD2-CG2 4.38Å; F108-V116 HydrophobicContact CE2-CG1 3.7Å; F108-V116 HydrophobicContact CG-CB 3.87Å; F108-V116 HydrophobicContact CG-CG1 3.94Å; F108-V116 HydrophobicContact CG-CG2 4.11Å; F108-V116 HydrophobicContact CZ-CG1 4.47Å; L113-V116 PolarHBondContact O-N 2.89Å; H114-V116 PolarHBondContact O-N 2.98Å |
| 117 | V | 89.3 | Confident | 88.3 | Confident | 59 Ų | 59 | 29.9 Ų | 29.9 | 36% | 0.358 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -19.3 | -172.7 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | M1 F44 D46 | M1-V117 HydrophobicContact CE-CG2 4.1Å; M1-V117 HydrophobicContact CG-CG2 4.23Å; M1-V117 HydrophobicContact SD-CG2 3.94Å; F44-V117 HydrophobicContact CB-CG2 3.86Å; F44-V117 PolarHBondContact O-N 2.83Å; D46-V117 HydrophobicContact CB-CG1 4.3Å |
| 118 | R | 89.5 | Confident | 87.5 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 11% | 0.106 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 150.3 | 175.3 | -168.7 | -178.9 | 177.5 | 179.4 | -4.8 | 110.1 | F44 F96 S101 E120 | F44-R118 HydrophobicContact CB-CB 3.87Å; F44-R118 HydrophobicContact CD2-CB 3.67Å; F44-R118 HydrophobicContact CD2-CG 4.05Å; F44-R118 WeakPolarHBondContact CD2-O 3.47Å; F44-R118 HydrophobicContact CE2-CB 4.42Å; F44-R118 HydrophobicContact CE2-CG 4.33Å; F44-R118 HydrophobicContact CG-CB 3.84Å; F44-R118 PolarHBondContact N-O 3.27Å; F96-R118 PolarHBondContact O-NH2 3.26Å; S101-R118 VanDerWaalsContact OG-CG 3.27Å; S101-R118 WeakPolarHBondContact OG-CG 3.28Å; R118-E120 HydrophobicContact CG-CG 4.46Å; R118-E120 IonicContact CZ-OE1 2.7Å; R118-E120 IonicContact NE-OE1 3.19Å; R118-E120 PolarHBondContact NE-OE1 2.86Å; R118-E120 VanDerWaalsContact NE-OE1 3.08Å; R118-E120 IonicContact NH2-OE1 3.32Å; R118-E120 PolarHBondContact NH2-OE1 3.48Å |
| 119 | L | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 113.4 | 169.9 | -178.5 | 81.1 | 0 | 0 | 0 | 110.4 | F41 Y42 L43 F63 F100 S101 A104 F108 L1107 | F41-L119 HydrophobicContact CB-CD1 4.16Å; F41-L119 HydrophobicContact CD1-CD1 4.4Å; F41-L119 HydrophobicContact CD1-CD2 4.35Å; F41-L119 HydrophobicContact CD1-CG 4.49Å; Y42-L119 WeakPolarHBondContact O-CA 3.38Å; L43-L119 HydrophobicContact CB-CD1 4.17Å; L43-L119 HydrophobicContact CD1-CD1 3.95Å; F63-L119 HydrophobicContact CE1-CD1 4.05Å; F63-L119 HydrophobicContact CE1-CD2 3.61Å; F63-L119 HydrophobicContact CE1-CG 4.5Å; F63-L119 HydrophobicContact CZ-CD1 3.66Å; F63-L119 HydrophobicContact CZ-CD2 4.06Å; F100-L119 HydrophobicContact CE1-CD2 3.8Å; F100-L119 HydrophobicContact CE1-CG 4.22Å; F100-L119 HydrophobicContact CZ-CD2 4.04Å; S101-L119 VanDerWaalsContact CA-O 3.23Å; S101-L119 WeakPolarHBondContact CA-O 3.49Å; S101-L119 WeakPolarHBondContact CB-O 3.28Å; S101-L119 PolarHBondContact OG-N 3.06Å; S101-L119 PolarHBondContact OG-O 3.34Å; A104-L119 HydrophobicContact CB-CB 4.26Å; A104-L119 HydrophobicContact CB-CD2 3.79Å; F108-L119 HydrophobicContact CE2-CB 3.99Å; F108-L119 HydrophobicContact CE2-CD2 3.95Å; F108-L119 HydrophobicContact CE2-CG 4.42Å; F108-L119 HydrophobicContact CZ-CD2 4.02Å; L119-L1107 HydrophobicContact CD2-CD2 3.74Å |
| 120 | E | 89.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 155.1 | 171.1 | -63.3 | -65.7 | 177.7 | 0 | 0 | 111.6 | F41 Y42 T98 S101 R118 F161 | F41-E120 CarbonylContact C-O 3.59Å; F41-E120 WeakPolarHBondContact CA-O 3.45Å; Y42-E120 PolarHBondContact N-O 2.97Å; Y42-E120 PolarHBondContact O-N 2.84Å; Y42-E120 VanDerWaalsContact O-N 3.12Å; T98-E120 WeakPolarHBondContact CB-OE2 3.31Å; T98-E120 VanDerWaalsContact CG2-OE2 3.24Å; T98-E120 WeakPolarHBondContact CG2-OE2 3.23Å; T98-E120 PolarHBondContact N-OE1 2.85Å; T98-E120 PolarHBondContact OG1-OE2 3.44Å; S101-E120 WeakPolarHBondContact CB-OE1 3.04Å; R118-E120 HydrophobicContact CG-CG 4.46Å; R118-E120 IonicContact CZ-OE1 2.7Å; R118-E120 IonicContact NE-OE1 3.19Å; R118-E120 PolarHBondContact NE-OE1 2.86Å; R118-E120 VanDerWaalsContact NE-OE1 3.08Å; R118-E120 IonicContact NH2-OE1 3.32Å; R118-E120 PolarHBondContact NH2-OE1 3.48Å; E120-F161 HydrophobicContact CB-CE1 4.09Å; E120-F161 HydrophobicContact CB-CZ 4.01Å; E120-F161 HydrophobicContact CG-CD1 4.41Å; E120-F161 HydrophobicContact CG-CE1 3.87Å; E120-F161 HydrophobicContact CG-CZ 4.3Å |
| 121 | K | 88.1 | Confident | 84.3 | Confident | 66 Ų | 66 | 38.9 Ų | 38.9 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.3 | 179.4 | -179.8 | -176.1 | 65.7 | 179.1 | 0 | 110.2 | Y39 F41 P92 F100 | Y39-K121 HydrophobicContact CD1-CD 4.03Å; Y39-K121 HydrophobicContact CD1-CG 4.22Å; Y39-K121 HydrophobicContact CE1-CD 4.41Å; Y39-K121 HydrophobicContact CG-CD 4.33Å; F41-K121 HydrophobicContact CD1-CB 3.98Å; F41-K121 HydrophobicContact CD1-CG 4.1Å; F41-K121 HydrophobicContact CE1-CB 3.85Å; F41-K121 HydrophobicContact CE1-CD 3.66Å; F41-K121 HydrophobicContact CE1-CG 3.65Å; F41-K121 HydrophobicContact CZ-CD 3.89Å; F41-K121 HydrophobicContact CZ-CG 4.09Å; P92-K121 WeakPolarHBondContact CD-O 3.36Å; F100-K121 HydrophobicContact CD1-CB 4.28Å; F100-K121 HydrophobicContact CE1-CB 3.81Å; F100-K121 HydrophobicContact CZ-CB 4.18Å; F100-K121 HydrophobicContact CZ-CD 4.43Å |
| 122 | S | 89.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 167.1 | 167.8 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | Y39 C40 E89 V90 | Y39-S122 WeakPolarHBondContact CA-O 3.46Å; C40-S122 WeakPolarHBondContact CB-OG 3.48Å; C40-S122 PolarHBondContact N-O 2.96Å; C40-S122 PolarHBondContact O-N 3.11Å; C40-S122 PolarHBondContact O-OG 3.49Å; E89-S122 PolarHBondContact OE1-OG 3.11Å; V90-S122 CarbonylContact O-C 3.23Å; V90-S122 VanDerWaalsContact O-CA 3.32Å; V90-S122 WeakPolarHBondContact O-CA 3.19Å; V90-S122 VanDerWaalsContact O-CB 3.23Å; V90-S122 WeakPolarHBondContact O-CB 3.46Å |
| 123 | V | 87.1 | Confident | 82.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.3 | 171.5 | -166.4 | 0 | 0 | 0 | 0 | 108.9 | A11 V13 A37 Y39 E89 V90 Y125 | A11-V123 HydrophobicContact CB-CG1 4.15Å; V13-V123 HydrophobicContact CG2-CG1 3.8Å; A37-V123 HydrophobicContact CB-CG1 4.1Å; Y39-V123 HydrophobicContact CD1-CG2 3.97Å; Y39-V123 HydrophobicContact CE1-CG2 3.88Å; E89-V123 WeakPolarHBondContact CA-O 3.39Å; V90-V123 PolarHBondContact N-O 2.78Å; V90-V123 PolarHBondContact O-N 2.98Å; V123-Y125 HydrophobicContact CB-CE2 3.7Å; V123-Y125 HydrophobicContact CG1-CD2 4.35Å; V123-Y125 HydrophobicContact CG1-CE1 4.14Å; V123-Y125 HydrophobicContact CG1-CE2 3.69Å; V123-Y125 WeakPolarHBondContact O-CE2 3.45Å |
| 124 | R | 87.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135.4 | 173.6 | -69.4 | -179.6 | 65.5 | -178.2 | -4.7 | 109.5 | A37 E38 C40 S76 F78 L87 F88 E89 | A37-R124 CarbonylContact C-O 3.57Å; A37-R124 WeakPolarHBondContact CA-O 3.44Å; E38-R124 HydrophobicContact CG-CB 3.77Å; E38-R124 HydrophobicContact CG-CG 4.49Å; E38-R124 PolarHBondContact N-O 3.43Å; E38-R124 PolarHBondContact O-N 2.93Å; E38-R124 WeakPolarHBondContact OE1-CD 3.24Å; E38-R124 IonicContact OE1-CZ 3.16Å; E38-R124 IonicContact OE1-NE 2.8Å; E38-R124 PolarHBondContact OE1-NE 2.86Å; E38-R124 IonicContact OE1-NH1 3.64Å; E38-R124 PolarHBondContact OE1-NH1 2.87Å; C40-R124 HydrophobicContact CB-CG 4.26Å; S76-R124 PolarHBondContact OG-NH1 3.48Å; S76-R124 PolarHBondContact OG-NH2 3.2Å; S76-R124 VanDerWaalsContact OG-NH2 3.12Å; F78-R124 HydrophobicContact CD2-CB 4.39Å; F78-R124 HydrophobicContact CE2-CB 4.49Å; L87-R124 HydrophobicContact CD1-CB 4.49Å; L87-R124 VanDerWaalsContact CD2-NH2 3.27Å; F88-R124 WeakPolarHBondContact O-CA 3.35Å; E89-R124 HydrophobicContact CB-CG 3.91Å; E89-R124 HydrophobicContact CG-CG 3.52Å; E89-R124 WeakPolarHBondContact OE2-CD 3.36Å; E89-R124 WeakPolarHBondContact OE2-CG 3.33Å; E89-R124 IonicContact OE2-NE 2.95Å |
| 125 | Y | 84.5 | Confident | 80.1 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.7 | -175.7 | -64.3 | -90.8 | 0 | 0 | 0 | 110.1 | V13 F35 E36 A37 L87 F88 V90 V123 L146 | V13-Y125 HydrophobicContact CB-CE1 4.17Å; V13-Y125 HydrophobicContact CG1-CE1 3.97Å; V13-Y125 HydrophobicContact CG2-CE1 3.68Å; F35-Y125 HydrophobicContact CD2-CD1 4.43Å; E36-Y125 WeakPolarHBondContact O-CA 3.25Å; A37-Y125 HydrophobicContact CB-CD1 4.41Å; L87-Y125 WeakPolarHBondContact CA-O 3.36Å; F88-Y125 AromaticContact CD2-CD2 3.81Å; F88-Y125 HydrophobicContact CD2-CD2 3.81Å; F88-Y125 HydrophobicContact CD2-CG 4.16Å; F88-Y125 HydrophobicContact CE1-CG 4.36Å; F88-Y125 HydrophobicContact CE2-CD1 4.37Å; F88-Y125 AromaticContact CE2-CD2 3.42Å; F88-Y125 HydrophobicContact CE2-CD2 3.42Å; F88-Y125 VanDerWaalsContact CE2-CD2 3.42Å; F88-Y125 HydrophobicContact CE2-CE2 4.2Å; F88-Y125 AromaticContact CE2-CG 3.53Å; F88-Y125 HydrophobicContact CE2-CG 3.53Å; F88-Y125 HydrophobicContact CZ-CD1 4.26Å; F88-Y125 HydrophobicContact CZ-CD2 4.05Å; F88-Y125 AromaticContact CZ-CG 3.64Å; F88-Y125 HydrophobicContact CZ-CG 3.64Å; F88-Y125 PolarHBondContact N-O 2.88Å; F88-Y125 PolarHBondContact O-N 2.61Å; V90-Y125 HydrophobicContact CB-CE2 4.16Å; V90-Y125 HydrophobicContact CG2-CD2 4.46Å; V90-Y125 HydrophobicContact CG2-CE2 4.13Å; V123-Y125 HydrophobicContact CB-CE2 3.7Å; V123-Y125 HydrophobicContact CG1-CD2 4.35Å; V123-Y125 HydrophobicContact CG1-CE1 4.14Å; V123-Y125 HydrophobicContact CG1-CE2 3.69Å; V123-Y125 WeakPolarHBondContact O-CE2 3.45Å; Y125-L146 HydrophobicContact CD1-CD1 4.12Å; Y125-L146 HydrophobicContact CE1-CD1 3.4Å; Y125-L146 VanDerWaalsContact CE1-CD1 3.4Å; Y125-L146 HydrophobicContact CE2-CD1 4.44Å |
| 126 | R | 82.7 | Confident | 79.1 | Confident | 36 Ų | 36 | 44.4 Ų | 44.4 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 101.6 | 168.8 | 178.6 | 172.9 | 78.2 | 165.7 | 5.3 | 108.9 | F35 E36 F78 H85 | F35-R126 CarbonylContact C-O 3.59Å; F35-R126 WeakPolarHBondContact CA-O 3.38Å; E36-R126 PolarHBondContact N-O 3.11Å; E36-R126 PolarHBondContact O-N 3.38Å; E36-R126 IonicContact OE1-CZ 3.17Å; E36-R126 IonicContact OE1-NE 3.26Å; E36-R126 IonicContact OE1-NH2 3.26Å; E36-R126 PolarHBondContact OE1-NH2 3.04Å; E36-R126 IonicContact OE2-CZ 2.69Å; E36-R126 IonicContact OE2-NH2 2.78Å; E36-R126 PolarHBondContact OE2-NH2 3.37Å; E36-R126 VanDerWaalsContact OE2-NH2 3.14Å; F78-R126 HydrophobicContact CD1-CB 3.92Å; F78-R126 HydrophobicContact CD1-CG 4.42Å; F78-R126 HydrophobicContact CD2-CB 4.03Å; F78-R126 HydrophobicContact CE1-CB 3.86Å; F78-R126 HydrophobicContact CE2-CB 3.95Å; F78-R126 HydrophobicContact CG-CB 4.02Å; F78-R126 HydrophobicContact CZ-CB 3.87Å; H85-R126 HydrophobicContact CB-CG 4.3Å |
| 127 | L | 79.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 130.1 | 171.7 | 179 | 64 | 0 | 0 | 0 | 110.1 | P33 H85 F86 F88 A135 M138 I142 | P33-L127 HydrophobicContact CB-CD1 3.67Å; H85-L127 WeakPolarHBondContact CA-O 3.46Å; F86-L127 HydrophobicContact CB-CB 4.22Å; F86-L127 PolarHBondContact N-O 2.98Å; F86-L127 PolarHBondContact O-N 3.37Å; F88-L127 HydrophobicContact CE1-CB 4.49Å; L127-A135 HydrophobicContact CD2-CB 4.44Å; L127-M138 HydrophobicContact CD1-SD 3.97Å; L127-M138 HydrophobicContact CD2-CB 4.29Å; L127-M138 HydrophobicContact CD2-CG 4.12Å; L127-M138 HydrophobicContact CD2-SD 4.1Å; L127-I142 HydrophobicContact CD1-CD1 4.04Å; L127-I142 HydrophobicContact CD2-CD1 4.34Å |
| 128 | I | 73.2 | Confident | 77.3 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 32% | 0.323 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.7 | 168.7 | -54.2 | 163.8 | 0 | 0 | 0 | 107.3 | R34 | R34-I128 HydrophobicContact CB-CB 4.23Å; R34-I128 HydrophobicContact CB-CD1 4.03Å; R34-I128 VanDerWaalsContact O-CB 3.22Å; R34-I128 WeakPolarHBondContact O-CB 3.15Å; R34-I128 VanDerWaalsContact O-CG1 3.31Å; R34-I128 WeakPolarHBondContact O-CG1 3.45Å; R34-I128 PolarHBondContact O-N 3.23Å |
| 129 | A | 67.7 | Low | 76.7 | Confident | 22 Ų | 22 | 50 Ų | 50 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -138.5 | 163.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A135 | A129-A135 HydrophobicContact CB-CB 3.62Š| ||
| 130 | E | 66.9 | Low | 76.1 | Confident | 183 Ų | 183 | 54.4 Ų | 54.4 | 86% | 0.855 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -88.3 | -23.3 | -176.7 | -60.1 | -168.6 | 164.7 | 0 | 0 | 113.2 | ||
| 131 | D | 69.6 | Low | 75.2 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -144.9 | 166.2 | 171.3 | 68.7 | 55.9 | 0 | 0 | 0 | 112.7 | Q133 S134 A135 | D131-Q133 PolarHBondContact O-N 3.02Å; D131-Q133 PolarHBondContact OD1-N 3.17Å; D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 PolarHBondContact O-OG 3.38Å; D131-S134 VanDerWaalsContact OD1-CB 3.31Å; D131-S134 WeakPolarHBondContact OD1-CB 3.26Å; D131-S134 PolarHBondContact OD1-N 2.99Å; D131-S134 PolarHBondContact OD1-OG 3.49Å; D131-A135 WeakPolarHBondContact O-CB 3.33Å; D131-A135 PolarHBondContact O-N 3.49Å |
| 132 | D | 66.9 | Low | 74.3 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 56% | 0.556 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70.9 | -26 | -176.3 | -73.6 | -20.5 | 0 | 0 | 0 | 114.3 | F86 A136 | F86-D132 HydrophobicContact CE2-CB 4.25Å; F86-D132 VanDerWaalsContact CE2-OD1 3.27Å; F86-D132 WeakPolarHBondContact CE2-OD1 3.32Å; F86-D132 HydrophobicContact CZ-CB 3.84Å; F86-D132 WeakPolarHBondContact CZ-O 3.41Å; F86-D132 WeakPolarHBondContact CZ-OD1 3.47Å; D132-A136 PolarHBondContact O-N 2.94Å |
| 133 | Q | 65.8 | Low | 73.6 | Confident | 144 Ų | 144 | 54.5 Ų | 54.5 | 67% | 0.673 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -86 | -46.6 | -170.7 | -173.4 | 170.8 | -14.9 | 0 | 0 | 111.1 | D131 A135 A136 E137 | D131-Q133 PolarHBondContact O-N 3.02Å; D131-Q133 PolarHBondContact OD1-N 3.17Å; Q133-A135 VanDerWaalsContact C-N 3.25Å; Q133-A135 PolarHBondContact O-N 2.97Å; Q133-A136 PolarHBondContact O-N 3.46Å; Q133-E137 PolarHBondContact O-N 3.09Å |
| 134 | S | 66.6 | Low | 72.8 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 169.5 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | D131 A136 E137 M138 | D131-S134 VanDerWaalsContact CG-OG 3.23Å; D131-S134 PolarHBondContact O-OG 3.38Å; D131-S134 VanDerWaalsContact OD1-CB 3.31Å; D131-S134 WeakPolarHBondContact OD1-CB 3.26Å; D131-S134 PolarHBondContact OD1-N 2.99Å; D131-S134 PolarHBondContact OD1-OG 3.49Å; S134-A136 VanDerWaalsContact C-N 3.35Å; S134-A136 PolarHBondContact O-N 3.4Å; S134-E137 PolarHBondContact O-N 3.3Å; S134-M138 WeakPolarHBondContact O-CB 3.36Å; S134-M138 PolarHBondContact O-N 3.43Å |
| 135 | A | 67.1 | Low | 71.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F86 L127 A129 D131 Q133 K139 | F86-A135 HydrophobicContact CB-CB 4.41Å; F86-A135 HydrophobicContact CD1-CB 4.08Å; F86-A135 HydrophobicContact CD2-CB 3.29Å; F86-A135 HydrophobicContact CE1-CB 4.2Å; F86-A135 HydrophobicContact CE2-CB 3.45Å; F86-A135 VanDerWaalsContact CE2-CB 3.45Å; F86-A135 HydrophobicContact CG-CB 3.64Å; F86-A135 HydrophobicContact CZ-CB 3.92Å; L127-A135 HydrophobicContact CD2-CB 4.44Å; A129-A135 HydrophobicContact CB-CB 3.62Å; D131-A135 WeakPolarHBondContact O-CB 3.33Å; D131-A135 PolarHBondContact O-N 3.49Å; Q133-A135 VanDerWaalsContact C-N 3.25Å; Q133-A135 PolarHBondContact O-N 2.97Å; A135-K139 WeakPolarHBondContact O-CB 3.33Å; A135-K139 PolarHBondContact O-N 2.87Å |
| 136 | A | 70.8 | Confident | 71.2 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 33% | 0.331 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.8 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D132 Q133 S134 N140 | D132-A136 PolarHBondContact O-N 2.94Å; Q133-A136 PolarHBondContact O-N 3.46Å; S134-A136 VanDerWaalsContact C-N 3.35Å; S134-A136 PolarHBondContact O-N 3.4Å; A136-N140 PolarHBondContact O-N 3.41Å; A136-N140 PolarHBondContact O-ND2 3.18Å; A136-N140 VanDerWaalsContact O-ND2 3.07Å |
| 137 | E | 70.5 | Confident | 70.8 | Confident | 132 Ų | 132 | 62 Ų | 62 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.9 | -45.6 | 174.9 | -67.3 | -177.3 | -178.8 | 0 | 0 | 111 | Q133 S134 K139 N140 E141 | Q133-E137 PolarHBondContact O-N 3.09Å; S134-E137 PolarHBondContact O-N 3.3Å; E137-K139 PolarHBondContact O-N 3.37Å; E137-N140 PolarHBondContact O-N 2.98Å; E137-N140 VanDerWaalsContact O-N 3.16Å; E137-E141 PolarHBondContact O-N 3.02Å |
| 138 | M | 70.3 | Confident | 70.6 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.4 | -174.1 | 178.5 | -73.2 | 0 | 0 | 112.6 | L30 P33 L127 S134 E141 I142 | L30-M138 HydrophobicContact CD2-CE 4.05Å; P33-M138 HydrophobicContact CB-SD 3.71Å; P33-M138 HydrophobicContact CG-SD 4.34Å; L127-M138 HydrophobicContact CD1-SD 3.97Å; L127-M138 HydrophobicContact CD2-CB 4.29Å; L127-M138 HydrophobicContact CD2-CG 4.12Å; L127-M138 HydrophobicContact CD2-SD 4.1Å; S134-M138 WeakPolarHBondContact O-CB 3.36Å; S134-M138 PolarHBondContact O-N 3.43Å; M138-E141 PolarHBondContact O-N 2.79Å; M138-I142 HydrophobicContact CG-CD1 3.71Å; M138-I142 HydrophobicContact CG-CG1 4.32Å; M138-I142 WeakPolarHBondContact O-CB 3.45Å; M138-I142 VanDerWaalsContact O-CG1 3.22Å; M138-I142 WeakPolarHBondContact O-CG1 3.2Å; M138-I142 PolarHBondContact O-N 3.47Å; M138-I142 HydrophobicContact SD-CD1 4.47Å |
| 139 | K | 76.7 | Confident | 70.7 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 170.5 | 170.7 | -172.2 | 167.5 | -175.4 | 0 | 110.8 | F88 A135 E137 E141 I142 I143 E154 | F88-K139 HydrophobicContact CB-CD 4.28Å; F88-K139 HydrophobicContact CD1-CD 4.22Å; F88-K139 HydrophobicContact CD1-CG 3.89Å; F88-K139 HydrophobicContact CE1-CG 4.2Å; F88-K139 HydrophobicContact CG-CD 4.4Å; F88-K139 HydrophobicContact CG-CG 4.21Å; A135-K139 WeakPolarHBondContact O-CB 3.33Å; A135-K139 PolarHBondContact O-N 2.87Å; E137-K139 PolarHBondContact O-N 3.37Å; K139-E141 VanDerWaalsContact C-N 3.27Å; K139-E141 PolarHBondContact O-N 3.39Å; K139-I142 PolarHBondContact O-N 3.4Å; K139-I143 HydrophobicContact CD-CD1 4.27Å; K139-I143 VanDerWaalsContact CE-CD1 3.42Å; K139-I143 HydrophobicContact CG-CD1 3.74Å; K139-I143 HydrophobicContact CG-CG1 4.36Å; K139-I143 WeakPolarHBondContact O-CB 3.25Å; K139-I143 WeakPolarHBondContact O-CG1 3.24Å; K139-I143 PolarHBondContact O-N 2.98Å; K139-E154 WeakPolarHBondContact CE-OE1 3.29Å; K139-E154 VanDerWaalsContact CE-OE2 3.29Å; K139-E154 WeakPolarHBondContact CE-OE2 3.1Å; K139-E154 VanDerWaalsContact NZ-CD 3.31Å; K139-E154 IonicContact NZ-OE1 3.64Å; K139-E154 PolarHBondContact NZ-OE1 2.93Å; K139-E154 IonicContact NZ-OE2 3.75Å; K139-E154 PolarHBondContact NZ-OE2 3.04Å |
| 140 | N | 76.9 | Confident | 71 | Confident | 91 Ų | 91 | 65 Ų | 65 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | -177.3 | -74.6 | -38.6 | 0 | 0 | 0 | 111.8 | A136 E137 R144 | A136-N140 PolarHBondContact O-N 3.41Å; A136-N140 PolarHBondContact O-ND2 3.18Å; A136-N140 VanDerWaalsContact O-ND2 3.07Å; E137-N140 PolarHBondContact O-N 2.98Å; E137-N140 VanDerWaalsContact O-N 3.16Å; N140-R144 WeakPolarHBondContact O-CB 3.43Å; N140-R144 PolarHBondContact O-N 2.88Å; N140-R144 VanDerWaalsContact O-N 3.08Å |
| 141 | E | 70.8 | Confident | 71.3 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.5 | -49.5 | 174.9 | -168.5 | 54.2 | -131.5 | 0 | 0 | 112.3 | E137 M138 K139 I143 R144 Q145 | E137-E141 PolarHBondContact O-N 3.02Å; M138-E141 PolarHBondContact O-N 2.79Å; K139-E141 VanDerWaalsContact C-N 3.27Å; K139-E141 PolarHBondContact O-N 3.39Å; E141-I143 VanDerWaalsContact C-N 3.29Å; E141-I143 PolarHBondContact O-N 2.69Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-R144 VanDerWaalsContact O-N 3.1Å; E141-R144 IonicContact OE1-NH1 2.95Å; E141-R144 IonicContact OE2-CZ 3.78Å; E141-R144 IonicContact OE2-NH1 2.65Å; E141-R144 PolarHBondContact OE2-NH1 3.27Å; E141-R144 IonicContact OE2-NH2 3.72Å; E141-R144 PolarHBondContact OE2-NH2 2.76Å; E141-Q145 PolarHBondContact O-N 3.49Å; E141-Q145 PolarHBondContact OE1-NE2 3.07Å |
| 142 | I | 69.8 | Low | 72 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.8 | -44 | 176.6 | -71.3 | 167.7 | 0 | 0 | 0 | 110.7 | F19 P33 F88 L127 M138 K139 L146 | F19-I142 HydrophobicContact CZ-CG1 3.96Å; P33-I142 HydrophobicContact CB-CD1 4.43Å; P33-I142 HydrophobicContact CG-CD1 4.34Å; F88-I142 HydrophobicContact CE2-CG2 4.38Å; F88-I142 HydrophobicContact CZ-CB 4.47Å; F88-I142 HydrophobicContact CZ-CG2 3.73Å; L127-I142 HydrophobicContact CD1-CD1 4.04Å; L127-I142 HydrophobicContact CD2-CD1 4.34Å; M138-I142 HydrophobicContact CG-CD1 3.71Å; M138-I142 HydrophobicContact CG-CG1 4.32Å; M138-I142 WeakPolarHBondContact O-CB 3.45Å; M138-I142 VanDerWaalsContact O-CG1 3.22Å; M138-I142 WeakPolarHBondContact O-CG1 3.2Å; M138-I142 PolarHBondContact O-N 3.47Å; M138-I142 HydrophobicContact SD-CD1 4.47Å; K139-I142 PolarHBondContact O-N 3.4Å; I142-L146 HydrophobicContact CG2-CD1 3.46Å; I142-L146 VanDerWaalsContact CG2-CD1 3.46Å; I142-L146 HydrophobicContact CG2-CG 4.08Å; I142-L146 WeakPolarHBondContact O-CB 3.15Å; I142-L146 VanDerWaalsContact O-CG 3.32Å; I142-L146 WeakPolarHBondContact O-CG 3.05Å; I142-L146 PolarHBondContact O-N 3.08Å |
| 143 | I | 73.8 | Confident | 72.9 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 175.4 | -71.7 | 174.9 | 0 | 0 | 0 | 110.6 | F88 K139 E141 Q145 L146 H147 E154 | F88-I143 HydrophobicContact CB-CD1 4.39Å; F88-I143 HydrophobicContact CD2-CD1 3.65Å; F88-I143 HydrophobicContact CD2-CG1 3.61Å; F88-I143 HydrophobicContact CE2-CD1 4.09Å; F88-I143 HydrophobicContact CE2-CG1 3.52Å; F88-I143 HydrophobicContact CG-CD1 4.09Å; F88-I143 HydrophobicContact CG-CG1 4.42Å; F88-I143 HydrophobicContact CZ-CG1 4.28Å; K139-I143 HydrophobicContact CD-CD1 4.27Å; K139-I143 VanDerWaalsContact CE-CD1 3.42Å; K139-I143 HydrophobicContact CG-CD1 3.74Å; K139-I143 HydrophobicContact CG-CG1 4.36Å; K139-I143 WeakPolarHBondContact O-CB 3.25Å; K139-I143 WeakPolarHBondContact O-CG1 3.24Å; K139-I143 PolarHBondContact O-N 2.98Å; E141-I143 VanDerWaalsContact C-N 3.29Å; E141-I143 PolarHBondContact O-N 2.69Å; I143-Q145 PolarHBondContact O-N 3.2Å; I143-Q145 VanDerWaalsContact O-N 3.17Å; I143-L146 PolarHBondContact O-N 2.83Å; I143-H147 PolarHBondContact O-N 2.92Å; I143-H147 PolarHBondContact O-ND1 3.12Å; I143-E154 HydrophobicContact CD1-CB 4.35Å; I143-E154 HydrophobicContact CD1-CG 3.9Å; I143-E154 VanDerWaalsContact CD1-OE2 3.26Å; I143-E154 WeakPolarHBondContact CD1-OE2 3.22Å |
| 144 | R | 71.8 | Confident | 74 | Confident | 154 Ų | 154 | 48.3 Ų | 48.3 | 58% | 0.581 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.1 | -30.7 | -176.4 | -150.7 | -171.2 | -46.1 | 120 | 17 | 112.7 | N140 E141 | N140-R144 WeakPolarHBondContact O-CB 3.43Å; N140-R144 PolarHBondContact O-N 2.88Å; N140-R144 VanDerWaalsContact O-N 3.08Å; E141-R144 PolarHBondContact O-N 3.32Å; E141-R144 VanDerWaalsContact O-N 3.1Å; E141-R144 IonicContact OE1-NH1 2.95Å; E141-R144 IonicContact OE2-CZ 3.78Å; E141-R144 IonicContact OE2-NH1 2.65Å; E141-R144 PolarHBondContact OE2-NH1 3.27Å; E141-R144 IonicContact OE2-NH2 3.72Å; E141-R144 PolarHBondContact OE2-NH2 2.76Å |
| 145 | Q | 68 | Low | 74.9 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -82.5 | -49.6 | 172.1 | -64 | -172.4 | 28.6 | 0 | 0 | 112.5 | K18 F19 E141 I143 | K18-Q145 HydrophobicContact CB-CB 4.26Å; K18-Q145 HydrophobicContact CD-CB 4.41Å; K18-Q145 WeakPolarHBondContact CD-O 3.44Å; K18-Q145 WeakPolarHBondContact CE-O 3.44Å; K18-Q145 PolarHBondContact NZ-O 2.93Å; F19-Q145 VanDerWaalsContact CD2-OE1 3.28Å; E141-Q145 PolarHBondContact O-N 3.49Å; E141-Q145 PolarHBondContact OE1-NE2 3.07Å; I143-Q145 PolarHBondContact O-N 3.2Å; I143-Q145 VanDerWaalsContact O-N 3.17Å |
| 146 | L | 69.6 | Low | 75.4 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.5 | -52 | -168.2 | -81.9 | -178.7 | 0 | 0 | 0 | 114.3 | V13 L15 K18 Y125 I142 I143 | V13-L146 HydrophobicContact CG1-CD1 4.21Å; V13-L146 HydrophobicContact CG1-CD2 3.55Å; L15-L146 HydrophobicContact CD2-CD1 4.06Å; L15-L146 HydrophobicContact CD2-CD2 3.57Å; L15-L146 HydrophobicContact CD2-CG 4.05Å; K18-L146 PolarHBondContact NZ-O 2.86Å; Y125-L146 HydrophobicContact CD1-CD1 4.12Å; Y125-L146 HydrophobicContact CE1-CD1 3.4Å; Y125-L146 VanDerWaalsContact CE1-CD1 3.4Å; Y125-L146 HydrophobicContact CE2-CD1 4.44Å; I142-L146 HydrophobicContact CG2-CD1 3.46Å; I142-L146 VanDerWaalsContact CG2-CD1 3.46Å; I142-L146 HydrophobicContact CG2-CG 4.08Å; I142-L146 WeakPolarHBondContact O-CB 3.15Å; I142-L146 VanDerWaalsContact O-CG 3.32Å; I142-L146 WeakPolarHBondContact O-CG 3.05Å; I142-L146 PolarHBondContact O-N 3.08Å; I143-L146 PolarHBondContact O-N 2.83Å |
| 147 | H | 75.3 | Confident | 75.6 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78.8 | 149.6 | -174.7 | 86.8 | -62.4 | 0 | 0 | 0 | 112.2 | V90 I143 R149 E152 | V90-H147 HydrophobicContact CG1-CB 3.43Å; V90-H147 VanDerWaalsContact CG1-CB 3.43Å; I143-H147 PolarHBondContact O-N 2.92Å; I143-H147 PolarHBondContact O-ND1 3.12Å; H147-R149 PolarHBondContact O-N 3.09Å; H147-E152 VanDerWaalsContact CA-OE2 3.26Å; H147-E152 WeakPolarHBondContact CA-OE2 3.46Å; H147-E152 HydrophobicContact CB-CB 4.08Å |
| 148 | D | 74.3 | Confident | 75.6 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | trans | -75.6 | 110.1 | 159.5 | 172.8 | 20.1 | 0 | 0 | 0 | 109.2 | M150 T151 E152 | D148-M150 PolarHBondContact O-N 2.98Å; D148-M150 WeakPolarHBondContact OD1-CB 3.45Å; D148-M150 PolarHBondContact OD1-N 2.78Å; D148-T151 WeakPolarHBondContact CB-OG1 3.36Å; D148-T151 PolarHBondContact O-N 3.19Å; D148-T151 WeakPolarHBondContact OD2-CB 3.08Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.33Å; D148-T151 PolarHBondContact OD2-N 3.14Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; D148-E152 PolarHBondContact N-OE2 3.14Å; D148-E152 WeakPolarHBondContact O-CA 3.37Å; D148-E152 WeakPolarHBondContact O-CB 3.47Å; D148-E152 PolarHBondContact O-N 2.92Å | ||
| 149 | R | 76.4 | Confident | 75.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -23 | 176.9 | 71.7 | -178.8 | -172.1 | 176.1 | 2.9 | 113.7 | R93 H147 C373 S374 L483 | R93-R149 PolarHBondContact NH2-O 3.13Å; H147-R149 PolarHBondContact O-N 3.09Å; R149-C373 PolarHBondContact NH2-O 2.84Å; R149-S374 PolarHBondContact NH2-O 3.42Å; R149-L483 HydrophobicContact CB-CD1 4.04Å; R149-L483 HydrophobicContact CG-CD1 3.99Å; R149-L483 HydrophobicContact CG-CD2 4.4Å; R149-L483 WeakPolarHBondContact O-CD1 3.27Å |
| 150 | M | 72.3 | Confident | 75.6 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -45.3 | -176.8 | -56.3 | -52.5 | -61.4 | 0 | 0 | 112.7 | R93 D148 V317 C318 L483 E484 Y485 V488 | R93-M150 WeakPolarHBondContact CD-O 3.49Å; R93-M150 PolarHBondContact NE-O 3.07Å; D148-M150 PolarHBondContact O-N 2.98Å; D148-M150 WeakPolarHBondContact OD1-CB 3.45Å; D148-M150 PolarHBondContact OD1-N 2.78Å; M150-V317 HydrophobicContact CE-CG1 3.78Å; M150-V317 HydrophobicContact SD-CG1 4.41Å; M150-C318 HydrophobicContact CB-CB 4.45Å; M150-C318 HydrophobicContact CG-CB 4.17Å; M150-L483 HydrophobicContact CE-CB 4.01Å; M150-L483 HydrophobicContact SD-CB 3.94Å; M150-L483 HydrophobicContact SD-CD1 4.13Å; M150-L483 HydrophobicContact SD-CD2 4.07Å; M150-L483 HydrophobicContact SD-CG 4.27Å; M150-E484 WeakPolarHBondContact CE-O 3.33Å; M150-Y485 HydrophobicContact CE-CD1 4.37Å; M150-V488 HydrophobicContact CB-CG1 4.38Å; M150-V488 HydrophobicContact CB-CG2 3.74Å; M150-V488 HydrophobicContact CE-CG2 3.42Å; M150-V488 VanDerWaalsContact CE-CG2 3.42Å; M150-V488 HydrophobicContact CG-CG2 4.41Å |
| 151 | T | 74.8 | Confident | 75.6 | Confident | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -24.7 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | R93 D148 V488 | R93-T151 WeakPolarHBondContact CG-O 3.39Å; R93-T151 PolarHBondContact N-O 3.06Å; D148-T151 WeakPolarHBondContact CB-OG1 3.36Å; D148-T151 PolarHBondContact O-N 3.19Å; D148-T151 WeakPolarHBondContact OD2-CB 3.08Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.33Å; D148-T151 PolarHBondContact OD2-N 3.14Å; D148-T151 PolarHBondContact OD2-OG1 2.91Å; T151-V488 HydrophobicContact CG2-CG1 3.62Å |
| 152 | E | 83.6 | Confident | 75.5 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 170.5 | -175.7 | -61.4 | -179.3 | 126.5 | 0 | 0 | 112.1 | V90 G91 R93 H147 D148 | V90-E152 HydrophobicContact CG1-CB 4.3Å; G91-E152 CarbonylContact O-C 3.56Å; G91-E152 VanDerWaalsContact O-CA 3.23Å; G91-E152 WeakPolarHBondContact O-CA 3.47Å; G91-E152 WeakPolarHBondContact O-CB 3.3Å; R93-E152 PolarHBondContact NE-O 3.06Å; H147-E152 VanDerWaalsContact CA-OE2 3.26Å; H147-E152 WeakPolarHBondContact CA-OE2 3.46Å; H147-E152 HydrophobicContact CB-CB 4.08Å; D148-E152 PolarHBondContact N-OE2 3.14Å; D148-E152 WeakPolarHBondContact O-CA 3.37Å; D148-E152 WeakPolarHBondContact O-CB 3.47Å; D148-E152 PolarHBondContact O-N 2.92Å |
| 153 | C | 86 | Confident | 75.2 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 162.4 | 170.6 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | G91 R93 | G91-C153 PolarHBondContact N-O 3.17Å; G91-C153 PolarHBondContact O-N 3.38Å; R93-C153 HydrophobicContact CG-CB 4.13Å |
| 154 | E | 88 | Confident | 74.7 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 135 | 166.9 | -165.2 | -162.1 | 149.5 | 0 | 0 | 111 | E89 K139 I143 | E89-E154 CarbonylContact O-C 3.34Å; E89-E154 WeakPolarHBondContact O-CA 2.99Å; E89-E154 WeakPolarHBondContact O-CG 3.1Å; K139-E154 WeakPolarHBondContact CE-OE1 3.29Å; K139-E154 VanDerWaalsContact CE-OE2 3.29Å; K139-E154 WeakPolarHBondContact CE-OE2 3.1Å; K139-E154 VanDerWaalsContact NZ-CD 3.31Å; K139-E154 IonicContact NZ-OE1 3.64Å; K139-E154 PolarHBondContact NZ-OE1 2.93Å; K139-E154 IonicContact NZ-OE2 3.75Å; K139-E154 PolarHBondContact NZ-OE2 3.04Å; I143-E154 HydrophobicContact CD1-CB 4.35Å; I143-E154 HydrophobicContact CD1-CG 3.9Å; I143-E154 VanDerWaalsContact CD1-OE2 3.26Å; I143-E154 WeakPolarHBondContact CD1-OE2 3.22Å |
| 155 | Y | 86.9 | Confident | 74.4 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 7% | 0.067 | 30% | 0.299 | C | S | . | . | trans | -92 | 94.4 | 169.7 | -58.4 | -16.9 | 0 | 0 | 0 | 110 | Y42 E89 G91 P92 T157 C159 F161 | Y42-Y155 HydrophobicContact CE2-CE2 4.07Å; E89-Y155 HydrophobicContact CB-CD2 4.49Å; E89-Y155 HydrophobicContact CG-CD2 3.77Å; E89-Y155 HydrophobicContact CG-CG 4.45Å; E89-Y155 PolarHBondContact O-N 2.9Å; G91-Y155 VanDerWaalsContact C-OH 3.3Å; G91-Y155 WeakPolarHBondContact CA-OH 2.48Å; P92-Y155 WeakPolarHBondContact O-CE1 3.41Å; P92-Y155 PolarHBondContact O-OH 3.07Å; Y155-T157 PolarHBondContact O-N 3.49Å; Y155-C159 HydrophobicContact CD1-CB 4.01Å; Y155-C159 HydrophobicContact CD2-CB 3.55Å; Y155-C159 HydrophobicContact CE1-CB 4.12Å; Y155-C159 HydrophobicContact CE2-CB 3.66Å; Y155-C159 HydrophobicContact CG-CB 3.74Å; Y155-F161 HydrophobicContact CE2-CZ 4.33Å; Y155-F161 VanDerWaalsContact OH-CZ 3.29Å; Y155-F161 WeakPolarHBondContact OH-CZ 3.13Å | ||
| 156 | T | 76.8 | Confident | 74.5 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 71% | 0.712 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -67.8 | -16.5 | 179 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 157 | T | 74 | Confident | 75.2 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -145.3 | 174.4 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 108.2 | Y155 C159 | Y155-T157 PolarHBondContact O-N 3.49Å; T157-C159 PolarHBondContact O-N 2.86Å |
| 158 | T | 70.7 | Confident | 75.5 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -55 | 113.7 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | Y42 N160 | Y42-T158 HydrophobicContact CE1-CG2 4.46Å; T158-N160 PolarHBondContact O-N 3.08Å |
| 159 | C | 74 | Confident | 76 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | trans | -54.4 | 130 | -171.5 | -175.6 | 0 | 0 | 0 | 0 | 113.6 | Y42 Y155 T157 F161 | Y42-C159 HydrophobicContact CE1-CB 4.42Å; Y155-C159 HydrophobicContact CD1-CB 4.01Å; Y155-C159 HydrophobicContact CD2-CB 3.55Å; Y155-C159 HydrophobicContact CE1-CB 4.12Å; Y155-C159 HydrophobicContact CE2-CB 3.66Å; Y155-C159 HydrophobicContact CG-CB 3.74Å; T157-C159 PolarHBondContact O-N 2.86Å; C159-F161 HydrophobicContact CB-CD2 4.15Å; C159-F161 HydrophobicContact CB-CE2 3.76Å; C159-F161 HydrophobicContact CB-CZ 4.4Å; C159-F161 WeakPolarHBondContact SG-CE2 3.36Å | ||
| 160 | N | 74.6 | Confident | 76.6 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | trans | -101.3 | 85 | 175.9 | -175 | 8.1 | 0 | 0 | 0 | 111.4 | T158 F162 A163 | T158-N160 PolarHBondContact O-N 3.08Å; N160-F162 PolarHBondContact O-N 3.48Å; N160-F162 VanDerWaalsContact O-N 3.15Å; N160-F162 WeakPolarHBondContact OD1-CB 3.19Å; N160-F162 PolarHBondContact OD1-N 3.01Å; N160-F162 VanDerWaalsContact OD1-N 3.08Å; N160-A163 HydrophobicContact CB-CB 4.35Å; N160-A163 WeakPolarHBondContact O-CB 3.23Å; N160-A163 PolarHBondContact O-N 3.32Å | ||
| 161 | F | 75.9 | Confident | 77.6 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.5 | 174 | -67 | -90.2 | 0 | 0 | 0 | 114.6 | Y42 F44 P94 E120 Y155 C159 | Y42-F161 HydrophobicContact CD1-CD2 4.12Å; Y42-F161 AromaticContact CD1-CE2 3.69Å; Y42-F161 HydrophobicContact CD1-CE2 3.69Å; Y42-F161 AromaticContact CD2-CE2 3.86Å; Y42-F161 HydrophobicContact CD2-CE2 3.86Å; Y42-F161 HydrophobicContact CD2-CZ 4.3Å; Y42-F161 HydrophobicContact CE1-CE2 4.02Å; Y42-F161 HydrophobicContact CE2-CE2 4.17Å; Y42-F161 HydrophobicContact CG-CD2 4.33Å; Y42-F161 AromaticContact CG-CE2 3.6Å; Y42-F161 HydrophobicContact CG-CE2 3.6Å; Y42-F161 HydrophobicContact CG-CZ 4.35Å; F44-F161 HydrophobicContact CE1-CB 3.85Å; F44-F161 HydrophobicContact CE1-CG 4.49Å; F44-F161 HydrophobicContact CZ-CB 3.53Å; F44-F161 HydrophobicContact CZ-CD1 4.48Å; F44-F161 AromaticContact CZ-CD2 3.74Å; F44-F161 HydrophobicContact CZ-CD2 3.74Å; F44-F161 AromaticContact CZ-CG 3.69Å; F44-F161 HydrophobicContact CZ-CG 3.69Å; P94-F161 HydrophobicContact CB-CD1 4.33Å; E120-F161 HydrophobicContact CB-CE1 4.09Å; E120-F161 HydrophobicContact CB-CZ 4.01Å; E120-F161 HydrophobicContact CG-CD1 4.41Å; E120-F161 HydrophobicContact CG-CE1 3.87Å; E120-F161 HydrophobicContact CG-CZ 4.3Å; Y155-F161 HydrophobicContact CE2-CZ 4.33Å; Y155-F161 VanDerWaalsContact OH-CZ 3.29Å; Y155-F161 WeakPolarHBondContact OH-CZ 3.13Å; C159-F161 HydrophobicContact CB-CD2 4.15Å; C159-F161 HydrophobicContact CB-CE2 3.76Å; C159-F161 HydrophobicContact CB-CZ 4.4Å; C159-F161 WeakPolarHBondContact SG-CE2 3.36Å |
| 162 | F | 69.9 | Low | 78.4 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 47% | 0.469 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.5 | 172 | -55.9 | -62.8 | 0 | 0 | 0 | 113.3 | M1 V3 F44 N160 Q164 | M1-F162 HydrophobicContact CB-CE1 3.99Å; M1-F162 HydrophobicContact CB-CZ 3.97Å; M1-F162 HydrophobicContact SD-CE1 3.9Å; V3-F162 HydrophobicContact CG2-CE2 3.39Å; V3-F162 HydrophobicContact CG2-CZ 3.35Å; F44-F162 HydrophobicContact CD1-CE1 4.07Å; F44-F162 AromaticContact CD1-CZ 3.98Å; F44-F162 HydrophobicContact CD1-CZ 3.98Å; F44-F162 HydrophobicContact CE1-CE1 4.13Å; F44-F162 HydrophobicContact CE1-CZ 4.04Å; N160-F162 PolarHBondContact O-N 3.48Å; N160-F162 VanDerWaalsContact O-N 3.15Å; N160-F162 WeakPolarHBondContact OD1-CB 3.19Å; N160-F162 PolarHBondContact OD1-N 3.01Å; N160-F162 VanDerWaalsContact OD1-N 3.08Å; F162-Q164 PolarHBondContact O-N 3.08Å |
| 163 | A | 63.6 | Low | 78.9 | Confident | 66 Ų | 66 | 71.9 Ų | 71.9 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -78 | 50.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | N160 | N160-A163 HydrophobicContact CB-CB 4.35Å; N160-A163 WeakPolarHBondContact O-CB 3.23Å; N160-A163 PolarHBondContact O-N 3.32Å | ||
| 164 | Q | 62.4 | Low | 79.2 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 147.4 | 172.4 | -62.6 | -171.2 | -65.1 | 0 | 0 | 110.2 | F162 D550 Q552 | F162-Q164 PolarHBondContact O-N 3.08Å; Q164-D550 PolarHBondContact NE2-OD1 2.72Å; Q164-D550 PolarHBondContact NE2-OD2 2.65Å; Q164-D550 PolarHBondContact OE1-OD1 3.31Å; Q164-Q552 HydrophobicContact CB-CB 4.46Å; Q164-Q552 HydrophobicContact CB-CG 3.88Å |
| 165 | P | 64.4 | Low | 79.4 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 141.2 | 167 | -17.4 | 30.2 | 0 | 0 | 0 | 109.3 | Q552 | P165-Q552 VanDerWaalsContact O-CB 3.23Å; P165-Q552 WeakPolarHBondContact O-CB 3.27Å; P165-Q552 WeakPolarHBondContact O-CG 3.12Å |
| 166 | K | 72 | Confident | 79.6 | Confident | 187 Ų | 187 | 74.1 Ų | 74.1 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 144.3 | 168.1 | -79.6 | -171.4 | 171.3 | -171.3 | 0 | 109.6 | E168 | K166-E168 PolarHBondContact O-N 3.47Š|
| 167 | R | 82.7 | Confident | 80.1 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -46.8 | 123.8 | 166.5 | -177.8 | 179.1 | -70 | 165.3 | 1.4 | 110.4 | S551 Q552 V553 | R167-S551 PolarHBondContact NH2-O 3.05Å; R167-Q552 WeakPolarHBondContact CA-O 3.3Å; R167-V553 WeakPolarHBondContact CD-O 3.38Å; R167-V553 WeakPolarHBondContact CG-O 3.25Å; R167-V553 PolarHBondContact NE-O 3.27Å |
| 168 | E | 81.7 | Confident | 80.3 | Confident | 115 Ų | 115 | 68 Ų | 68 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 141.7 | 176.1 | -164.8 | 172.6 | 172.6 | 0 | 0 | 110.7 | K166 S554 | K166-E168 PolarHBondContact O-N 3.47Å; E168-S554 WeakPolarHBondContact O-CB 3.42Å |
| 169 | G | 85.9 | Confident | 80.9 | Confident | 49 Ų | 49 | 64 Ų | 64 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 168.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 170 | Y | 89.5 | Confident | 81.6 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 155 | 173.3 | 69.4 | -79.1 | 0 | 0 | 0 | 111.5 | T215 N216 V555 D606 T612 I614 P616 | Y170-T215 HydrophobicContact CD2-CG2 4.04Å; Y170-T215 HydrophobicContact CE2-CG2 4.47Å; Y170-N216 WeakPolarHBondContact CA-OD1 3.38Å; Y170-N216 WeakPolarHBondContact CB-OD1 3.44Å; Y170-V555 HydrophobicContact CD1-CG1 4.01Å; Y170-V555 HydrophobicContact CG-CG1 4.4Å; Y170-D606 HydrophobicContact CE1-CB 4.08Å; Y170-D606 VanDerWaalsContact CE1-OD2 3.31Å; Y170-D606 WeakPolarHBondContact CE1-OD2 3.46Å; Y170-T612 WeakPolarHBondContact OH-CB 3.39Å; Y170-T612 PolarHBondContact OH-OG1 2.99Å; Y170-I614 PolarHBondContact OH-O 3.48Å; Y170-P616 HydrophobicContact CD1-CB 3.99Å; Y170-P616 HydrophobicContact CD2-CB 3.84Å; Y170-P616 HydrophobicContact CE1-CB 4.19Å; Y170-P616 HydrophobicContact CE1-CG 4.37Å; Y170-P616 HydrophobicContact CE2-CB 4.01Å; Y170-P616 HydrophobicContact CG-CB 3.83Å |
| 171 | Y | 91.5 | Very high | 82.3 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 38% | 0.384 | 37% | 0.369 | S | S | . | . | trans | -147.2 | 156.5 | -177.3 | 57.5 | -92.2 | 0 | 0 | 0 | 111.9 | I173 T215 N216 | Y171-I173 HydrophobicContact CD2-CG1 4.08Å; Y171-I173 HydrophobicContact CE2-CD1 3.88Å; Y171-I173 HydrophobicContact CE2-CG1 3.88Å; Y171-T215 CarbonylContact O-C 3.47Å; Y171-T215 VanDerWaalsContact O-CA 3.25Å; Y171-T215 WeakPolarHBondContact O-CA 3.49Å; Y171-N216 HydrophobicContact CD1-CB 4.39Å; Y171-N216 HydrophobicContact CD2-CB 4.28Å; Y171-N216 HydrophobicContact CE1-CB 4.04Å; Y171-N216 VanDerWaalsContact CE1-ND2 3.34Å; Y171-N216 WeakPolarHBondContact CE1-ND2 3.2Å; Y171-N216 HydrophobicContact CE2-CB 3.92Å; Y171-N216 PolarHBondContact N-OD1 2.94Å; Y171-N216 PolarHBondContact O-N 3.17Å; Y171-N216 PolarHBondContact O-OD1 3.38Å | ||
| 172 | N | 92.8 | Very high | 83.1 | Confident | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -83.6 | 145.4 | 176.6 | -69.6 | -53.3 | 0 | 0 | 0 | 111.3 | N213 P214 | N172-N213 HydrophobicContact CB-CB 4.27Å; N172-P214 WeakPolarHBondContact CA-O 3.41Å |
| 173 | I | 93 | Very high | 84.1 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | trans | -112.8 | 130.7 | 175.5 | -61.5 | -163.4 | 0 | 0 | 0 | 109.6 | Y171 V175 A182 F186 N213 P214 N216 L219 | Y171-I173 HydrophobicContact CD2-CG1 4.08Å; Y171-I173 HydrophobicContact CE2-CD1 3.88Å; Y171-I173 HydrophobicContact CE2-CG1 3.88Å; I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 HydrophobicContact CG2-CG2 4.3Å; I173-V175 PolarHBondContact O-N 3.43Å; I173-A182 HydrophobicContact CG2-CB 4.08Å; I173-F186 HydrophobicContact CD1-CB 4Å; I173-F186 HydrophobicContact CD1-CD1 4.09Å; I173-F186 HydrophobicContact CD1-CD2 3.06Å; I173-F186 HydrophobicContact CD1-CE1 4.35Å; I173-F186 HydrophobicContact CD1-CE2 3.4Å; I173-F186 HydrophobicContact CD1-CG 3.45Å; I173-F186 VanDerWaalsContact CD1-CG 3.45Å; I173-F186 HydrophobicContact CD1-CZ 4.04Å; I173-N213 VanDerWaalsContact O-CB 3.23Å; I173-N213 WeakPolarHBondContact O-CB 3.34Å; I173-N213 PolarHBondContact O-OD1 2.91Å; I173-P214 PolarHBondContact N-O 3.18Å; I173-P214 WeakPolarHBondContact O-CD 3.26Å; I173-N216 HydrophobicContact CD1-CB 4.33Å; I173-L219 HydrophobicContact CB-CD1 3.97Å; I173-L219 HydrophobicContact CD1-CD1 3.93Å; I173-L219 HydrophobicContact CG1-CD1 4.3Å; I173-L219 HydrophobicContact CG2-CD1 4.15Å | ||
| 174 | D | 93.9 | Very high | 85.4 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | trans | -79.9 | 71.9 | -169.8 | -170.6 | 41.8 | 0 | 0 | 0 | 114.2 | I176 G177 G178 G179 A182 N213 | D174-I176 VanDerWaalsContact C-N 3.32Å; D174-G177 PolarHBondContact OD1-N 2.86Å; D174-G177 WeakPolarHBondContact OD2-CA 3.48Å; D174-G177 PolarHBondContact OD2-N 2.78Å; D174-G178 WeakPolarHBondContact O-CA 3.43Å; D174-G178 PolarHBondContact O-N 3.39Å; D174-G178 PolarHBondContact OD2-N 3.48Å; D174-G178 VanDerWaalsContact OD2-N 3.08Å; D174-G179 PolarHBondContact O-N 2.96Å; D174-A182 WeakPolarHBondContact O-CB 3.08Å; D174-N213 PolarHBondContact OD1-ND2 2.71Å; D174-N213 PolarHBondContact OD1-OD1 3.4Å | ||
| 175 | V | 91.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -21.9 | 173.2 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | I173 G179 L183 A203 F206 R207 N213 P214 | I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 HydrophobicContact CG2-CG2 4.3Å; I173-V175 PolarHBondContact O-N 3.43Å; V175-G179 VanDerWaalsContact O-CA 3.23Å; V175-G179 WeakPolarHBondContact O-CA 3.38Å; V175-G179 PolarHBondContact O-N 2.75Å; V175-L183 HydrophobicContact CG1-CD1 4.22Å; V175-L183 HydrophobicContact CG1-CG 4.36Å; V175-L183 HydrophobicContact CG2-CD2 3.64Å; V175-L183 HydrophobicContact CG2-CG 3.98Å; V175-A203 HydrophobicContact CG1-CB 4.26Å; V175-F206 HydrophobicContact CG1-CB 4.25Å; V175-R207 HydrophobicContact CG1-CG 4.2Å; V175-R207 WeakPolarHBondContact O-CD 3.34Å; V175-R207 VanDerWaalsContact O-CG 3.27Å; V175-R207 WeakPolarHBondContact O-CG 3.43Å; V175-R207 PolarHBondContact O-NE 3.21Å; V175-N213 PolarHBondContact N-OD1 3.05Å; V175-P214 HydrophobicContact CB-CG 4.44Å; V175-P214 HydrophobicContact CG2-CG 3.66Å |
| 176 | I | 90.8 | Very high | 87.8 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -55.2 | 175.4 | -68.9 | -74.7 | 0 | 0 | 0 | 110.7 | D174 R207 N213 | D174-I176 VanDerWaalsContact C-N 3.32Å; I176-R207 HydrophobicContact CD1-CG 4.43Å; I176-N213 VanDerWaalsContact CB-OD1 3.3Å; I176-N213 WeakPolarHBondContact CB-OD1 3.18Å; I176-N213 WeakPolarHBondContact CG1-OD1 3.31Å; I176-N213 PolarHBondContact N-OD1 2.9Å |
| 177 | G | 86.8 | Confident | 88.5 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -57.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D174 G179 | D174-G177 PolarHBondContact OD1-N 2.86Å; D174-G177 WeakPolarHBondContact OD2-CA 3.48Å; D174-G177 PolarHBondContact OD2-N 2.78Å; G177-G179 VanDerWaalsContact C-N 3.31Å; G177-G179 PolarHBondContact O-N 3.07Å |
| 178 | G | 78.7 | Confident | 88.5 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -71.5 | -14.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D174 R180 T181 | D174-G178 WeakPolarHBondContact O-CA 3.43Å; D174-G178 PolarHBondContact O-N 3.39Å; D174-G178 PolarHBondContact OD2-N 3.48Å; D174-G178 VanDerWaalsContact OD2-N 3.08Å; G178-R180 PolarHBondContact O-N 3.12Å; G178-T181 PolarHBondContact O-N 3.06Å |
| 179 | G | 82.3 | Confident | 88.6 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | 60.6 | -130.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D174 V175 G177 | D174-G179 PolarHBondContact O-N 2.96Å; V175-G179 VanDerWaalsContact O-CA 3.23Å; V175-G179 WeakPolarHBondContact O-CA 3.38Å; V175-G179 PolarHBondContact O-N 2.75Å; G177-G179 VanDerWaalsContact C-N 3.31Å; G177-G179 PolarHBondContact O-N 3.07Å |
| 180 | R | 89.4 | Confident | 88.2 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | -179.8 | 162.4 | 160.4 | 170.1 | 136.6 | 7.4 | 112.4 | G178 A182 L183 E184 D196 I199 | G178-R180 PolarHBondContact O-N 3.12Å; R180-A182 VanDerWaalsContact C-N 3.31Å; R180-A182 PolarHBondContact O-N 3.05Å; R180-L183 WeakPolarHBondContact O-CB 3.36Å; R180-L183 PolarHBondContact O-N 3Å; R180-E184 HydrophobicContact CG-CG 4Å; R180-E184 IonicContact CZ-OE1 3.16Å; R180-E184 IonicContact NE-OE1 2.75Å; R180-E184 PolarHBondContact NE-OE1 3.42Å; R180-E184 IonicContact NE-OE2 3.96Å; R180-E184 IonicContact NH2-OE1 2.73Å; R180-E184 PolarHBondContact NH2-OE1 3.06Å; R180-E184 PolarHBondContact O-N 3.07Å; R180-D196 IonicContact CZ-OD1 3.6Å; R180-D196 IonicContact NH1-OD1 3.27Å; R180-D196 PolarHBondContact NH1-OD1 3.32Å; R180-D196 IonicContact NH2-OD1 3.26Å; R180-D196 PolarHBondContact NH2-OD1 2.92Å; R180-I199 HydrophobicContact CB-CG2 4.37Å; R180-I199 HydrophobicContact CG-CG2 3.69Å |
| 181 | T | 90.1 | Very high | 87.6 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.4 | -31.6 | -174.4 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | G178 L183 E184 E185 | G178-T181 PolarHBondContact O-N 3.06Å; T181-L183 VanDerWaalsContact C-N 3.29Å; T181-L183 PolarHBondContact O-N 3.06Å; T181-E184 VanDerWaalsContact CA-OE2 3.27Å; T181-E184 WeakPolarHBondContact CA-OE2 3.49Å; T181-E184 PolarHBondContact O-N 2.9Å; T181-E184 PolarHBondContact OG1-OE2 3.34Å; T181-E185 WeakPolarHBondContact O-CB 3.1Å; T181-E185 PolarHBondContact O-N 2.99Å |
| 182 | A | 91.4 | Very high | 86.9 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -34.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I173 D174 R180 F186 | I173-A182 HydrophobicContact CG2-CB 4.08Å; D174-A182 WeakPolarHBondContact O-CB 3.08Å; R180-A182 VanDerWaalsContact C-N 3.31Å; R180-A182 PolarHBondContact O-N 3.05Å; A182-F186 WeakPolarHBondContact O-CB 3.42Å; A182-F186 PolarHBondContact O-N 3.44Å; A182-F186 VanDerWaalsContact O-N 3.13Å |
| 183 | L | 90.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.7 | -39.1 | 175.7 | -64.5 | 177.5 | 0 | 0 | 0 | 112.2 | V175 R180 T181 E185 F186 S187 I199 I202 A203 L219 | V175-L183 HydrophobicContact CG1-CD1 4.22Å; V175-L183 HydrophobicContact CG1-CG 4.36Å; V175-L183 HydrophobicContact CG2-CD2 3.64Å; V175-L183 HydrophobicContact CG2-CG 3.98Å; R180-L183 WeakPolarHBondContact O-CB 3.36Å; R180-L183 PolarHBondContact O-N 3Å; T181-L183 VanDerWaalsContact C-N 3.29Å; T181-L183 PolarHBondContact O-N 3.06Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-F186 PolarHBondContact O-N 3.22Å; L183-S187 WeakPolarHBondContact O-CB 3.15Å; L183-S187 PolarHBondContact O-N 3.09Å; L183-I199 HydrophobicContact CB-CG2 4.09Å; L183-I199 HydrophobicContact CD1-CG2 4.31Å; L183-I199 WeakPolarHBondContact CD1-O 3.48Å; L183-I202 HydrophobicContact CD1-CB 4.13Å; L183-I202 HydrophobicContact CD1-CG2 3.85Å; L183-I202 HydrophobicContact CD2-CG2 4.12Å; L183-A203 HydrophobicContact CD1-CB 3.83Å; L183-L219 HydrophobicContact CD2-CD1 3.74Å; L183-L219 HydrophobicContact CD2-CD2 3.57Å; L183-L219 HydrophobicContact CD2-CG 4.32Å |
| 184 | E | 90.5 | Very high | 85.7 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 174.3 | -68.5 | 170.7 | 136.3 | 0 | 0 | 111.2 | R180 T181 R188 I199 | R180-E184 HydrophobicContact CG-CG 4Å; R180-E184 IonicContact CZ-OE1 3.16Å; R180-E184 IonicContact NE-OE1 2.75Å; R180-E184 PolarHBondContact NE-OE1 3.42Å; R180-E184 IonicContact NE-OE2 3.96Å; R180-E184 IonicContact NH2-OE1 2.73Å; R180-E184 PolarHBondContact NH2-OE1 3.06Å; R180-E184 PolarHBondContact O-N 3.07Å; T181-E184 VanDerWaalsContact CA-OE2 3.27Å; T181-E184 WeakPolarHBondContact CA-OE2 3.49Å; T181-E184 PolarHBondContact O-N 2.9Å; T181-E184 PolarHBondContact OG1-OE2 3.34Å; E184-R188 VanDerWaalsContact O-CB 3.27Å; E184-R188 WeakPolarHBondContact O-CB 3.16Å; E184-R188 PolarHBondContact O-N 3.21Å; E184-I199 HydrophobicContact CG-CD1 4.04Å; E184-I199 HydrophobicContact CG-CG2 4.42Å |
| 185 | E | 89.5 | Confident | 85.2 | Confident | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.2 | 175.8 | 145.6 | -115.4 | 0 | 0 | 112.5 | T181 L183 R188 T189 | T181-E185 WeakPolarHBondContact O-CB 3.1Å; T181-E185 PolarHBondContact O-N 2.99Å; L183-E185 VanDerWaalsContact C-N 3.35Å; E185-R188 IonicContact OE1-NH2 2.86Å; E185-R188 PolarHBondContact OE1-NH2 2.79Å; E185-T189 VanDerWaalsContact O-CB 3.3Å; E185-T189 WeakPolarHBondContact O-CB 3.29Å; E185-T189 PolarHBondContact O-N 2.93Å; E185-T189 PolarHBondContact O-OG1 3.34Å |
| 186 | F | 88.3 | Confident | 84.9 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.5 | -176.1 | -112.8 | 0 | 0 | 0 | 112 | I173 A182 L183 T189 H190 L192 N216 L219 | I173-F186 HydrophobicContact CD1-CB 4Å; I173-F186 HydrophobicContact CD1-CD1 4.09Å; I173-F186 HydrophobicContact CD1-CD2 3.06Å; I173-F186 HydrophobicContact CD1-CE1 4.35Å; I173-F186 HydrophobicContact CD1-CE2 3.4Å; I173-F186 HydrophobicContact CD1-CG 3.45Å; I173-F186 VanDerWaalsContact CD1-CG 3.45Å; I173-F186 HydrophobicContact CD1-CZ 4.04Å; A182-F186 WeakPolarHBondContact O-CB 3.42Å; A182-F186 PolarHBondContact O-N 3.44Å; A182-F186 VanDerWaalsContact O-N 3.13Å; L183-F186 PolarHBondContact O-N 3.22Å; F186-T189 PolarHBondContact O-N 3.19Å; F186-H190 AromaticContact CD2-CE1 3.29Å; F186-H190 WeakPolarHBondContact CD2-CE1 3.26Å; F186-H190 AromaticContact CD2-ND1 3.22Å; F186-H190 WeakPolarHBondContact CD2-ND1 3.07Å; F186-H190 AromaticContact CE2-CE1 3.2Å; F186-H190 WeakPolarHBondContact CE2-CE1 3.43Å; F186-H190 AromaticContact CE2-CG 3.84Å; F186-H190 AromaticContact CE2-ND1 3.28Å; F186-H190 VanDerWaalsContact CE2-ND1 3.28Å; F186-H190 WeakPolarHBondContact CE2-ND1 3.34Å; F186-H190 AromaticContact CE2-NE2 3.68Å; F186-H190 AromaticContact CG-ND1 3.96Å; F186-H190 PolarHBondContact O-N 2.83Å; F186-H190 PolarHBondContact O-ND1 3.45Å; F186-L192 HydrophobicContact CD1-CD1 3.56Å; F186-L192 HydrophobicContact CE1-CD1 3.4Å; F186-L192 VanDerWaalsContact CE1-CD1 3.4Å; F186-L192 HydrophobicContact CZ-CD1 4.35Å; F186-N216 HydrophobicContact CE2-CB 3.96Å; F186-N216 HydrophobicContact CZ-CB 3.95Å; F186-L219 HydrophobicContact CD1-CB 3.85Å; F186-L219 HydrophobicContact CD1-CD1 3.87Å; F186-L219 HydrophobicContact CE1-CB 3.37Å; F186-L219 HydrophobicContact CE1-CD1 4.11Å; F186-L219 HydrophobicContact CE1-CG 4.39Å; F186-L219 HydrophobicContact CG-CD1 4.45Å; F186-L219 HydrophobicContact CZ-CB 4.23Å |
| 187 | S | 86.6 | Confident | 84.6 | Confident | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 177.7 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | L183 T189 H190 G191 L192 L194 | L183-S187 WeakPolarHBondContact O-CB 3.15Å; L183-S187 PolarHBondContact O-N 3.09Å; S187-T189 VanDerWaalsContact C-N 3.33Å; S187-T189 PolarHBondContact O-N 2.75Å; S187-H190 PolarHBondContact O-N 2.74Å; S187-G191 PolarHBondContact O-N 3.46Å; S187-L192 PolarHBondContact O-N 2.92Å; S187-L192 VanDerWaalsContact O-N 3.11Å; S187-L194 PolarHBondContact OG-N 2.71Å |
| 188 | R | 84 | Confident | 84.6 | Confident | 167 Ų | 167 | 54.2 Ų | 54.2 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 175.3 | 177.7 | 179.1 | 56.6 | 72.7 | 0.5 | 112.5 | E184 E185 | E184-R188 VanDerWaalsContact O-CB 3.27Å; E184-R188 WeakPolarHBondContact O-CB 3.16Å; E184-R188 PolarHBondContact O-N 3.21Å; E185-R188 IonicContact OE1-NH2 2.86Å; E185-R188 PolarHBondContact OE1-NH2 2.79Å |
| 189 | T | 82.1 | Confident | 85.2 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.9 | -29.2 | -175.8 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | E185 F186 S187 | E185-T189 VanDerWaalsContact O-CB 3.3Å; E185-T189 WeakPolarHBondContact O-CB 3.29Å; E185-T189 PolarHBondContact O-N 2.93Å; E185-T189 PolarHBondContact O-OG1 3.34Å; F186-T189 PolarHBondContact O-N 3.19Å; S187-T189 VanDerWaalsContact C-N 3.33Å; S187-T189 PolarHBondContact O-N 2.75Å |
| 190 | H | 78.3 | Confident | 85.5 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 15.2 | -176 | -56.2 | 79.3 | 0 | 0 | 0 | 113.6 | F186 S187 L192 | F186-H190 AromaticContact CD2-CE1 3.29Å; F186-H190 WeakPolarHBondContact CD2-CE1 3.26Å; F186-H190 AromaticContact CD2-ND1 3.22Å; F186-H190 WeakPolarHBondContact CD2-ND1 3.07Å; F186-H190 AromaticContact CE2-CE1 3.2Å; F186-H190 WeakPolarHBondContact CE2-CE1 3.43Å; F186-H190 AromaticContact CE2-CG 3.84Å; F186-H190 AromaticContact CE2-ND1 3.28Å; F186-H190 VanDerWaalsContact CE2-ND1 3.28Å; F186-H190 WeakPolarHBondContact CE2-ND1 3.34Å; F186-H190 AromaticContact CE2-NE2 3.68Å; F186-H190 AromaticContact CG-ND1 3.96Å; F186-H190 PolarHBondContact O-N 2.83Å; F186-H190 PolarHBondContact O-ND1 3.45Å; S187-H190 PolarHBondContact O-N 2.74Å; H190-L192 HydrophobicContact CB-CD1 4.38Å; H190-L192 HydrophobicContact CB-CD2 4.11Å; H190-L192 HydrophobicContact CB-CG 3.95Å; H190-L192 PolarHBondContact O-N 2.69Å; H190-L192 VanDerWaalsContact O-N 3.14Å |
| 191 | G | 76.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 13.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S187 S193 | S187-G191 PolarHBondContact O-N 3.46Å; G191-S193 PolarHBondContact O-N 3.3Å; G191-S193 PolarHBondContact O-OG 3.47Å |
| 192 | L | 76.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -65.3 | -18.6 | -162.7 | -59.5 | -179.8 | 0 | 0 | 0 | 114.7 | F186 S187 H190 L194 F220 A223 S466 | F186-L192 HydrophobicContact CD1-CD1 3.56Å; F186-L192 HydrophobicContact CE1-CD1 3.4Å; F186-L192 VanDerWaalsContact CE1-CD1 3.4Å; F186-L192 HydrophobicContact CZ-CD1 4.35Å; S187-L192 PolarHBondContact O-N 2.92Å; S187-L192 VanDerWaalsContact O-N 3.11Å; H190-L192 HydrophobicContact CB-CD1 4.38Å; H190-L192 HydrophobicContact CB-CD2 4.11Å; H190-L192 HydrophobicContact CB-CG 3.95Å; H190-L192 PolarHBondContact O-N 2.69Å; H190-L192 VanDerWaalsContact O-N 3.14Å; L192-L194 HydrophobicContact CB-CG 4.14Å; L192-L194 PolarHBondContact O-N 3.28Å; L192-F220 HydrophobicContact CD2-CD2 3.71Å; L192-F220 HydrophobicContact CD2-CE2 3.71Å; L192-F220 HydrophobicContact CD2-CG 4.29Å; L192-F220 HydrophobicContact CD2-CZ 4.29Å; L192-A223 HydrophobicContact CB-CB 4Å; L192-A223 HydrophobicContact CD1-CB 4.08Å; L192-A223 HydrophobicContact CD2-CB 4.05Å; L192-A223 HydrophobicContact CG-CB 4.26Å; L192-S466 WeakPolarHBondContact O-CB 3.46Å; L192-S466 PolarHBondContact O-OG 3.34Å | ||
| 193 | S | 78.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | trans | 59.8 | 29.1 | 175 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | G191 | G191-S193 PolarHBondContact O-N 3.3Å; G191-S193 PolarHBondContact O-OG 3.47Å | ||
| 194 | L | 82.7 | Confident | 85.6 | Confident | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | trans | -63.6 | 133 | 173.1 | -60 | 176.8 | 0 | 0 | 0 | 111 | S187 L192 D198 I199 I202 A223 | S187-L194 PolarHBondContact OG-N 2.71Å; L192-L194 HydrophobicContact CB-CG 4.14Å; L192-L194 PolarHBondContact O-N 3.28Å; L194-D198 HydrophobicContact CB-CB 4.19Å; L194-D198 HydrophobicContact CD2-CB 4.2Å; L194-I199 HydrophobicContact CB-CD1 4.26Å; L194-I199 HydrophobicContact CB-CG1 3.81Å; L194-I199 HydrophobicContact CD1-CG1 4.36Å; L194-I202 HydrophobicContact CD1-CD1 4.15Å; L194-I202 HydrophobicContact CD2-CD1 4.18Å; L194-A223 HydrophobicContact CD2-CB 3.8Å; L194-A223 HydrophobicContact CG-CB 4.47Å | ||
| 195 | D | 83.4 | Confident | 85.6 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | trans | -85.9 | 175.4 | 175.4 | 78.3 | 30.8 | 0 | 0 | 0 | 113.4 | N197 D198 I199 K632 | D195-N197 PolarHBondContact O-N 2.82Å; D195-N197 WeakPolarHBondContact OD1-CA 3.42Å; D195-N197 VanDerWaalsContact OD1-CB 3.26Å; D195-N197 WeakPolarHBondContact OD1-CB 3.22Å; D195-N197 PolarHBondContact OD1-N 2.7Å; D195-D198 VanDerWaalsContact CG-OD2 3.23Å; D195-D198 PolarHBondContact N-OD2 3.15Å; D195-D198 VanDerWaalsContact N-OD2 3.11Å; D195-D198 PolarHBondContact O-N 2.75Å; D195-D198 PolarHBondContact OD1-N 3.48Å; D195-I199 WeakPolarHBondContact O-CB 3.45Å; D195-I199 WeakPolarHBondContact O-CG1 3.41Å; D195-I199 PolarHBondContact O-N 3.28Å; D195-K632 IonicContact OD1-NZ 2.77Å; D195-K632 IonicContact OD2-NZ 3.31Å; D195-K632 PolarHBondContact OD2-NZ 3.25Å | ||
| 196 | D | 86.3 | Confident | 85.8 | Confident | 100 Ų | 100 | 47.4 Ų | 47.4 | 54% | 0.535 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.4 | -36.3 | 179.7 | -84.7 | -34.1 | 0 | 0 | 0 | 113.8 | R180 M200 | R180-D196 IonicContact CZ-OD1 3.6Å; R180-D196 IonicContact NH1-OD1 3.27Å; R180-D196 PolarHBondContact NH1-OD1 3.32Å; R180-D196 IonicContact NH2-OD1 3.26Å; R180-D196 PolarHBondContact NH2-OD1 2.92Å; D196-M200 WeakPolarHBondContact O-CB 3.47Å; D196-M200 VanDerWaalsContact O-CG 3.3Å; D196-M200 WeakPolarHBondContact O-CG 3.36Å; D196-M200 PolarHBondContact O-N 2.88Å; D196-M200 VanDerWaalsContact O-N 3.13Å |
| 197 | N | 84.5 | Confident | 86 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78 | -41.4 | -179.5 | -169.2 | 41.7 | 0 | 0 | 0 | 110.1 | D195 I199 M200 N201 | D195-N197 PolarHBondContact O-N 2.82Å; D195-N197 WeakPolarHBondContact OD1-CA 3.42Å; D195-N197 VanDerWaalsContact OD1-CB 3.26Å; D195-N197 WeakPolarHBondContact OD1-CB 3.22Å; D195-N197 PolarHBondContact OD1-N 2.7Å; N197-I199 PolarHBondContact O-N 3.4Å; N197-M200 PolarHBondContact O-N 3.32Å; N197-N201 VanDerWaalsContact CG-ND2 3.31Å; N197-N201 PolarHBondContact ND2-ND2 3.04Å; N197-N201 WeakPolarHBondContact O-CB 3.38Å; N197-N201 VanDerWaalsContact O-CG 3.25Å; N197-N201 PolarHBondContact O-N 2.89Å; N197-N201 PolarHBondContact O-ND2 3.42Å; N197-N201 PolarHBondContact OD1-ND2 2.83Å |
| 198 | D | 86.8 | Confident | 86.2 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 174.3 | -58.6 | -37.6 | 0 | 0 | 0 | 110.8 | L194 D195 M200 N201 I202 K632 | L194-D198 HydrophobicContact CB-CB 4.19Å; L194-D198 HydrophobicContact CD2-CB 4.2Å; D195-D198 VanDerWaalsContact CG-OD2 3.23Å; D195-D198 PolarHBondContact N-OD2 3.15Å; D195-D198 VanDerWaalsContact N-OD2 3.11Å; D195-D198 PolarHBondContact O-N 2.75Å; D195-D198 PolarHBondContact OD1-N 3.48Å; D198-M200 PolarHBondContact O-N 3.23Å; D198-N201 PolarHBondContact O-N 3.16Å; D198-I202 WeakPolarHBondContact O-CB 3.24Å; D198-I202 VanDerWaalsContact O-CG1 3.22Å; D198-I202 WeakPolarHBondContact O-CG1 3.45Å; D198-I202 PolarHBondContact O-N 3.25Å; D198-K632 WeakPolarHBondContact OD1-CE 3.39Å; D198-K632 IonicContact OD1-NZ 3.27Å; D198-K632 PolarHBondContact OD1-NZ 3.39Å; D198-K632 IonicContact OD2-NZ 2.78Å; D198-K632 PolarHBondContact OD2-NZ 3.42Å |
| 199 | I | 90.4 | Very high | 86.5 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.046 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 178.1 | -70.4 | 173.7 | 0 | 0 | 0 | 111.3 | R180 L183 E184 L194 D195 N197 A203 | R180-I199 HydrophobicContact CB-CG2 4.37Å; R180-I199 HydrophobicContact CG-CG2 3.69Å; L183-I199 HydrophobicContact CB-CG2 4.09Å; L183-I199 HydrophobicContact CD1-CG2 4.31Å; L183-I199 WeakPolarHBondContact CD1-O 3.48Å; E184-I199 HydrophobicContact CG-CD1 4.04Å; E184-I199 HydrophobicContact CG-CG2 4.42Å; L194-I199 HydrophobicContact CB-CD1 4.26Å; L194-I199 HydrophobicContact CB-CG1 3.81Å; L194-I199 HydrophobicContact CD1-CG1 4.36Å; D195-I199 WeakPolarHBondContact O-CB 3.45Å; D195-I199 WeakPolarHBondContact O-CG1 3.41Å; D195-I199 PolarHBondContact O-N 3.28Å; N197-I199 PolarHBondContact O-N 3.4Å; I199-A203 VanDerWaalsContact O-CB 3.23Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.22Å |
| 200 | M | 89.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 47.4 Ų | 47.4 | 51% | 0.512 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.4 | -77.7 | -168.1 | -61.7 | 0 | 0 | 112.7 | D196 N197 D198 A203 Y204 | D196-M200 WeakPolarHBondContact O-CB 3.47Å; D196-M200 VanDerWaalsContact O-CG 3.3Å; D196-M200 WeakPolarHBondContact O-CG 3.36Å; D196-M200 PolarHBondContact O-N 2.88Å; D196-M200 VanDerWaalsContact O-N 3.13Å; N197-M200 PolarHBondContact O-N 3.32Å; D198-M200 PolarHBondContact O-N 3.23Å; M200-A203 PolarHBondContact O-N 3.46Å; M200-Y204 WeakPolarHBondContact O-CB 2.98Å; M200-Y204 PolarHBondContact O-N 3.44Å |
| 201 | N | 88.7 | Confident | 87.6 | Confident | 29 Ų | 29 | 51.5 Ų | 51.5 | 16% | 0.155 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | -177.5 | -71 | -45.1 | 0 | 0 | 0 | 111.9 | N197 D198 Y204 V205 L627 | N197-N201 VanDerWaalsContact CG-ND2 3.31Å; N197-N201 PolarHBondContact ND2-ND2 3.04Å; N197-N201 WeakPolarHBondContact O-CB 3.38Å; N197-N201 VanDerWaalsContact O-CG 3.25Å; N197-N201 PolarHBondContact O-N 2.89Å; N197-N201 PolarHBondContact O-ND2 3.42Å; N197-N201 PolarHBondContact OD1-ND2 2.83Å; D198-N201 PolarHBondContact O-N 3.16Å; N201-Y204 PolarHBondContact O-N 3.14Å; N201-V205 WeakPolarHBondContact O-CG2 3.44Å; N201-V205 PolarHBondContact O-N 3.39Å; N201-L627 VanDerWaalsContact C-CD2 3.49Å; N201-L627 HydrophobicContact CB-CD2 3.69Å; N201-L627 WeakPolarHBondContact O-CD2 3.39Å |
| 202 | I | 91.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 173.6 | -66.4 | 171.7 | 0 | 0 | 0 | 110.3 | L183 L194 D198 Y204 V205 F206 L219 L627 | L183-I202 HydrophobicContact CD1-CB 4.13Å; L183-I202 HydrophobicContact CD1-CG2 3.85Å; L183-I202 HydrophobicContact CD2-CG2 4.12Å; L194-I202 HydrophobicContact CD1-CD1 4.15Å; L194-I202 HydrophobicContact CD2-CD1 4.18Å; D198-I202 WeakPolarHBondContact O-CB 3.24Å; D198-I202 VanDerWaalsContact O-CG1 3.22Å; D198-I202 WeakPolarHBondContact O-CG1 3.45Å; D198-I202 PolarHBondContact O-N 3.25Å; I202-Y204 VanDerWaalsContact C-N 3.31Å; I202-Y204 PolarHBondContact O-N 2.91Å; I202-V205 PolarHBondContact O-N 3.08Å; I202-F206 HydrophobicContact CG2-CD2 3.91Å; I202-F206 HydrophobicContact CG2-CE2 4.06Å; I202-F206 WeakPolarHBondContact O-CD2 3.1Å; I202-F206 PolarHBondContact O-N 3.47Å; I202-F206 VanDerWaalsContact O-N 3.08Å; I202-L219 HydrophobicContact CG2-CD2 3.58Å; I202-L627 HydrophobicContact CG1-CD1 4.44Å; I202-L627 HydrophobicContact CG1-CD2 4.38Å |
| 203 | A | 91.4 | Very high | 89.3 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V175 L183 I199 M200 R207 | V175-A203 HydrophobicContact CG1-CB 4.26Å; L183-A203 HydrophobicContact CD1-CB 3.83Å; I199-A203 VanDerWaalsContact O-CB 3.23Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.22Å; M200-A203 PolarHBondContact O-N 3.46Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.25Å; A203-R207 WeakPolarHBondContact O-CG 3.39Å; A203-R207 PolarHBondContact O-N 3.12Å |
| 204 | Y | 90.8 | Very high | 90.1 | Very high | 116 Ų | 116 | 50.6 Ų | 50.6 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 177.8 | -178.7 | -95.3 | 0 | 0 | 0 | 111.8 | M200 N201 I202 H208 I209 H626 | M200-Y204 WeakPolarHBondContact O-CB 2.98Å; M200-Y204 PolarHBondContact O-N 3.44Å; N201-Y204 PolarHBondContact O-N 3.14Å; I202-Y204 VanDerWaalsContact C-N 3.31Å; I202-Y204 PolarHBondContact O-N 2.91Å; Y204-H208 HydrophobicContact CD2-CB 4.49Å; Y204-H208 AromaticContact CD2-CD2 3.46Å; Y204-H208 VanDerWaalsContact CD2-CD2 3.46Å; Y204-H208 WeakPolarHBondContact CD2-CD2 3.45Å; Y204-H208 HydrophobicContact CE2-CB 4.24Å; Y204-H208 AromaticContact CE2-CD2 3.77Å; Y204-H208 WeakPolarHBondContact O-CB 3.45Å; Y204-H208 PolarHBondContact O-N 2.92Å; Y204-I209 HydrophobicContact CD1-CD1 4.35Å; Y204-I209 HydrophobicContact CE1-CD1 4.01Å; Y204-I209 HydrophobicContact CE1-CG1 4.32Å; Y204-H626 AromaticContact CD1-NE2 3.84Å; Y204-H626 AromaticContact CE1-NE2 3.66Å |
| 205 | V | 91.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -58.4 | -51.7 | 178.2 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | N201 I202 I209 E210 L627 | N201-V205 WeakPolarHBondContact O-CG2 3.44Å; N201-V205 PolarHBondContact O-N 3.39Å; I202-V205 PolarHBondContact O-N 3.08Å; V205-I209 HydrophobicContact CG2-CD1 4.25Å; V205-I209 CarbonylContact O-C 3.55Å; V205-I209 WeakPolarHBondContact O-CA 3.48Å; V205-I209 WeakPolarHBondContact O-CB 3.47Å; V205-I209 PolarHBondContact O-N 3.29Å; V205-E210 HydrophobicContact CG1-CG 4.12Å; V205-E210 PolarHBondContact O-N 3.26Å; V205-L627 HydrophobicContact CB-CD2 4.36Å; V205-L627 HydrophobicContact CG2-CD2 3.52Å; V205-L627 HydrophobicContact CG2-CG 3.87Å |
| 206 | F | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -70.5 | -35.9 | -176.4 | -76.4 | -70.7 | 0 | 0 | 0 | 113.4 | V175 I202 E210 K211 R212 P214 L219 L222 L619 | V175-F206 HydrophobicContact CG1-CB 4.25Å; I202-F206 HydrophobicContact CG2-CD2 3.91Å; I202-F206 HydrophobicContact CG2-CE2 4.06Å; I202-F206 WeakPolarHBondContact O-CD2 3.1Å; I202-F206 PolarHBondContact O-N 3.47Å; I202-F206 VanDerWaalsContact O-N 3.08Å; F206-E210 HydrophobicContact CD1-CB 3.96Å; F206-E210 HydrophobicContact CD1-CG 4.06Å; F206-E210 HydrophobicContact CE1-CB 4.38Å; F206-E210 HydrophobicContact CE1-CG 4.05Å; F206-K211 VanDerWaalsContact O-CA 3.28Å; F206-K211 WeakPolarHBondContact O-CA 3.37Å; F206-K211 PolarHBondContact O-N 3.41Å; F206-R212 PolarHBondContact O-N 3.4Å; F206-P214 HydrophobicContact CD1-CB 3.84Å; F206-P214 HydrophobicContact CD1-CG 4.3Å; F206-P214 HydrophobicContact CD2-CB 4.04Å; F206-P214 HydrophobicContact CD2-CG 4.11Å; F206-P214 HydrophobicContact CE1-CB 3.64Å; F206-P214 HydrophobicContact CE2-CB 3.84Å; F206-P214 HydrophobicContact CE2-CG 4.34Å; F206-P214 HydrophobicContact CG-CB 4.06Å; F206-P214 HydrophobicContact CG-CG 4.1Å; F206-P214 HydrophobicContact CZ-CB 3.65Å; F206-L219 HydrophobicContact CE2-CD2 4.35Å; F206-L222 HydrophobicContact CE2-CD1 3.53Å; F206-L222 HydrophobicContact CZ-CD1 3.72Å; F206-L619 HydrophobicContact CE1-CD2 4.05Å; F206-L619 HydrophobicContact CZ-CD2 3.76Å |
| 207 | R | 92.4 | Very high | 91.4 | Very high | 104 Ų | 104 | 42.3 Ų | 42.3 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -77.8 | -37.3 | -179.3 | -62.6 | 175.9 | 85.1 | -132.9 | 4.8 | 113.8 | V175 I176 A203 | V175-R207 HydrophobicContact CG1-CG 4.2Å; V175-R207 WeakPolarHBondContact O-CD 3.34Å; V175-R207 VanDerWaalsContact O-CG 3.27Å; V175-R207 WeakPolarHBondContact O-CG 3.43Å; V175-R207 PolarHBondContact O-NE 3.21Å; I176-R207 HydrophobicContact CD1-CG 4.43Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.25Å; A203-R207 WeakPolarHBondContact O-CG 3.39Å; A203-R207 PolarHBondContact O-N 3.12Å |
| 208 | H | 90.7 | Very high | 91.9 | Very high | 95 Ų | 95 | 39.9 Ų | 39.9 | 44% | 0.44 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -111.7 | -31 | -170.1 | -58 | -65.6 | 0 | 0 | 0 | 114.3 | Y204 K211 | Y204-H208 HydrophobicContact CD2-CB 4.49Å; Y204-H208 AromaticContact CD2-CD2 3.46Å; Y204-H208 VanDerWaalsContact CD2-CD2 3.46Å; Y204-H208 WeakPolarHBondContact CD2-CD2 3.45Å; Y204-H208 HydrophobicContact CE2-CB 4.24Å; Y204-H208 AromaticContact CE2-CD2 3.77Å; Y204-H208 WeakPolarHBondContact O-CB 3.45Å; Y204-H208 PolarHBondContact O-N 2.92Å; H208-K211 WeakPolarHBondContact O-CE 3.42Å |
| 209 | I | 90.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 39 Ų | 39 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -96.7 | -60.4 | -178 | -60.5 | 177.6 | 0 | 0 | 0 | 110.9 | Y204 V205 R620 S623 | Y204-I209 HydrophobicContact CD1-CD1 4.35Å; Y204-I209 HydrophobicContact CE1-CD1 4.01Å; Y204-I209 HydrophobicContact CE1-CG1 4.32Å; V205-I209 HydrophobicContact CG2-CD1 4.25Å; V205-I209 CarbonylContact O-C 3.55Å; V205-I209 WeakPolarHBondContact O-CA 3.48Å; V205-I209 WeakPolarHBondContact O-CB 3.47Å; V205-I209 PolarHBondContact O-N 3.29Å; I209-R620 VanDerWaalsContact C-NH2 3.25Å; I209-R620 PolarHBondContact O-NH2 2.87Å; I209-S623 WeakPolarHBondContact CG2-OG 3.44Å |
| 210 | E | 91.2 | Very high | 92.1 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 11% | 0.107 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -74.4 | -31.2 | 177.5 | -61.6 | -51.6 | 120.4 | 0 | 0 | 113 | V205 F206 R212 R620 S623 | V205-E210 HydrophobicContact CG1-CG 4.12Å; V205-E210 PolarHBondContact O-N 3.26Å; F206-E210 HydrophobicContact CD1-CB 3.96Å; F206-E210 HydrophobicContact CD1-CG 4.06Å; F206-E210 HydrophobicContact CE1-CB 4.38Å; F206-E210 HydrophobicContact CE1-CG 4.05Å; E210-R212 HydrophobicContact CB-CG 4.02Å; E210-R212 PolarHBondContact O-N 3.19Å; E210-R620 IonicContact OE1-CZ 2.77Å; E210-R620 VanDerWaalsContact OE1-CZ 3.26Å; E210-R620 IonicContact OE1-NE 3.52Å; E210-R620 PolarHBondContact OE1-NE 2.91Å; E210-R620 IonicContact OE1-NH2 2.85Å; E210-R620 PolarHBondContact OE1-NH2 3.23Å; E210-R620 IonicContact OE2-CZ 3.54Å; E210-R620 IonicContact OE2-NE 3.48Å; E210-R620 PolarHBondContact OE2-NE 3.32Å; E210-R620 IonicContact OE2-NH2 2.65Å; E210-R620 PolarHBondContact OE2-NH2 3Å; E210-S623 WeakPolarHBondContact OE1-CB 3.31Å; E210-S623 PolarHBondContact OE1-OG 2.71Å |
| 211 | K | 93.1 | Very high | 92.2 | Very high | 159 Ų | 159 | 34.6 Ų | 34.6 | 69% | 0.691 | 15% | 0.154 | S | C | * | . | trans | 56.2 | 35.5 | 178.8 | -55.9 | 179.5 | -177.6 | 178.5 | 0 | 113.4 | F206 H208 | F206-K211 VanDerWaalsContact O-CA 3.28Å; F206-K211 WeakPolarHBondContact O-CA 3.37Å; F206-K211 PolarHBondContact O-N 3.41Å; H208-K211 WeakPolarHBondContact O-CE 3.42Å | ||
| 212 | R | 94.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 20% | 0.2 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -146.7 | 165.2 | 176.3 | 62.8 | 169.1 | -177.6 | 91.4 | -6.8 | 110 | F206 E210 E218 N618 | F206-R212 PolarHBondContact O-N 3.4Å; E210-R212 HydrophobicContact CB-CG 4.02Å; E210-R212 PolarHBondContact O-N 3.19Å; R212-E218 IonicContact CZ-OE1 3.6Å; R212-E218 IonicContact CZ-OE2 3.42Å; R212-E218 IonicContact NH1-OE1 3.64Å; R212-E218 IonicContact NH1-OE2 2.72Å; R212-E218 PolarHBondContact NH1-OE2 3.26Å; R212-E218 VanDerWaalsContact NH2-CD 3.32Å; R212-E218 IonicContact NH2-OE1 3.38Å; R212-E218 PolarHBondContact NH2-OE1 3.1Å; R212-E218 IonicContact NH2-OE2 2.69Å; R212-E218 PolarHBondContact NH2-OE2 2.86Å; R212-N618 PolarHBondContact NH2-O 2.95Å |
| 213 | N | 95 | Very high | 92 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 142.4 | 166 | -76.2 | -24.6 | 0 | 0 | 0 | 110.7 | N172 I173 D174 V175 I176 | N172-N213 HydrophobicContact CB-CB 4.27Å; I173-N213 VanDerWaalsContact O-CB 3.23Å; I173-N213 WeakPolarHBondContact O-CB 3.34Å; I173-N213 PolarHBondContact O-OD1 2.91Å; D174-N213 PolarHBondContact OD1-ND2 2.71Å; D174-N213 PolarHBondContact OD1-OD1 3.4Å; V175-N213 PolarHBondContact N-OD1 3.05Å; I176-N213 VanDerWaalsContact CB-OD1 3.3Å; I176-N213 WeakPolarHBondContact CB-OD1 3.18Å; I176-N213 WeakPolarHBondContact CG1-OD1 3.31Å; I176-N213 PolarHBondContact N-OD1 2.9Å |
| 214 | P | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 161.3 | 166.9 | 32.9 | -35.9 | 0 | 0 | 0 | 111.5 | N172 I173 V175 F206 E218 L219 | N172-P214 WeakPolarHBondContact CA-O 3.41Å; I173-P214 PolarHBondContact N-O 3.18Å; I173-P214 WeakPolarHBondContact O-CD 3.26Å; V175-P214 HydrophobicContact CB-CG 4.44Å; V175-P214 HydrophobicContact CG2-CG 3.66Å; F206-P214 HydrophobicContact CD1-CB 3.84Å; F206-P214 HydrophobicContact CD1-CG 4.3Å; F206-P214 HydrophobicContact CD2-CB 4.04Å; F206-P214 HydrophobicContact CD2-CG 4.11Å; F206-P214 HydrophobicContact CE1-CB 3.64Å; F206-P214 HydrophobicContact CE2-CB 3.84Å; F206-P214 HydrophobicContact CE2-CG 4.34Å; F206-P214 HydrophobicContact CG-CB 4.06Å; F206-P214 HydrophobicContact CG-CG 4.1Å; F206-P214 HydrophobicContact CZ-CB 3.65Å; P214-E218 WeakPolarHBondContact CA-OE2 3.47Å; P214-E218 HydrophobicContact CB-CB 4.37Å; P214-L219 HydrophobicContact CB-CD1 4.3Å; P214-L219 HydrophobicContact CB-CD2 4.14Å; P214-L219 HydrophobicContact CB-CG 3.86Å; P214-L219 HydrophobicContact CG-CD1 3.67Å; P214-L219 HydrophobicContact CG-CD2 3.89Å; P214-L219 HydrophobicContact CG-CG 3.72Å |
| 215 | T | 94.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -81.3 | 162.9 | 162.8 | 71.6 | 0 | 0 | 0 | 0 | 111.3 | Y170 Y171 V217 E218 L219 P616 | Y170-T215 HydrophobicContact CD2-CG2 4.04Å; Y170-T215 HydrophobicContact CE2-CG2 4.47Å; Y171-T215 CarbonylContact O-C 3.47Å; Y171-T215 VanDerWaalsContact O-CA 3.25Å; Y171-T215 WeakPolarHBondContact O-CA 3.49Å; T215-V217 PolarHBondContact O-N 3.4Å; T215-V217 PolarHBondContact OG1-N 3.31Å; T215-E218 PolarHBondContact N-OE2 3.16Å; T215-E218 VanDerWaalsContact N-OE2 3.09Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CG 3.37Å; T215-E218 PolarHBondContact OG1-N 3.45Å; T215-L219 PolarHBondContact O-N 3.22Å; T215-L219 VanDerWaalsContact O-N 3.12Å; T215-P616 WeakPolarHBondContact CG2-O 3.03Å; T215-P616 PolarHBondContact OG1-O 2.94Å |
| 216 | N | 92.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.064 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.6 | -36.1 | 167.4 | 63.5 | -39.5 | 0 | 0 | 0 | 112.1 | Y170 Y171 I173 F186 L219 F220 | Y170-N216 WeakPolarHBondContact CA-OD1 3.38Å; Y170-N216 WeakPolarHBondContact CB-OD1 3.44Å; Y171-N216 HydrophobicContact CD1-CB 4.39Å; Y171-N216 HydrophobicContact CD2-CB 4.28Å; Y171-N216 HydrophobicContact CE1-CB 4.04Å; Y171-N216 VanDerWaalsContact CE1-ND2 3.34Å; Y171-N216 WeakPolarHBondContact CE1-ND2 3.2Å; Y171-N216 HydrophobicContact CE2-CB 3.92Å; Y171-N216 PolarHBondContact N-OD1 2.94Å; Y171-N216 PolarHBondContact O-N 3.17Å; Y171-N216 PolarHBondContact O-OD1 3.38Å; I173-N216 HydrophobicContact CD1-CB 4.33Å; F186-N216 HydrophobicContact CE2-CB 3.96Å; F186-N216 HydrophobicContact CZ-CB 3.95Å; N216-L219 PolarHBondContact O-N 3.44Å; N216-F220 WeakPolarHBondContact O-CB 3.4Å; N216-F220 PolarHBondContact O-N 3.4Å |
| 217 | V | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 176.3 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | T215 L219 F220 D221 V555 C556 W559 P616 V617 | T215-V217 PolarHBondContact O-N 3.4Å; T215-V217 PolarHBondContact OG1-N 3.31Å; V217-L219 PolarHBondContact O-N 3.21Å; V217-F220 PolarHBondContact O-N 3.49Å; V217-D221 WeakPolarHBondContact O-CB 3.46Å; V217-D221 PolarHBondContact O-N 3.47Å; V217-V555 HydrophobicContact CG2-CG1 4.16Å; V217-C556 HydrophobicContact CG2-CB 3.99Å; V217-W559 HydrophobicContact CG1-CB 3.97Å; V217-W559 HydrophobicContact CG1-CG 4.13Å; V217-P616 HydrophobicContact CG2-CB 4.32Å; V217-V617 HydrophobicContact CB-CG2 4.45Å; V217-V617 HydrophobicContact CG1-CG2 3.69Å |
| 218 | E | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -35.7 | 179.1 | -72.5 | 176.4 | 142.8 | 0 | 0 | 112.6 | R212 P214 T215 L222 V617 N618 L619 | R212-E218 IonicContact CZ-OE1 3.6Å; R212-E218 IonicContact CZ-OE2 3.42Å; R212-E218 IonicContact NH1-OE1 3.64Å; R212-E218 IonicContact NH1-OE2 2.72Å; R212-E218 PolarHBondContact NH1-OE2 3.26Å; R212-E218 VanDerWaalsContact NH2-CD 3.32Å; R212-E218 IonicContact NH2-OE1 3.38Å; R212-E218 PolarHBondContact NH2-OE1 3.1Å; R212-E218 IonicContact NH2-OE2 2.69Å; R212-E218 PolarHBondContact NH2-OE2 2.86Å; P214-E218 WeakPolarHBondContact CA-OE2 3.47Å; P214-E218 HydrophobicContact CB-CB 4.37Å; T215-E218 PolarHBondContact N-OE2 3.16Å; T215-E218 VanDerWaalsContact N-OE2 3.09Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CG 3.37Å; T215-E218 PolarHBondContact OG1-N 3.45Å; E218-L222 VanDerWaalsContact O-CB 3.3Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.85Å; E218-V617 HydrophobicContact CG-CB 4.42Å; E218-V617 HydrophobicContact CG-CG1 4.27Å; E218-V617 HydrophobicContact CG-CG2 4.41Å; E218-N618 PolarHBondContact OE1-N 3.34Å; E218-L619 HydrophobicContact CB-CD1 4.43Å; E218-L619 HydrophobicContact CB-CD2 4.23Å; E218-L619 HydrophobicContact CG-CD1 4.2Å; E218-L619 HydrophobicContact CG-CD2 3.96Å; E218-L619 HydrophobicContact CG-CG 4Å; E218-L619 WeakPolarHBondContact OE1-CD2 3.19Å |
| 219 | L | 91.9 | Very high | 89 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -72.5 | -34.4 | 175.1 | -71.4 | 174.6 | 0 | 0 | 0 | 112.5 | I173 L183 F186 I202 F206 P214 T215 N216 V217 A223 | I173-L219 HydrophobicContact CB-CD1 3.97Å; I173-L219 HydrophobicContact CD1-CD1 3.93Å; I173-L219 HydrophobicContact CG1-CD1 4.3Å; I173-L219 HydrophobicContact CG2-CD1 4.15Å; L183-L219 HydrophobicContact CD2-CD1 3.74Å; L183-L219 HydrophobicContact CD2-CD2 3.57Å; L183-L219 HydrophobicContact CD2-CG 4.32Å; F186-L219 HydrophobicContact CD1-CB 3.85Å; F186-L219 HydrophobicContact CD1-CD1 3.87Å; F186-L219 HydrophobicContact CE1-CB 3.37Å; F186-L219 HydrophobicContact CE1-CD1 4.11Å; F186-L219 HydrophobicContact CE1-CG 4.39Å; F186-L219 HydrophobicContact CG-CD1 4.45Å; F186-L219 HydrophobicContact CZ-CB 4.23Å; I202-L219 HydrophobicContact CG2-CD2 3.58Å; F206-L219 HydrophobicContact CE2-CD2 4.35Å; P214-L219 HydrophobicContact CB-CD1 4.3Å; P214-L219 HydrophobicContact CB-CD2 4.14Å; P214-L219 HydrophobicContact CB-CG 3.86Å; P214-L219 HydrophobicContact CG-CD1 3.67Å; P214-L219 HydrophobicContact CG-CD2 3.89Å; P214-L219 HydrophobicContact CG-CG 3.72Å; T215-L219 PolarHBondContact O-N 3.22Å; T215-L219 VanDerWaalsContact O-N 3.12Å; N216-L219 PolarHBondContact O-N 3.44Å; V217-L219 PolarHBondContact O-N 3.21Å; L219-A223 WeakPolarHBondContact O-CB 3.11Å; L219-A223 PolarHBondContact O-N 3.3Å |
| 220 | F | 89.5 | Confident | 88.6 | Confident | 20 Ų | 20 | 20.8 Ų | 20.8 | 9% | 0.088 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.6 | -44.6 | 174.3 | -154.3 | -74.8 | 0 | 0 | 0 | 111.2 | L192 N216 V217 A223 Q224 M462 A560 | L192-F220 HydrophobicContact CD2-CD2 3.71Å; L192-F220 HydrophobicContact CD2-CE2 3.71Å; L192-F220 HydrophobicContact CD2-CG 4.29Å; L192-F220 HydrophobicContact CD2-CZ 4.29Å; N216-F220 WeakPolarHBondContact O-CB 3.4Å; N216-F220 PolarHBondContact O-N 3.4Å; V217-F220 PolarHBondContact O-N 3.49Å; F220-A223 PolarHBondContact O-N 2.8Å; F220-Q224 HydrophobicContact CD1-CG 3.97Å; F220-Q224 HydrophobicContact CE1-CG 3.87Å; F220-Q224 PolarHBondContact O-N 2.9Å; F220-M462 HydrophobicContact CD1-CE 4.42Å; F220-M462 HydrophobicContact CE1-CE 3.93Å; F220-M462 HydrophobicContact CE2-CE 4.22Å; F220-M462 HydrophobicContact CZ-CE 3.82Å; F220-A560 HydrophobicContact CD1-CB 3.57Å; F220-A560 HydrophobicContact CE1-CB 4.03Å |
| 221 | D | 91.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.3 | -50.1 | 172.3 | 175.7 | 33.8 | 0 | 0 | 0 | 111.8 | V217 A223 Q224 S225 G527 K531 W559 | V217-D221 WeakPolarHBondContact O-CB 3.46Å; V217-D221 PolarHBondContact O-N 3.47Å; D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 2.77Å; D221-Q224 PolarHBondContact O-N 2.88Å; D221-S225 WeakPolarHBondContact O-CB 3.41Å; D221-S225 PolarHBondContact O-N 2.98Å; D221-S225 PolarHBondContact O-OG 2.62Å; D221-G527 VanDerWaalsContact OD1-C 3.26Å; D221-G527 VanDerWaalsContact OD1-CA 3.31Å; D221-G527 WeakPolarHBondContact OD1-CA 3.36Å; D221-G527 VanDerWaalsContact OD1-O 3.13Å; D221-K531 IonicContact OD1-NZ 3.45Å; D221-K531 PolarHBondContact OD1-NZ 3.32Å; D221-K531 IonicContact OD2-NZ 2.8Å; D221-K531 PolarHBondContact OD2-NZ 3.45Å; D221-W559 PolarHBondContact OD2-NE1 2.86Å |
| 222 | L | 89.9 | Confident | 88 | Confident | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.1 | -25.7 | 179.4 | -71.5 | 172.3 | 0 | 0 | 0 | 113.3 | F206 E218 N226 L619 I624 L627 | F206-L222 HydrophobicContact CE2-CD1 3.53Å; F206-L222 HydrophobicContact CZ-CD1 3.72Å; E218-L222 VanDerWaalsContact O-CB 3.3Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 WeakPolarHBondContact O-CG 3.41Å; E218-L222 PolarHBondContact O-N 2.85Å; L222-N226 WeakPolarHBondContact O-CB 3.36Å; L222-N226 PolarHBondContact O-N 3.39Å; L222-N226 PolarHBondContact O-ND2 3.16Å; L222-L619 HydrophobicContact CD1-CD1 4.49Å; L222-L619 HydrophobicContact CD2-CD1 4.46Å; L222-L619 HydrophobicContact CG-CD1 4.34Å; L222-I624 HydrophobicContact CD2-CG1 4.26Å; L222-L627 HydrophobicContact CD1-CD1 4.39Å; L222-L627 HydrophobicContact CD2-CD1 3.79Å |
| 223 | A | 85.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 2% | 0.017 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.6 | -50.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L192 L194 L219 F220 D221 N226 S227 | L192-A223 HydrophobicContact CB-CB 4Å; L192-A223 HydrophobicContact CD1-CB 4.08Å; L192-A223 HydrophobicContact CD2-CB 4.05Å; L192-A223 HydrophobicContact CG-CB 4.26Å; L194-A223 HydrophobicContact CD2-CB 3.8Å; L194-A223 HydrophobicContact CG-CB 4.47Å; L219-A223 WeakPolarHBondContact O-CB 3.11Å; L219-A223 PolarHBondContact O-N 3.3Å; F220-A223 PolarHBondContact O-N 2.8Å; D221-A223 VanDerWaalsContact C-N 3.29Å; D221-A223 PolarHBondContact O-N 2.77Å; A223-N226 PolarHBondContact O-N 2.82Å; A223-S227 PolarHBondContact O-N 3.41Å |
| 224 | Q | 82.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.2 | -49.1 | 179.3 | -57.4 | -43.1 | -48.7 | 0 | 0 | 111.4 | F220 D221 N226 S227 C230 S466 | F220-Q224 HydrophobicContact CD1-CG 3.97Å; F220-Q224 HydrophobicContact CE1-CG 3.87Å; F220-Q224 PolarHBondContact O-N 2.9Å; D221-Q224 PolarHBondContact O-N 2.88Å; Q224-N226 PolarHBondContact O-N 3.21Å; Q224-N226 VanDerWaalsContact O-N 3.13Å; Q224-S227 WeakPolarHBondContact O-CB 3.17Å; Q224-S227 PolarHBondContact O-N 2.87Å; Q224-S227 VanDerWaalsContact O-N 3.12Å; Q224-S227 PolarHBondContact O-OG 3.32Å; Q224-C230 PolarHBondContact O-SG 3.39Å; Q224-C230 VanDerWaalsContact O-SG 3.38Å; Q224-S466 PolarHBondContact NE2-OG 2.89Å; Q224-S466 PolarHBondContact OE1-OG 2.86Å |
| 225 | S | 82.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 5.4 | -179 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | D221 R231 N528 K531 | D221-S225 WeakPolarHBondContact O-CB 3.41Å; D221-S225 PolarHBondContact O-N 2.98Å; D221-S225 PolarHBondContact O-OG 2.62Å; S225-R231 PolarHBondContact O-NE 3.37Å; S225-R231 PolarHBondContact O-NH2 3.03Å; S225-N528 VanDerWaalsContact CB-OD1 3.22Å; S225-N528 WeakPolarHBondContact CB-OD1 3.28Å; S225-K531 PolarHBondContact OG-NZ 3.16Å |
| 226 | N | 82.1 | Confident | 87.5 | Confident | 10 Ų | 10 | 17.4 Ų | 17.4 | 5% | 0.053 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 10.6 | 164.6 | -62.1 | -75.7 | 0 | 0 | 0 | 114 | L222 A223 Q224 W233 | L222-N226 WeakPolarHBondContact O-CB 3.36Å; L222-N226 PolarHBondContact O-N 3.39Å; L222-N226 PolarHBondContact O-ND2 3.16Å; A223-N226 PolarHBondContact O-N 2.82Å; Q224-N226 PolarHBondContact O-N 3.21Å; Q224-N226 VanDerWaalsContact O-N 3.13Å; N226-W233 PolarHBondContact O-NE1 3.31Å |
| 227 | S | 81.8 | Confident | 87.5 | Confident | 12 Ų | 12 | 16.9 Ų | 16.9 | 8% | 0.084 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -60.8 | 161.6 | 174 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | A223 Q224 H229 C230 R231 | A223-S227 PolarHBondContact O-N 3.41Å; Q224-S227 WeakPolarHBondContact O-CB 3.17Å; Q224-S227 PolarHBondContact O-N 2.87Å; Q224-S227 VanDerWaalsContact O-N 3.12Å; Q224-S227 PolarHBondContact O-OG 3.32Å; S227-H229 PolarHBondContact O-N 3.37Å; S227-C230 PolarHBondContact O-N 3.09Å; S227-C230 PolarHBondContact OG-N 3.09Å; S227-C230 PolarHBondContact OG-SG 2.94Å; S227-R231 PolarHBondContact O-N 2.56Å |
| 228 | E | 82.4 | Confident | 87.5 | Confident | 27 Ų | 27 | 18.8 Ų | 18.8 | 13% | 0.126 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.4 | -44 | 174.4 | -168.6 | 64.9 | -132.7 | 0 | 0 | 110.8 | C230 R231 H232 W233 F234 | E228-C230 VanDerWaalsContact C-N 3.29Å; E228-C230 PolarHBondContact O-N 2.7Å; E228-R231 PolarHBondContact O-N 3.26Å; E228-H232 WeakPolarHBondContact O-CA 3.11Å; E228-H232 PolarHBondContact O-N 2.91Å; E228-W233 WeakPolarHBondContact OE1-CA 3.47Å; E228-W233 PolarHBondContact OE1-N 2.69Å; E228-F234 PolarHBondContact OE1-N 3.14Å |
| 229 | H | 77.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 18.9 Ų | 18.9 | 24% | 0.236 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.8 | -32.2 | -179.4 | -173.6 | -95.6 | 0 | 0 | 0 | 114.2 | S227 | S227-H229 PolarHBondContact O-N 3.37Å |
| 230 | C | 80.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 21 Ų | 21 | 14% | 0.142 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -99.5 | -20.3 | -177.6 | -59 | 0 | 0 | 0 | 0 | 113.7 | Q224 S227 E228 | Q224-C230 PolarHBondContact O-SG 3.39Å; Q224-C230 VanDerWaalsContact O-SG 3.38Å; S227-C230 PolarHBondContact O-N 3.09Å; S227-C230 PolarHBondContact OG-N 3.09Å; S227-C230 PolarHBondContact OG-SG 2.94Å; E228-C230 VanDerWaalsContact C-N 3.29Å; E228-C230 PolarHBondContact O-N 2.7Å |
| 231 | R | 82.8 | Confident | 87.9 | Confident | 39 Ų | 39 | 20.8 Ų | 20.8 | 15% | 0.147 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -110.8 | -21.8 | -178.6 | -67.2 | -62.8 | 172.7 | -138 | -10.5 | 114.5 | S225 S227 E228 W233 K236 E532 | S225-R231 PolarHBondContact O-NE 3.37Å; S225-R231 PolarHBondContact O-NH2 3.03Å; S227-R231 PolarHBondContact O-N 2.56Å; E228-R231 PolarHBondContact O-N 3.26Å; R231-W233 HydrophobicContact CB-CD2 3.89Å; R231-W233 HydrophobicContact CB-CE3 4.49Å; R231-W233 HydrophobicContact CB-CG 4.22Å; R231-W233 HydrophobicContact CB-CZ2 3.96Å; R231-W233 HydrophobicContact CG-CZ2 3.93Å; R231-K236 WeakPolarHBondContact O-CD 3.49Å; R231-K236 WeakPolarHBondContact O-CE 3.22Å; R231-K236 PolarHBondContact O-NZ 2.88Å; R231-E532 IonicContact CZ-OE1 3.54Å; R231-E532 IonicContact NH1-OE1 3.44Å; R231-E532 PolarHBondContact NH1-OE1 3.28Å; R231-E532 IonicContact NH2-OE1 3.12Å |
| 232 | H | 88.5 | Confident | 88 | Confident | 39 Ų | 39 | 25.1 Ų | 25.1 | 18% | 0.181 | 13% | 0.126 | C | C | . | . | trans | 56.4 | 51.1 | -178 | -45.8 | -91.4 | 0 | 0 | 0 | 110.9 | E228 F234 F235 K236 D799 | E228-H232 WeakPolarHBondContact O-CA 3.11Å; E228-H232 PolarHBondContact O-N 2.91Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 2.73Å; H232-F235 HydrophobicContact CB-CB 4.23Å; H232-F235 PolarHBondContact O-N 2.87Å; H232-K236 PolarHBondContact O-N 2.91Å; H232-D799 IonicContact CE1-OD1 3.82Å; H232-D799 IonicContact CG-OD1 3.12Å; H232-D799 IonicContact ND1-OD1 2.65Å; H232-D799 PolarHBondContact ND1-OD1 3.19Å | ||
| 233 | W | 88.9 | Confident | 88.1 | Confident | 17 Ų | 17 | 27.6 Ų | 27.6 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | -172.8 | -68 | 119.5 | 0 | 0 | 0 | 112 | N226 E228 R231 G237 Q630 K632 F634 | N226-W233 PolarHBondContact O-NE1 3.31Å; E228-W233 WeakPolarHBondContact OE1-CA 3.47Å; E228-W233 PolarHBondContact OE1-N 2.69Å; R231-W233 HydrophobicContact CB-CD2 3.89Å; R231-W233 HydrophobicContact CB-CE3 4.49Å; R231-W233 HydrophobicContact CB-CG 4.22Å; R231-W233 HydrophobicContact CB-CZ2 3.96Å; R231-W233 HydrophobicContact CG-CZ2 3.93Å; W233-G237 WeakPolarHBondContact O-CA 3.48Å; W233-G237 PolarHBondContact O-N 3.01Å; W233-Q630 WeakPolarHBondContact CZ3-O 3.46Å; W233-K632 HydrophobicContact CB-CB 4.48Å; W233-K632 HydrophobicContact CB-CD 3.98Å; W233-K632 HydrophobicContact CB-CG 4.37Å; W233-K632 HydrophobicContact CD2-CD 3.95Å; W233-K632 HydrophobicContact CD2-CG 4.04Å; W233-K632 HydrophobicContact CE3-CD 4.44Å; W233-K632 HydrophobicContact CE3-CG 4.01Å; W233-K632 HydrophobicContact CG-CD 3.75Å; W233-K632 HydrophobicContact CG-CG 4.24Å; W233-F634 HydrophobicContact CB-CZ 4.11Å; W233-F634 WeakPolarHBondContact O-CE2 3.32Å |
| 234 | F | 91.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 176.7 | -167.4 | -96.7 | 0 | 0 | 0 | 111.8 | E228 H232 L239 L250 F634 L636 D773 L776 L801 | E228-F234 PolarHBondContact OE1-N 3.14Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 2.73Å; F234-L239 HydrophobicContact CE2-CD2 4.4Å; F234-L239 HydrophobicContact CZ-CD2 4.45Å; F234-L250 HydrophobicContact CD1-CD1 3.96Å; F234-L250 HydrophobicContact CE1-CD1 3.84Å; F234-F634 HydrophobicContact CB-CZ 4.36Å; F234-F634 HydrophobicContact CD2-CB 4.38Å; F234-F634 AromaticContact CD2-CD1 3.71Å; F234-F634 HydrophobicContact CD2-CD1 3.71Å; F234-F634 HydrophobicContact CD2-CD2 4.17Å; F234-F634 AromaticContact CD2-CE1 3.97Å; F234-F634 HydrophobicContact CD2-CE1 3.97Å; F234-F634 HydrophobicContact CD2-CE2 4.42Å; F234-F634 AromaticContact CD2-CG 3.81Å; F234-F634 HydrophobicContact CD2-CG 3.81Å; F234-F634 HydrophobicContact CD2-CZ 4.32Å; F234-F634 HydrophobicContact CE2-CB 4.19Å; F234-F634 HydrophobicContact CE2-CD1 4.16Å; F234-F634 HydrophobicContact CE2-CG 4.11Å; F234-L636 HydrophobicContact CZ-CD2 4.49Å; F234-D773 HydrophobicContact CE2-CB 4.21Å; F234-D773 HydrophobicContact CZ-CB 3.9Å; F234-L776 HydrophobicContact CD1-CD2 4.07Å; F234-L776 HydrophobicContact CE1-CD2 3.73Å; F234-L776 HydrophobicContact CE1-CG 4.4Å; F234-L801 HydrophobicContact CB-CD1 3.47Å; F234-L801 VanDerWaalsContact CB-CD1 3.47Å; F234-L801 HydrophobicContact CD1-CD1 4.03Å; F234-L801 HydrophobicContact CG-CD1 3.93Å |
| 235 | F | 94.5 | Very high | 89.1 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 4% | 0.044 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.1 | -32.1 | 179.8 | -97.6 | -99.3 | 0 | 0 | 0 | 113.5 | H232 S249 L250 F251 W763 L776 D799 L801 | H232-F235 HydrophobicContact CB-CB 4.23Å; H232-F235 PolarHBondContact O-N 2.87Å; F235-S249 WeakPolarHBondContact O-CB 3.29Å; F235-S249 PolarHBondContact O-OG 2.93Å; F235-L250 HydrophobicContact CD1-CB 3.47Å; F235-L250 VanDerWaalsContact CD1-CB 3.47Å; F235-L250 HydrophobicContact CD1-CD1 4.16Å; F235-L250 HydrophobicContact CD1-CG 4.44Å; F235-L250 HydrophobicContact CD2-CD1 4.08Å; F235-L250 HydrophobicContact CE1-CB 3.69Å; F235-L250 HydrophobicContact CE1-CD1 3.96Å; F235-L250 HydrophobicContact CE2-CD1 3.87Å; F235-L250 HydrophobicContact CG-CB 4.02Å; F235-L250 HydrophobicContact CG-CD1 4.2Å; F235-L250 HydrophobicContact CZ-CB 4.4Å; F235-L250 HydrophobicContact CZ-CD1 3.8Å; F235-L250 PolarHBondContact O-N 3.2Å; F235-F251 HydrophobicContact CB-CB 4.44Å; F235-F251 VanDerWaalsContact O-CB 3.26Å; F235-F251 WeakPolarHBondContact O-CB 3.35Å; F235-F251 PolarHBondContact O-N 3.44Å; F235-W763 AromaticContact CE1-CD1 3.95Å; F235-W763 HydrophobicContact CE1-CG 4.47Å; F235-W763 AromaticContact CE1-NE1 3.9Å; F235-W763 HydrophobicContact CE2-CB 4.39Å; F235-W763 HydrophobicContact CE2-CG 4.35Å; F235-W763 HydrophobicContact CZ-CB 4.13Å; F235-W763 AromaticContact CZ-CD1 3.5Å; F235-W763 VanDerWaalsContact CZ-CD1 3.5Å; F235-W763 HydrophobicContact CZ-CD2 4.03Å; F235-W763 AromaticContact CZ-CG 3.62Å; F235-W763 HydrophobicContact CZ-CG 3.62Å; F235-W763 AromaticContact CZ-NE1 3.79Å; F235-L776 HydrophobicContact CE2-CD2 4.3Å; F235-L776 HydrophobicContact CZ-CD1 4.48Å; F235-D799 HydrophobicContact CD2-CB 3.95Å; F235-D799 HydrophobicContact CE2-CB 3.67Å; F235-D799 HydrophobicContact CZ-CB 4.41Å; F235-L801 HydrophobicContact CE2-CD2 4.34Å |
| 236 | K | 92.9 | Very high | 89.7 | Confident | 88 Ų | 88 | 37.7 Ų | 37.7 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -97 | -11.3 | 179.1 | -63.1 | 173.4 | -166.8 | 155.7 | 0 | 113.6 | R231 H232 F251 Q631 | R231-K236 WeakPolarHBondContact O-CD 3.49Å; R231-K236 WeakPolarHBondContact O-CE 3.22Å; R231-K236 PolarHBondContact O-NZ 2.88Å; H232-K236 PolarHBondContact O-N 2.91Å; K236-F251 HydrophobicContact CG-CB 4.26Å; K236-F251 HydrophobicContact CG-CD1 4.4Å; K236-F251 HydrophobicContact CG-CG 4.41Å; K236-Q631 PolarHBondContact O-NE2 3.2Å |
| 237 | G | 92.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -71.4 | 169 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W233 S249 K632 | W233-G237 WeakPolarHBondContact O-CA 3.48Å; W233-G237 PolarHBondContact O-N 3.01Å; G237-S249 WeakPolarHBondContact O-CB 3.15Å; G237-K632 VanDerWaalsContact CA-O 3.27Å; G237-K632 WeakPolarHBondContact CA-O 3.33Å |
| 238 | S | 93.5 | Very high | 90.8 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.5 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 109 | K632 K633 F634 | S238-K632 PolarHBondContact N-O 3Å; S238-K633 CarbonylContact O-C 3.51Å; S238-K633 WeakPolarHBondContact O-CA 3.49Å; S238-F634 PolarHBondContact O-N 2.6Å |
| 239 | L | 94.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.3 | -179 | -50 | -179.2 | 0 | 0 | 0 | 109.7 | F234 E246 L250 F634 L636 L777 | F234-L239 HydrophobicContact CE2-CD2 4.4Å; F234-L239 HydrophobicContact CZ-CD2 4.45Å; L239-E246 HydrophobicContact CB-CB 4.14Å; L239-E246 HydrophobicContact CB-CG 4.09Å; L239-E246 PolarHBondContact O-N 3.22Å; L239-L250 HydrophobicContact CD1-CD2 3.83Å; L239-L250 HydrophobicContact CD1-CG 4.03Å; L239-F634 HydrophobicContact CD2-CB 4Å; L239-F634 HydrophobicContact CD2-CD2 4.13Å; L239-F634 HydrophobicContact CD2-CG 4.41Å; L239-L636 HydrophobicContact CB-CD1 4.21Å; L239-L636 HydrophobicContact CD2-CD1 4.19Å; L239-L777 HydrophobicContact CD1-CD1 4.06Å |
| 240 | E | 95.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 42.3 Ų | 42.3 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 118.4 | 174.9 | -177 | 170.1 | 99.4 | 0 | 0 | 109.6 | V244 K633 F634 N635 L636 | E240-V244 CarbonylContact C-O 3.49Å; E240-V244 WeakPolarHBondContact CA-O 3.04Å; E240-K633 IonicContact OE1-NZ 2.72Å; E240-K633 PolarHBondContact OE1-NZ 2.87Å; E240-K633 WeakPolarHBondContact OE2-CE 3.25Å; E240-K633 IonicContact OE2-NZ 2.68Å; E240-K633 PolarHBondContact OE2-NZ 2.89Å; E240-F634 PolarHBondContact N-O 2.98Å; E240-N635 CarbonylContact O-C 3.54Å; E240-N635 WeakPolarHBondContact O-CA 3.41Å; E240-L636 PolarHBondContact O-N 3.39Å |
| 241 | V | 94.1 | Very high | 93 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.3 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | G243 V244 E246 L636 F774 L777 | V241-G243 PolarHBondContact O-N 3.38Å; V241-V244 PolarHBondContact N-O 2.89Å; V241-V244 PolarHBondContact O-N 2.93Å; V241-E246 HydrophobicContact CG2-CG 4.2Å; V241-L636 HydrophobicContact CG2-CB 4.23Å; V241-L636 HydrophobicContact CG2-CD2 4.41Å; V241-F774 HydrophobicContact CG1-CD2 3.85Å; V241-F774 HydrophobicContact CG1-CE2 3.72Å; V241-F774 HydrophobicContact CG2-CD2 4.21Å; V241-F774 HydrophobicContact CG2-CE2 4.38Å; V241-L777 HydrophobicContact CG2-CD2 3.54Å |
| 242 | D | 93.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.1 | 177.9 | -61.1 | -57.2 | 0 | 0 | 0 | 114.5 | L636 K637 S638 | D242-L636 PolarHBondContact N-O 3.07Å; D242-K637 WeakPolarHBondContact OD1-CA 3.18Å; D242-S638 WeakPolarHBondContact OD2-CB 3.15Å; D242-S638 PolarHBondContact OD2-N 3Å; D242-S638 PolarHBondContact OD2-OG 2.95Å |
| 243 | G | 92.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | 2.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | V241 | V241-G243 PolarHBondContact O-N 3.38Š|
| 244 | V | 94.5 | Very high | 94.5 | Very high | 105 Ų | 105 | 43 Ų | 43 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.4 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | E240 V241 | E240-V244 CarbonylContact C-O 3.49Å; E240-V244 WeakPolarHBondContact CA-O 3.04Å; V241-V244 PolarHBondContact N-O 2.89Å; V241-V244 PolarHBondContact O-N 2.93Å |
| 245 | A | 94.2 | Very high | 94.7 | Very high | 64 Ų | 64 | 45 Ų | 45 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 131.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 246 | E | 94.9 | Very high | 94.9 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | trans | -70 | 140.9 | 171.6 | -76 | -69.9 | 159.5 | 0 | 0 | 110.9 | L239 V241 Q248 L777 R781 | L239-E246 HydrophobicContact CB-CB 4.14Å; L239-E246 HydrophobicContact CB-CG 4.09Å; L239-E246 PolarHBondContact O-N 3.22Å; V241-E246 HydrophobicContact CG2-CG 4.2Å; E246-Q248 PolarHBondContact O-N 3.47Å; E246-L777 HydrophobicContact CG-CD2 4.05Å; E246-R781 IonicContact OE1-CZ 2.85Å; E246-R781 IonicContact OE1-NH2 3.35Å; E246-R781 PolarHBondContact OE1-NH2 2.94Å; E246-R781 IonicContact OE2-CZ 2.73Å; E246-R781 IonicContact OE2-NH2 3.52Å; E246-R781 PolarHBondContact OE2-NH2 3.08Å | ||
| 247 | S | 92.8 | Very high | 95.1 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 80% | 0.804 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -70.4 | -15.6 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 248 | Q | 93.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 45 Ų | 45 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -148.5 | 148.6 | -177.1 | -61.2 | -165.4 | -101.5 | 0 | 0 | 109.9 | E246 A252 M253 | E246-Q248 PolarHBondContact O-N 3.47Å; Q248-A252 HydrophobicContact CB-CB 4.08Å; Q248-A252 PolarHBondContact NE2-O 3.29Å; Q248-A252 VanDerWaalsContact NE2-O 3.16Å; Q248-M253 HydrophobicContact CB-CE 4.19Å; Q248-M253 HydrophobicContact CB-CG 3.9Å; Q248-M253 VanDerWaalsContact O-CE 3.31Å; Q248-M253 WeakPolarHBondContact O-CE 3.33Å |
| 249 | S | 95.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -74 | 163.3 | 164.5 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | F235 G237 F251 A252 M253 | F235-S249 WeakPolarHBondContact O-CB 3.29Å; F235-S249 PolarHBondContact O-OG 2.93Å; G237-S249 WeakPolarHBondContact O-CB 3.15Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 3.46Å; S249-A252 WeakPolarHBondContact O-CB 3.29Å; S249-A252 PolarHBondContact O-N 3.05Å; S249-A252 WeakPolarHBondContact OG-CB 3.24Å; S249-A252 PolarHBondContact OG-N 3.15Å; S249-M253 WeakPolarHBondContact O-CG 3.4Å; S249-M253 PolarHBondContact O-N 3.33Å | ||
| 250 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 179 | -56.9 | -172.5 | 0 | 0 | 0 | 111.6 | F234 F235 L239 A252 M253 V254 L776 L777 C780 | F234-L250 HydrophobicContact CD1-CD1 3.96Å; F234-L250 HydrophobicContact CE1-CD1 3.84Å; F235-L250 HydrophobicContact CD1-CB 3.47Å; F235-L250 VanDerWaalsContact CD1-CB 3.47Å; F235-L250 HydrophobicContact CD1-CD1 4.16Å; F235-L250 HydrophobicContact CD1-CG 4.44Å; F235-L250 HydrophobicContact CD2-CD1 4.08Å; F235-L250 HydrophobicContact CE1-CB 3.69Å; F235-L250 HydrophobicContact CE1-CD1 3.96Å; F235-L250 HydrophobicContact CE2-CD1 3.87Å; F235-L250 HydrophobicContact CG-CB 4.02Å; F235-L250 HydrophobicContact CG-CD1 4.2Å; F235-L250 HydrophobicContact CZ-CB 4.4Å; F235-L250 HydrophobicContact CZ-CD1 3.8Å; F235-L250 PolarHBondContact O-N 3.2Å; L239-L250 HydrophobicContact CD1-CD2 3.83Å; L239-L250 HydrophobicContact CD1-CG 4.03Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 3.2Å; L250-M253 WeakPolarHBondContact O-CB 3.36Å; L250-M253 PolarHBondContact O-N 3.47Å; L250-M253 VanDerWaalsContact O-N 3.1Å; L250-V254 WeakPolarHBondContact O-CG2 3.5Å; L250-V254 PolarHBondContact O-N 3.44Å; L250-L776 HydrophobicContact CD1-CD2 4.3Å; L250-L776 HydrophobicContact CD1-CG 4.1Å; L250-L777 HydrophobicContact CD2-CB 4.33Å; L250-L777 HydrophobicContact CD2-CD1 3.56Å; L250-C780 HydrophobicContact CD2-CB 4.09Å |
| 251 | F | 95.7 | Very high | 95.6 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 177 | -173.4 | -111.3 | 0 | 0 | 0 | 111.9 | F235 K236 S249 V254 V255 F269 | F235-F251 HydrophobicContact CB-CB 4.44Å; F235-F251 VanDerWaalsContact O-CB 3.26Å; F235-F251 WeakPolarHBondContact O-CB 3.35Å; F235-F251 PolarHBondContact O-N 3.44Å; K236-F251 HydrophobicContact CG-CB 4.26Å; K236-F251 HydrophobicContact CG-CD1 4.4Å; K236-F251 HydrophobicContact CG-CG 4.41Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 3.46Å; F251-V254 PolarHBondContact O-N 3.06Å; F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CD2-CG2 4.48Å; F251-V255 HydrophobicContact CE1-CG2 3.85Å; F251-V255 HydrophobicContact CE2-CG2 4.18Å; F251-V255 HydrophobicContact CG-CG2 4.47Å; F251-V255 HydrophobicContact CZ-CG2 3.86Å; F251-V255 WeakPolarHBondContact O-CB 3.19Å; F251-V255 VanDerWaalsContact O-CG2 3.25Å; F251-V255 WeakPolarHBondContact O-CG2 3.49Å; F251-V255 PolarHBondContact O-N 3.14Å; F251-F269 AromaticContact CE2-CD1 3.71Å; F251-F269 HydrophobicContact CE2-CD1 3.71Å; F251-F269 HydrophobicContact CE2-CE1 4.09Å; F251-F269 HydrophobicContact CZ-CB 4.22Å; F251-F269 AromaticContact CZ-CD1 3.83Å; F251-F269 HydrophobicContact CZ-CD1 3.83Å; F251-F269 HydrophobicContact CZ-CG 4.21Å |
| 252 | A | 96.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.7 | -29.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q248 S249 L250 K256 | Q248-A252 HydrophobicContact CB-CB 4.08Å; Q248-A252 PolarHBondContact NE2-O 3.29Å; Q248-A252 VanDerWaalsContact NE2-O 3.16Å; S249-A252 WeakPolarHBondContact O-CB 3.29Å; S249-A252 PolarHBondContact O-N 3.05Å; S249-A252 WeakPolarHBondContact OG-CB 3.24Å; S249-A252 PolarHBondContact OG-N 3.15Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 3.2Å; A252-K256 WeakPolarHBondContact O-CB 3.28Å; A252-K256 PolarHBondContact O-N 3.47Å |
| 253 | M | 97.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 170 | -59.7 | -175.1 | -160.5 | 0 | 0 | 111.3 | Q248 S249 L250 K256 T257 L777 | Q248-M253 HydrophobicContact CB-CE 4.19Å; Q248-M253 HydrophobicContact CB-CG 3.9Å; Q248-M253 VanDerWaalsContact O-CE 3.31Å; Q248-M253 WeakPolarHBondContact O-CE 3.33Å; S249-M253 WeakPolarHBondContact O-CG 3.4Å; S249-M253 PolarHBondContact O-N 3.33Å; L250-M253 WeakPolarHBondContact O-CB 3.36Å; L250-M253 PolarHBondContact O-N 3.47Å; L250-M253 VanDerWaalsContact O-N 3.1Å; M253-K256 WeakPolarHBondContact O-CB 3.05Å; M253-K256 PolarHBondContact O-N 3.18Å; M253-K256 VanDerWaalsContact O-N 3.16Å; M253-T257 PolarHBondContact O-N 3.4Å; M253-L777 HydrophobicContact CE-CD1 3.87Å |
| 254 | V | 97.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 178.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | L250 F251 K256 T257 F269 M783 V794 | L250-V254 WeakPolarHBondContact O-CG2 3.5Å; L250-V254 PolarHBondContact O-N 3.44Å; F251-V254 PolarHBondContact O-N 3.06Å; V254-K256 PolarHBondContact O-N 2.74Å; V254-T257 WeakPolarHBondContact O-CB 3.24Å; V254-T257 WeakPolarHBondContact O-CG2 3.44Å; V254-T257 PolarHBondContact O-N 2.9Å; V254-T257 VanDerWaalsContact O-N 3.16Å; V254-T257 PolarHBondContact O-OG1 3.22Å; V254-F269 HydrophobicContact CG1-CE1 4.24Å; V254-F269 HydrophobicContact CG1-CZ 4.3Å; V254-M783 HydrophobicContact CG2-CE 4.25Å; V254-V794 HydrophobicContact CG1-CB 3.67Å; V254-V794 HydrophobicContact CG1-CG1 3.53Å; V254-V794 HydrophobicContact CG1-CG2 4.18Å |
| 255 | V | 96.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.5 | -34.6 | 175.7 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | F251 T257 Q258 F269 | F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CD2-CG2 4.48Å; F251-V255 HydrophobicContact CE1-CG2 3.85Å; F251-V255 HydrophobicContact CE2-CG2 4.18Å; F251-V255 HydrophobicContact CG-CG2 4.47Å; F251-V255 HydrophobicContact CZ-CG2 3.86Å; F251-V255 WeakPolarHBondContact O-CB 3.19Å; F251-V255 VanDerWaalsContact O-CG2 3.25Å; F251-V255 WeakPolarHBondContact O-CG2 3.49Å; F251-V255 PolarHBondContact O-N 3.14Å; V255-T257 VanDerWaalsContact C-N 3.28Å; V255-T257 PolarHBondContact O-N 3.23Å; V255-Q258 VanDerWaalsContact O-CB 3.26Å; V255-Q258 WeakPolarHBondContact O-CB 3.48Å; V255-Q258 WeakPolarHBondContact O-CG 3.43Å; V255-Q258 PolarHBondContact O-N 3.29Å; V255-F269 HydrophobicContact CB-CE2 4.25Å; V255-F269 HydrophobicContact CB-CZ 4.42Å; V255-F269 HydrophobicContact CG1-CE2 4.4Å; V255-F269 HydrophobicContact CG2-CD1 4.21Å; V255-F269 HydrophobicContact CG2-CD2 3.95Å; V255-F269 HydrophobicContact CG2-CE1 4.05Å; V255-F269 HydrophobicContact CG2-CE2 3.78Å; V255-F269 HydrophobicContact CG2-CG 4.17Å; V255-F269 HydrophobicContact CG2-CZ 3.82Å |
| 256 | K | 97.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 49 Ų | 49 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -23.7 | -179.2 | -164.4 | 173.8 | -175.6 | 177.7 | 0 | 114.1 | A252 M253 V254 Q258 E259 | A252-K256 WeakPolarHBondContact O-CB 3.28Å; A252-K256 PolarHBondContact O-N 3.47Å; M253-K256 WeakPolarHBondContact O-CB 3.05Å; M253-K256 PolarHBondContact O-N 3.18Å; M253-K256 VanDerWaalsContact O-N 3.16Å; V254-K256 PolarHBondContact O-N 2.74Å; K256-Q258 PolarHBondContact O-N 2.74Å; K256-E259 WeakPolarHBondContact CE-OE2 3.09Å; K256-E259 VanDerWaalsContact CG-CD 3.44Å; K256-E259 HydrophobicContact CG-CG 4.17Å; K256-E259 WeakPolarHBondContact CG-OE2 3.5Å; K256-E259 WeakPolarHBondContact O-CB 3.29Å; K256-E259 WeakPolarHBondContact O-CG 3.49Å; K256-E259 PolarHBondContact O-N 3.05Å |
| 257 | T | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -54.4 | -30.3 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | M253 V254 V255 E259 N260 C784 M787 A793 V794 | M253-T257 PolarHBondContact O-N 3.4Å; V254-T257 WeakPolarHBondContact O-CB 3.24Å; V254-T257 WeakPolarHBondContact O-CG2 3.44Å; V254-T257 PolarHBondContact O-N 2.9Å; V254-T257 VanDerWaalsContact O-N 3.16Å; V254-T257 PolarHBondContact O-OG1 3.22Å; V255-T257 VanDerWaalsContact C-N 3.28Å; V255-T257 PolarHBondContact O-N 3.23Å; T257-E259 PolarHBondContact O-N 2.95Å; T257-E259 VanDerWaalsContact O-N 3.13Å; T257-N260 PolarHBondContact O-N 3.14Å; T257-C784 HydrophobicContact CG2-CB 3.84Å; T257-M787 HydrophobicContact CG2-CB 4.28Å; T257-M787 HydrophobicContact CG2-SD 4.39Å; T257-A793 WeakPolarHBondContact OG1-CA 3.48Å; T257-V794 PolarHBondContact OG1-N 2.82Å |
| 258 | Q | 97.2 | Very high | 96.8 | Very high | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -55.3 | -27 | 175.8 | -68.7 | -77.2 | -33.7 | 0 | 0 | 114.5 | V255 K256 N260 N265 K268 F269 A793 V794 | V255-Q258 VanDerWaalsContact O-CB 3.26Å; V255-Q258 WeakPolarHBondContact O-CB 3.48Å; V255-Q258 WeakPolarHBondContact O-CG 3.43Å; V255-Q258 PolarHBondContact O-N 3.29Å; K256-Q258 PolarHBondContact O-N 2.74Å; Q258-N260 PolarHBondContact O-N 2.79Å; Q258-N265 PolarHBondContact NE2-OD1 2.67Å; Q258-N265 PolarHBondContact OE1-OD1 3.25Å; Q258-N265 VanDerWaalsContact OE1-OD1 3.13Å; Q258-K268 HydrophobicContact CG-CD 4.3Å; Q258-F269 HydrophobicContact CG-CE2 4.15Å; Q258-A793 HydrophobicContact CG-CB 4.15Å; Q258-V794 PolarHBondContact NE2-O 2.96Å |
| 259 | E | 97.2 | Very high | 96.8 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -62.2 | -21.6 | 179.6 | -66.4 | 178.7 | 172.8 | 0 | 0 | 113.5 | K256 T257 | K256-E259 WeakPolarHBondContact CE-OE2 3.09Å; K256-E259 VanDerWaalsContact CG-CD 3.44Å; K256-E259 HydrophobicContact CG-CG 4.17Å; K256-E259 WeakPolarHBondContact CG-OE2 3.5Å; K256-E259 WeakPolarHBondContact O-CB 3.29Å; K256-E259 WeakPolarHBondContact O-CG 3.49Å; K256-E259 PolarHBondContact O-N 3.05Å; T257-E259 PolarHBondContact O-N 2.95Å; T257-E259 VanDerWaalsContact O-N 3.13Å |
| 260 | N | 95.2 | Very high | 96.6 | Very high | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -109.8 | -7.4 | -170.2 | -64.7 | -77.2 | 0 | 0 | 0 | 114.5 | T257 Q258 K755 S788 | T257-N260 PolarHBondContact O-N 3.14Å; Q258-N260 PolarHBondContact O-N 2.79Å; N260-K755 PolarHBondContact O-NZ 2.96Å; N260-S788 WeakPolarHBondContact ND2-CB 3.45Å; N260-S788 PolarHBondContact ND2-OG 3.24Å |
| 261 | S | 96.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -103.5 | 168.2 | -177.8 | 77.4 | 0 | 0 | 0 | 0 | 113 | K758 G791 A793 | S261-K758 VanDerWaalsContact OG-CE 3.22Å; S261-K758 WeakPolarHBondContact OG-CE 3.41Å; S261-K758 PolarHBondContact OG-NZ 3.04Å; S261-G791 WeakPolarHBondContact CA-O 3.3Å; S261-G791 WeakPolarHBondContact CB-O 3.45Å; S261-A793 WeakPolarHBondContact OG-CB 3.48Å |
| 262 | N | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | trans | -68.3 | 141.9 | 174.8 | -71.6 | -6.9 | 0 | 0 | 0 | 110.8 | N264 K755 D756 K758 | N262-N264 PolarHBondContact O-N 3.47Å; N262-N264 PolarHBondContact O-OD1 3.39Å; N262-K755 HydrophobicContact CB-CB 4.26Å; N262-K755 WeakPolarHBondContact CB-O 3.39Å; N262-K755 VanDerWaalsContact CG-CB 3.45Å; N262-K755 PolarHBondContact N-O 2.92Å; N262-K755 WeakPolarHBondContact OD1-CB 3.31Å; N262-D756 WeakPolarHBondContact CB-OD1 3.08Å; N262-D756 PolarHBondContact ND2-OD1 3Å; N262-K758 PolarHBondContact O-NZ 2.81Å | ||
| 263 | L | 96.4 | Very high | 96.3 | Very high | 152 Ų | 152 | 47 Ų | 47 | 80% | 0.796 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -78.6 | 60.3 | -179.4 | -61.7 | 178.1 | 0 | 0 | 0 | 112 | ||
| 264 | N | 97.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | trans | -98.3 | -10.2 | 179.4 | 71.4 | -22.2 | 0 | 0 | 0 | 114.4 | N262 V266 I276 R277 D756 K758 | N262-N264 PolarHBondContact O-N 3.47Å; N262-N264 PolarHBondContact O-OD1 3.39Å; N264-V266 PolarHBondContact O-N 2.83Å; N264-I276 CarbonylContact O-C 3.54Å; N264-I276 WeakPolarHBondContact O-CA 3.14Å; N264-R277 HydrophobicContact CB-CB 4.49Å; N264-R277 PolarHBondContact O-N 2.88Å; N264-D756 WeakPolarHBondContact ND2-CB 3.07Å; N264-D756 PolarHBondContact ND2-O 2.97Å; N264-K758 VanDerWaalsContact OD1-CE 3.28Å; N264-K758 WeakPolarHBondContact OD1-CE 3.49Å; N264-K758 PolarHBondContact OD1-NZ 2.88Å | ||
| 265 | N | 97.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 135.1 | 174.6 | -80.5 | 112 | 0 | 0 | 0 | 112.5 | Q258 I267 K268 A275 K758 D795 | Q258-N265 PolarHBondContact NE2-OD1 2.67Å; Q258-N265 PolarHBondContact OE1-OD1 3.25Å; Q258-N265 VanDerWaalsContact OE1-OD1 3.13Å; N265-I267 PolarHBondContact ND2-O 2.74Å; N265-K268 HydrophobicContact CB-CB 4.48Å; N265-K268 HydrophobicContact CB-CD 3.88Å; N265-K268 HydrophobicContact CB-CG 4.17Å; N265-A275 WeakPolarHBondContact CA-O 3.41Å; N265-A275 PolarHBondContact ND2-O 3.43Å; N265-K758 WeakPolarHBondContact OD1-CD 3.48Å; N265-K758 WeakPolarHBondContact OD1-CE 3.35Å; N265-D795 PolarHBondContact ND2-OD2 2.97Å |
| 266 | V | 98 | Very high | 96.5 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -25.4 | 170.1 | -62.3 | 0 | 0 | 0 | 0 | 112 | N264 A275 H303 V439 | N264-V266 PolarHBondContact O-N 2.83Å; V266-A275 HydrophobicContact CG2-CB 3.64Å; V266-A275 WeakPolarHBondContact CG2-O 3.37Å; V266-A275 PolarHBondContact N-O 2.91Å; V266-H303 HydrophobicContact CG2-CB 4.12Å; V266-V439 HydrophobicContact CB-CG1 4.2Å; V266-V439 HydrophobicContact CG2-CG1 4.48Å |
| 267 | I | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.9 | 169.4 | -53.9 | 177.2 | 0 | 0 | 0 | 107.5 | N265 D271 S273 A275 T337 I434 V439 | N265-I267 PolarHBondContact ND2-O 2.74Å; I267-D271 HydrophobicContact CG2-CB 3.52Å; I267-S273 VanDerWaalsContact CG2-O 3.3Å; I267-S273 WeakPolarHBondContact CG2-O 3.42Å; I267-A275 HydrophobicContact CB-CB 4.04Å; I267-A275 HydrophobicContact CD1-CB 4.26Å; I267-A275 HydrophobicContact CG1-CB 4.19Å; I267-A275 PolarHBondContact N-O 3.35Å; I267-A275 VanDerWaalsContact N-O 3.13Å; I267-A275 PolarHBondContact O-N 3.17Å; I267-T337 HydrophobicContact CD1-CG2 3.5Å; I267-I434 HydrophobicContact CD1-CD1 4.29Å; I267-V439 HydrophobicContact CD1-CG1 4.18Å; I267-V439 HydrophobicContact CG1-CG1 3.82Å |
| 268 | K | 96.1 | Very high | 96.5 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | trans | -164 | 140.6 | 171.5 | 54.6 | 175.6 | 167.4 | -179.2 | 0 | 110.6 | Q258 N265 C270 D795 | Q258-K268 HydrophobicContact CG-CD 4.3Å; N265-K268 HydrophobicContact CB-CB 4.48Å; N265-K268 HydrophobicContact CB-CD 3.88Å; N265-K268 HydrophobicContact CB-CG 4.17Å; K268-C270 PolarHBondContact O-N 2.79Å; K268-C270 PolarHBondContact O-SG 2.95Å; K268-C270 VanDerWaalsContact O-SG 3.37Å; K268-D795 HydrophobicContact CB-CB 3.67Å | ||
| 269 | F | 94.2 | Very high | 96.6 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 51.6 | 19.2 | 175.3 | -50 | -65.3 | 0 | 0 | 0 | 116.8 | F251 V254 V255 Q258 V794 D795 | F251-F269 AromaticContact CE2-CD1 3.71Å; F251-F269 HydrophobicContact CE2-CD1 3.71Å; F251-F269 HydrophobicContact CE2-CE1 4.09Å; F251-F269 HydrophobicContact CZ-CB 4.22Å; F251-F269 AromaticContact CZ-CD1 3.83Å; F251-F269 HydrophobicContact CZ-CD1 3.83Å; F251-F269 HydrophobicContact CZ-CG 4.21Å; V254-F269 HydrophobicContact CG1-CE1 4.24Å; V254-F269 HydrophobicContact CG1-CZ 4.3Å; V255-F269 HydrophobicContact CB-CE2 4.25Å; V255-F269 HydrophobicContact CB-CZ 4.42Å; V255-F269 HydrophobicContact CG1-CE2 4.4Å; V255-F269 HydrophobicContact CG2-CD1 4.21Å; V255-F269 HydrophobicContact CG2-CD2 3.95Å; V255-F269 HydrophobicContact CG2-CE1 4.05Å; V255-F269 HydrophobicContact CG2-CE2 3.78Å; V255-F269 HydrophobicContact CG2-CG 4.17Å; V255-F269 HydrophobicContact CG2-CZ 3.82Å; Q258-F269 HydrophobicContact CG-CE2 4.15Å; F269-V794 VanDerWaalsContact CZ-O 3.3Å; F269-V794 WeakPolarHBondContact CZ-O 3.13Å; F269-D795 WeakPolarHBondContact CD1-O 3.42Å; F269-D795 WeakPolarHBondContact CE1-O 3.4Å; F269-D795 PolarHBondContact N-O 2.82Å |
| 270 | C | 91.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 68% | 0.676 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -144.1 | 10.6 | -171.9 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | K268 | K268-C270 PolarHBondContact O-N 2.79Å; K268-C270 PolarHBondContact O-SG 2.95Å; K268-C270 VanDerWaalsContact O-SG 3.37Å |
| 271 | D | 93.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 44 Ų | 44 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -160.9 | 169.3 | -176.9 | -149.3 | -31 | 0 | 0 | 0 | 108.5 | I267 S273 G338 K441 | I267-D271 HydrophobicContact CG2-CB 3.52Å; D271-S273 VanDerWaalsContact C-N 3.3Å; D271-S273 PolarHBondContact O-N 3.49Å; D271-G338 PolarHBondContact OD2-N 3.06Å; D271-K441 WeakPolarHBondContact OD1-CE 3.45Å; D271-K441 IonicContact OD1-NZ 2.74Å; D271-K441 PolarHBondContact OD1-NZ 3.46Å; D271-K441 WeakPolarHBondContact OD2-CE 3.45Å; D271-K441 IonicContact OD2-NZ 3.34Å |
| 272 | N | 92.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -60.1 | -34.1 | -177.5 | -70.4 | 70.8 | 0 | 0 | 0 | 114 | T307 D333 D520 | N272-T307 PolarHBondContact O-OG1 2.63Å; N272-D333 HydrophobicContact CB-CB 4.07Å; N272-D333 WeakPolarHBondContact CB-O 3.46Å; N272-D333 PolarHBondContact ND2-OD1 3.28Å; N272-D520 PolarHBondContact ND2-OD1 3.16Å |
| 273 | S | 96.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -124.8 | 155.7 | 175 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | I267 D271 T307 D333 T337 | I267-S273 VanDerWaalsContact CG2-O 3.3Å; I267-S273 WeakPolarHBondContact CG2-O 3.42Å; D271-S273 VanDerWaalsContact C-N 3.3Å; D271-S273 PolarHBondContact O-N 3.49Å; S273-T307 VanDerWaalsContact OG-CB 3.31Å; S273-T307 WeakPolarHBondContact OG-CB 3.33Å; S273-T307 WeakPolarHBondContact OG-CG2 3.25Å; S273-D333 PolarHBondContact OG-O 2.56Å; S273-T337 WeakPolarHBondContact CB-OG1 3.27Å; S273-T337 PolarHBondContact N-OG1 2.95Å; S273-T337 VanDerWaalsContact N-OG1 3.17Å; S273-T337 PolarHBondContact OG-OG1 2.88Å; S273-T337 VanDerWaalsContact OG-OG1 3.05Å |
| 274 | S | 97.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 154.1 | 168.2 | -73 | 0 | 0 | 0 | 0 | 111.2 | L305 L306 D795 G796 Y823 | S274-L305 CarbonylContact O-C 3.57Å; S274-L305 WeakPolarHBondContact O-CA 3.5Å; S274-L306 PolarHBondContact N-O 2.86Å; S274-L306 PolarHBondContact O-N 3.22Å; S274-D795 VanDerWaalsContact CB-CG 3.44Å; S274-D795 PolarHBondContact OG-O 3.3Å; S274-G796 PolarHBondContact OG-N 3.37Å; S274-Y823 VanDerWaalsContact C-OH 3.27Å; S274-Y823 PolarHBondContact O-OH 2.96Å |
| 275 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 144.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N265 V266 I267 I304 L305 I434 Y823 | N265-A275 WeakPolarHBondContact CA-O 3.41Å; N265-A275 PolarHBondContact ND2-O 3.43Å; V266-A275 HydrophobicContact CG2-CB 3.64Å; V266-A275 WeakPolarHBondContact CG2-O 3.37Å; V266-A275 PolarHBondContact N-O 2.91Å; I267-A275 HydrophobicContact CB-CB 4.04Å; I267-A275 HydrophobicContact CD1-CB 4.26Å; I267-A275 HydrophobicContact CG1-CB 4.19Å; I267-A275 PolarHBondContact N-O 3.35Å; I267-A275 VanDerWaalsContact N-O 3.13Å; I267-A275 PolarHBondContact O-N 3.17Å; A275-I304 CarbonylContact C-O 3.54Å; A275-I304 WeakPolarHBondContact CA-O 3.05Å; A275-I304 WeakPolarHBondContact CB-O 3.43Å; A275-L305 HydrophobicContact CB-CB 4.33Å; A275-I434 HydrophobicContact CB-CG2 4.43Å; A275-Y823 PolarHBondContact N-OH 3.09Å |
| 276 | I | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 158 | 174.1 | 61.8 | 178 | 0 | 0 | 0 | 110.5 | N264 G278 H303 I304 K758 Y823 | N264-I276 CarbonylContact O-C 3.54Å; N264-I276 WeakPolarHBondContact O-CA 3.14Å; I276-G278 PolarHBondContact O-N 3.44Å; I276-H303 WeakPolarHBondContact O-CB 3.5Å; I276-I304 HydrophobicContact CD1-CB 4.42Å; I276-I304 HydrophobicContact CD1-CD1 4.46Å; I276-I304 HydrophobicContact CG1-CB 3.87Å; I276-I304 HydrophobicContact CG1-CG2 4.49Å; I276-I304 PolarHBondContact N-O 3.03Å; I276-I304 PolarHBondContact O-N 2.87Å; I276-K758 HydrophobicContact CG2-CB 4.1Å; I276-K758 HydrophobicContact CG2-CG 3.55Å; I276-Y823 HydrophobicContact CD1-CD2 4.05Å; I276-Y823 HydrophobicContact CD1-CE2 4.02Å; I276-Y823 HydrophobicContact CG1-CD2 4.32Å; I276-Y823 HydrophobicContact CG1-CE2 3.84Å; I276-Y823 HydrophobicContact CG2-CE2 4.3Å |
| 277 | R | 98.3 | Very high | 95.4 | Very high | 150 Ų | 150 | 35.9 Ų | 35.9 | 57% | 0.566 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -52.1 | 132.5 | 169.5 | -179.3 | 174 | -66.5 | 171.2 | 1.6 | 109.8 | N264 Q825 | N264-R277 HydrophobicContact CB-CB 4.49Å; N264-R277 PolarHBondContact O-N 2.88Å; R277-Q825 WeakPolarHBondContact O-CG 3.47Å; R277-Q825 PolarHBondContact O-OE1 3.48Å |
| 278 | G | 97.5 | Very high | 95 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -137 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I276 T302 H303 Q825 | I276-G278 PolarHBondContact O-N 3.44Å; G278-T302 CarbonylContact C-O 3.58Å; G278-T302 VanDerWaalsContact C-O 3.32Å; G278-T302 WeakPolarHBondContact CA-O 3.46Å; G278-H303 PolarHBondContact N-ND1 3.43Å; G278-Q825 PolarHBondContact O-NE2 3.12Å |
| 279 | F | 98.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 157.5 | -168.4 | -60.4 | -90.1 | 0 | 0 | 0 | 112.4 | I281 T302 L708 V714 Q825 C826 T827 | F279-I281 HydrophobicContact CB-CG2 3.98Å; F279-T302 PolarHBondContact N-O 3.39Å; F279-T302 PolarHBondContact O-N 3.2Å; F279-L708 HydrophobicContact CD2-CD1 3.99Å; F279-V714 HydrophobicContact CB-CB 4.44Å; F279-V714 HydrophobicContact CB-CG2 3.79Å; F279-V714 HydrophobicContact CD1-CB 4.13Å; F279-V714 HydrophobicContact CD1-CG1 3.97Å; F279-V714 HydrophobicContact CD1-CG2 4.35Å; F279-V714 HydrophobicContact CD2-CB 3.79Å; F279-V714 HydrophobicContact CD2-CG1 4.5Å; F279-V714 HydrophobicContact CD2-CG2 3.93Å; F279-V714 HydrophobicContact CE1-CB 4.29Å; F279-V714 HydrophobicContact CE1-CG1 4.01Å; F279-V714 HydrophobicContact CE2-CB 3.95Å; F279-V714 HydrophobicContact CG-CB 3.87Å; F279-V714 HydrophobicContact CG-CG1 4.21Å; F279-V714 HydrophobicContact CG-CG2 3.78Å; F279-V714 HydrophobicContact CZ-CB 4.19Å; F279-V714 HydrophobicContact CZ-CG1 4.28Å; F279-Q825 HydrophobicContact CE2-CB 3.78Å; F279-Q825 HydrophobicContact CE2-CG 4.06Å; F279-Q825 HydrophobicContact CZ-CB 3.83Å; F279-Q825 HydrophobicContact CZ-CG 4.34Å; F279-C826 WeakPolarHBondContact CE2-O 3.24Å; F279-C826 WeakPolarHBondContact CZ-O 3.48Å; F279-T827 HydrophobicContact CZ-CG2 4.41Å |
| 280 | Q | 97.9 | Very high | 94.3 | Very high | 108 Ų | 108 | 32.8 Ų | 32.8 | 51% | 0.505 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.7 | 153.7 | -84.7 | -87 | 68 | 0 | 0 | 107.4 | N299 V300 L301 | Q280-N299 VanDerWaalsContact CD-OD1 3.3Å; Q280-N299 PolarHBondContact NE2-OD1 3.19Å; Q280-N299 PolarHBondContact OE1-OD1 2.82Å; Q280-V300 WeakPolarHBondContact CA-O 3.32Å; Q280-V300 PolarHBondContact OE1-O 2.74Å; Q280-L301 HydrophobicContact CG-CD1 4.49Å |
| 281 | I | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.8 | -178 | 61.1 | 163 | 0 | 0 | 0 | 110.9 | F279 A283 N299 V300 T302 L708 D712 V714 | F279-I281 HydrophobicContact CB-CG2 3.98Å; I281-A283 HydrophobicContact CD1-CB 4.27Å; I281-A283 HydrophobicContact CG1-CB 4.49Å; I281-A283 PolarHBondContact O-N 3.29Å; I281-N299 CarbonylContact O-C 3.6Å; I281-N299 WeakPolarHBondContact O-CA 3.06Å; I281-V300 HydrophobicContact CD1-CG2 4.3Å; I281-V300 HydrophobicContact CG1-CG2 3.77Å; I281-V300 WeakPolarHBondContact CG1-O 3.23Å; I281-V300 PolarHBondContact N-O 2.78Å; I281-V300 PolarHBondContact O-N 3.37Å; I281-T302 HydrophobicContact CD1-CG2 4.16Å; I281-T302 VanDerWaalsContact CD1-OG1 3.29Å; I281-T302 WeakPolarHBondContact CD1-OG1 3.45Å; I281-L708 HydrophobicContact CD1-CB 4.14Å; I281-L708 WeakPolarHBondContact CD1-O 3.33Å; I281-L708 HydrophobicContact CG2-CB 4.27Å; I281-D712 WeakPolarHBondContact CB-OD2 3.35Å; I281-V714 HydrophobicContact CG2-CG2 3.71Å |
| 282 | D | 95.3 | Very high | 94.3 | Very high | 49 Ų | 49 | 35 Ų | 35 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 90.7 | 175 | -93.8 | 22.3 | 0 | 0 | 0 | 110.2 | N297 N299 S709 L711 D712 | D282-N297 WeakPolarHBondContact CA-OD1 3.49Å; D282-N297 WeakPolarHBondContact CB-OD1 3.46Å; D282-N297 VanDerWaalsContact CG-ND2 3.33Å; D282-N297 PolarHBondContact OD2-ND2 3.12Å; D282-N299 PolarHBondContact OD1-ND2 2.82Å; D282-S709 PolarHBondContact O-OG 2.85Å; D282-L711 HydrophobicContact CB-CB 4.27Å; D282-L711 HydrophobicContact CB-CD1 4.17Å; D282-D712 PolarHBondContact N-OD2 3.48Å |
| 283 | A | 93.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I281 R285 N297 E298 V300 | I281-A283 HydrophobicContact CD1-CB 4.27Å; I281-A283 HydrophobicContact CG1-CB 4.49Å; I281-A283 PolarHBondContact O-N 3.29Å; A283-R285 HydrophobicContact CB-CG 4.46Å; A283-R285 PolarHBondContact O-N 3.07Å; A283-N297 PolarHBondContact N-OD1 2.83Å; A283-E298 PolarHBondContact N-O 2.98Å; A283-E298 PolarHBondContact O-N 3.22Å; A283-V300 HydrophobicContact CB-CG2 3.41Å; A283-V300 VanDerWaalsContact CB-CG2 3.41Å |
| 284 | L | 92.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.7 | 176.2 | -169.2 | 64.8 | 0 | 0 | 0 | 111.5 | F295 R296 A1064 A1065 Y1068 | L284-F295 HydrophobicContact CD1-CB 3.82Å; L284-F295 HydrophobicContact CG-CB 4.07Å; L284-F295 HydrophobicContact CG-CD1 3.99Å; L284-F295 HydrophobicContact CG-CG 4.39Å; L284-R296 WeakPolarHBondContact CA-O 3.32Å; L284-A1064 HydrophobicContact CD2-CB 4.28Å; L284-A1065 HydrophobicContact CD2-CB 4.22Å; L284-Y1068 HydrophobicContact CD1-CD1 3.81Å; L284-Y1068 HydrophobicContact CD1-CD2 3.58Å; L284-Y1068 HydrophobicContact CD1-CE1 3.85Å; L284-Y1068 HydrophobicContact CD1-CE2 3.6Å; L284-Y1068 HydrophobicContact CD1-CG 3.7Å; L284-Y1068 HydrophobicContact CD2-CD1 4.03Å; L284-Y1068 HydrophobicContact CD2-CD2 4.43Å; L284-Y1068 HydrophobicContact CD2-CG 3.86Å; L284-Y1068 HydrophobicContact CG-CG 4.47Å |
| 285 | R | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.1 | -174.9 | -62.1 | 179.9 | 179.3 | -177.6 | 2.6 | 112.4 | A283 F295 R296 D435 E508 | A283-R285 HydrophobicContact CB-CG 4.46Å; A283-R285 PolarHBondContact O-N 3.07Å; R285-F295 CarbonylContact O-C 3.51Å; R285-F295 WeakPolarHBondContact O-CA 2.94Å; R285-R296 PolarHBondContact N-O 3.08Å; R285-R296 PolarHBondContact O-N 3.08Å; R285-D435 IonicContact CZ-OD2 3.26Å; R285-D435 VanDerWaalsContact CZ-OD2 3.27Å; R285-D435 IonicContact NH1-OD2 3.76Å; R285-D435 PolarHBondContact NH1-OD2 3.07Å; R285-D435 IonicContact NH2-OD2 2.83Å; R285-D435 PolarHBondContact NH2-OD2 2.86Å; R285-E508 HydrophobicContact CG-CG 4.36Å |
| 286 | P | 92.5 | Very high | 93.7 | Very high | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 139.5 | 170.1 | -20 | 32.1 | 0 | 0 | 0 | 111.3 | N288 F295 E508 D1076 | P286-N288 PolarHBondContact O-N 2.72Å; P286-N288 VanDerWaalsContact O-N 3.14Å; P286-F295 HydrophobicContact CG-CD1 4.11Å; P286-F295 HydrophobicContact CG-CE1 3.67Å; P286-F295 HydrophobicContact CG-CZ 3.95Å; P286-E508 WeakPolarHBondContact CD-OE2 3.41Å; P286-D1076 HydrophobicContact CB-CB 4.09Å; P286-D1076 HydrophobicContact CG-CB 4.07Å |
| 287 | G | 89.8 | Confident | 93.3 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -66 | -12 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | S293 F294 | G287-S293 PolarHBondContact N-OG 3.31Å; G287-F294 PolarHBondContact N-O 3.47Å |
| 288 | N | 89.4 | Confident | 93.1 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 24% | 0.235 | 21% | 0.209 | C | C | . | . | trans | -161.1 | 134.8 | 168.4 | -167.5 | -75.1 | 0 | 0 | 0 | 109.9 | P286 A290 R291 S293 | P286-N288 PolarHBondContact O-N 2.72Å; P286-N288 VanDerWaalsContact O-N 3.14Å; N288-A290 WeakPolarHBondContact OD1-CB 3.16Å; N288-A290 PolarHBondContact OD1-N 3.03Å; N288-R291 HydrophobicContact CB-CG 4.25Å; N288-R291 VanDerWaalsContact O-O 3.05Å; N288-S293 PolarHBondContact N-OG 3.48Å; N288-S293 PolarHBondContact O-OG 2.82Å | ||
| 289 | G | 86.4 | Confident | 93 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83.5 | -17.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R585 | G289-R585 PolarHBondContact O-NH1 3.09Š|
| 290 | A | 89.2 | Confident | 92.8 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -90.6 | -0.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N288 I582 | N288-A290 WeakPolarHBondContact OD1-CB 3.16Å; N288-A290 PolarHBondContact OD1-N 3.03Å; A290-I582 HydrophobicContact CB-CD1 4.46Å; A290-I582 HydrophobicContact CB-CG1 3.66Å |
| 291 | R | 92.1 | Very high | 92.8 | Very high | 164 Ų | 164 | 41.5 Ų | 41.5 | 62% | 0.619 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -161.7 | 161.3 | 179.1 | 61.2 | -179.2 | 179.6 | -169.3 | -1.8 | 110.6 | N288 S293 | N288-R291 HydrophobicContact CB-CG 4.25Å; N288-R291 VanDerWaalsContact O-O 3.05Å; R291-S293 PolarHBondContact O-N 2.78Å |
| 292 | S | 92.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | trans | -49.1 | 132.3 | 170.5 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | D1076 D1081 F1087 | S292-D1076 WeakPolarHBondContact CA-O 3.46Å; S292-D1076 WeakPolarHBondContact CB-O 3.47Å; S292-D1081 WeakPolarHBondContact CB-OD2 3.39Å; S292-D1081 PolarHBondContact N-OD1 2.99Å; S292-D1081 PolarHBondContact N-OD2 3.26Å; S292-F1087 WeakPolarHBondContact OG-CD2 2.95Å; S292-F1087 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 293 | S | 94.2 | Very high | 93 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 154.6 | -176.6 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | G287 N288 R291 W1075 D1076 | G287-S293 PolarHBondContact N-OG 3.31Å; N288-S293 PolarHBondContact N-OG 3.48Å; N288-S293 PolarHBondContact O-OG 2.82Å; R291-S293 PolarHBondContact O-N 2.78Å; S293-W1075 WeakPolarHBondContact O-CA 3.15Å; S293-D1076 PolarHBondContact N-O 3.18Å; S293-D1076 PolarHBondContact O-N 3Å |
| 294 | F | 92.5 | Very high | 93.2 | Very high | 70 Ų | 70 | 39.2 Ų | 39.2 | 31% | 0.307 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 144.1 | 175.7 | 69.3 | -88.5 | 0 | 0 | 0 | 112.8 | G287 R296 E1073 V1074 W1075 | G287-F294 PolarHBondContact N-O 3.47Å; F294-R296 HydrophobicContact CD2-CG 3.81Å; F294-R296 HydrophobicContact CE2-CG 3.6Å; F294-R296 VanDerWaalsContact CE2-NE 3.3Å; F294-R296 HydrophobicContact CZ-CG 4.45Å; F294-R296 VanDerWaalsContact CZ-NE 3.3Å; F294-E1073 HydrophobicContact CB-CG 4.06Å; F294-E1073 HydrophobicContact CD2-CG 4.46Å; F294-E1073 HydrophobicContact CG-CG 4.38Å; F294-V1074 CarbonylContact C-O 3.59Å; F294-V1074 VanDerWaalsContact CA-O 3.24Å; F294-V1074 WeakPolarHBondContact CA-O 3.43Å; F294-W1075 HydrophobicContact CB-CD2 4.15Å; F294-W1075 HydrophobicContact CB-CG 4.17Å; F294-W1075 HydrophobicContact CB-CZ2 4.34Å; F294-W1075 HydrophobicContact CD1-CZ2 4.14Å |
| 295 | F | 93.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.9 | 172.3 | -76.7 | -93.2 | 0 | 0 | 0 | 111.1 | L284 R285 P286 A1064 V1074 D1076 | L284-F295 HydrophobicContact CD1-CB 3.82Å; L284-F295 HydrophobicContact CG-CB 4.07Å; L284-F295 HydrophobicContact CG-CD1 3.99Å; L284-F295 HydrophobicContact CG-CG 4.39Å; R285-F295 CarbonylContact O-C 3.51Å; R285-F295 WeakPolarHBondContact O-CA 2.94Å; P286-F295 HydrophobicContact CG-CD1 4.11Å; P286-F295 HydrophobicContact CG-CE1 3.67Å; P286-F295 HydrophobicContact CG-CZ 3.95Å; F295-A1064 HydrophobicContact CD1-CB 4.15Å; F295-A1064 HydrophobicContact CD2-CB 3.95Å; F295-A1064 HydrophobicContact CE1-CB 3.9Å; F295-A1064 HydrophobicContact CE2-CB 3.69Å; F295-A1064 HydrophobicContact CG-CB 4.17Å; F295-A1064 HydrophobicContact CZ-CB 3.66Å; F295-V1074 HydrophobicContact CD2-CB 4.19Å; F295-V1074 HydrophobicContact CD2-CG1 4.04Å; F295-V1074 HydrophobicContact CE2-CG1 4.39Å; F295-V1074 PolarHBondContact N-O 2.92Å; F295-D1076 HydrophobicContact CE2-CB 3.8Å; F295-D1076 HydrophobicContact CZ-CB 4.16Å |
| 296 | R | 91.8 | Very high | 93.7 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145 | 178.7 | -62.8 | 177.5 | -178.2 | -179.6 | -0.5 | 109.2 | L284 R285 F294 | L284-R296 WeakPolarHBondContact CA-O 3.32Å; R285-R296 PolarHBondContact N-O 3.08Å; R285-R296 PolarHBondContact O-N 3.08Å; F294-R296 HydrophobicContact CD2-CG 3.81Å; F294-R296 HydrophobicContact CE2-CG 3.6Å; F294-R296 VanDerWaalsContact CE2-NE 3.3Å; F294-R296 HydrophobicContact CZ-CG 4.45Å; F294-R296 VanDerWaalsContact CZ-NE 3.3Å |
| 297 | N | 91.5 | Very high | 94 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.4 | 162.9 | 179.2 | 19.8 | 0 | 0 | 0 | 109 | D282 A283 Y1068 | D282-N297 WeakPolarHBondContact CA-OD1 3.49Å; D282-N297 WeakPolarHBondContact CB-OD1 3.46Å; D282-N297 VanDerWaalsContact CG-ND2 3.33Å; D282-N297 PolarHBondContact OD2-ND2 3.12Å; A283-N297 PolarHBondContact N-OD1 2.83Å; N297-Y1068 VanDerWaalsContact CB-OH 3.25Å; N297-Y1068 WeakPolarHBondContact CB-OH 3.45Å |
| 298 | E | 92.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.2 | 168.6 | -71.1 | -166.5 | -169 | 0 | 0 | 110.2 | A283 V300 R510 | A283-E298 PolarHBondContact N-O 2.98Å; A283-E298 PolarHBondContact O-N 3.22Å; E298-V300 HydrophobicContact CB-CG1 3.85Å; E298-V300 WeakPolarHBondContact O-CG1 3.39Å; E298-V300 PolarHBondContact O-N 3.02Å; E298-R510 VanDerWaalsContact OE2-CD 3.22Å; E298-R510 WeakPolarHBondContact OE2-CD 3.37Å; E298-R510 IonicContact OE2-CZ 3.57Å; E298-R510 IonicContact OE2-NE 2.64Å; E298-R510 IonicContact OE2-NH1 3.72Å; E298-R510 PolarHBondContact OE2-NH1 2.76Å |
| 299 | N | 95 | Very high | 94.5 | Very high | 83 Ų | 83 | 35.9 Ų | 35.9 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 116.5 | 169.7 | -167.6 | -106.7 | 0 | 0 | 0 | 109.4 | Q280 I281 D282 | Q280-N299 VanDerWaalsContact CD-OD1 3.3Å; Q280-N299 PolarHBondContact NE2-OD1 3.19Å; Q280-N299 PolarHBondContact OE1-OD1 2.82Å; I281-N299 CarbonylContact O-C 3.6Å; I281-N299 WeakPolarHBondContact O-CA 3.06Å; D282-N299 PolarHBondContact OD1-ND2 2.82Å |
| 300 | V | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.8 | -171.1 | -57 | 0 | 0 | 0 | 0 | 112.2 | Q280 I281 A283 E298 T302 | Q280-V300 WeakPolarHBondContact CA-O 3.32Å; Q280-V300 PolarHBondContact OE1-O 2.74Å; I281-V300 HydrophobicContact CD1-CG2 4.3Å; I281-V300 HydrophobicContact CG1-CG2 3.77Å; I281-V300 WeakPolarHBondContact CG1-O 3.23Å; I281-V300 PolarHBondContact N-O 2.78Å; I281-V300 PolarHBondContact O-N 3.37Å; A283-V300 HydrophobicContact CB-CG2 3.41Å; A283-V300 VanDerWaalsContact CB-CG2 3.41Å; E298-V300 HydrophobicContact CB-CG1 3.85Å; E298-V300 WeakPolarHBondContact O-CG1 3.39Å; E298-V300 PolarHBondContact O-N 3.02Å; V300-T302 PolarHBondContact O-N 3.27Å |
| 301 | L | 97.5 | Very high | 95.2 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 38% | 0.377 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 109.3 | 172.5 | 178 | 58.2 | 0 | 0 | 0 | 107.9 | Q280 H303 G436 | Q280-L301 HydrophobicContact CG-CD1 4.49Å; L301-H303 VanDerWaalsContact CG-CE1 3.41Å; L301-H303 WeakPolarHBondContact CG-CE1 3.16Å; L301-G436 PolarHBondContact O-N 2.97Å |
| 302 | T | 97.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.2 | 179.9 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | G278 F279 I281 V300 L708 | G278-T302 CarbonylContact C-O 3.58Å; G278-T302 VanDerWaalsContact C-O 3.32Å; G278-T302 WeakPolarHBondContact CA-O 3.46Å; F279-T302 PolarHBondContact N-O 3.39Å; F279-T302 PolarHBondContact O-N 3.2Å; I281-T302 HydrophobicContact CD1-CG2 4.16Å; I281-T302 VanDerWaalsContact CD1-OG1 3.29Å; I281-T302 WeakPolarHBondContact CD1-OG1 3.45Å; V300-T302 PolarHBondContact O-N 3.27Å; T302-L708 HydrophobicContact CG2-CD1 4.41Å; T302-L708 HydrophobicContact CG2-CD2 4.48Å |
| 303 | H | 98.6 | Very high | 95 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.06 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 152.3 | 179.5 | -67.9 | -15.4 | 0 | 0 | 0 | 110.4 | V266 I276 G278 L301 S433 I434 | V266-H303 HydrophobicContact CG2-CB 4.12Å; I276-H303 WeakPolarHBondContact O-CB 3.5Å; G278-H303 PolarHBondContact N-ND1 3.43Å; L301-H303 VanDerWaalsContact CG-CE1 3.41Å; L301-H303 WeakPolarHBondContact CG-CE1 3.16Å; H303-S433 CarbonylContact O-C 3.51Å; H303-S433 WeakPolarHBondContact O-CA 3.31Å; H303-S433 VanDerWaalsContact O-CB 3.27Å; H303-S433 WeakPolarHBondContact O-CB 3.33Å; H303-I434 HydrophobicContact CB-CG2 3.79Å; H303-I434 PolarHBondContact N-O 2.97Å; H303-I434 PolarHBondContact O-N 2.93Å |
| 304 | I | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 133.1 | -175.8 | -55.8 | 169.2 | 0 | 0 | 0 | 108 | A275 I276 L431 L708 A716 Y823 Q825 | A275-I304 CarbonylContact C-O 3.54Å; A275-I304 WeakPolarHBondContact CA-O 3.05Å; A275-I304 WeakPolarHBondContact CB-O 3.43Å; I276-I304 HydrophobicContact CD1-CB 4.42Å; I276-I304 HydrophobicContact CD1-CD1 4.46Å; I276-I304 HydrophobicContact CG1-CB 3.87Å; I276-I304 HydrophobicContact CG1-CG2 4.49Å; I276-I304 PolarHBondContact N-O 3.03Å; I276-I304 PolarHBondContact O-N 2.87Å; I304-L431 HydrophobicContact CG2-CD1 4.02Å; I304-L708 HydrophobicContact CD1-CD1 4.5Å; I304-L708 HydrophobicContact CG1-CD1 4.03Å; I304-L708 HydrophobicContact CG1-CD2 4.36Å; I304-A716 HydrophobicContact CB-CB 4.39Å; I304-A716 HydrophobicContact CD1-CB 3.79Å; I304-A716 HydrophobicContact CG1-CB 4Å; I304-A716 HydrophobicContact CG2-CB 3.49Å; I304-A716 VanDerWaalsContact CG2-CB 3.49Å; I304-Y823 HydrophobicContact CG2-CD2 3.85Å; I304-Y823 HydrophobicContact CG2-CE2 4.2Å; I304-Q825 HydrophobicContact CD1-CB 4.2Å; I304-Q825 HydrophobicContact CD1-CG 3.76Å |
| 305 | L | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.3 | -175.4 | 174.1 | 163.4 | 0 | 0 | 0 | 110.2 | S274 A275 V334 T337 A341 G432 | S274-L305 CarbonylContact O-C 3.57Å; S274-L305 WeakPolarHBondContact O-CA 3.5Å; A275-L305 HydrophobicContact CB-CB 4.33Å; L305-V334 HydrophobicContact CD1-CG1 4.45Å; L305-V334 HydrophobicContact CD2-CB 4.17Å; L305-V334 HydrophobicContact CD2-CG1 3.81Å; L305-V334 HydrophobicContact CD2-CG2 3.88Å; L305-T337 HydrophobicContact CD1-CG2 3.72Å; L305-A341 HydrophobicContact CD1-CB 3.94Å; L305-G432 PolarHBondContact N-O 3.19Å; L305-G432 PolarHBondContact O-N 2.93Å |
| 306 | L | 98.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.9 | 168.9 | -171.3 | 78.3 | 0 | 0 | 0 | 110.6 | S274 A429 G430 L431 M718 T821 Y823 | S274-L306 PolarHBondContact N-O 2.86Å; S274-L306 PolarHBondContact O-N 3.22Å; L306-A429 HydrophobicContact CD1-CB 4.49Å; L306-G430 WeakPolarHBondContact CA-O 3.43Å; L306-L431 HydrophobicContact CD1-CD1 4.3Å; L306-M718 HydrophobicContact CD1-CG 4.47Å; L306-M718 HydrophobicContact CD1-SD 3.64Å; L306-T821 HydrophobicContact CD1-CG2 4.13Å; L306-T821 HydrophobicContact CD2-CG2 3.84Å; L306-Y823 HydrophobicContact CB-CD1 3.73Å; L306-Y823 HydrophobicContact CB-CD2 3.7Å; L306-Y823 HydrophobicContact CB-CE1 3.7Å; L306-Y823 HydrophobicContact CB-CE2 3.64Å; L306-Y823 HydrophobicContact CB-CG 3.72Å; L306-Y823 HydrophobicContact CD2-CD1 3.45Å; L306-Y823 VanDerWaalsContact CD2-CD1 3.45Å; L306-Y823 HydrophobicContact CD2-CE1 3.95Å; L306-Y823 HydrophobicContact CD2-CG 3.87Å; L306-Y823 HydrophobicContact CG-CD1 4.17Å; L306-Y823 HydrophobicContact CG-CE1 4.47Å; L306-Y823 HydrophobicContact CG-CG 4.27Å |
| 307 | T | 97.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 20.5 Ų | 20.5 | 8% | 0.08 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.2 | 159.2 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | N272 S273 R330 D333 V334 A429 G430 | N272-T307 PolarHBondContact O-OG1 2.63Å; S273-T307 VanDerWaalsContact OG-CB 3.31Å; S273-T307 WeakPolarHBondContact OG-CB 3.33Å; S273-T307 WeakPolarHBondContact OG-CG2 3.25Å; T307-R330 HydrophobicContact CG2-CG 4.1Å; T307-D333 HydrophobicContact CG2-CB 3.88Å; T307-V334 HydrophobicContact CG2-CG2 3.69Å; T307-A429 CarbonylContact O-C 3.56Å; T307-A429 VanDerWaalsContact O-CA 3.3Å; T307-A429 WeakPolarHBondContact O-CA 3.45Å; T307-G430 PolarHBondContact N-O 2.79Å; T307-G430 PolarHBondContact O-N 3.38Å |
| 308 | A | 97.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 131.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F427 T428 A429 N762 | A308-F427 HydrophobicContact CB-CE2 3.8Å; A308-F427 HydrophobicContact CB-CZ 3.8Å; A308-T428 CarbonylContact C-O 3.53Å; A308-T428 VanDerWaalsContact CA-O 3.29Å; A308-T428 WeakPolarHBondContact CA-O 3.2Å; A308-A429 HydrophobicContact CB-CB 3.8Å; A308-N762 WeakPolarHBondContact CB-OD1 3.48Å; A308-N762 PolarHBondContact O-ND2 2.59Å |
| 309 | E | 93.9 | Very high | 94 | Very high | 26 Ų | 26 | 15.8 Ų | 15.8 | 12% | 0.121 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 163.4 | -169.2 | -82.8 | -62.6 | 125.3 | 0 | 0 | 112 | R330 T428 K798 | E309-R330 HydrophobicContact CB-CB 3.87Å; E309-R330 HydrophobicContact CB-CG 3.78Å; E309-R330 HydrophobicContact CG-CB 3.66Å; E309-R330 HydrophobicContact CG-CG 3.64Å; E309-T428 HydrophobicContact CB-CG2 4.21Å; E309-T428 PolarHBondContact N-O 2.87Å; E309-T428 PolarHBondContact O-N 3.17Å; E309-K798 WeakPolarHBondContact OE1-CD 3.08Å; E309-K798 WeakPolarHBondContact OE1-CE 3.26Å; E309-K798 IonicContact OE1-NZ 3.84Å; E309-K798 PolarHBondContact OE1-NZ 3.23Å; E309-K798 IonicContact OE2-NZ 2.66Å; E309-K798 PolarHBondContact OE2-NZ 3.16Å |
| 310 | T | 95.2 | Very high | 93.8 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.2 | 167.3 | 68.9 | 0 | 0 | 0 | 0 | 113 | N312 M426 F427 M764 | T310-N312 PolarHBondContact OG1-ND2 3.42Å; T310-M426 CarbonylContact C-O 3.54Å; T310-M426 WeakPolarHBondContact CA-O 3.29Å; T310-M426 WeakPolarHBondContact CB-O 3.44Å; T310-F427 HydrophobicContact CG2-CB 4.31Å; T310-F427 HydrophobicContact CG2-CD2 3.97Å; T310-M764 HydrophobicContact CG2-CG 4.4Å; T310-M764 HydrophobicContact CG2-SD 3.67Å |
| 311 | H | 93.6 | Very high | 93.4 | Very high | 35 Ų | 35 | 15.3 Ų | 15.3 | 16% | 0.162 | 8% | 0.081 | C | C | . | . | trans | -124.8 | 44.1 | -172.6 | -151.3 | -81.7 | 0 | 0 | 0 | 112.6 | P314 T315 G322 T325 G326 M426 | H311-P314 VanDerWaalsContact CE1-CG 3.5Å; H311-P314 WeakPolarHBondContact CE1-CG 3.19Å; H311-T315 WeakPolarHBondContact O-CB 3.41Å; H311-T315 PolarHBondContact O-N 3.49Å; H311-T315 PolarHBondContact O-OG1 2.84Å; H311-G322 PolarHBondContact CE1-O 3.25Å; H311-G322 VanDerWaalsContact CG-O 3.22Å; H311-G322 PolarHBondContact ND1-O 2.95Å; H311-T325 PolarHBondContact CE1-OG1 3.11Å; H311-T325 PolarHBondContact NE2-OG1 3.33Å; H311-G326 PolarHBondContact CD2-N 3.14Å; H311-M426 HydrophobicContact CB-SD 4.12Å; H311-M426 PolarHBondContact N-O 3.43Å | ||
| 312 | N | 93.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 11.9 Ų | 11.9 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61 | -51.6 | -161.8 | -58.9 | -26.5 | 0 | 0 | 0 | 114.8 | T310 G316 P424 I425 M426 S800 M803 | T310-N312 PolarHBondContact OG1-ND2 3.42Å; N312-G316 PolarHBondContact O-N 3.47Å; N312-G316 VanDerWaalsContact O-N 3.15Å; N312-P424 VanDerWaalsContact CB-O 3.3Å; N312-P424 WeakPolarHBondContact CB-O 3.5Å; N312-I425 VanDerWaalsContact OD1-CA 3.32Å; N312-I425 WeakPolarHBondContact OD1-CA 3.38Å; N312-M426 PolarHBondContact OD1-N 2.62Å; N312-M426 PolarHBondContact OD1-O 2.73Å; N312-S800 WeakPolarHBondContact ND2-CB 3.34Å; N312-S800 PolarHBondContact ND2-OG 3.05Å; N312-S800 VanDerWaalsContact ND2-OG 3.14Å; N312-M803 HydrophobicContact CB-CE 4.33Å; N312-M803 HydrophobicContact CB-SD 4.14Å |
| 313 | F | 88.7 | Confident | 93 | Very high | 11 Ų | 11 | 11.7 Ų | 11.7 | 5% | 0.048 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.6 | -53 | -173.9 | 166.7 | -110.3 | 0 | 0 | 0 | 113.1 | T315 G316 V317 F375 A467 Q473 E484 A487 | F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 2.75Å; F313-G316 WeakPolarHBondContact O-CA 3.38Å; F313-G316 PolarHBondContact O-N 2.91Å; F313-V317 HydrophobicContact CD2-CG2 4.38Å; F313-V317 HydrophobicContact CE2-CG2 3.85Å; F313-V317 HydrophobicContact CZ-CG2 4.01Å; F313-V317 PolarHBondContact O-N 2.98Å; F313-F375 AromaticContact CD2-CE1 3.97Å; F313-F375 HydrophobicContact CD2-CE1 3.97Å; F313-F375 HydrophobicContact CD2-CZ 4.06Å; F313-F375 AromaticContact CE2-CE1 3.95Å; F313-F375 HydrophobicContact CE2-CE1 3.95Å; F313-F375 HydrophobicContact CE2-CZ 4.32Å; F313-A467 HydrophobicContact CD1-CB 4.5Å; F313-A467 HydrophobicContact CE1-CB 3.84Å; F313-A467 HydrophobicContact CZ-CB 4.45Å; F313-Q473 HydrophobicContact CD2-CG 3.99Å; F313-Q473 HydrophobicContact CE2-CG 4.29Å; F313-E484 WeakPolarHBondContact CZ-OE2 3.41Å; F313-A487 HydrophobicContact CE1-CB 3.66Å; F313-A487 HydrophobicContact CZ-CB 4.01Å |
| 314 | P | 88.5 | Confident | 92.7 | Very high | 20 Ų | 20 | 11.3 Ų | 11.3 | 13% | 0.13 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.6 | -31.1 | 178.9 | -24.9 | 37.3 | 0 | 0 | 0 | 113.1 | H311 G316 V317 C318 Q489 | H311-P314 VanDerWaalsContact CE1-CG 3.5Å; H311-P314 WeakPolarHBondContact CE1-CG 3.19Å; P314-G316 VanDerWaalsContact C-N 3.28Å; P314-G316 PolarHBondContact O-N 2.79Å; P314-V317 PolarHBondContact O-N 2.76Å; P314-C318 CarbonylContact O-C 3.53Å; P314-C318 PolarHBondContact O-N 3.05Å; P314-Q489 HydrophobicContact CB-CG 4.42Å |
| 315 | T | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -68.4 | -27.6 | 173.9 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | H311 F313 P319 G322 A323 A385 M426 | H311-T315 WeakPolarHBondContact O-CB 3.41Å; H311-T315 PolarHBondContact O-N 3.49Å; H311-T315 PolarHBondContact O-OG1 2.84Å; F313-T315 VanDerWaalsContact C-N 3.26Å; F313-T315 PolarHBondContact O-N 2.75Å; T315-P319 HydrophobicContact CG2-CB 4.2Å; T315-P319 VanDerWaalsContact O-CA 3.27Å; T315-P319 WeakPolarHBondContact O-CA 3.33Å; T315-P319 WeakPolarHBondContact O-CG 3.37Å; T315-G322 VanDerWaalsContact OG1-C 3.29Å; T315-A323 HydrophobicContact CG2-CB 4.36Å; T315-A323 PolarHBondContact OG1-N 3.37Å; T315-A385 HydrophobicContact CG2-CB 3.58Å; T315-M426 HydrophobicContact CG2-CB 3.94Å; T315-M426 HydrophobicContact CG2-CG 4.28Å |
| 316 | G | 90.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N312 F313 P314 F375 A376 | N312-G316 PolarHBondContact O-N 3.47Å; N312-G316 VanDerWaalsContact O-N 3.15Å; F313-G316 WeakPolarHBondContact O-CA 3.38Å; F313-G316 PolarHBondContact O-N 2.91Å; P314-G316 VanDerWaalsContact C-N 3.28Å; P314-G316 PolarHBondContact O-N 2.79Å; G316-F375 VanDerWaalsContact C-CD1 3.47Å; G316-F375 CarbonylContact O-C 3.54Å; G316-F375 WeakPolarHBondContact O-CA 3.04Å; G316-F375 WeakPolarHBondContact O-CB 3.37Å; G316-A376 PolarHBondContact O-N 3.07Å |
| 317 | V | 85.3 | Confident | 92.2 | Very high | 9 Ų | 9 | 11.6 Ų | 11.6 | 6% | 0.055 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.6 | -52.7 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | M150 F313 P314 F375 E484 A487 | M150-V317 HydrophobicContact CE-CG1 3.78Å; M150-V317 HydrophobicContact SD-CG1 4.41Å; F313-V317 HydrophobicContact CD2-CG2 4.38Å; F313-V317 HydrophobicContact CE2-CG2 3.85Å; F313-V317 HydrophobicContact CZ-CG2 4.01Å; F313-V317 PolarHBondContact O-N 2.98Å; P314-V317 PolarHBondContact O-N 2.76Å; V317-F375 HydrophobicContact CG2-CD1 3.89Å; V317-F375 HydrophobicContact CG2-CE1 3.75Å; V317-E484 HydrophobicContact CG1-CB 4.43Å; V317-A487 HydrophobicContact CG1-CB 4.5Å; V317-A487 HydrophobicContact CG2-CB 4.28Å |
| 318 | C | 86.8 | Confident | 92.1 | Very high | 13 Ų | 13 | 11 Ų | 11 | 9% | 0.088 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -139.4 | 100 | 175.4 | -166.3 | 0 | 0 | 0 | 0 | 110.4 | M150 P314 F320 P321 G322 | M150-C318 HydrophobicContact CB-CB 4.45Å; M150-C318 HydrophobicContact CG-CB 4.17Å; P314-C318 CarbonylContact O-C 3.53Å; P314-C318 PolarHBondContact O-N 3.05Å; C318-F320 PolarHBondContact O-N 3.43Å; C318-P321 HydrophobicContact CB-CG 3.79Å; C318-P321 WeakPolarHBondContact O-CD 3.32Å; C318-P321 WeakPolarHBondContact O-CG 3.27Å; C318-P321 WeakPolarHBondContact SG-CD 3.49Å; C318-P321 VanDerWaalsContact SG-CG 3.53Å; C318-G322 PolarHBondContact O-N 3Å; C318-G322 VanDerWaalsContact O-N 3.15Å |
| 319 | P | 90.8 | Very high | 92 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | -165.4 | -24.8 | 31.1 | 0 | 0 | 0 | 115.7 | T315 A323 A376 V381 E384 A385 | T315-P319 HydrophobicContact CG2-CB 4.2Å; T315-P319 VanDerWaalsContact O-CA 3.27Å; T315-P319 WeakPolarHBondContact O-CA 3.33Å; T315-P319 WeakPolarHBondContact O-CG 3.37Å; P319-A323 VanDerWaalsContact O-CB 3.3Å; P319-A323 WeakPolarHBondContact O-CB 3.31Å; P319-A323 PolarHBondContact O-N 2.9Å; P319-A376 HydrophobicContact CG-CB 3.64Å; P319-V381 HydrophobicContact CG-CB 4.45Å; P319-V381 HydrophobicContact CG-CG2 4.07Å; P319-E384 HydrophobicContact CB-CB 4.01Å; P319-A385 HydrophobicContact CB-CB 4.1Å |
| 320 | F | 91.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 10.4 Ų | 10.4 | 25% | 0.246 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.2 | -60.6 | -177.6 | -174 | -75.9 | 0 | 0 | 0 | 112.7 | C318 G322 A323 A324 E384 N387 G388 D391 | C318-F320 PolarHBondContact O-N 3.43Å; F320-G322 VanDerWaalsContact C-N 3.33Å; F320-G322 PolarHBondContact O-N 3.31Å; F320-A323 PolarHBondContact O-N 3.4Å; F320-A324 VanDerWaalsContact O-CB 3.3Å; F320-A324 WeakPolarHBondContact O-CB 3.08Å; F320-A324 PolarHBondContact O-N 3.38Å; F320-E384 WeakPolarHBondContact CA-O 3.48Å; F320-E384 HydrophobicContact CB-CB 4.31Å; F320-N387 HydrophobicContact CD2-CB 3.75Å; F320-N387 HydrophobicContact CE2-CB 3.84Å; F320-G388 WeakPolarHBondContact O-CA 2.97Å; F320-D391 HydrophobicContact CE2-CB 4.21Å; F320-D391 HydrophobicContact CZ-CB 3.81Å |
| 321 | P | 88.2 | Confident | 92.3 | Very high | 18 Ų | 18 | 9.7 Ų | 9.7 | 12% | 0.117 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 179.4 | 25.2 | -34 | 0 | 0 | 0 | 112.2 | C318 A324 T325 Q489 | C318-P321 HydrophobicContact CB-CG 3.79Å; C318-P321 WeakPolarHBondContact O-CD 3.32Å; C318-P321 WeakPolarHBondContact O-CG 3.27Å; C318-P321 WeakPolarHBondContact SG-CD 3.49Å; C318-P321 VanDerWaalsContact SG-CG 3.53Å; P321-A324 PolarHBondContact O-N 2.95Å; P321-T325 PolarHBondContact O-N 3.44Å; P321-T325 PolarHBondContact O-OG1 2.97Å; P321-Q489 HydrophobicContact CB-CB 4.34Å; P321-Q489 VanDerWaalsContact CB-O 3.23Å; P321-Q489 WeakPolarHBondContact CB-O 3Å |
| 322 | G | 90.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | H311 T315 C318 F320 G326 | H311-G322 PolarHBondContact CE1-O 3.25Å; H311-G322 VanDerWaalsContact CG-O 3.22Å; H311-G322 PolarHBondContact ND1-O 2.95Å; T315-G322 VanDerWaalsContact OG1-C 3.29Å; C318-G322 PolarHBondContact O-N 3Å; C318-G322 VanDerWaalsContact O-N 3.15Å; F320-G322 VanDerWaalsContact C-N 3.33Å; F320-G322 PolarHBondContact O-N 3.31Å; G322-G326 PolarHBondContact O-N 3.07Å; G322-G326 VanDerWaalsContact O-N 3.1Å |
| 323 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -71.4 | -34.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | T315 P319 F320 G326 V327 A385 A389 M426 | T315-A323 HydrophobicContact CG2-CB 4.36Å; T315-A323 PolarHBondContact OG1-N 3.37Å; P319-A323 VanDerWaalsContact O-CB 3.3Å; P319-A323 WeakPolarHBondContact O-CB 3.31Å; P319-A323 PolarHBondContact O-N 2.9Å; F320-A323 PolarHBondContact O-N 3.4Å; A323-G326 PolarHBondContact O-N 2.96Å; A323-V327 PolarHBondContact O-N 3.43Å; A323-V327 VanDerWaalsContact O-N 3.12Å; A323-A385 HydrophobicContact CB-CB 3.82Å; A323-A385 WeakPolarHBondContact CB-O 3.28Å; A323-A389 HydrophobicContact CB-CB 4.4Å; A323-M426 HydrophobicContact CB-CE 4.08Å; A323-M426 HydrophobicContact CB-CG 3.89Å; A323-M426 HydrophobicContact CB-SD 4.45Å |
| 324 | A | 93.4 | Very high | 93 | Very high | 6 Ų | 6 | 8 Ų | 8 | 5% | 0.05 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F320 P321 G326 V327 G328 Y392 | F320-A324 VanDerWaalsContact O-CB 3.3Å; F320-A324 WeakPolarHBondContact O-CB 3.08Å; F320-A324 PolarHBondContact O-N 3.38Å; P321-A324 PolarHBondContact O-N 2.95Å; A324-G326 VanDerWaalsContact C-N 3.34Å; A324-V327 PolarHBondContact O-N 2.78Å; A324-G328 PolarHBondContact O-N 3.04Å; A324-Y392 HydrophobicContact CB-CD2 3.96Å; A324-Y392 HydrophobicContact CB-CG 4.49Å; A324-Y392 WeakPolarHBondContact O-CD2 3.18Å |
| 325 | T | 92.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.012 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -74.9 | -23.7 | 176.8 | 59 | 0 | 0 | 0 | 0 | 113.3 | H311 P321 V327 G328 G329 Q489 Q564 | H311-T325 PolarHBondContact CE1-OG1 3.11Å; H311-T325 PolarHBondContact NE2-OG1 3.33Å; P321-T325 PolarHBondContact O-N 3.44Å; P321-T325 PolarHBondContact O-OG1 2.97Å; T325-V327 VanDerWaalsContact C-N 3.33Å; T325-G328 PolarHBondContact O-N 3.13Å; T325-G329 PolarHBondContact O-N 3.24Å; T325-Q489 HydrophobicContact CG2-CB 3.78Å; T325-Q489 HydrophobicContact CG2-CG 4.48Å; T325-Q489 WeakPolarHBondContact OG1-CB 3.13Å; T325-Q564 HydrophobicContact CG2-CG 3.73Å |
| 326 | G | 94.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H311 G322 A323 A324 R330 T428 | H311-G326 PolarHBondContact CD2-N 3.14Å; G322-G326 PolarHBondContact O-N 3.07Å; G322-G326 VanDerWaalsContact O-N 3.1Å; A323-G326 PolarHBondContact O-N 2.96Å; A324-G326 VanDerWaalsContact C-N 3.34Å; G326-R330 WeakPolarHBondContact O-CB 3.38Å; G326-T428 WeakPolarHBondContact O-CG2 3.07Å |
| 327 | V | 96.9 | Very high | 94 | Very high | 4 Ų | 4 | 7 Ų | 7 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.3 | -46.1 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A323 A324 T325 R330 I331 A389 Y392 M426 T428 | A323-V327 PolarHBondContact O-N 3.43Å; A323-V327 VanDerWaalsContact O-N 3.12Å; A324-V327 PolarHBondContact O-N 2.78Å; T325-V327 VanDerWaalsContact C-N 3.33Å; V327-R330 PolarHBondContact O-N 2.87Å; V327-I331 HydrophobicContact CG1-CD1 3.8Å; V327-I331 HydrophobicContact CG1-CG1 4.44Å; V327-I331 WeakPolarHBondContact O-CG1 3.49Å; V327-I331 PolarHBondContact O-N 3.48Å; V327-A389 HydrophobicContact CG2-CB 3.74Å; V327-Y392 HydrophobicContact CB-CD1 4.24Å; V327-Y392 HydrophobicContact CG1-CD1 3.8Å; V327-Y392 HydrophobicContact CG1-CG 4.42Å; V327-M426 HydrophobicContact CG2-CE 4.03Å; V327-T428 HydrophobicContact CG2-CG2 4.49Å |
| 328 | G | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.8 | -50.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A324 T325 R330 I331 R332 Y392 | A324-G328 PolarHBondContact O-N 3.04Å; T325-G328 PolarHBondContact O-N 3.13Å; G328-R330 VanDerWaalsContact C-N 3.29Å; G328-R330 PolarHBondContact O-N 2.89Å; G328-I331 WeakPolarHBondContact O-CB 3.33Å; G328-I331 PolarHBondContact O-N 3.2Å; G328-I331 VanDerWaalsContact O-N 3.11Å; G328-R332 PolarHBondContact O-N 2.89Å; G328-R332 PolarHBondContact O-NH1 2.96Å; G328-Y392 VanDerWaalsContact CA-CZ 3.47Å; G328-Y392 WeakPolarHBondContact CA-OH 3.39Å |
| 329 | G | 94.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 7.4 Ų | 7.4 | 14% | 0.144 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T325 I331 R332 D333 | T325-G329 PolarHBondContact O-N 3.24Å; G329-I331 VanDerWaalsContact C-N 3.29Å; G329-I331 PolarHBondContact O-N 2.95Å; G329-R332 WeakPolarHBondContact O-CA 3.29Å; G329-R332 WeakPolarHBondContact O-CB 3.48Å; G329-R332 PolarHBondContact O-N 3.39Å; G329-D333 PolarHBondContact O-N 3.22Å |
| 330 | R | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 7.1 Ų | 7.1 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.2 | -27.5 | 178.4 | -163 | -85 | -51.6 | 131.5 | 6.9 | 113.2 | T307 E309 G326 V327 G328 V334 E398 T428 | T307-R330 HydrophobicContact CG2-CG 4.1Å; E309-R330 HydrophobicContact CB-CB 3.87Å; E309-R330 HydrophobicContact CB-CG 3.78Å; E309-R330 HydrophobicContact CG-CB 3.66Å; E309-R330 HydrophobicContact CG-CG 3.64Å; G326-R330 WeakPolarHBondContact O-CB 3.38Å; V327-R330 PolarHBondContact O-N 2.87Å; G328-R330 VanDerWaalsContact C-N 3.29Å; G328-R330 PolarHBondContact O-N 2.89Å; R330-V334 WeakPolarHBondContact O-CG2 3.43Å; R330-V334 PolarHBondContact O-N 2.84Å; R330-E398 IonicContact CZ-OE1 2.65Å; R330-E398 IonicContact CZ-OE2 2.73Å; R330-E398 IonicContact NH1-OE1 3.83Å; R330-E398 PolarHBondContact NH1-OE1 3.45Å; R330-E398 IonicContact NH1-OE2 2.86Å; R330-E398 PolarHBondContact NH1-OE2 3.41Å; R330-E398 VanDerWaalsContact NH1-OE2 3.12Å; R330-E398 IonicContact NH2-OE1 3.57Å; R330-E398 IonicContact NH2-OE2 3.09Å; R330-E398 PolarHBondContact NH2-OE2 3.37Å; R330-T428 HydrophobicContact CB-CG2 3.97Å; R330-T428 HydrophobicContact CG-CG2 4.09Å; R330-T428 PolarHBondContact NE-OG1 3.3Å; R330-T428 PolarHBondContact NH2-OG1 3.44Å |
| 331 | I | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.6 | -39.6 | 170.6 | -72.1 | 166.8 | 0 | 0 | 0 | 111 | V327 G328 G329 V334 H335 P343 Y392 F396 E398 E496 | V327-I331 HydrophobicContact CG1-CD1 3.8Å; V327-I331 HydrophobicContact CG1-CG1 4.44Å; V327-I331 WeakPolarHBondContact O-CG1 3.49Å; V327-I331 PolarHBondContact O-N 3.48Å; G328-I331 WeakPolarHBondContact O-CB 3.33Å; G328-I331 PolarHBondContact O-N 3.2Å; G328-I331 VanDerWaalsContact O-N 3.11Å; G329-I331 VanDerWaalsContact C-N 3.29Å; G329-I331 PolarHBondContact O-N 2.95Å; I331-V334 PolarHBondContact O-N 3.27Å; I331-H335 PolarHBondContact O-N 3.12Å; I331-H335 VanDerWaalsContact O-N 3.08Å; I331-H335 PolarHBondContact O-ND1 2.76Å; I331-P343 HydrophobicContact CG2-CG 4.31Å; I331-Y392 HydrophobicContact CD1-CD1 4.15Å; I331-Y392 HydrophobicContact CD1-CE1 4.02Å; I331-F396 HydrophobicContact CD1-CB 4.34Å; I331-F396 HydrophobicContact CD1-CD1 3.91Å; I331-F396 HydrophobicContact CD1-CD2 4.26Å; I331-F396 HydrophobicContact CD1-CE1 4.3Å; I331-F396 HydrophobicContact CD1-CG 3.9Å; I331-F396 HydrophobicContact CG2-CD2 4.18Å; I331-F396 HydrophobicContact CG2-CE1 4.05Å; I331-F396 HydrophobicContact CG2-CE2 3.56Å; I331-F396 HydrophobicContact CG2-CZ 3.5Å; I331-F396 VanDerWaalsContact CG2-CZ 3.5Å; I331-E398 WeakPolarHBondContact CG1-OE2 3.28Å; I331-E496 HydrophobicContact CB-CG 4.3Å; I331-E496 HydrophobicContact CG2-CG 3.83Å; I331-E496 WeakPolarHBondContact CG2-OE1 3.49Å |
| 332 | R | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 0% | 0.004 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.7 | -62.8 | -168.6 | -66.4 | -77.1 | 4.1 | 111.8 | G328 G329 V334 H335 A336 E496 L499 D520 Q521 E565 D567 | G328-R332 PolarHBondContact O-N 2.89Å; G328-R332 PolarHBondContact O-NH1 2.96Å; G329-R332 WeakPolarHBondContact O-CA 3.29Å; G329-R332 WeakPolarHBondContact O-CB 3.48Å; G329-R332 PolarHBondContact O-N 3.39Å; R332-V334 PolarHBondContact O-N 3.07Å; R332-H335 PolarHBondContact O-CD2 2.98Å; R332-H335 PolarHBondContact O-N 3.37Å; R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.23Å; R332-E496 WeakPolarHBondContact CG-OE1 3.4Å; R332-E496 WeakPolarHBondContact CG-OE2 3.16Å; R332-E496 IonicContact CZ-OE2 3.08Å; R332-E496 IonicContact NH1-OE2 3.35Å; R332-E496 PolarHBondContact NH1-OE2 3.36Å; R332-L499 HydrophobicContact CG-CD2 4.24Å; R332-D520 HydrophobicContact CB-CB 3.73Å; R332-Q521 PolarHBondContact NE-O 3.31Å; R332-Q521 PolarHBondContact NH2-O 3.34Å; R332-E565 VanDerWaalsContact NH1-N 3.14Å; R332-D567 WeakPolarHBondContact CD-OD1 3.43Å |
| 333 | D | 96.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 5 Ų | 5 | 7% | 0.07 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -54.1 | -40.6 | 175.2 | -72.6 | -51.2 | 0 | 0 | 0 | 113 | N272 S273 T307 G329 T337 | N272-D333 HydrophobicContact CB-CB 4.07Å; N272-D333 WeakPolarHBondContact CB-O 3.46Å; N272-D333 PolarHBondContact ND2-OD1 3.28Å; S273-D333 PolarHBondContact OG-O 2.56Å; T307-D333 HydrophobicContact CG2-CB 3.88Å; G329-D333 PolarHBondContact O-N 3.22Å; D333-T337 PolarHBondContact O-OG1 3.39Å |
| 334 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.1 | -54.9 | 174 | 173.4 | 0 | 0 | 0 | 0 | 110.3 | L305 T307 R330 I331 R332 T337 A341 P343 | L305-V334 HydrophobicContact CD1-CG1 4.45Å; L305-V334 HydrophobicContact CD2-CB 4.17Å; L305-V334 HydrophobicContact CD2-CG1 3.81Å; L305-V334 HydrophobicContact CD2-CG2 3.88Å; T307-V334 HydrophobicContact CG2-CG2 3.69Å; R330-V334 WeakPolarHBondContact O-CG2 3.43Å; R330-V334 PolarHBondContact O-N 2.84Å; I331-V334 PolarHBondContact O-N 3.27Å; R332-V334 PolarHBondContact O-N 3.07Å; V334-T337 WeakPolarHBondContact O-CB 3.27Å; V334-T337 PolarHBondContact O-N 2.85Å; V334-A341 WeakPolarHBondContact O-CB 3.08Å; V334-P343 HydrophobicContact CB-CG 4.23Å; V334-P343 HydrophobicContact CG1-CB 4.15Å; V334-P343 HydrophobicContact CG1-CG 3.77Å |
| 335 | H | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -76.2 | -26.1 | -170.3 | 69.2 | -141.6 | 0 | 0 | 0 | 114.5 | I331 R332 T337 G340 A341 E496 N500 I503 D567 | I331-H335 PolarHBondContact O-N 3.12Å; I331-H335 VanDerWaalsContact O-N 3.08Å; I331-H335 PolarHBondContact O-ND1 2.76Å; R332-H335 PolarHBondContact O-CD2 2.98Å; R332-H335 PolarHBondContact O-N 3.37Å; H335-T337 VanDerWaalsContact C-N 3.28Å; H335-T337 PolarHBondContact O-N 2.56Å; H335-G340 WeakPolarHBondContact O-CA 3.37Å; H335-A341 PolarHBondContact O-N 3.35Å; H335-A341 VanDerWaalsContact O-N 3.12Å; H335-E496 IonicContact CE1-OE1 3.36Å; H335-E496 PolarHBondContact CE1-OE1 3.26Å; H335-E496 IonicContact ND1-OE1 2.62Å; H335-E496 IonicContact NE2-OE1 3.83Å; H335-N500 VanDerWaalsContact CB-ND2 3.29Å; H335-N500 WeakPolarHBondContact CB-ND2 3.33Å; H335-N500 PolarHBondContact ND1-ND2 2.66Å; H335-I503 HydrophobicContact CB-CG2 4.44Å; H335-I503 WeakPolarHBondContact CD2-CD1 3.26Å; H335-I503 VanDerWaalsContact NE2-CD1 3.29Å; H335-I503 WeakPolarHBondContact NE2-CD1 3.35Å; H335-D567 IonicContact CD2-OD2 2.81Å; H335-D567 PolarHBondContact CD2-OD2 2.81Å; H335-D567 IonicContact NE2-OD1 2.71Å; H335-D567 IonicContact NE2-OD2 2.95Å; H335-D567 PolarHBondContact NE2-OD2 2.86Å |
| 336 | A | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R332 K441 I518 D520 | R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.23Å; A336-K441 WeakPolarHBondContact O-CE 3.46Å; A336-K441 PolarHBondContact O-NZ 2.99Å; A336-I518 HydrophobicContact CB-CG1 4.12Å; A336-D520 HydrophobicContact CB-CB 4.48Å |
| 337 | T | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -73.6 | 138.4 | 174.8 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | I267 S273 L305 D333 V334 H335 R339 G340 I434 | I267-T337 HydrophobicContact CD1-CG2 3.5Å; S273-T337 WeakPolarHBondContact CB-OG1 3.27Å; S273-T337 PolarHBondContact N-OG1 2.95Å; S273-T337 VanDerWaalsContact N-OG1 3.17Å; S273-T337 PolarHBondContact OG-OG1 2.88Å; S273-T337 VanDerWaalsContact OG-OG1 3.05Å; L305-T337 HydrophobicContact CD1-CG2 3.72Å; D333-T337 PolarHBondContact O-OG1 3.39Å; V334-T337 WeakPolarHBondContact O-CB 3.27Å; V334-T337 PolarHBondContact O-N 2.85Å; H335-T337 VanDerWaalsContact C-N 3.28Å; H335-T337 PolarHBondContact O-N 2.56Å; T337-R339 PolarHBondContact O-N 3.42Å; T337-G340 PolarHBondContact O-N 3.1Å; T337-I434 HydrophobicContact CG2-CD1 4.34Å |
| 338 | G | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -126.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D271 N438 K441 I518 | D271-G338 PolarHBondContact OD2-N 3.06Å; G338-N438 CarbonylContact C-O 3.32Å; G338-N438 WeakPolarHBondContact CA-O 3.38Å; G338-K441 WeakPolarHBondContact O-CE 3.15Å; G338-K441 WeakPolarHBondContact O-CG 3.09Å; G338-I518 WeakPolarHBondContact O-CG2 3.32Å |
| 339 | R | 97.7 | Very high | 97.4 | Very high | 31 Ų | 31 | 5.2 Ų | 5.2 | 12% | 0.117 | 3% | 0.03 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 35.3 | 175 | -50 | -166.8 | -40.6 | -85.8 | -13.4 | 112.4 | T337 A437 N438 R440 N513 I515 S516 | T337-R339 PolarHBondContact O-N 3.42Å; R339-A437 PolarHBondContact NH1-O 2.96Å; R339-A437 VanDerWaalsContact NH1-O 3.08Å; R339-A437 PolarHBondContact NH2-O 3.39Å; R339-N438 HydrophobicContact CB-CB 4.33Å; R339-N438 PolarHBondContact N-O 3.07Å; R339-N438 PolarHBondContact NH2-OD1 3.03Å; R339-R440 VanDerWaalsContact CD-O 3.32Å; R339-R440 WeakPolarHBondContact CD-O 3.34Å; R339-R440 VanDerWaalsContact CG-O 3.26Å; R339-R440 WeakPolarHBondContact CG-O 3.37Å; R339-R440 PolarHBondContact NH1-O 2.94Å; R339-N513 PolarHBondContact O-ND2 2.8Å; R339-I515 HydrophobicContact CB-CB 4.4Å; R339-I515 HydrophobicContact CB-CG2 4.2Å; R339-I515 WeakPolarHBondContact CD-O 3.4Å; R339-I515 PolarHBondContact NE-O 2.84Å; R339-S516 VanDerWaalsContact CD-O 3.26Å; R339-S516 WeakPolarHBondContact CD-O 3.48Å |
| 340 | G | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | trans | 111.8 | 123.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H335 T337 | H335-G340 WeakPolarHBondContact O-CA 3.37Å; T337-G340 PolarHBondContact O-N 3.1Å | ||
| 341 | A | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | trans | -137.5 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L305 V334 H335 S433 I434 | L305-A341 HydrophobicContact CD1-CB 3.94Å; V334-A341 WeakPolarHBondContact O-CB 3.08Å; H335-A341 PolarHBondContact O-N 3.35Å; H335-A341 VanDerWaalsContact O-N 3.12Å; A341-S433 WeakPolarHBondContact CB-O 3.29Å; A341-I434 HydrophobicContact CB-CB 3.81Å; A341-I434 HydrophobicContact CB-CD1 4.05Å; A341-I434 HydrophobicContact CB-CG1 3.88Å | ||
| 342 | Y | 97 | Very high | 97.6 | Very high | 12 Ų | 12 | 5.2 Ų | 5.2 | 5% | 0.047 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.9 | -166.7 | -39 | -63.1 | 0 | 0 | 0 | 111.3 | G432 S433 R504 A507 E508 | Y342-G432 CarbonylContact O-C 3.51Å; Y342-G432 WeakPolarHBondContact O-CA 3.46Å; Y342-S433 WeakPolarHBondContact CD2-O 3.29Å; Y342-S433 PolarHBondContact N-O 2.6Å; Y342-S433 PolarHBondContact O-N 2.81Å; Y342-R504 HydrophobicContact CD1-CB 4.27Å; Y342-R504 HydrophobicContact CD1-CG 3.89Å; Y342-R504 HydrophobicContact CE1-CB 4.29Å; Y342-R504 HydrophobicContact CE1-CG 3.82Å; Y342-A507 HydrophobicContact CE1-CB 3.9Å; Y342-E508 HydrophobicContact CE1-CG 4.17Å |
| 343 | P | 97.5 | Very high | 97.5 | Very high | 18 Ų | 18 | 5.2 Ų | 5.2 | 12% | 0.117 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144.9 | 162.8 | -19.8 | 32 | 0 | 0 | 0 | 111.1 | I331 V334 F396 N500 | I331-P343 HydrophobicContact CG2-CG 4.31Å; V334-P343 HydrophobicContact CB-CG 4.23Å; V334-P343 HydrophobicContact CG1-CB 4.15Å; V334-P343 HydrophobicContact CG1-CG 3.77Å; P343-F396 HydrophobicContact CB-CE1 4.3Å; P343-F396 HydrophobicContact CG-CE1 4.28Å; P343-F396 HydrophobicContact CG-CZ 4.15Å; P343-N500 WeakPolarHBondContact CD-ND2 3.04Å |
| 344 | I | 97.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 4.8 Ų | 4.8 | 5% | 0.046 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -47.9 | 174.9 | -57 | 172.9 | 0 | 0 | 0 | 110.9 | P399 L431 L686 V706 L708 | I344-P399 WeakPolarHBondContact O-CD 3.42Å; I344-P399 WeakPolarHBondContact O-CG 3.5Å; I344-L431 PolarHBondContact N-O 3.02Å; I344-L431 VanDerWaalsContact N-O 3.09Å; I344-L686 HydrophobicContact CG2-CB 3.98Å; I344-L686 HydrophobicContact CG2-CD1 4.05Å; I344-V706 HydrophobicContact CD1-CG2 4.46Å; I344-V706 HydrophobicContact CG2-CB 3.83Å; I344-V706 HydrophobicContact CG2-CG1 3.94Å; I344-V706 HydrophobicContact CG2-CG2 3.92Å; I344-L708 HydrophobicContact CD1-CD2 4.11Å |
| 345 | A | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 160.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P399 I401 L431 V706 | A345-P399 WeakPolarHBondContact CA-O 3.27Å; A345-P399 HydrophobicContact CB-CG 3.84Å; A345-I401 HydrophobicContact CB-CD1 3.46Å; A345-I401 VanDerWaalsContact CB-CD1 3.46Å; A345-I401 HydrophobicContact CB-CG1 3.84Å; A345-L431 PolarHBondContact N-O 3.42Å; A345-L431 WeakPolarHBondContact O-CA 3.42Å; A345-L431 WeakPolarHBondContact O-CB 3.18Å; A345-L431 PolarHBondContact O-N 3.39Å; A345-L431 VanDerWaalsContact O-O 3.12Å; A345-V706 HydrophobicContact CB-CG1 3.7Å |
| 346 | A | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.008 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 164.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E398 P399 V400 I401 A429 | A346-E398 HydrophobicContact CB-CG 4.04Å; A346-P399 PolarHBondContact N-O 3.17Å; A346-V400 HydrophobicContact CB-CG2 4.34Å; A346-V400 CarbonylContact O-C 2.98Å; A346-V400 WeakPolarHBondContact O-CA 3.49Å; A346-I401 PolarHBondContact O-N 2.92Å; A346-A429 CarbonylContact C-O 3.58Å; A346-A429 WeakPolarHBondContact CA-O 3.38Å; A346-A429 WeakPolarHBondContact CB-O 3.43Å |
| 347 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | C402 T428 A429 M718 I720 | A347-C402 VanDerWaalsContact CA-O 3.26Å; A347-C402 WeakPolarHBondContact CA-O 3.47Å; A347-C402 HydrophobicContact CB-CB 3.81Å; A347-T428 WeakPolarHBondContact O-CA 3.47Å; A347-T428 WeakPolarHBondContact O-CB 3.36Å; A347-T428 PolarHBondContact O-OG1 2.99Å; A347-A429 HydrophobicContact CB-CB 4.14Å; A347-A429 PolarHBondContact N-O 3.3Å; A347-A429 PolarHBondContact O-N 3.17Å; A347-M718 HydrophobicContact CB-CE 3.99Å; A347-I720 HydrophobicContact CB-CD1 3.71Å |
| 348 | A | 98 | Very high | 96.3 | Very high | 9 Ų | 9 | 10.1 Ų | 10.1 | 7% | 0.074 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y350 V400 C402 G403 F404 F427 | A348-Y350 HydrophobicContact CB-CE2 4.07Å; A348-V400 HydrophobicContact CB-CG1 3.88Å; A348-C402 PolarHBondContact N-O 3.48Å; A348-G403 WeakPolarHBondContact O-CA 3.46Å; A348-F404 PolarHBondContact O-N 3.29Å; A348-F427 CarbonylContact C-O 3.41Å; A348-F427 WeakPolarHBondContact CA-O 3.19Å |
| 349 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F404 F427 | G349-F404 WeakPolarHBondContact CA-O 3.11Å; G349-F427 PolarHBondContact N-O 3.5Å; G349-F427 PolarHBondContact O-N 3.39Å |
| 350 | Y | 98.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 13 Ų | 13 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.4 | -175 | -51.2 | -85.4 | 0 | 0 | 0 | 111.7 | A348 I382 A385 S386 A389 F404 A405 R406 I425 M426 L675 | A348-Y350 HydrophobicContact CB-CE2 4.07Å; Y350-I382 HydrophobicContact CD1-CD1 4.29Å; Y350-I382 HydrophobicContact CD2-CD1 3.98Å; Y350-I382 HydrophobicContact CG-CD1 3.69Å; Y350-A385 HydrophobicContact CD1-CB 4.16Å; Y350-A385 HydrophobicContact CE1-CB 4.01Å; Y350-S386 WeakPolarHBondContact OH-CA 3Å; Y350-A389 WeakPolarHBondContact OH-CB 3.34Å; Y350-F404 PolarHBondContact N-O 3.03Å; Y350-F404 VanDerWaalsContact N-O 3.07Å; Y350-A405 CarbonylContact O-C 3.59Å; Y350-A405 VanDerWaalsContact O-CA 3.31Å; Y350-A405 WeakPolarHBondContact O-CA 3.33Å; Y350-R406 PolarHBondContact O-N 3.46Å; Y350-I425 WeakPolarHBondContact CA-O 3.43Å; Y350-M426 HydrophobicContact CE1-CG 4.3Å; Y350-L675 HydrophobicContact CD2-CD1 4.25Å; Y350-L675 HydrophobicContact CE2-CD1 4.42Å; Y350-L675 HydrophobicContact CE2-CD2 4.32Å |
| 351 | S | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.3 | 167.7 | -43.1 | 0 | 0 | 0 | 0 | 110.8 | R406 P424 I425 | S351-R406 VanDerWaalsContact CA-O 3.28Å; S351-R406 WeakPolarHBondContact CA-O 3.45Å; S351-P424 CarbonylContact O-C 3.49Å; S351-P424 VanDerWaalsContact O-CA 3.25Å; S351-P424 WeakPolarHBondContact O-CA 3.24Å; S351-P424 WeakPolarHBondContact O-CB 3.13Å; S351-I425 PolarHBondContact N-O 2.78Å; S351-I425 PolarHBondContact O-N 2.89Å |
| 352 | F | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 165.3 | -167.9 | 44.4 | -86.4 | 0 | 0 | 0 | 111.1 | L355 P378 I382 A405 R406 S407 F408 P667 | F352-L355 HydrophobicContact CD2-CD2 3.65Å; F352-L355 HydrophobicContact CD2-CG 4.37Å; F352-L355 HydrophobicContact CE2-CD1 4.25Å; F352-L355 HydrophobicContact CE2-CD2 3.65Å; F352-L355 HydrophobicContact CE2-CG 4.08Å; F352-P378 HydrophobicContact CB-CB 4.31Å; F352-I382 HydrophobicContact CD1-CB 4.11Å; F352-I382 HydrophobicContact CD1-CD1 3.96Å; F352-I382 HydrophobicContact CD1-CG1 4.23Å; F352-I382 HydrophobicContact CD2-CB 4.4Å; F352-I382 HydrophobicContact CE1-CB 4.14Å; F352-I382 HydrophobicContact CE1-CD1 3.49Å; F352-I382 VanDerWaalsContact CE1-CD1 3.49Å; F352-I382 HydrophobicContact CE1-CG1 3.78Å; F352-I382 HydrophobicContact CE2-CB 4.4Å; F352-I382 HydrophobicContact CE2-CG1 4.45Å; F352-I382 HydrophobicContact CG-CB 4.27Å; F352-I382 HydrophobicContact CZ-CB 4.28Å; F352-I382 HydrophobicContact CZ-CD1 4.08Å; F352-I382 HydrophobicContact CZ-CG1 3.89Å; F352-A405 HydrophobicContact CE1-CB 4.2Å; F352-A405 HydrophobicContact CZ-CB 4.4Å; F352-R406 PolarHBondContact N-O 2.89Å; F352-S407 CarbonylContact O-C 3.54Å; F352-S407 VanDerWaalsContact O-CA 3.24Å; F352-S407 WeakPolarHBondContact O-CA 3.5Å; F352-F408 PolarHBondContact O-N 2.98Å; F352-P667 HydrophobicContact CE2-CB 4.11Å; F352-P667 HydrophobicContact CE2-CG 4.32Å; F352-P667 HydrophobicContact CZ-CB 3.98Å |
| 353 | G | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | -70.4 | -172.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 354 | N | 95.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | trans | -62.6 | 144.4 | 172.2 | -67.3 | -19.6 | 0 | 0 | 0 | 110.9 | E365 P378 D409 | N354-E365 HydrophobicContact CB-CB 4.49Å; N354-E365 HydrophobicContact CB-CG 3.93Å; N354-E365 WeakPolarHBondContact CB-OE1 3.32Å; N354-P378 WeakPolarHBondContact O-CB 3.47Å; N354-P378 WeakPolarHBondContact O-CG 3.42Å; N354-D409 HydrophobicContact CB-CB 4.36Å; N354-D409 PolarHBondContact ND2-O 2.9Å | ||
| 355 | L | 94 | Very high | 94.2 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | trans | -83.9 | -35.3 | -171.2 | -64.6 | 178.1 | 0 | 0 | 0 | 112.7 | F352 I357 E365 L379 I382 P667 I1017 | F352-L355 HydrophobicContact CD2-CD2 3.65Å; F352-L355 HydrophobicContact CD2-CG 4.37Å; F352-L355 HydrophobicContact CE2-CD1 4.25Å; F352-L355 HydrophobicContact CE2-CD2 3.65Å; F352-L355 HydrophobicContact CE2-CG 4.08Å; L355-I357 VanDerWaalsContact C-N 3.29Å; L355-I357 HydrophobicContact CB-CD1 4.33Å; L355-I357 HydrophobicContact CB-CG1 3.76Å; L355-I357 HydrophobicContact CD1-CD1 4.12Å; L355-I357 HydrophobicContact CD1-CG1 4.46Å; L355-I357 PolarHBondContact O-N 2.66Å; L355-E365 PolarHBondContact N-OE1 2.99Å; L355-L379 HydrophobicContact CD2-CB 4.32Å; L355-L379 HydrophobicContact CD2-CD1 4.24Å; L355-I382 HydrophobicContact CD2-CG2 3.71Å; L355-P667 HydrophobicContact CD1-CG 3.9Å; L355-I1017 HydrophobicContact CD1-CD1 4.06Å | ||
| 356 | H | 92.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 30.5 Ų | 30.5 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | trans | 49.4 | 47 | -177.3 | -56.5 | -80.6 | 0 | 0 | 0 | 112.7 | E365 E367 | H356-E365 VanDerWaalsContact CA-OE2 3.27Å; H356-E365 WeakPolarHBondContact CA-OE2 3.08Å; H356-E365 PolarHBondContact CE1-O 3.12Å; H356-E365 PolarHBondContact N-OE2 2.96Å; H356-E365 PolarHBondContact ND1-O 2.91Å; H356-E367 PolarHBondContact CE1-O 2.96Å | ||
| 357 | I | 92 | Very high | 91.7 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | trans | -59.6 | 128.4 | -170.9 | -59.5 | -176.6 | 0 | 0 | 0 | 110.8 | L355 G359 Y360 L379 R1016 I1017 M1020 | L355-I357 VanDerWaalsContact C-N 3.29Å; L355-I357 HydrophobicContact CB-CD1 4.33Å; L355-I357 HydrophobicContact CB-CG1 3.76Å; L355-I357 HydrophobicContact CD1-CD1 4.12Å; L355-I357 HydrophobicContact CD1-CG1 4.46Å; L355-I357 PolarHBondContact O-N 2.66Å; I357-G359 PolarHBondContact O-N 3.41Å; I357-Y360 HydrophobicContact CB-CD1 4.09Å; I357-Y360 HydrophobicContact CD1-CD1 4.1Å; I357-Y360 HydrophobicContact CG2-CD1 4.45Å; I357-Y360 CarbonylContact O-C 3.52Å; I357-Y360 PolarHBondContact O-N 2.8Å; I357-L379 HydrophobicContact CD1-CD1 4.47Å; I357-L379 HydrophobicContact CG1-CD1 4.13Å; I357-L379 HydrophobicContact CG1-CD2 4.3Å; I357-R1016 HydrophobicContact CD1-CB 4.21Å; I357-R1016 HydrophobicContact CG2-CB 4.29Å; I357-I1017 HydrophobicContact CD1-CG1 3.83Å; I357-M1020 HydrophobicContact CG2-SD 4.13Å | ||
| 358 | P | 88.3 | Confident | 90.4 | Very high | 47 Ų | 47 | 43.4 Ų | 43.4 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.8 | 178.7 | -27.4 | 34.2 | 0 | 0 | 0 | 113 | A20 Y360 M1020 | A20-P358 WeakPolarHBondContact O-CB 3.13Å; A20-P358 WeakPolarHBondContact O-CG 3.28Å; P358-Y360 VanDerWaalsContact C-N 3.27Å; P358-Y360 PolarHBondContact O-N 2.76Å; P358-M1020 HydrophobicContact CG-CE 4.43Å |
| 359 | G | 89.6 | Confident | 89.1 | Confident | 77 Ų | 77 | 44.7 Ų | 44.7 | 79% | 0.794 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I357 R1016 | I357-G359 PolarHBondContact O-N 3.41Å; G359-R1016 PolarHBondContact O-NH1 3.31Å |
| 360 | Y | 92.6 | Very high | 87.6 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | trans | -143.2 | 69.9 | 179.6 | -176.4 | -120.2 | 0 | 0 | 0 | 110.4 | I357 P358 L362 R665 E1012 T1013 R1016 | I357-Y360 HydrophobicContact CB-CD1 4.09Å; I357-Y360 HydrophobicContact CD1-CD1 4.1Å; I357-Y360 HydrophobicContact CG2-CD1 4.45Å; I357-Y360 CarbonylContact O-C 3.52Å; I357-Y360 PolarHBondContact O-N 2.8Å; P358-Y360 VanDerWaalsContact C-N 3.27Å; P358-Y360 PolarHBondContact O-N 2.76Å; Y360-L362 HydrophobicContact CD1-CD1 4.35Å; Y360-L362 HydrophobicContact CD1-CG 4.41Å; Y360-L362 HydrophobicContact CE1-CD1 3.96Å; Y360-L362 HydrophobicContact CE1-CD2 4.04Å; Y360-L362 HydrophobicContact CE1-CG 4.21Å; Y360-L362 HydrophobicContact CE2-CD2 4.31Å; Y360-R665 WeakPolarHBondContact OH-CD 3.11Å; Y360-R665 VanDerWaalsContact OH-CG 3.31Å; Y360-R665 WeakPolarHBondContact OH-CG 3.48Å; Y360-R665 PolarHBondContact OH-NE 3.04Å; Y360-E1012 HydrophobicContact CE2-CG 3.77Å; Y360-E1012 WeakPolarHBondContact CE2-OE1 3.21Å; Y360-T1013 HydrophobicContact CE1-CG2 4.42Å; Y360-T1013 WeakPolarHBondContact CE1-OG1 3.43Å; Y360-T1013 PolarHBondContact OH-N 2.82Å; Y360-T1013 PolarHBondContact OH-OG1 2.83Å; Y360-R1016 HydrophobicContact CD1-CB 4.31Å; Y360-R1016 HydrophobicContact CD1-CG 3.9Å; Y360-R1016 HydrophobicContact CD2-CG 4.15Å; Y360-R1016 HydrophobicContact CE1-CG 4.06Å; Y360-R1016 HydrophobicContact CE2-CG 4.33Å; Y360-R1016 HydrophobicContact CG-CG 3.92Å | ||
| 361 | A | 91.2 | Very high | 86.1 | Confident | 95 Ų | 95 | 52.3 Ų | 52.3 | 79% | 0.785 | 29% | 0.286 | S | S | * | . | trans | -78.5 | 122.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 362 | L | 93.4 | Very high | 84.9 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | trans | -101 | 147.4 | 179.7 | -62.7 | 168.9 | 0 | 0 | 0 | 110.9 | Y360 W364 E365 R665 | Y360-L362 HydrophobicContact CD1-CD1 4.35Å; Y360-L362 HydrophobicContact CD1-CG 4.41Å; Y360-L362 HydrophobicContact CE1-CD1 3.96Å; Y360-L362 HydrophobicContact CE1-CD2 4.04Å; Y360-L362 HydrophobicContact CE1-CG 4.21Å; Y360-L362 HydrophobicContact CE2-CD2 4.31Å; L362-W364 VanDerWaalsContact C-N 3.28Å; L362-W364 HydrophobicContact CB-CD2 4.27Å; L362-W364 HydrophobicContact CB-CE3 4.34Å; L362-W364 HydrophobicContact CB-CH2 4.06Å; L362-W364 HydrophobicContact CB-CZ2 3.97Å; L362-W364 HydrophobicContact CB-CZ3 4.22Å; L362-W364 HydrophobicContact CD1-CH2 4.03Å; L362-W364 HydrophobicContact CD1-CZ2 3.63Å; L362-W364 HydrophobicContact CD2-CH2 4.04Å; L362-W364 HydrophobicContact CD2-CZ2 4.48Å; L362-W364 HydrophobicContact CG-CH2 4.26Å; L362-W364 HydrophobicContact CG-CZ2 4.23Å; L362-W364 PolarHBondContact O-N 2.81Å; L362-E365 HydrophobicContact CB-CB 4.42Å; L362-E365 HydrophobicContact CB-CG 4.03Å; L362-E365 PolarHBondContact O-N 3.28Å; L362-R665 HydrophobicContact CD2-CB 4.16Å | ||
| 363 | K | 89.6 | Confident | 83.7 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 53% | 0.53 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.5 | -170 | -77.7 | 175.3 | 178 | 171.2 | 0 | 114 | Q366 D658 M662 | K363-Q366 VanDerWaalsContact O-CG 3.23Å; K363-Q366 WeakPolarHBondContact O-CG 3.17Å; K363-D658 IonicContact NZ-OD1 3.87Å; K363-D658 PolarHBondContact NZ-OD1 3.48Å; K363-M662 HydrophobicContact CB-SD 4.03Å; K363-M662 HydrophobicContact CD-CG 4.21Å; K363-M662 HydrophobicContact CD-SD 3.54Å; K363-M662 VanDerWaalsContact CD-SD 3.54Å; K363-M662 HydrophobicContact CG-SD 4.38Å |
| 364 | W | 90.6 | Very high | 82.8 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.5 | 176.2 | 61.9 | 88.9 | 0 | 0 | 0 | 113.9 | L362 M662 R665 L666 C866 | L362-W364 VanDerWaalsContact C-N 3.28Å; L362-W364 HydrophobicContact CB-CD2 4.27Å; L362-W364 HydrophobicContact CB-CE3 4.34Å; L362-W364 HydrophobicContact CB-CH2 4.06Å; L362-W364 HydrophobicContact CB-CZ2 3.97Å; L362-W364 HydrophobicContact CB-CZ3 4.22Å; L362-W364 HydrophobicContact CD1-CH2 4.03Å; L362-W364 HydrophobicContact CD1-CZ2 3.63Å; L362-W364 HydrophobicContact CD2-CH2 4.04Å; L362-W364 HydrophobicContact CD2-CZ2 4.48Å; L362-W364 HydrophobicContact CG-CH2 4.26Å; L362-W364 HydrophobicContact CG-CZ2 4.23Å; L362-W364 PolarHBondContact O-N 2.81Å; W364-M662 HydrophobicContact CE3-CB 4.47Å; W364-M662 WeakPolarHBondContact CH2-O 3.35Å; W364-M662 HydrophobicContact CZ3-CB 3.82Å; W364-M662 HydrophobicContact CZ3-CG 4.21Å; W364-R665 HydrophobicContact CH2-CB 4.08Å; W364-L666 HydrophobicContact CH2-CB 4.43Å; W364-L666 HydrophobicContact CZ2-CB 4.25Å; W364-L666 HydrophobicContact CZ2-CD1 3.77Å; W364-C866 HydrophobicContact CE3-CB 3.95Å; W364-C866 HydrophobicContact CZ3-CB 4.27Å; W364-C866 VanDerWaalsContact CZ3-SG 3.56Å |
| 365 | E | 91.1 | Very high | 82.3 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | trans | -100 | 25.1 | -178.4 | -57.7 | -164.3 | 145.3 | 0 | 0 | 112.7 | N354 L355 H356 L362 | N354-E365 HydrophobicContact CB-CB 4.49Å; N354-E365 HydrophobicContact CB-CG 3.93Å; N354-E365 WeakPolarHBondContact CB-OE1 3.32Å; L355-E365 PolarHBondContact N-OE1 2.99Å; H356-E365 VanDerWaalsContact CA-OE2 3.27Å; H356-E365 WeakPolarHBondContact CA-OE2 3.08Å; H356-E365 PolarHBondContact CE1-O 3.12Å; H356-E365 PolarHBondContact N-OE2 2.96Å; H356-E365 PolarHBondContact ND1-O 2.91Å; L362-E365 HydrophobicContact CB-CB 4.42Å; L362-E365 HydrophobicContact CB-CG 4.03Å; L362-E365 PolarHBondContact O-N 3.28Å | ||
| 366 | Q | 70.2 | Confident | 81.9 | Confident | 146 Ų | 146 | 59.8 Ų | 59.8 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | trans | -69.4 | -40.4 | -174.4 | -67.6 | -79.4 | -61.8 | 0 | 0 | 113.1 | K363 K368 | K363-Q366 VanDerWaalsContact O-CG 3.23Å; K363-Q366 WeakPolarHBondContact O-CG 3.17Å; Q366-K368 PolarHBondContact O-N 3.08Å; Q366-K368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | E | 71.7 | Confident | 81.8 | Confident | 120 Ų | 120 | 59.8 Ų | 59.8 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -79.5 | 94.7 | 174.5 | -68.5 | -163.7 | 172.7 | 0 | 0 | 109.9 | H356 H369 | H356-E367 PolarHBondContact CE1-O 2.96Å; E367-H369 PolarHBondContact O-N 2.95Å; E367-H369 IonicContact OE2-CE1 3.62Å; E367-H369 PolarHBondContact OE2-CE1 3.06Å |
| 368 | K | 71.4 | Confident | 81.9 | Confident | 153 Ų | 153 | 60.1 Ų | 60.1 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | trans | -73.5 | 91.1 | 171.5 | -171 | 174.3 | -177.9 | 175.6 | 0 | 110.1 | Q366 | Q366-K368 PolarHBondContact O-N 3.08Å; Q366-K368 VanDerWaalsContact O-N 3.14Å | ||
| 369 | H | 70.5 | Confident | 82.2 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 160.4 | 178.7 | -58.8 | -53.4 | 0 | 0 | 0 | 113.3 | E367 D409 R418 | E367-H369 PolarHBondContact O-N 2.95Å; E367-H369 IonicContact OE2-CE1 3.62Å; E367-H369 PolarHBondContact OE2-CE1 3.06Å; H369-D409 IonicContact CD2-OD1 3.37Å; H369-D409 IonicContact CD2-OD2 3.18Å; H369-R418 VanDerWaalsContact CB-CZ 3.41Å; H369-R418 PolarHBondContact CD2-NE 3.05Å; H369-R418 VanDerWaalsContact CD2-NE 3.29Å |
| 370 | N | 67.6 | Low | 82.2 | Confident | 103 Ų | 103 | 58 Ų | 58 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 154.5 | 163.6 | -71 | -8.6 | 0 | 0 | 0 | 110.8 | R418 V807 S808 | N370-R418 PolarHBondContact O-NH1 2.93Å; N370-V807 HydrophobicContact CB-CG1 3.9Å; N370-V807 WeakPolarHBondContact O-CG1 3.46Å; N370-S808 PolarHBondContact ND2-OG 3.13Å |
| 371 | N | 66.6 | Low | 82.3 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -104 | 163.7 | 169.6 | -69.5 | -39.6 | 0 | 0 | 0 | 110.8 | ||
| 372 | C | 72.4 | Confident | 82.5 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 137.1 | 166.6 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | S374 F375 V422 N806 V807 | C372-S374 PolarHBondContact O-N 3.24Å; C372-F375 HydrophobicContact CB-CB 4.43Å; C372-F375 HydrophobicContact CB-CD2 4.1Å; C372-F375 HydrophobicContact CB-CG 4.43Å; C372-F375 PolarHBondContact O-N 2.94Å; C372-V422 HydrophobicContact CB-CG1 4.06Å; C372-N806 PolarHBondContact SG-O 3.23Å; C372-V807 HydrophobicContact CB-CG2 4.48Å |
| 373 | C | 71.8 | Confident | 82.5 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 74% | 0.743 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -73.7 | -22.3 | -172.9 | 53.4 | 0 | 0 | 0 | 0 | 114.7 | R149 | R149-C373 PolarHBondContact NH2-O 2.84Š|
| 374 | S | 75.1 | Confident | 82.6 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -71.9 | -31.2 | 171.7 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | R149 C372 E484 | R149-S374 PolarHBondContact NH2-O 3.42Å; C372-S374 PolarHBondContact O-N 3.24Å; S374-E484 WeakPolarHBondContact CB-OE1 3.16Å; S374-E484 PolarHBondContact OG-OE1 3.18Å |
| 375 | F | 85.4 | Confident | 82.8 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -97.1 | 156.3 | -171 | -64.9 | -18 | 0 | 0 | 0 | 114.2 | F313 G316 V317 C372 V422 K423 Q473 A805 | F313-F375 AromaticContact CD2-CE1 3.97Å; F313-F375 HydrophobicContact CD2-CE1 3.97Å; F313-F375 HydrophobicContact CD2-CZ 4.06Å; F313-F375 AromaticContact CE2-CE1 3.95Å; F313-F375 HydrophobicContact CE2-CE1 3.95Å; F313-F375 HydrophobicContact CE2-CZ 4.32Å; G316-F375 VanDerWaalsContact C-CD1 3.47Å; G316-F375 CarbonylContact O-C 3.54Å; G316-F375 WeakPolarHBondContact O-CA 3.04Å; G316-F375 WeakPolarHBondContact O-CB 3.37Å; V317-F375 HydrophobicContact CG2-CD1 3.89Å; V317-F375 HydrophobicContact CG2-CE1 3.75Å; C372-F375 HydrophobicContact CB-CB 4.43Å; C372-F375 HydrophobicContact CB-CD2 4.1Å; C372-F375 HydrophobicContact CB-CG 4.43Å; C372-F375 PolarHBondContact O-N 2.94Å; F375-V422 HydrophobicContact CD2-CG1 4.38Å; F375-V422 VanDerWaalsContact CD2-O 3.26Å; F375-V422 WeakPolarHBondContact CD2-O 3.36Å; F375-K423 HydrophobicContact CE2-CB 3.86Å; F375-K423 HydrophobicContact CE2-CG 4.17Å; F375-K423 HydrophobicContact CZ-CB 4.44Å; F375-K423 HydrophobicContact CZ-CG 4.27Å; F375-Q473 HydrophobicContact CE2-CB 4.19Å; F375-Q473 HydrophobicContact CZ-CB 3.62Å; F375-Q473 HydrophobicContact CZ-CG 4.1Å; F375-A805 HydrophobicContact CE2-CB 4.01Å |
| 376 | A | 86.4 | Confident | 83 | Confident | 19 Ų | 19 | 48.3 Ų | 48.3 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 156.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G316 P319 N380 V381 | G316-A376 PolarHBondContact O-N 3.07Å; P319-A376 HydrophobicContact CG-CB 3.64Å; A376-N380 HydrophobicContact CB-CB 4.36Å; A376-V381 HydrophobicContact CB-CG2 3.87Å |
| 377 | S | 90.4 | Very high | 83.9 | Confident | 50 Ų | 50 | 41.9 Ų | 41.9 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -67.8 | 151.7 | 171.4 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | L379 N380 V381 | S377-L379 PolarHBondContact O-N 3.38Å; S377-L379 VanDerWaalsContact O-N 3.15Å; S377-N380 CarbonylContact O-C 3.51Å; S377-N380 PolarHBondContact O-N 3.03Å; S377-N380 WeakPolarHBondContact OG-CB 3.25Å; S377-N380 PolarHBondContact OG-N 3.47Å; S377-V381 WeakPolarHBondContact O-CG2 3.38Å; S377-V381 PolarHBondContact O-N 3.18Å |
| 378 | P | 93.6 | Very high | 84.9 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.1 | -39.2 | -179.6 | -31.1 | 37.3 | 0 | 0 | 0 | 114.7 | F352 N354 V381 I382 | F352-P378 HydrophobicContact CB-CB 4.31Å; N354-P378 WeakPolarHBondContact O-CB 3.47Å; N354-P378 WeakPolarHBondContact O-CG 3.42Å; P378-V381 WeakPolarHBondContact O-CB 3.41Å; P378-V381 PolarHBondContact O-N 3.42Å; P378-I382 PolarHBondContact O-N 2.74Å |
| 379 | L | 93.8 | Very high | 86 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 175.9 | -177 | 56.3 | 0 | 0 | 0 | 112.7 | L355 I357 S377 I382 I383 I1017 M1020 | L355-L379 HydrophobicContact CD2-CB 4.32Å; L355-L379 HydrophobicContact CD2-CD1 4.24Å; I357-L379 HydrophobicContact CD1-CD1 4.47Å; I357-L379 HydrophobicContact CG1-CD1 4.13Å; I357-L379 HydrophobicContact CG1-CD2 4.3Å; S377-L379 PolarHBondContact O-N 3.38Å; S377-L379 VanDerWaalsContact O-N 3.15Å; L379-I382 WeakPolarHBondContact O-CG2 3.3Å; L379-I383 HydrophobicContact CD1-CD1 3.91Å; L379-I383 HydrophobicContact CD1-CG1 4.45Å; L379-I383 HydrophobicContact CG-CD1 4.18Å; L379-I383 WeakPolarHBondContact O-CB 3.26Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.34Å; L379-I383 PolarHBondContact O-N 3.37Å; L379-I383 VanDerWaalsContact O-N 3.17Å; L379-I1017 HydrophobicContact CD1-CG1 4.49Å; L379-M1020 HydrophobicContact CD2-CE 3.85Å; L379-M1020 HydrophobicContact CD2-SD 3.95Å |
| 380 | N | 91.2 | Very high | 86.9 | Confident | 69 Ų | 69 | 27.7 Ų | 27.7 | 37% | 0.369 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72.3 | -32.6 | 174.8 | -170 | 74.6 | 0 | 0 | 0 | 111.9 | A376 S377 E384 | A376-N380 HydrophobicContact CB-CB 4.36Å; S377-N380 CarbonylContact O-C 3.51Å; S377-N380 PolarHBondContact O-N 3.03Å; S377-N380 WeakPolarHBondContact OG-CB 3.25Å; S377-N380 PolarHBondContact OG-N 3.47Å; N380-E384 WeakPolarHBondContact O-CB 3.49Å; N380-E384 PolarHBondContact O-N 2.98Å |
| 381 | V | 93.7 | Very high | 87.9 | Confident | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -58 | 171.7 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | P319 A376 S377 P378 I383 E384 A385 P424 | P319-V381 HydrophobicContact CG-CB 4.45Å; P319-V381 HydrophobicContact CG-CG2 4.07Å; A376-V381 HydrophobicContact CB-CG2 3.87Å; S377-V381 WeakPolarHBondContact O-CG2 3.38Å; S377-V381 PolarHBondContact O-N 3.18Å; P378-V381 WeakPolarHBondContact O-CB 3.41Å; P378-V381 PolarHBondContact O-N 3.42Å; V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 2.76Å; V381-E384 PolarHBondContact O-N 3.32Å; V381-A385 HydrophobicContact CG1-CB 4.5Å; V381-A385 WeakPolarHBondContact O-CA 3.35Å; V381-A385 WeakPolarHBondContact O-CB 3.37Å; V381-A385 PolarHBondContact O-N 3.31Å; V381-P424 HydrophobicContact CG1-CB 3.7Å; V381-P424 HydrophobicContact CG1-CG 3.91Å; V381-P424 HydrophobicContact CG2-CG 4.35Å |
| 382 | I | 96.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | -175.2 | -172.3 | 55.3 | 0 | 0 | 0 | 112.3 | Y350 F352 L355 P378 L379 S386 Y674 L675 | Y350-I382 HydrophobicContact CD1-CD1 4.29Å; Y350-I382 HydrophobicContact CD2-CD1 3.98Å; Y350-I382 HydrophobicContact CG-CD1 3.69Å; F352-I382 HydrophobicContact CD1-CB 4.11Å; F352-I382 HydrophobicContact CD1-CD1 3.96Å; F352-I382 HydrophobicContact CD1-CG1 4.23Å; F352-I382 HydrophobicContact CD2-CB 4.4Å; F352-I382 HydrophobicContact CE1-CB 4.14Å; F352-I382 HydrophobicContact CE1-CD1 3.49Å; F352-I382 VanDerWaalsContact CE1-CD1 3.49Å; F352-I382 HydrophobicContact CE1-CG1 3.78Å; F352-I382 HydrophobicContact CE2-CB 4.4Å; F352-I382 HydrophobicContact CE2-CG1 4.45Å; F352-I382 HydrophobicContact CG-CB 4.27Å; F352-I382 HydrophobicContact CZ-CB 4.28Å; F352-I382 HydrophobicContact CZ-CD1 4.08Å; F352-I382 HydrophobicContact CZ-CG1 3.89Å; L355-I382 HydrophobicContact CD2-CG2 3.71Å; P378-I382 PolarHBondContact O-N 2.74Å; L379-I382 WeakPolarHBondContact O-CG2 3.3Å; I382-S386 WeakPolarHBondContact O-CB 3.45Å; I382-S386 PolarHBondContact O-N 2.73Å; I382-S386 PolarHBondContact O-OG 3.05Å; I382-Y674 HydrophobicContact CD1-CE2 4.37Å; I382-Y674 HydrophobicContact CG1-CE2 3.82Å; I382-L675 HydrophobicContact CD1-CD2 4.18Å |
| 383 | I | 92.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 6% | 0.062 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -61.2 | 174.7 | -68.5 | 170.8 | 0 | 0 | 0 | 109.9 | L379 V381 S386 N387 I1017 M1020 Q1021 | L379-I383 HydrophobicContact CD1-CD1 3.91Å; L379-I383 HydrophobicContact CD1-CG1 4.45Å; L379-I383 HydrophobicContact CG-CD1 4.18Å; L379-I383 WeakPolarHBondContact O-CB 3.26Å; L379-I383 VanDerWaalsContact O-CG1 3.3Å; L379-I383 WeakPolarHBondContact O-CG1 3.34Å; L379-I383 PolarHBondContact O-N 3.37Å; L379-I383 VanDerWaalsContact O-N 3.17Å; V381-I383 VanDerWaalsContact C-N 3.32Å; V381-I383 PolarHBondContact O-N 2.76Å; I383-S386 PolarHBondContact O-OG 2.66Å; I383-S386 VanDerWaalsContact O-OG 3.09Å; I383-N387 PolarHBondContact O-N 3.43Å; I383-N387 VanDerWaalsContact O-N 3.13Å; I383-N387 PolarHBondContact O-ND2 3.03Å; I383-N387 PolarHBondContact O-OD1 3.19Å; I383-I1017 HydrophobicContact CD1-CG2 4.3Å; I383-I1017 HydrophobicContact CG1-CG2 3.82Å; I383-M1020 HydrophobicContact CD1-CB 4.06Å; I383-Q1021 HydrophobicContact CG2-CB 3.97Å |
| 384 | E | 92.4 | Very high | 91 | Very high | 47 Ų | 47 | 16.3 Ų | 16.3 | 22% | 0.22 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -80.4 | -27.7 | -168.3 | -66.8 | -55.2 | 141.5 | 0 | 0 | 114.5 | P319 F320 N380 V381 N387 G388 R1202 | P319-E384 HydrophobicContact CB-CB 4.01Å; F320-E384 WeakPolarHBondContact CA-O 3.48Å; F320-E384 HydrophobicContact CB-CB 4.31Å; N380-E384 WeakPolarHBondContact O-CB 3.49Å; N380-E384 PolarHBondContact O-N 2.98Å; V381-E384 PolarHBondContact O-N 3.32Å; E384-N387 PolarHBondContact O-N 3.4Å; E384-N387 PolarHBondContact OE1-ND2 3.09Å; E384-N387 PolarHBondContact OE2-ND2 2.78Å; E384-G388 PolarHBondContact O-N 3.43Å; E384-R1202 IonicContact OE1-NH2 3.97Å; E384-R1202 PolarHBondContact OE1-NH2 2.95Å |
| 385 | A | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T315 P319 A323 Y350 V381 N387 G388 A389 | T315-A385 HydrophobicContact CG2-CB 3.58Å; P319-A385 HydrophobicContact CB-CB 4.1Å; A323-A385 HydrophobicContact CB-CB 3.82Å; A323-A385 WeakPolarHBondContact CB-O 3.28Å; Y350-A385 HydrophobicContact CD1-CB 4.16Å; Y350-A385 HydrophobicContact CE1-CB 4.01Å; V381-A385 HydrophobicContact CG1-CB 4.5Å; V381-A385 WeakPolarHBondContact O-CA 3.35Å; V381-A385 WeakPolarHBondContact O-CB 3.37Å; V381-A385 PolarHBondContact O-N 3.31Å; A385-N387 PolarHBondContact O-N 3.11Å; A385-G388 PolarHBondContact O-N 2.78Å; A385-A389 PolarHBondContact O-N 3.02Å |
| 386 | S | 95 | Very high | 92.1 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.6 | -27.5 | 177.8 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | Y350 I382 I383 S390 K678 | Y350-S386 WeakPolarHBondContact OH-CA 3Å; I382-S386 WeakPolarHBondContact O-CB 3.45Å; I382-S386 PolarHBondContact O-N 2.73Å; I382-S386 PolarHBondContact O-OG 3.05Å; I383-S386 PolarHBondContact O-OG 2.66Å; I383-S386 VanDerWaalsContact O-OG 3.09Å; S386-S390 VanDerWaalsContact O-CB 3.24Å; S386-S390 WeakPolarHBondContact O-CB 3.41Å; S386-S390 PolarHBondContact O-N 3.17Å; S386-S390 VanDerWaalsContact O-N 3.09Å; S386-S390 PolarHBondContact O-OG 2.99Å; S386-K678 PolarHBondContact OG-NZ 3.14Å |
| 387 | N | 89.8 | Confident | 92.5 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 5% | 0.053 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66 | -50.2 | 169.7 | -56.1 | -26.6 | 0 | 0 | 0 | 111.4 | F320 I383 E384 A385 A389 S390 D391 K678 R1202 | F320-N387 HydrophobicContact CD2-CB 3.75Å; F320-N387 HydrophobicContact CE2-CB 3.84Å; I383-N387 PolarHBondContact O-N 3.43Å; I383-N387 VanDerWaalsContact O-N 3.13Å; I383-N387 PolarHBondContact O-ND2 3.03Å; I383-N387 PolarHBondContact O-OD1 3.19Å; E384-N387 PolarHBondContact O-N 3.4Å; E384-N387 PolarHBondContact OE1-ND2 3.09Å; E384-N387 PolarHBondContact OE2-ND2 2.78Å; A385-N387 PolarHBondContact O-N 3.11Å; N387-A389 PolarHBondContact O-N 2.85Å; N387-S390 WeakPolarHBondContact CA-OG 3.11Å; N387-S390 PolarHBondContact O-N 3.38Å; N387-S390 PolarHBondContact O-OG 3.27Å; N387-D391 VanDerWaalsContact O-CB 3.28Å; N387-D391 WeakPolarHBondContact O-CB 3.36Å; N387-D391 PolarHBondContact O-N 2.71Å; N387-K678 PolarHBondContact OD1-NZ 2.77Å; N387-R1202 VanDerWaalsContact ND2-CZ 3.3Å; N387-R1202 PolarHBondContact ND2-NH1 3.06Å; N387-R1202 PolarHBondContact ND2-NH2 3.26Å; N387-R1202 VanDerWaalsContact ND2-NH2 3.1Å; N387-R1202 PolarHBondContact OD1-NH1 3Å |
| 388 | G | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F320 E384 A385 S390 Y392 | F320-G388 WeakPolarHBondContact O-CA 2.97Å; E384-G388 PolarHBondContact O-N 3.43Å; A385-G388 PolarHBondContact O-N 2.78Å; G388-S390 PolarHBondContact O-N 3.26Å; G388-Y392 WeakPolarHBondContact O-CB 3.21Å; G388-Y392 PolarHBondContact O-N 3.19Å; G388-Y392 VanDerWaalsContact O-N 3.15Å |
| 389 | A | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.017 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A323 V327 Y350 A385 N387 G393 M426 | A323-A389 HydrophobicContact CB-CB 4.4Å; V327-A389 HydrophobicContact CG2-CB 3.74Å; Y350-A389 WeakPolarHBondContact OH-CB 3.34Å; A385-A389 PolarHBondContact O-N 3.02Å; N387-A389 PolarHBondContact O-N 2.85Å; A389-G393 PolarHBondContact O-N 2.91Å; A389-M426 HydrophobicContact CB-CE 4.02Å |
| 390 | S | 90.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.063 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -69.1 | -43.8 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | S386 N387 G388 Y392 G393 N394 K678 | S386-S390 VanDerWaalsContact O-CB 3.24Å; S386-S390 WeakPolarHBondContact O-CB 3.41Å; S386-S390 PolarHBondContact O-N 3.17Å; S386-S390 VanDerWaalsContact O-N 3.09Å; S386-S390 PolarHBondContact O-OG 2.99Å; N387-S390 WeakPolarHBondContact CA-OG 3.11Å; N387-S390 PolarHBondContact O-N 3.38Å; N387-S390 PolarHBondContact O-OG 3.27Å; G388-S390 PolarHBondContact O-N 3.26Å; S390-Y392 VanDerWaalsContact C-N 3.28Å; S390-Y392 PolarHBondContact O-N 2.56Å; S390-G393 PolarHBondContact O-N 2.81Å; S390-N394 WeakPolarHBondContact O-CB 3.42Å; S390-N394 PolarHBondContact O-N 3.04Å; S390-N394 PolarHBondContact O-ND2 3.09Å; S390-N394 VanDerWaalsContact O-ND2 3.12Å; S390-N394 PolarHBondContact O-OD1 2.97Å; S390-K678 WeakPolarHBondContact CB-O 3.39Å; S390-K678 WeakPolarHBondContact OG-CD 3.27Å |
| 391 | D | 88.5 | Confident | 93.1 | Very high | 45 Ų | 45 | 10.9 Ų | 10.9 | 24% | 0.241 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 179.5 | -176.6 | 86.9 | 0 | 0 | 0 | 110.9 | F320 N387 K395 | F320-D391 HydrophobicContact CE2-CB 4.21Å; F320-D391 HydrophobicContact CZ-CB 3.81Å; N387-D391 VanDerWaalsContact O-CB 3.28Å; N387-D391 WeakPolarHBondContact O-CB 3.36Å; N387-D391 PolarHBondContact O-N 2.71Å; D391-K395 WeakPolarHBondContact O-CB 3.36Å; D391-K395 WeakPolarHBondContact O-CD 3.48Å; D391-K395 VanDerWaalsContact O-CG 3.25Å; D391-K395 WeakPolarHBondContact O-CG 3.49Å; D391-K395 PolarHBondContact O-N 3.42Å; D391-K395 WeakPolarHBondContact OD1-CE 3.34Å; D391-K395 IonicContact OD1-NZ 3.39Å; D391-K395 PolarHBondContact OD1-NZ 2.99Å; D391-K395 IonicContact OD2-NZ 2.8Å; D391-K395 PolarHBondContact OD2-NZ 2.95Å |
| 392 | Y | 94 | Very high | 93.3 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69.3 | -54.1 | 176 | -155.5 | -78.2 | 0 | 0 | 0 | 112.2 | A324 V327 G328 I331 G388 S390 N394 K395 F396 P493 E496 E565 | A324-Y392 HydrophobicContact CB-CD2 3.96Å; A324-Y392 HydrophobicContact CB-CG 4.49Å; A324-Y392 WeakPolarHBondContact O-CD2 3.18Å; V327-Y392 HydrophobicContact CB-CD1 4.24Å; V327-Y392 HydrophobicContact CG1-CD1 3.8Å; V327-Y392 HydrophobicContact CG1-CG 4.42Å; G328-Y392 VanDerWaalsContact CA-CZ 3.47Å; G328-Y392 WeakPolarHBondContact CA-OH 3.39Å; I331-Y392 HydrophobicContact CD1-CD1 4.15Å; I331-Y392 HydrophobicContact CD1-CE1 4.02Å; G388-Y392 WeakPolarHBondContact O-CB 3.21Å; G388-Y392 PolarHBondContact O-N 3.19Å; G388-Y392 VanDerWaalsContact O-N 3.15Å; S390-Y392 VanDerWaalsContact C-N 3.28Å; S390-Y392 PolarHBondContact O-N 2.56Å; Y392-N394 PolarHBondContact O-N 2.84Å; Y392-K395 PolarHBondContact O-N 2.56Å; Y392-F396 WeakPolarHBondContact O-CB 3.39Å; Y392-F396 PolarHBondContact O-N 3.2Å; Y392-P493 HydrophobicContact CD1-CB 3.81Å; Y392-P493 HydrophobicContact CD2-CB 3.78Å; Y392-P493 HydrophobicContact CD2-CG 4Å; Y392-P493 HydrophobicContact CE1-CB 3.87Å; Y392-P493 HydrophobicContact CE2-CB 3.88Å; Y392-P493 HydrophobicContact CE2-CG 4.31Å; Y392-P493 HydrophobicContact CG-CB 3.78Å; Y392-P493 HydrophobicContact CG-CG 4.27Å; Y392-E496 HydrophobicContact CE1-CB 4.28Å; Y392-E496 HydrophobicContact CE1-CG 4Å; Y392-E496 WeakPolarHBondContact OH-CB 3.46Å; Y392-E496 PolarHBondContact OH-OE2 2.76Å; Y392-E565 WeakPolarHBondContact CE2-OE1 3.41Å; Y392-E565 WeakPolarHBondContact OH-CG 3.46Å; Y392-E565 PolarHBondContact OH-OE1 2.82Å |
| 393 | G | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61 | -43.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A389 S390 K395 G397 E398 | A389-G393 PolarHBondContact O-N 2.91Å; S390-G393 PolarHBondContact O-N 2.81Å; G393-K395 PolarHBondContact O-N 3.04Å; G393-G397 PolarHBondContact O-N 3.3Å; G393-E398 CarbonylContact C-O 3.57Å; G393-E398 PolarHBondContact O-N 3.44Å |
| 394 | N | 88 | Confident | 93.6 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 178.7 | -64.1 | -15.7 | 0 | 0 | 0 | 111.8 | S390 Y392 G397 K678 V679 D680 N1058 F1101 W1203 | S390-N394 WeakPolarHBondContact O-CB 3.42Å; S390-N394 PolarHBondContact O-N 3.04Å; S390-N394 PolarHBondContact O-ND2 3.09Å; S390-N394 VanDerWaalsContact O-ND2 3.12Å; S390-N394 PolarHBondContact O-OD1 2.97Å; Y392-N394 PolarHBondContact O-N 2.84Å; N394-G397 PolarHBondContact O-N 3.41Å; N394-K678 PolarHBondContact ND2-O 2.97Å; N394-V679 WeakPolarHBondContact OD1-CA 3.39Å; N394-D680 PolarHBondContact OD1-N 2.94Å; N394-N1058 PolarHBondContact O-ND2 2.88Å; N394-N1058 VanDerWaalsContact O-ND2 3.13Å; N394-F1101 VanDerWaalsContact C-CE2 3.43Å; N394-F1101 HydrophobicContact CB-CE2 3.98Å; N394-F1101 HydrophobicContact CB-CZ 3.85Å; N394-F1101 WeakPolarHBondContact O-CD2 3.28Å; N394-F1101 WeakPolarHBondContact O-CE2 3.36Å; N394-W1203 WeakPolarHBondContact ND2-CZ3 3.24Å |
| 395 | K | 89.4 | Confident | 93.9 | Very high | 42 Ų | 42 | 11.3 Ų | 11.3 | 18% | 0.183 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.6 | -47.1 | -179.5 | -76.7 | 171.8 | -174.1 | 164.7 | 0 | 112.3 | D391 Y392 G393 G397 P493 N1058 F1101 | D391-K395 WeakPolarHBondContact O-CB 3.36Å; D391-K395 WeakPolarHBondContact O-CD 3.48Å; D391-K395 VanDerWaalsContact O-CG 3.25Å; D391-K395 WeakPolarHBondContact O-CG 3.49Å; D391-K395 PolarHBondContact O-N 3.42Å; D391-K395 WeakPolarHBondContact OD1-CE 3.34Å; D391-K395 IonicContact OD1-NZ 3.39Å; D391-K395 PolarHBondContact OD1-NZ 2.99Å; D391-K395 IonicContact OD2-NZ 2.8Å; D391-K395 PolarHBondContact OD2-NZ 2.95Å; Y392-K395 PolarHBondContact O-N 2.56Å; G393-K395 PolarHBondContact O-N 3.04Å; K395-G397 VanDerWaalsContact C-N 3.3Å; K395-G397 PolarHBondContact O-N 3.49Å; K395-P493 HydrophobicContact CB-CB 3.9Å; K395-P493 HydrophobicContact CB-CG 3.64Å; K395-P493 HydrophobicContact CD-CG 3.69Å; K395-P493 HydrophobicContact CG-CG 4.31Å; K395-N1058 PolarHBondContact O-ND2 3.13Å; K395-N1058 VanDerWaalsContact O-ND2 3.16Å; K395-F1101 HydrophobicContact CB-CB 4.45Å; K395-F1101 HydrophobicContact CB-CD2 4.48Å; K395-F1101 HydrophobicContact CB-CG 4.34Å; K395-F1101 HydrophobicContact CG-CB 4.1Å; K395-F1101 HydrophobicContact CG-CD1 3.66Å; K395-F1101 HydrophobicContact CG-CD2 4.22Å; K395-F1101 HydrophobicContact CG-CE1 3.96Å; K395-F1101 HydrophobicContact CG-CG 3.77Å; K395-F1101 HydrophobicContact CG-CZ 4.35Å |
| 396 | F | 95.1 | Very high | 94 | Very high | 13 Ų | 13 | 11.6 Ų | 11.6 | 6% | 0.057 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 174.2 | 175.9 | -91.3 | 0 | 0 | 0 | 111.5 | I331 P343 Y392 E398 P493 E496 Q497 N500 | I331-F396 HydrophobicContact CD1-CB 4.34Å; I331-F396 HydrophobicContact CD1-CD1 3.91Å; I331-F396 HydrophobicContact CD1-CD2 4.26Å; I331-F396 HydrophobicContact CD1-CE1 4.3Å; I331-F396 HydrophobicContact CD1-CG 3.9Å; I331-F396 HydrophobicContact CG2-CD2 4.18Å; I331-F396 HydrophobicContact CG2-CE1 4.05Å; I331-F396 HydrophobicContact CG2-CE2 3.56Å; I331-F396 HydrophobicContact CG2-CZ 3.5Å; I331-F396 VanDerWaalsContact CG2-CZ 3.5Å; P343-F396 HydrophobicContact CB-CE1 4.3Å; P343-F396 HydrophobicContact CG-CE1 4.28Å; P343-F396 HydrophobicContact CG-CZ 4.15Å; Y392-F396 WeakPolarHBondContact O-CB 3.39Å; Y392-F396 PolarHBondContact O-N 3.2Å; F396-E398 HydrophobicContact CD1-CB 3.76Å; F396-E398 HydrophobicContact CE1-CB 4.14Å; F396-P493 HydrophobicContact CB-CB 4.43Å; F396-E496 HydrophobicContact CD2-CB 4.04Å; F396-E496 HydrophobicContact CD2-CG 3.79Å; F396-E496 HydrophobicContact CE2-CB 4.47Å; F396-E496 HydrophobicContact CE2-CG 3.96Å; F396-Q497 HydrophobicContact CD2-CB 4.02Å; F396-Q497 HydrophobicContact CD2-CG 4.3Å; F396-Q497 HydrophobicContact CE2-CB 4.47Å; F396-Q497 WeakPolarHBondContact O-CG 3.32Å; F396-N500 HydrophobicContact CE2-CB 3.7Å; F396-N500 HydrophobicContact CZ-CB 3.77Å |
| 397 | G | 93.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 14% | 0.144 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.8 | 38.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G393 N394 K395 V683 N1058 | G393-G397 PolarHBondContact O-N 3.3Å; N394-G397 PolarHBondContact O-N 3.41Å; K395-G397 VanDerWaalsContact C-N 3.3Å; K395-G397 PolarHBondContact O-N 3.49Å; G397-V683 WeakPolarHBondContact O-CG2 3.08Å; G397-N1058 VanDerWaalsContact CA-ND2 3.33Å; G397-N1058 WeakPolarHBondContact CA-ND2 3.42Å; G397-N1058 PolarHBondContact N-ND2 2.74Å |
| 398 | E | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | trans | -116 | 119.5 | 173.2 | -175 | -176.8 | -130.7 | 0 | 0 | 109.1 | R330 I331 A346 G393 F396 | R330-E398 IonicContact CZ-OE1 2.65Å; R330-E398 IonicContact CZ-OE2 2.73Å; R330-E398 IonicContact NH1-OE1 3.83Å; R330-E398 PolarHBondContact NH1-OE1 3.45Å; R330-E398 IonicContact NH1-OE2 2.86Å; R330-E398 PolarHBondContact NH1-OE2 3.41Å; R330-E398 VanDerWaalsContact NH1-OE2 3.12Å; R330-E398 IonicContact NH2-OE1 3.57Å; R330-E398 IonicContact NH2-OE2 3.09Å; R330-E398 PolarHBondContact NH2-OE2 3.37Å; I331-E398 WeakPolarHBondContact CG1-OE2 3.28Å; A346-E398 HydrophobicContact CB-CG 4.04Å; G393-E398 CarbonylContact C-O 3.57Å; G393-E398 PolarHBondContact O-N 3.44Å; F396-E398 HydrophobicContact CD1-CB 3.76Å; F396-E398 HydrophobicContact CE1-CB 4.14Å | ||
| 399 | P | 94.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -77.3 | 137.7 | -177.9 | 33.1 | -33.9 | 0 | 0 | 0 | 111 | I344 A345 A346 I401 D680 V683 V687 | I344-P399 WeakPolarHBondContact O-CD 3.42Å; I344-P399 WeakPolarHBondContact O-CG 3.5Å; A345-P399 WeakPolarHBondContact CA-O 3.27Å; A345-P399 HydrophobicContact CB-CG 3.84Å; A346-P399 PolarHBondContact N-O 3.17Å; P399-I401 HydrophobicContact CB-CG2 3.97Å; P399-I401 HydrophobicContact CG-CG2 4.35Å; P399-D680 CarbonylContact C-O 3.45Å; P399-D680 WeakPolarHBondContact CA-O 3.12Å; P399-D680 VanDerWaalsContact CB-O 3.26Å; P399-D680 WeakPolarHBondContact CB-O 3.45Å; P399-V683 HydrophobicContact CB-CG1 3.98Å; P399-V683 HydrophobicContact CG-CG1 4.25Å; P399-V683 WeakPolarHBondContact CG-O 3.15Å; P399-V687 HydrophobicContact CB-CG2 4.08Å; P399-V687 HydrophobicContact CG-CG2 3.66Å | ||
| 400 | V | 96.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 12 Ų | 12 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 105.4 | 175 | -174 | 0 | 0 | 0 | 0 | 108.8 | A346 A348 V679 D680 Q691 | A346-V400 HydrophobicContact CB-CG2 4.34Å; A346-V400 CarbonylContact O-C 2.98Å; A346-V400 WeakPolarHBondContact O-CA 3.49Å; A348-V400 HydrophobicContact CB-CG1 3.88Å; V400-V679 HydrophobicContact CB-CB 3.89Å; V400-V679 HydrophobicContact CB-CG1 3.86Å; V400-V679 HydrophobicContact CB-CG2 4.11Å; V400-V679 HydrophobicContact CG2-CB 4.3Å; V400-V679 HydrophobicContact CG2-CG1 3.99Å; V400-V679 WeakPolarHBondContact O-CG2 3.3Å; V400-D680 PolarHBondContact N-O 2.77Å; V400-Q691 PolarHBondContact O-NE2 2.83Å |
| 401 | I | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -5.2 | -166.5 | 62.1 | 172.6 | 0 | 0 | 0 | 114.7 | A345 A346 P399 V687 Q690 Q691 A704 V706 | A345-I401 HydrophobicContact CB-CD1 3.46Å; A345-I401 VanDerWaalsContact CB-CD1 3.46Å; A345-I401 HydrophobicContact CB-CG1 3.84Å; A346-I401 PolarHBondContact O-N 2.92Å; P399-I401 HydrophobicContact CB-CG2 3.97Å; P399-I401 HydrophobicContact CG-CG2 4.35Å; I401-V687 HydrophobicContact CD1-CG1 4.47Å; I401-V687 HydrophobicContact CG2-CG1 3.88Å; I401-V687 HydrophobicContact CG2-CG2 3.99Å; I401-Q690 HydrophobicContact CB-CB 4.42Å; I401-Q690 HydrophobicContact CG2-CB 4.34Å; I401-Q691 WeakPolarHBondContact O-CG 3.43Å; I401-Q691 PolarHBondContact O-N 2.69Å; I401-Q691 PolarHBondContact O-OE1 3.38Å; I401-A704 HydrophobicContact CB-CB 4.46Å; I401-A704 HydrophobicContact CD1-CB 3.73Å; I401-A704 HydrophobicContact CG1-CB 3.7Å; I401-V706 HydrophobicContact CD1-CG1 3.67Å |
| 402 | C | 97.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 14.2 Ų | 14.2 | 11% | 0.108 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 165.9 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | A347 A348 A704 M718 | A347-C402 VanDerWaalsContact CA-O 3.26Å; A347-C402 WeakPolarHBondContact CA-O 3.47Å; A347-C402 HydrophobicContact CB-CB 3.81Å; A348-C402 PolarHBondContact N-O 3.48Å; C402-A704 HydrophobicContact CB-CB 3.82Å; C402-M718 HydrophobicContact CB-CE 4.02Å |
| 403 | G | 97.8 | Very high | 92.8 | Very high | 40 Ų | 40 | 22.2 Ų | 22.2 | 41% | 0.412 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A348 | A348-G403 WeakPolarHBondContact O-CA 3.46Å |
| 404 | F | 98.2 | Very high | 91.6 | Very high | 19 Ų | 19 | 24.9 Ų | 24.9 | 8% | 0.083 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.1 | 174 | 69.6 | -91.9 | 0 | 0 | 0 | 111.1 | A348 G349 Y350 F427 I720 E722 V819 | A348-F404 PolarHBondContact O-N 3.29Å; G349-F404 WeakPolarHBondContact CA-O 3.11Å; Y350-F404 PolarHBondContact N-O 3.03Å; Y350-F404 VanDerWaalsContact N-O 3.07Å; F404-F427 HydrophobicContact CE1-CB 4.16Å; F404-F427 AromaticContact CE1-CD1 3.72Å; F404-F427 HydrophobicContact CE1-CD1 3.72Å; F404-F427 HydrophobicContact CE1-CE1 4.35Å; F404-F427 AromaticContact CE1-CG 3.99Å; F404-F427 HydrophobicContact CE1-CG 3.99Å; F404-F427 HydrophobicContact CZ-CB 4.08Å; F404-F427 HydrophobicContact CZ-CD1 4.47Å; F404-F427 HydrophobicContact CZ-CG 4.34Å; F404-I720 HydrophobicContact CD1-CG2 4.05Å; F404-E722 HydrophobicContact CB-CG 4.38Å; F404-E722 HydrophobicContact CD1-CG 4.24Å; F404-E722 HydrophobicContact CD2-CG 3.79Å; F404-E722 HydrophobicContact CE1-CG 4.48Å; F404-E722 HydrophobicContact CE2-CG 4.08Å; F404-E722 HydrophobicContact CG-CG 3.89Å; F404-E722 HydrophobicContact CZ-CG 4.42Å; F404-V819 HydrophobicContact CE1-CG1 3.96Å; F404-V819 HydrophobicContact CE1-CG2 3.8Å; F404-V819 HydrophobicContact CZ-CG2 3.65Å |
| 405 | A | 98.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 116.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y350 F352 P667 S668 K672 L675 | Y350-A405 CarbonylContact O-C 3.59Å; Y350-A405 VanDerWaalsContact O-CA 3.31Å; Y350-A405 WeakPolarHBondContact O-CA 3.33Å; F352-A405 HydrophobicContact CE1-CB 4.2Å; F352-A405 HydrophobicContact CZ-CB 4.4Å; A405-P667 CarbonylContact O-C 3.5Å; A405-P667 VanDerWaalsContact O-O 3.06Å; A405-S668 VanDerWaalsContact O-CA 3.22Å; A405-S668 WeakPolarHBondContact O-CA 3.39Å; A405-S668 PolarHBondContact O-N 2.8Å; A405-K672 HydrophobicContact CB-CD 4.33Å; A405-L675 HydrophobicContact CB-CD1 3.89Å |
| 406 | R | 97.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 123 | -176.8 | -170.5 | 177.4 | -61.4 | -80 | -4.3 | 112.3 | Y350 S351 F352 E722 D909 | Y350-R406 PolarHBondContact O-N 3.46Å; S351-R406 VanDerWaalsContact CA-O 3.28Å; S351-R406 WeakPolarHBondContact CA-O 3.45Å; F352-R406 PolarHBondContact N-O 2.89Å; R406-E722 IonicContact CZ-OE1 3.49Å; R406-E722 IonicContact CZ-OE2 3.61Å; R406-E722 VanDerWaalsContact NE-CD 3.25Å; R406-E722 IonicContact NE-OE1 3.99Å; R406-E722 PolarHBondContact NE-OE1 2.8Å; R406-E722 IonicContact NE-OE2 3.01Å; R406-E722 PolarHBondContact NE-OE2 3.47Å; R406-E722 PolarHBondContact NH2-O 3.49Å; R406-E722 IonicContact NH2-OE1 3.9Å; R406-E722 PolarHBondContact NH2-OE1 3.24Å; R406-E722 IonicContact NH2-OE2 2.76Å; R406-D909 IonicContact CZ-OD1 2.99Å; R406-D909 IonicContact CZ-OD2 2.72Å; R406-D909 VanDerWaalsContact NH1-CG 3.35Å; R406-D909 IonicContact NH1-OD1 2.78Å; R406-D909 PolarHBondContact NH1-OD1 3.49Å; R406-D909 IonicContact NH1-OD2 2.73Å; R406-D909 PolarHBondContact NH1-OD2 2.7Å; R406-D909 VanDerWaalsContact NH1-OD2 3.12Å; R406-D909 IonicContact NH2-OD1 2.85Å; R406-D909 IonicContact NH2-OD2 2.85Å; R406-D909 PolarHBondContact NH2-OD2 3.38Å |
| 407 | S | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.9 | 166.5 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | F352 P667 Q865 | F352-S407 CarbonylContact O-C 3.54Å; F352-S407 VanDerWaalsContact O-CA 3.24Å; F352-S407 WeakPolarHBondContact O-CA 3.5Å; S407-P667 VanDerWaalsContact OG-CD 3.26Å; S407-P667 WeakPolarHBondContact OG-CD 2.98Å; S407-P667 WeakPolarHBondContact OG-CG 3.26Å; S407-Q865 PolarHBondContact O-NE2 3.21Å |
| 408 | F | 95.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -151 | 124.1 | 162.5 | -164.6 | -82.4 | 0 | 0 | 0 | 110.9 | F352 Q410 F419 G420 Y421 V725 L728 P815 Q865 L870 | F352-F408 PolarHBondContact O-N 2.98Å; F408-Q410 HydrophobicContact CE1-CB 4.06Å; F408-Q410 HydrophobicContact CE1-CG 4.47Å; F408-Q410 HydrophobicContact CZ-CB 4.07Å; F408-Q410 HydrophobicContact CZ-CG 4.29Å; F408-F419 WeakPolarHBondContact CD1-O 3.49Å; F408-F419 HydrophobicContact CE1-CB 4.04Å; F408-F419 WeakPolarHBondContact CE1-O 3.35Å; F408-G420 WeakPolarHBondContact O-CA 3.27Å; F408-Y421 HydrophobicContact CB-CD2 3.94Å; F408-Y421 HydrophobicContact CB-CE2 3.73Å; F408-Y421 PolarHBondContact O-N 2.78Å; F408-Y421 VanDerWaalsContact O-N 3.16Å; F408-V725 HydrophobicContact CD2-CG1 4.38Å; F408-V725 HydrophobicContact CD2-CG2 3.83Å; F408-V725 HydrophobicContact CE2-CG1 3.88Å; F408-V725 HydrophobicContact CE2-CG2 4.19Å; F408-L728 HydrophobicContact CE1-CD1 3.85Å; F408-L728 HydrophobicContact CE2-CD1 4.24Å; F408-L728 HydrophobicContact CZ-CD1 3.67Å; F408-P815 HydrophobicContact CB-CG 4.37Å; F408-P815 HydrophobicContact CD1-CG 3.82Å; F408-P815 HydrophobicContact CE1-CG 4.43Å; F408-P815 HydrophobicContact CG-CG 4.17Å; F408-Q865 HydrophobicContact CD2-CG 4.21Å; F408-Q865 HydrophobicContact CE2-CG 4.16Å; F408-L870 HydrophobicContact CE2-CD2 4.48Å; F408-L870 HydrophobicContact CZ-CD2 4.36Å | ||
| 409 | D | 93.8 | Very high | 89.6 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 106.5 | 166.1 | -165.6 | -4.6 | 0 | 0 | 0 | 109.6 | N354 H369 R418 F419 | N354-D409 HydrophobicContact CB-CB 4.36Å; N354-D409 PolarHBondContact ND2-O 2.9Å; H369-D409 IonicContact CD2-OD1 3.37Å; H369-D409 IonicContact CD2-OD2 3.18Å; D409-R418 IonicContact OD1-CZ 2.8Å; D409-R418 IonicContact OD1-NE 3.16Å; D409-R418 PolarHBondContact OD1-NE 3.46Å; D409-R418 IonicContact OD1-NH2 3.62Å; D409-R418 PolarHBondContact OD1-NH2 2.91Å; D409-R418 IonicContact OD2-CZ 3.51Å; D409-R418 IonicContact OD2-NE 3.5Å; D409-R418 IonicContact OD2-NH2 2.76Å; D409-R418 PolarHBondContact OD2-NH2 3.24Å; D409-F419 CarbonylContact C-O 3.57Å; D409-F419 WeakPolarHBondContact CA-O 3.15Å |
| 410 | Q | 91.4 | Very high | 89.6 | Confident | 18 Ų | 18 | 29.2 Ų | 29.2 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.1 | -177.3 | -65.1 | -168.9 | -15.9 | 0 | 0 | 112 | F408 F419 Q865 | F408-Q410 HydrophobicContact CE1-CB 4.06Å; F408-Q410 HydrophobicContact CE1-CG 4.47Å; F408-Q410 HydrophobicContact CZ-CB 4.07Å; F408-Q410 HydrophobicContact CZ-CG 4.29Å; Q410-F419 PolarHBondContact N-O 3.31Å; Q410-F419 PolarHBondContact O-N 2.86Å; Q410-Q865 PolarHBondContact NE2-O 2.86Å |
| 411 | R | 89.4 | Confident | 89.6 | Confident | 92 Ų | 92 | 28.7 Ų | 28.7 | 35% | 0.347 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.4 | 163.8 | -172.5 | 173.2 | -59.8 | -76.7 | -7.2 | 110.2 | Q413 G416 E810 | R411-Q413 PolarHBondContact O-N 3.23Å; R411-Q413 VanDerWaalsContact O-N 3.16Å; R411-G416 PolarHBondContact NH1-O 3.46Å; R411-E810 IonicContact CZ-OE1 3.38Å; R411-E810 VanDerWaalsContact CZ-OE1 3.25Å; R411-E810 IonicContact CZ-OE2 3.93Å; R411-E810 IonicContact NH1-OE1 3.67Å; R411-E810 PolarHBondContact NH1-OE1 2.7Å; R411-E810 VanDerWaalsContact NH2-CD 3.25Å; R411-E810 IonicContact NH2-OE1 3.73Å; R411-E810 PolarHBondContact NH2-OE1 2.67Å; R411-E810 IonicContact NH2-OE2 2.74Å; R411-E810 PolarHBondContact NH2-OE2 2.88Å |
| 412 | V | 80.4 | Confident | 89.4 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | trans | -80.3 | 100.6 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | Q414 L415 G416 E417 F419 L870 | V412-Q414 PolarHBondContact O-N 2.7Å; V412-Q414 VanDerWaalsContact O-N 3.1Å; V412-L415 HydrophobicContact CB-CB 4.17Å; V412-L415 HydrophobicContact CB-CD1 4.21Å; V412-L415 HydrophobicContact CG1-CB 4.23Å; V412-L415 HydrophobicContact CG1-CD1 3.98Å; V412-L415 HydrophobicContact CG1-CG 4.46Å; V412-L415 WeakPolarHBondContact O-CA 3.12Å; V412-L415 WeakPolarHBondContact O-CB 3.1Å; V412-L415 PolarHBondContact O-N 2.72Å; V412-G416 PolarHBondContact O-N 3.05Å; V412-E417 PolarHBondContact N-O 2.89Å; V412-F419 HydrophobicContact CG2-CD2 4.18Å; V412-L870 HydrophobicContact CG1-CD1 3.83Å; V412-L870 HydrophobicContact CG2-CD1 3.99Å | ||
| 413 | Q | 71.4 | Confident | 89.3 | Confident | 170 Ų | 170 | 28.7 Ų | 28.7 | 79% | 0.794 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.7 | -170.7 | -67.3 | -174.2 | -6.6 | 0 | 0 | 113.8 | R411 L415 G416 | R411-Q413 PolarHBondContact O-N 3.23Å; R411-Q413 VanDerWaalsContact O-N 3.16Å; Q413-L415 VanDerWaalsContact C-N 3.27Å; Q413-L415 PolarHBondContact O-N 3.29Å; Q413-G416 PolarHBondContact O-N 2.81Å |
| 414 | Q | 67.1 | Low | 89.2 | Confident | 56 Ų | 56 | 26.9 Ų | 26.9 | 26% | 0.262 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.8 | 178.1 | -59.7 | 81.6 | -4.3 | 0 | 0 | 113.6 | V412 L645 | V412-Q414 PolarHBondContact O-N 2.7Å; V412-Q414 VanDerWaalsContact O-N 3.1Å; Q414-L645 HydrophobicContact CG-CD2 4.4Å |
| 415 | L | 69.8 | Low | 89.2 | Confident | 39 Ų | 39 | 26.1 Ų | 26.1 | 20% | 0.204 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -25.5 | 175.4 | -91.7 | 156.3 | 0 | 0 | 0 | 112.3 | V412 Q413 E417 F419 Y643 | V412-L415 HydrophobicContact CB-CB 4.17Å; V412-L415 HydrophobicContact CB-CD1 4.21Å; V412-L415 HydrophobicContact CG1-CB 4.23Å; V412-L415 HydrophobicContact CG1-CD1 3.98Å; V412-L415 HydrophobicContact CG1-CG 4.46Å; V412-L415 WeakPolarHBondContact O-CA 3.12Å; V412-L415 WeakPolarHBondContact O-CB 3.1Å; V412-L415 PolarHBondContact O-N 2.72Å; Q413-L415 VanDerWaalsContact C-N 3.27Å; Q413-L415 PolarHBondContact O-N 3.29Å; L415-E417 HydrophobicContact CB-CB 4.37Å; L415-E417 PolarHBondContact O-N 2.9Å; L415-E417 VanDerWaalsContact O-N 3.14Å; L415-F419 HydrophobicContact CB-CE2 4.46Å; L415-F419 HydrophobicContact CD1-CE2 3.67Å; L415-F419 HydrophobicContact CD1-CZ 4.13Å; L415-F419 HydrophobicContact CG-CE2 4.47Å; L415-Y643 HydrophobicContact CD1-CE1 4.11Å; L415-Y643 HydrophobicContact CD2-CD1 4.38Å; L415-Y643 HydrophobicContact CD2-CE1 3.39Å; L415-Y643 HydrophobicContact CG-CD1 4.04Å; L415-Y643 HydrophobicContact CG-CE1 3.46Å; L415-Y643 VanDerWaalsContact CG-CE1 3.46Å |
| 416 | G | 79.7 | Confident | 89.2 | Confident | 46 Ų | 46 | 26 Ų | 26 | 47% | 0.474 | 13% | 0.133 | S | C | . | . | trans | 75.2 | -19.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R411 V412 Q413 | R411-G416 PolarHBondContact NH1-O 3.46Å; V412-G416 PolarHBondContact O-N 3.05Å; Q413-G416 PolarHBondContact O-N 2.81Å | ||
| 417 | E | 86.7 | Confident | 89.2 | Confident | 72 Ų | 72 | 25.8 Ų | 25.8 | 34% | 0.336 | 13% | 0.132 | S | C | . | . | trans | -84.8 | 153.6 | -178.1 | -59.5 | -178.7 | 124.7 | 0 | 0 | 113.4 | V412 L415 F419 K813 | V412-E417 PolarHBondContact N-O 2.89Å; L415-E417 HydrophobicContact CB-CB 4.37Å; L415-E417 PolarHBondContact O-N 2.9Å; L415-E417 VanDerWaalsContact O-N 3.14Å; E417-F419 HydrophobicContact CB-CD2 4.28Å; E417-F419 HydrophobicContact CB-CE2 3.75Å; E417-F419 WeakPolarHBondContact OE2-CE2 3.12Å; E417-F419 VanDerWaalsContact OE2-CZ 3.29Å; E417-F419 WeakPolarHBondContact OE2-CZ 3.41Å; E417-K813 WeakPolarHBondContact OE1-CE 3.3Å; E417-K813 IonicContact OE1-NZ 3.82Å; E417-K813 PolarHBondContact OE1-NZ 3.46Å; E417-K813 WeakPolarHBondContact OE2-CE 3.4Å; E417-K813 IonicContact OE2-NZ 2.77Å; E417-K813 PolarHBondContact OE2-NZ 3.28Å | ||
| 418 | R | 90.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.9 | 166.6 | 179.4 | -179.4 | 163.2 | -156.7 | 2.4 | 110.3 | H369 N370 D409 V812 | H369-R418 VanDerWaalsContact CB-CZ 3.41Å; H369-R418 PolarHBondContact CD2-NE 3.05Å; H369-R418 VanDerWaalsContact CD2-NE 3.29Å; N370-R418 PolarHBondContact O-NH1 2.93Å; D409-R418 IonicContact OD1-CZ 2.8Å; D409-R418 IonicContact OD1-NE 3.16Å; D409-R418 PolarHBondContact OD1-NE 3.46Å; D409-R418 IonicContact OD1-NH2 3.62Å; D409-R418 PolarHBondContact OD1-NH2 2.91Å; D409-R418 IonicContact OD2-CZ 3.51Å; D409-R418 IonicContact OD2-NE 3.5Å; D409-R418 IonicContact OD2-NH2 2.76Å; D409-R418 PolarHBondContact OD2-NH2 3.24Å; R418-V812 HydrophobicContact CB-CG2 4.46Å; R418-V812 HydrophobicContact CG-CG1 4.05Å; R418-V812 HydrophobicContact CG-CG2 4.26Å |
| 419 | F | 93.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.7 | 172.5 | -72.6 | -98.2 | 0 | 0 | 0 | 109.8 | F408 D409 Q410 V412 L415 E417 L728 K813 | F408-F419 WeakPolarHBondContact CD1-O 3.49Å; F408-F419 HydrophobicContact CE1-CB 4.04Å; F408-F419 WeakPolarHBondContact CE1-O 3.35Å; D409-F419 CarbonylContact C-O 3.57Å; D409-F419 WeakPolarHBondContact CA-O 3.15Å; Q410-F419 PolarHBondContact N-O 3.31Å; Q410-F419 PolarHBondContact O-N 2.86Å; V412-F419 HydrophobicContact CG2-CD2 4.18Å; L415-F419 HydrophobicContact CB-CE2 4.46Å; L415-F419 HydrophobicContact CD1-CE2 3.67Å; L415-F419 HydrophobicContact CD1-CZ 4.13Å; L415-F419 HydrophobicContact CG-CE2 4.47Å; E417-F419 HydrophobicContact CB-CD2 4.28Å; E417-F419 HydrophobicContact CB-CE2 3.75Å; E417-F419 WeakPolarHBondContact OE2-CE2 3.12Å; E417-F419 VanDerWaalsContact OE2-CZ 3.29Å; E417-F419 WeakPolarHBondContact OE2-CZ 3.41Å; F419-L728 HydrophobicContact CB-CD2 4.45Å; F419-L728 HydrophobicContact CD1-CD2 3.58Å; F419-L728 HydrophobicContact CE1-CD2 3.92Å; F419-L728 HydrophobicContact CG-CD2 4.02Å; F419-K813 CarbonylContact C-O 3.58Å; F419-K813 VanDerWaalsContact CA-O 3.23Å; F419-K813 WeakPolarHBondContact CA-O 3.33Å; F419-K813 HydrophobicContact CD1-CB 4.08Å; F419-K813 HydrophobicContact CE1-CB 4.12Å; F419-K813 HydrophobicContact CE1-CD 4.49Å |
| 420 | G | 93.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 154.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | F408 V422 K813 | F408-G420 WeakPolarHBondContact O-CA 3.27Å; G420-V422 PolarHBondContact O-N 2.85Å; G420-K813 PolarHBondContact N-O 3.31Å |
| 421 | Y | 95.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -78.9 | 60.8 | -179.6 | -59.5 | -78.9 | 0 | 0 | 0 | 112 | F408 K423 I425 P724 A814 P815 T817 | F408-Y421 HydrophobicContact CB-CD2 3.94Å; F408-Y421 HydrophobicContact CB-CE2 3.73Å; F408-Y421 PolarHBondContact O-N 2.78Å; F408-Y421 VanDerWaalsContact O-N 3.16Å; Y421-K423 CarbonylContact C-O 3.59Å; Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 HydrophobicContact CD1-CG1 4.16Å; Y421-I425 HydrophobicContact CE1-CD1 3.63Å; Y421-I425 HydrophobicContact CE1-CG1 4.17Å; Y421-P724 VanDerWaalsContact OH-CB 3.3Å; Y421-P724 WeakPolarHBondContact OH-CB 3.46Å; Y421-P724 VanDerWaalsContact OH-CG 3.27Å; Y421-P724 WeakPolarHBondContact OH-CG 3.46Å; Y421-A814 HydrophobicContact CD1-CB 3.78Å; Y421-A814 HydrophobicContact CE1-CB 4.09Å; Y421-P815 HydrophobicContact CE1-CG 4.42Å; Y421-P815 HydrophobicContact CE2-CG 3.95Å; Y421-T817 PolarHBondContact OH-OG1 2.74Å | ||
| 422 | V | 93.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 20.3 Ų | 20.3 | 9% | 0.085 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -66.4 | -42.4 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | C372 F375 G420 A805 V807 V812 | C372-V422 HydrophobicContact CB-CG1 4.06Å; F375-V422 HydrophobicContact CD2-CG1 4.38Å; F375-V422 VanDerWaalsContact CD2-O 3.26Å; F375-V422 WeakPolarHBondContact CD2-O 3.36Å; G420-V422 PolarHBondContact O-N 2.85Å; V422-A805 HydrophobicContact CB-CB 4.2Å; V422-A805 HydrophobicContact CG1-CB 3.82Å; V422-V807 HydrophobicContact CG1-CG2 3.83Å; V422-V807 HydrophobicContact CG2-CG2 4.25Å; V422-V812 HydrophobicContact CG2-CB 4.03Å; V422-V812 HydrophobicContact CG2-CG1 3.7Å; V422-V812 HydrophobicContact CG2-CG2 4.5Å |
| 423 | K | 93.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -84.4 | 113.8 | 155.8 | -171.8 | -168.3 | -179.8 | -160.6 | 0 | 106.5 | F375 Y421 Q473 S802 M803 | F375-K423 HydrophobicContact CE2-CB 3.86Å; F375-K423 HydrophobicContact CE2-CG 4.17Å; F375-K423 HydrophobicContact CZ-CB 4.44Å; F375-K423 HydrophobicContact CZ-CG 4.27Å; Y421-K423 CarbonylContact C-O 3.59Å; K423-Q473 HydrophobicContact CD-CG 4.43Å; K423-S802 VanDerWaalsContact CD-O 3.25Å; K423-S802 WeakPolarHBondContact CD-O 3.42Å; K423-S802 PolarHBondContact NZ-O 3.47Å; K423-S802 PolarHBondContact NZ-OG 3.43Å; K423-M803 HydrophobicContact CD-CE 4.19Å; K423-M803 HydrophobicContact CD-SD 3.76Å; K423-M803 HydrophobicContact CG-CE 4.33Å; K423-M803 HydrophobicContact CG-SD 4.5Å; K423-M803 PolarHBondContact NZ-SD 2.71Å; K423-M803 VanDerWaalsContact NZ-SD 3.44Å |
| 424 | P | 96.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.013 | 7% | 0.073 | C | C | . | . | trans | -75.5 | 162.3 | -174 | 32 | -36.3 | 0 | 0 | 0 | 111.9 | N312 S351 V381 | N312-P424 VanDerWaalsContact CB-O 3.3Å; N312-P424 WeakPolarHBondContact CB-O 3.5Å; S351-P424 CarbonylContact O-C 3.49Å; S351-P424 VanDerWaalsContact O-CA 3.25Å; S351-P424 WeakPolarHBondContact O-CA 3.24Å; S351-P424 WeakPolarHBondContact O-CB 3.13Å; V381-P424 HydrophobicContact CG1-CB 3.7Å; V381-P424 HydrophobicContact CG1-CG 3.91Å; V381-P424 HydrophobicContact CG2-CG 4.35Å | ||
| 425 | I | 98.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 9.7 Ų | 9.7 | 2% | 0.015 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.8 | 161 | -60.5 | 176.1 | 0 | 0 | 0 | 108 | N312 Y350 S351 Y421 F427 M764 M803 T817 | N312-I425 VanDerWaalsContact OD1-CA 3.32Å; N312-I425 WeakPolarHBondContact OD1-CA 3.38Å; Y350-I425 WeakPolarHBondContact CA-O 3.43Å; S351-I425 PolarHBondContact N-O 2.78Å; S351-I425 PolarHBondContact O-N 2.89Å; Y421-I425 HydrophobicContact CD1-CD1 4.14Å; Y421-I425 HydrophobicContact CD1-CG1 4.16Å; Y421-I425 HydrophobicContact CE1-CD1 3.63Å; Y421-I425 HydrophobicContact CE1-CG1 4.17Å; I425-F427 HydrophobicContact CG2-CB 4.16Å; I425-M764 HydrophobicContact CD1-CB 3.57Å; I425-M764 HydrophobicContact CD1-CE 4.19Å; I425-M764 HydrophobicContact CD1-CG 3.84Å; I425-M764 HydrophobicContact CG1-CB 4.09Å; I425-M764 HydrophobicContact CG1-CG 4.02Å; I425-M764 HydrophobicContact CG2-CE 4.32Å; I425-M764 HydrophobicContact CG2-CG 4.27Å; I425-M803 HydrophobicContact CG1-CE 3.67Å; I425-T817 HydrophobicContact CD1-CG2 3.75Å |
| 426 | M | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 114.6 | 160.9 | -174.9 | -77.3 | 165.3 | 0 | 0 | 106.5 | T310 H311 N312 T315 A323 V327 Y350 A389 T428 | T310-M426 CarbonylContact C-O 3.54Å; T310-M426 WeakPolarHBondContact CA-O 3.29Å; T310-M426 WeakPolarHBondContact CB-O 3.44Å; H311-M426 HydrophobicContact CB-SD 4.12Å; H311-M426 PolarHBondContact N-O 3.43Å; N312-M426 PolarHBondContact OD1-N 2.62Å; N312-M426 PolarHBondContact OD1-O 2.73Å; T315-M426 HydrophobicContact CG2-CB 3.94Å; T315-M426 HydrophobicContact CG2-CG 4.28Å; A323-M426 HydrophobicContact CB-CE 4.08Å; A323-M426 HydrophobicContact CB-CG 3.89Å; A323-M426 HydrophobicContact CB-SD 4.45Å; V327-M426 HydrophobicContact CG2-CE 4.03Å; Y350-M426 HydrophobicContact CE1-CG 4.3Å; A389-M426 HydrophobicContact CB-CE 4.02Å; M426-T428 HydrophobicContact CE-CG2 4.28Å |
| 427 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.9 | -176.1 | 169.5 | -88.5 | 0 | 0 | 0 | 109.8 | A308 T310 A348 G349 F404 I425 A429 I720 N762 V819 T821 | A308-F427 HydrophobicContact CB-CE2 3.8Å; A308-F427 HydrophobicContact CB-CZ 3.8Å; T310-F427 HydrophobicContact CG2-CB 4.31Å; T310-F427 HydrophobicContact CG2-CD2 3.97Å; A348-F427 CarbonylContact C-O 3.41Å; A348-F427 WeakPolarHBondContact CA-O 3.19Å; G349-F427 PolarHBondContact N-O 3.5Å; G349-F427 PolarHBondContact O-N 3.39Å; F404-F427 HydrophobicContact CE1-CB 4.16Å; F404-F427 AromaticContact CE1-CD1 3.72Å; F404-F427 HydrophobicContact CE1-CD1 3.72Å; F404-F427 HydrophobicContact CE1-CE1 4.35Å; F404-F427 AromaticContact CE1-CG 3.99Å; F404-F427 HydrophobicContact CE1-CG 3.99Å; F404-F427 HydrophobicContact CZ-CB 4.08Å; F404-F427 HydrophobicContact CZ-CD1 4.47Å; F404-F427 HydrophobicContact CZ-CG 4.34Å; I425-F427 HydrophobicContact CG2-CB 4.16Å; F427-A429 HydrophobicContact CE1-CB 4.02Å; F427-A429 HydrophobicContact CZ-CB 3.94Å; F427-I720 HydrophobicContact CE1-CD1 4.03Å; F427-N762 HydrophobicContact CD2-CB 4.37Å; F427-N762 HydrophobicContact CE2-CB 4Å; F427-V819 HydrophobicContact CD2-CB 4.41Å; F427-V819 HydrophobicContact CD2-CG1 4.21Å; F427-V819 HydrophobicContact CE1-CG1 4.18Å; F427-V819 HydrophobicContact CE2-CB 4.22Å; F427-V819 HydrophobicContact CE2-CG1 3.77Å; F427-V819 HydrophobicContact CZ-CG1 3.77Å; F427-T821 WeakPolarHBondContact CZ-OG1 3.42Å |
| 428 | T | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.012 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 138.2 | 166.6 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | A308 E309 G326 V327 R330 A347 M426 | A308-T428 CarbonylContact C-O 3.53Å; A308-T428 VanDerWaalsContact CA-O 3.29Å; A308-T428 WeakPolarHBondContact CA-O 3.2Å; E309-T428 HydrophobicContact CB-CG2 4.21Å; E309-T428 PolarHBondContact N-O 2.87Å; E309-T428 PolarHBondContact O-N 3.17Å; G326-T428 WeakPolarHBondContact O-CG2 3.07Å; V327-T428 HydrophobicContact CG2-CG2 4.49Å; R330-T428 HydrophobicContact CB-CG2 3.97Å; R330-T428 HydrophobicContact CG-CG2 4.09Å; R330-T428 PolarHBondContact NE-OG1 3.3Å; R330-T428 PolarHBondContact NH2-OG1 3.44Å; A347-T428 WeakPolarHBondContact O-CA 3.47Å; A347-T428 WeakPolarHBondContact O-CB 3.36Å; A347-T428 PolarHBondContact O-OG1 2.99Å; M426-T428 HydrophobicContact CE-CG2 4.28Å |
| 429 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 152.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L306 T307 A308 A346 A347 F427 M718 T821 | L306-A429 HydrophobicContact CD1-CB 4.49Å; T307-A429 CarbonylContact O-C 3.56Å; T307-A429 VanDerWaalsContact O-CA 3.3Å; T307-A429 WeakPolarHBondContact O-CA 3.45Å; A308-A429 HydrophobicContact CB-CB 3.8Å; A346-A429 CarbonylContact C-O 3.58Å; A346-A429 WeakPolarHBondContact CA-O 3.38Å; A346-A429 WeakPolarHBondContact CB-O 3.43Å; A347-A429 HydrophobicContact CB-CB 4.14Å; A347-A429 PolarHBondContact N-O 3.3Å; A347-A429 PolarHBondContact O-N 3.17Å; F427-A429 HydrophobicContact CE1-CB 4.02Å; F427-A429 HydrophobicContact CZ-CB 3.94Å; A429-M718 HydrophobicContact CB-SD 4.44Å; A429-T821 HydrophobicContact CB-CG2 4.16Å |
| 430 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 114 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L306 T307 | L306-G430 WeakPolarHBondContact CA-O 3.43Å; T307-G430 PolarHBondContact N-O 2.79Å; T307-G430 PolarHBondContact O-N 3.38Å |
| 431 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.8 | 173.5 | -172.1 | 66.6 | 0 | 0 | 0 | 108.1 | I304 L306 I344 A345 V706 A716 M718 | I304-L431 HydrophobicContact CG2-CD1 4.02Å; L306-L431 HydrophobicContact CD1-CD1 4.3Å; I344-L431 PolarHBondContact N-O 3.02Å; I344-L431 VanDerWaalsContact N-O 3.09Å; A345-L431 PolarHBondContact N-O 3.42Å; A345-L431 WeakPolarHBondContact O-CA 3.42Å; A345-L431 WeakPolarHBondContact O-CB 3.18Å; A345-L431 PolarHBondContact O-N 3.39Å; A345-L431 VanDerWaalsContact O-O 3.12Å; L431-V706 HydrophobicContact CD2-CG1 4.35Å; L431-V706 HydrophobicContact CD2-CG2 3.7Å; L431-V706 HydrophobicContact CG-CG2 4.33Å; L431-A716 HydrophobicContact CD1-CB 4.16Å; L431-A716 HydrophobicContact CD2-CB 4.1Å; L431-A716 HydrophobicContact CG-CB 4.36Å; L431-M718 HydrophobicContact CB-CE 4.33Å; L431-M718 HydrophobicContact CB-SD 4.14Å; L431-M718 HydrophobicContact CD1-CB 4.47Å; L431-M718 HydrophobicContact CD2-CB 4.03Å |
| 432 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | -170.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L305 Y342 | L305-G432 PolarHBondContact N-O 3.19Å; L305-G432 PolarHBondContact O-N 2.93Å; Y342-G432 CarbonylContact O-C 3.51Å; Y342-G432 WeakPolarHBondContact O-CA 3.46Å |
| 433 | S | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 156.5 | 174.1 | 68 | 0 | 0 | 0 | 0 | 113.3 | H303 A341 Y342 | H303-S433 CarbonylContact O-C 3.51Å; H303-S433 WeakPolarHBondContact O-CA 3.31Å; H303-S433 VanDerWaalsContact O-CB 3.27Å; H303-S433 WeakPolarHBondContact O-CB 3.33Å; A341-S433 WeakPolarHBondContact CB-O 3.29Å; Y342-S433 WeakPolarHBondContact CD2-O 3.29Å; Y342-S433 PolarHBondContact N-O 2.6Å; Y342-S433 PolarHBondContact O-N 2.81Å |
| 434 | I | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.7 | 179.1 | -170.9 | 169.9 | 0 | 0 | 0 | 110.8 | I267 A275 H303 T337 A341 N438 V439 | I267-I434 HydrophobicContact CD1-CD1 4.29Å; A275-I434 HydrophobicContact CB-CG2 4.43Å; H303-I434 HydrophobicContact CB-CG2 3.79Å; H303-I434 PolarHBondContact N-O 2.97Å; H303-I434 PolarHBondContact O-N 2.93Å; T337-I434 HydrophobicContact CG2-CD1 4.34Å; A341-I434 HydrophobicContact CB-CB 3.81Å; A341-I434 HydrophobicContact CB-CD1 4.05Å; A341-I434 HydrophobicContact CB-CG1 3.88Å; I434-N438 HydrophobicContact CD1-CB 4.5Å; I434-N438 HydrophobicContact CG1-CB 4.26Å; I434-V439 HydrophobicContact CG2-CG2 4.42Å |
| 435 | D | 96.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.6 | 173.1 | -170.4 | -57.6 | 0 | 0 | 0 | 109.5 | R285 A437 N438 R510 | R285-D435 IonicContact CZ-OD2 3.26Å; R285-D435 VanDerWaalsContact CZ-OD2 3.27Å; R285-D435 IonicContact NH1-OD2 3.76Å; R285-D435 PolarHBondContact NH1-OD2 3.07Å; R285-D435 IonicContact NH2-OD2 2.83Å; R285-D435 PolarHBondContact NH2-OD2 2.86Å; D435-A437 PolarHBondContact O-N 3.3Å; D435-A437 VanDerWaalsContact OD1-CB 3.32Å; D435-A437 WeakPolarHBondContact OD1-CB 3.47Å; D435-A437 PolarHBondContact OD1-N 3Å; D435-N438 PolarHBondContact O-N 2.85Å; D435-R510 IonicContact OD2-NE 3.19Å; D435-R510 PolarHBondContact OD2-NE 2.92Å |
| 436 | G | 96 | Very high | 96.8 | Very high | 29 Ų | 29 | 33 Ų | 33 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -23.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L301 | L301-G436 PolarHBondContact O-N 2.97Š|
| 437 | A | 95.2 | Very high | 96.7 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 36% | 0.355 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -19.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R339 D435 | R339-A437 PolarHBondContact NH1-O 2.96Å; R339-A437 VanDerWaalsContact NH1-O 3.08Å; R339-A437 PolarHBondContact NH2-O 3.39Å; D435-A437 PolarHBondContact O-N 3.3Å; D435-A437 VanDerWaalsContact OD1-CB 3.32Å; D435-A437 WeakPolarHBondContact OD1-CB 3.47Å; D435-A437 PolarHBondContact OD1-N 3Å |
| 438 | N | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -3 | -173.7 | -66.8 | -26.6 | 0 | 0 | 0 | 113.8 | G338 R339 I434 D435 R440 A507 N513 | G338-N438 CarbonylContact C-O 3.32Å; G338-N438 WeakPolarHBondContact CA-O 3.38Å; R339-N438 HydrophobicContact CB-CB 4.33Å; R339-N438 PolarHBondContact N-O 3.07Å; R339-N438 PolarHBondContact NH2-OD1 3.03Å; I434-N438 HydrophobicContact CD1-CB 4.5Å; I434-N438 HydrophobicContact CG1-CB 4.26Å; D435-N438 PolarHBondContact O-N 2.85Å; N438-R440 PolarHBondContact O-N 3Å; N438-A507 WeakPolarHBondContact ND2-CA 3.45Å; N438-A507 WeakPolarHBondContact ND2-CB 3.42Å; N438-A507 PolarHBondContact ND2-O 3.34Å; N438-N513 PolarHBondContact OD1-ND2 3.27Å |
| 439 | V | 96.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 40 Ų | 40 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -53.4 | -29.8 | -175.5 | 173.8 | 0 | 0 | 0 | 0 | 115 | V266 I267 I434 | V266-V439 HydrophobicContact CB-CG1 4.2Å; V266-V439 HydrophobicContact CG2-CG1 4.48Å; I267-V439 HydrophobicContact CD1-CG1 4.18Å; I267-V439 HydrophobicContact CG1-CG1 3.82Å; I434-V439 HydrophobicContact CG2-CG2 4.42Å |
| 440 | R | 95 | Very high | 96.7 | Very high | 203 Ų | 203 | 40 Ų | 40 | 77% | 0.766 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -112.4 | 120.9 | -175.2 | -65.4 | -173.9 | 178.5 | -164.9 | -1.3 | 111.9 | R339 N438 | R339-R440 VanDerWaalsContact CD-O 3.32Å; R339-R440 WeakPolarHBondContact CD-O 3.34Å; R339-R440 VanDerWaalsContact CG-O 3.26Å; R339-R440 WeakPolarHBondContact CG-O 3.37Å; R339-R440 PolarHBondContact NH1-O 2.94Å; N438-R440 PolarHBondContact O-N 3Å |
| 441 | K | 95.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 40 Ų | 40 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 137.2 | 160.7 | -71.6 | 175.3 | -178.7 | -177.3 | 0 | 109.7 | D271 A336 G338 I518 | D271-K441 WeakPolarHBondContact OD1-CE 3.45Å; D271-K441 IonicContact OD1-NZ 2.74Å; D271-K441 PolarHBondContact OD1-NZ 3.46Å; D271-K441 WeakPolarHBondContact OD2-CE 3.45Å; D271-K441 IonicContact OD2-NZ 3.34Å; A336-K441 WeakPolarHBondContact O-CE 3.46Å; A336-K441 PolarHBondContact O-NZ 2.99Å; G338-K441 WeakPolarHBondContact O-CE 3.15Å; G338-K441 WeakPolarHBondContact O-CG 3.09Å; K441-I518 WeakPolarHBondContact CE-O 3.12Å; K441-I518 PolarHBondContact NZ-O 2.84Å |
| 442 | N | 95.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -86.9 | 146.5 | 173.7 | -59.8 | -23.2 | 0 | 0 | 0 | 109.4 | S516 | N442-S516 VanDerWaalsContact CB-O 3.3Å; N442-S516 WeakPolarHBondContact CB-O 3.34Å; N442-S516 PolarHBondContact N-O 3.25Å |
| 443 | S | 94.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 40.3 Ų | 40.3 | 67% | 0.671 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 149.1 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 444 | P | 96.5 | Very high | 96.7 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 143.5 | 175.2 | 25.8 | -34.7 | 0 | 0 | 0 | 111.9 | E535 L537 L570 V596 | P444-E535 WeakPolarHBondContact CG-O 3.35Å; P444-L537 HydrophobicContact CB-CD1 4.26Å; P444-L537 HydrophobicContact CG-CD1 4.45Å; P444-L537 HydrophobicContact CG-CG 4.48Å; P444-L537 WeakPolarHBondContact O-CD1 3.43Å; P444-L570 HydrophobicContact CB-CD1 3.66Å; P444-V596 HydrophobicContact CB-CG1 4.15Å |
| 445 | V | 96.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | trans | -127.4 | 145.4 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | M448 V596 | V445-M448 HydrophobicContact CB-CE 3.94Å; V445-M448 HydrophobicContact CB-CG 4.14Å; V445-M448 HydrophobicContact CB-SD 3.95Å; V445-M448 HydrophobicContact CG2-CE 3.81Å; V445-M448 HydrophobicContact CG2-SD 4.27Å; V445-M448 PolarHBondContact N-SD 3.06Å; V445-M448 VanDerWaalsContact N-SD 3.39Å; V445-M448 WeakPolarHBondContact O-CB 3.25Å; V445-M448 WeakPolarHBondContact O-CG 3.41Å; V445-M448 PolarHBondContact O-N 3.38Å; V445-V596 WeakPolarHBondContact O-CB 3.22Å; V445-V596 VanDerWaalsContact O-CG1 3.28Å; V445-V596 WeakPolarHBondContact O-CG1 3.35Å | ||
| 446 | N | 96.8 | Very high | 96.2 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 31% | 0.305 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 146.2 | 175.8 | -158.6 | 89.8 | 0 | 0 | 0 | 111.2 | M448 T597 N598 | N446-M448 PolarHBondContact O-N 2.87Å; N446-M448 VanDerWaalsContact O-N 3.15Å; N446-T597 WeakPolarHBondContact OD1-CA 3.36Å; N446-N598 VanDerWaalsContact OD1-CB 3.31Å; N446-N598 WeakPolarHBondContact OD1-CB 3.31Å; N446-N598 PolarHBondContact OD1-N 2.72Å |
| 447 | D | 96.1 | Very high | 96 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -2.2 | -177.3 | -71.7 | -74.3 | 0 | 0 | 0 | 117.2 | K595 V596 | D447-K595 IonicContact OD1-NZ 2.92Å; D447-K595 PolarHBondContact OD1-NZ 2.99Å; D447-V596 PolarHBondContact N-O 3.42Å |
| 448 | M | 97.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 140.4 | 163.2 | -77 | -178.7 | 165.4 | 0 | 0 | 110.2 | V445 N446 L570 K595 V596 | V445-M448 HydrophobicContact CB-CE 3.94Å; V445-M448 HydrophobicContact CB-CG 4.14Å; V445-M448 HydrophobicContact CB-SD 3.95Å; V445-M448 HydrophobicContact CG2-CE 3.81Å; V445-M448 HydrophobicContact CG2-SD 4.27Å; V445-M448 PolarHBondContact N-SD 3.06Å; V445-M448 VanDerWaalsContact N-SD 3.39Å; V445-M448 WeakPolarHBondContact O-CB 3.25Å; V445-M448 WeakPolarHBondContact O-CG 3.41Å; V445-M448 PolarHBondContact O-N 3.38Å; N446-M448 PolarHBondContact O-N 2.87Å; N446-M448 VanDerWaalsContact O-N 3.15Å; M448-L570 HydrophobicContact SD-CB 4.2Å; M448-L570 HydrophobicContact SD-CD1 4.45Å; M448-K595 WeakPolarHBondContact O-CA 3.39Å; M448-V596 HydrophobicContact CB-CB 4.28Å; M448-V596 HydrophobicContact CB-CG2 3.95Å; M448-V596 PolarHBondContact O-N 2.98Å |
| 449 | F | 98.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 20% | 0.197 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136.2 | 173.2 | -71.9 | -70.4 | 0 | 0 | 0 | 110.1 | I451 L570 V571 V576 I592 K595 | F449-I451 HydrophobicContact CB-CD1 4.46Å; F449-I451 HydrophobicContact CB-CG1 4.27Å; F449-L570 WeakPolarHBondContact O-CA 3.45Å; F449-V571 PolarHBondContact N-O 3.2Å; F449-V571 PolarHBondContact O-N 3.13Å; F449-V576 HydrophobicContact CD2-CB 3.9Å; F449-V576 HydrophobicContact CD2-CG1 4.09Å; F449-V576 HydrophobicContact CD2-CG2 3.93Å; F449-V576 HydrophobicContact CE2-CB 4.21Å; F449-V576 HydrophobicContact CE2-CG1 3.87Å; F449-V576 HydrophobicContact CE2-CG2 4.37Å; F449-V576 HydrophobicContact CG-CG2 4.42Å; F449-I592 HydrophobicContact CB-CG2 4.24Å; F449-I592 HydrophobicContact CD1-CG2 3.36Å; F449-I592 HydrophobicContact CE1-CG2 3.92Å; F449-I592 HydrophobicContact CG-CG2 4.04Å; F449-K595 HydrophobicContact CD1-CG 3.97Å; F449-K595 HydrophobicContact CE1-CG 4.23Å |
| 450 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.3 | 164.8 | -175.3 | 0 | 0 | 0 | 0 | 106.7 | I530 V534 A539 L541 L570 V593 G594 V596 | V450-I530 HydrophobicContact CG1-CG2 3.89Å; V450-V534 HydrophobicContact CG2-CG1 4.25Å; V450-A539 HydrophobicContact CG2-CB 4.01Å; V450-L541 HydrophobicContact CB-CD2 4.05Å; V450-L541 HydrophobicContact CG1-CD2 4.04Å; V450-L541 HydrophobicContact CG2-CD2 4.29Å; V450-L570 HydrophobicContact CG2-CD2 3.92Å; V450-V593 HydrophobicContact CB-CG2 4.27Å; V450-V593 HydrophobicContact CG1-CG2 3.93Å; V450-V593 WeakPolarHBondContact O-CG2 3.33Å; V450-V593 PolarHBondContact O-N 2.95Å; V450-G594 PolarHBondContact N-O 2.92Å; V450-G594 PolarHBondContact O-N 2.89Å; V450-V596 HydrophobicContact CG2-CG2 3.99Å |
| 451 | I | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.6 | -177.3 | -66 | 173.6 | 0 | 0 | 0 | 109.5 | F449 A568 L569 V571 V576 D591 I592 | F449-I451 HydrophobicContact CB-CD1 4.46Å; F449-I451 HydrophobicContact CB-CG1 4.27Å; I451-A568 CarbonylContact O-C 3.56Å; I451-A568 WeakPolarHBondContact O-CA 3.15Å; I451-L569 HydrophobicContact CB-CB 4.4Å; I451-L569 HydrophobicContact CG2-CD1 4.3Å; I451-L569 PolarHBondContact N-O 3.31Å; I451-L569 PolarHBondContact O-N 3.03Å; I451-V571 HydrophobicContact CD1-CB 4Å; I451-V571 HydrophobicContact CD1-CG2 3.71Å; I451-V576 HydrophobicContact CD1-CG2 4.02Å; I451-D591 CarbonylContact C-O 3.43Å; I451-D591 VanDerWaalsContact CA-O 3.31Å; I451-D591 WeakPolarHBondContact CA-O 3.2Å; I451-I592 HydrophobicContact CG1-CG1 4.25Å |
| 452 | K | 97.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.6 | 163.3 | -76.9 | -66.1 | -61.7 | 167.2 | 0 | 109.1 | N526 F546 Y563 S566 D567 A568 C590 D591 V593 | K452-N526 VanDerWaalsContact CD-OD1 3.26Å; K452-N526 WeakPolarHBondContact CD-OD1 3.22Å; K452-N526 VanDerWaalsContact CE-OD1 3.27Å; K452-N526 WeakPolarHBondContact CE-OD1 3.29Å; K452-F546 HydrophobicContact CG-CD1 4.29Å; K452-F546 HydrophobicContact CG-CE1 3.86Å; K452-Y563 WeakPolarHBondContact CE-OH 3.07Å; K452-S566 WeakPolarHBondContact CE-OG 3.12Å; K452-S566 PolarHBondContact NZ-OG 3.01Å; K452-D567 WeakPolarHBondContact CD-O 3.16Å; K452-D567 WeakPolarHBondContact CE-O 3.4Å; K452-D567 PolarHBondContact NZ-O 3Å; K452-A568 HydrophobicContact CD-CB 3.98Å; K452-C590 CarbonylContact O-C 3.6Å; K452-C590 WeakPolarHBondContact O-CA 3.48Å; K452-D591 HydrophobicContact CB-CB 4.35Å; K452-D591 PolarHBondContact N-O 3.37Å; K452-D591 PolarHBondContact O-N 3.4Å; K452-V593 HydrophobicContact CB-CG1 4.05Å; K452-V593 HydrophobicContact CG-CG1 3.91Å; K452-V593 HydrophobicContact CG-CG2 4.03Å |
| 453 | L | 97.6 | Very high | 90 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 150.7 | -177.3 | -170.4 | 71.6 | 0 | 0 | 0 | 108.9 | L499 V502 I503 S566 D567 L569 A583 Y589 C590 | L453-L499 HydrophobicContact CB-CD1 3.93Å; L453-L499 HydrophobicContact CD2-CD1 3.55Å; L453-L499 HydrophobicContact CG-CD1 3.55Å; L453-V502 HydrophobicContact CD1-CG1 4.01Å; L453-V502 HydrophobicContact CD2-CB 4.16Å; L453-V502 HydrophobicContact CD2-CG1 3.78Å; L453-I503 HydrophobicContact CD2-CD1 4.45Å; L453-I503 HydrophobicContact CD2-CG1 4.01Å; L453-S566 CarbonylContact O-C 3.55Å; L453-S566 WeakPolarHBondContact O-CA 3.5Å; L453-S566 WeakPolarHBondContact O-CB 3.18Å; L453-S566 PolarHBondContact O-OG 2.72Å; L453-D567 PolarHBondContact N-O 3.35Å; L453-D567 VanDerWaalsContact N-O 3.15Å; L453-D567 PolarHBondContact O-N 2.84Å; L453-L569 HydrophobicContact CB-CD1 3.4Å; L453-L569 HydrophobicContact CD2-CD1 3.94Å; L453-L569 HydrophobicContact CD2-CD2 4.2Å; L453-L569 HydrophobicContact CG-CD1 4.29Å; L453-A583 HydrophobicContact CD1-CB 4.26Å; L453-Y589 WeakPolarHBondContact CA-O 3.49Å; L453-Y589 WeakPolarHBondContact CD1-O 3.35Å; L453-C590 HydrophobicContact CD1-CB 3.79Å |
| 454 | G | 96.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.6 | -131.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E565 C588 Y589 | G454-E565 CarbonylContact C-O 3.54Å; G454-E565 VanDerWaalsContact CA-O 3.24Å; G454-E565 WeakPolarHBondContact CA-O 3.47Å; G454-C588 VanDerWaalsContact CA-SG 3.55Å; G454-C588 PolarHBondContact N-SG 2.97Å; G454-Y589 PolarHBondContact N-O 2.84Å; G454-Y589 WeakPolarHBondContact O-CB 3.5Å; G454-Y589 WeakPolarHBondContact O-CD2 3.2Å |
| 455 | G | 92 | Very high | 86.2 | Confident | 9 Ų | 9 | 22.8 Ų | 22.8 | 9% | 0.093 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -79.5 | 150.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E565 | G455-E565 PolarHBondContact N-O 2.85Š|
| 456 | P | 92.5 | Very high | 84.4 | Confident | 15 Ų | 15 | 19.1 Ų | 19.1 | 10% | 0.097 | 10% | 0.103 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 159.9 | 179 | 34.9 | -37.4 | 0 | 0 | 0 | 112.4 | F458 T547 | P456-F458 HydrophobicContact CG-CE2 3.8Å; P456-F458 HydrophobicContact CG-CZ 4.02Å; P456-F458 WeakPolarHBondContact O-CD2 3.35Å; P456-F458 PolarHBondContact O-N 2.8Å; P456-T547 CarbonylContact C-O 3.49Å; P456-T547 VanDerWaalsContact CA-O 3.3Å; P456-T547 WeakPolarHBondContact CA-O 3.21Å; P456-T547 HydrophobicContact CB-CG2 3.78Å; P456-T547 VanDerWaalsContact CB-O 3.25Å; P456-T547 WeakPolarHBondContact CB-O 3.02Å |
| 457 | V | 91.9 | Very high | 82.5 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 121.8 | -174.1 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | F546 T547 L548 G549 D550 V553 L558 Y563 | V457-F546 HydrophobicContact CG2-CB 3.98Å; V457-F546 HydrophobicContact CG2-CD1 4.18Å; V457-T547 PolarHBondContact N-O 3.26Å; V457-L548 HydrophobicContact CB-CD2 3.96Å; V457-L548 HydrophobicContact CG1-CD2 4.48Å; V457-L548 HydrophobicContact CG2-CD2 4.1Å; V457-G549 WeakPolarHBondContact O-CA 3.36Å; V457-G549 PolarHBondContact O-N 2.95Å; V457-D550 PolarHBondContact O-N 3.35Å; V457-V553 HydrophobicContact CG1-CG1 3.88Å; V457-V553 HydrophobicContact CG1-CG2 4.32Å; V457-L558 HydrophobicContact CG1-CB 4.36Å; V457-Y563 HydrophobicContact CB-CE1 4.28Å; V457-Y563 HydrophobicContact CG1-CD1 4.05Å; V457-Y563 HydrophobicContact CG1-CE1 3.87Å; V457-Y563 HydrophobicContact CG2-CE1 4.05Å; V457-Y563 HydrophobicContact CG2-CE2 4.34Å |
| 458 | F | 86.9 | Confident | 80.6 | Confident | 16 Ų | 16 | 15.4 Ų | 15.4 | 7% | 0.07 | 9% | 0.089 | C | C | . | . | trans | -121.7 | 156.9 | 174.5 | -69.1 | -72.1 | 0 | 0 | 0 | 112.1 | V97 P456 V460 G549 | V97-F458 HydrophobicContact CB-CD1 4.37Å; V97-F458 HydrophobicContact CB-CE1 3.72Å; V97-F458 HydrophobicContact CG1-CE1 4.07Å; V97-F458 HydrophobicContact CG1-CZ 4.48Å; V97-F458 HydrophobicContact CG2-CE1 4.21Å; P456-F458 HydrophobicContact CG-CE2 3.8Å; P456-F458 HydrophobicContact CG-CZ 4.02Å; P456-F458 WeakPolarHBondContact O-CD2 3.35Å; P456-F458 PolarHBondContact O-N 2.8Å; F458-V460 VanDerWaalsContact C-N 3.31Å; F458-V460 HydrophobicContact CB-CG2 3.9Å; F458-V460 PolarHBondContact O-N 2.88Å; F458-G549 VanDerWaalsContact CE1-CA 3.42Å; F458-G549 WeakPolarHBondContact CE1-O 3.21Å | ||
| 459 | R | 80.7 | Confident | 78.5 | Confident | 72 Ų | 72 | 15 Ų | 15 | 27% | 0.272 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -79.9 | 73.5 | 175.7 | -54.7 | 178.7 | 70.7 | 154.3 | 12.1 | 110.4 | D550 V553 E557 | R459-D550 WeakPolarHBondContact CD-OD2 3.45Å; R459-V553 HydrophobicContact CG-CG2 3.66Å; R459-E557 IonicContact CZ-OE1 2.94Å; R459-E557 IonicContact CZ-OE2 3.75Å; R459-E557 IonicContact NE-OE1 3.45Å; R459-E557 PolarHBondContact NE-OE1 3.3Å; R459-E557 IonicContact NE-OE2 3.78Å; R459-E557 PolarHBondContact NE-OE2 3.03Å; R459-E557 IonicContact NH2-OE1 2.73Å; R459-E557 PolarHBondContact NH2-OE1 3.31Å; R459-E557 IonicContact NH2-OE2 2.9Å; R459-E557 PolarHBondContact NH2-OE2 2.82Å |
| 460 | V | 76.9 | Confident | 76.7 | Confident | 10 Ų | 10 | 14.1 Ų | 14.1 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | trans | -138.4 | 138.4 | -172.2 | 177.1 | 0 | 0 | 0 | 0 | 110 | F96 F458 R490 A561 E562 | F96-V460 HydrophobicContact CE2-CG2 4.37Å; F458-V460 VanDerWaalsContact C-N 3.31Å; F458-V460 HydrophobicContact CB-CG2 3.9Å; F458-V460 PolarHBondContact O-N 2.88Å; V460-R490 HydrophobicContact CG1-CB 4.08Å; V460-R490 HydrophobicContact CG2-CB 4.01Å; V460-A561 WeakPolarHBondContact O-CB 3.35Å; V460-E562 PolarHBondContact O-N 3.23Å | ||
| 461 | G | 69.1 | Low | 74.6 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | trans | 65.1 | 46.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G463 D486 E562 | G461-G463 PolarHBondContact O-N 2.98Å; G461-G463 VanDerWaalsContact O-N 3.12Å; G461-D486 WeakPolarHBondContact CA-O 3.27Å; G461-E562 WeakPolarHBondContact O-CB 3.22Å; G461-E562 WeakPolarHBondContact O-CG 3.4Å; G461-E562 PolarHBondContact O-N 3.23Å; G461-E562 VanDerWaalsContact O-N 3.15Å | ||
| 462 | M | 72.7 | Confident | 72.7 | Confident | 36 Ų | 36 | 19.9 Ų | 19.9 | 18% | 0.177 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -75.9 | 98.5 | 175.9 | -80.1 | -62.6 | -71.7 | 0 | 0 | 110.9 | F220 E557 A561 | F220-M462 HydrophobicContact CD1-CE 4.42Å; F220-M462 HydrophobicContact CE1-CE 3.93Å; F220-M462 HydrophobicContact CE2-CE 4.22Å; F220-M462 HydrophobicContact CZ-CE 3.82Å; M462-E557 HydrophobicContact CE-CG 3.99Å; M462-E557 HydrophobicContact CG-CG 4.13Å; M462-E557 HydrophobicContact SD-CB 4.19Å; M462-E557 HydrophobicContact SD-CG 3.78Å; M462-A561 HydrophobicContact CG-CB 4.49Å; M462-A561 HydrophobicContact SD-CB 3.77Å |
| 463 | G | 62.6 | Low | 71 | Confident | 7 Ų | 7 | 20.2 Ų | 20.2 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 29.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G461 G465 S466 A467 | G461-G463 PolarHBondContact O-N 2.98Å; G461-G463 VanDerWaalsContact O-N 3.12Å; G463-G465 VanDerWaalsContact C-N 3.26Å; G463-G465 PolarHBondContact O-N 3.32Å; G463-S466 PolarHBondContact O-N 3.41Å; G463-S466 VanDerWaalsContact O-N 3.14Å; G463-A467 PolarHBondContact O-N 3.47Å |
| 464 | G | 57.6 | Low | 69 | Low | 17 Ų | 17 | 21.7 Ų | 21.7 | 18% | 0.175 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.5 | -36.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A467 S468 E562 | G464-A467 PolarHBondContact O-N 3.24Å; G464-S468 VanDerWaalsContact O-CB 3.24Å; G464-S468 WeakPolarHBondContact O-CB 3.19Å; G464-S468 PolarHBondContact O-N 2.98Å; G464-S468 PolarHBondContact O-OG 2.67Å; G464-E562 WeakPolarHBondContact CA-OE2 3.28Å; G464-E562 PolarHBondContact N-OE1 2.98Å |
| 465 | G | 53.8 | Low | 66.7 | Low | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.5 | -51.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | G463 S468 S469 E562 | G463-G465 VanDerWaalsContact C-N 3.26Å; G463-G465 PolarHBondContact O-N 3.32Å; G465-S468 PolarHBondContact O-OG 3.33Å; G465-S468 VanDerWaalsContact O-OG 3.13Å; G465-S469 VanDerWaalsContact O-CB 3.27Å; G465-S469 WeakPolarHBondContact O-CB 2.98Å; G465-S469 PolarHBondContact O-N 2.99Å; G465-S469 PolarHBondContact O-OG 3.36Å; G465-E562 PolarHBondContact N-OE1 2.72Å |
| 466 | S | 57.7 | Low | 64.5 | Low | 5 Ų | 5 | 32.7 Ų | 32.7 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.5 | -72.4 | 0 | 0 | 0 | 0 | 112.6 | L192 Q224 G463 S468 S469 S470 | L192-S466 WeakPolarHBondContact O-CB 3.46Å; L192-S466 PolarHBondContact O-OG 3.34Å; Q224-S466 PolarHBondContact NE2-OG 2.89Å; Q224-S466 PolarHBondContact OE1-OG 2.86Å; G463-S466 PolarHBondContact O-N 3.41Å; G463-S466 VanDerWaalsContact O-N 3.14Å; S466-S468 PolarHBondContact O-N 2.98Å; S466-S469 WeakPolarHBondContact O-CB 3.48Å; S466-S469 PolarHBondContact O-N 2.73Å; S466-S470 PolarHBondContact O-N 3.16Å |
| 467 | A | 58.5 | Low | 62 | Low | 37 Ų | 37 | 37.7 Ų | 37.7 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.7 | -43.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F313 G463 G464 S469 S470 Q473 | F313-A467 HydrophobicContact CD1-CB 4.5Å; F313-A467 HydrophobicContact CE1-CB 3.84Å; F313-A467 HydrophobicContact CZ-CB 4.45Å; G463-A467 PolarHBondContact O-N 3.47Å; G464-A467 PolarHBondContact O-N 3.24Å; A467-S469 PolarHBondContact O-N 3.01Å; A467-S470 PolarHBondContact O-N 2.8Å; A467-S470 PolarHBondContact O-OG 3.25Å; A467-Q473 PolarHBondContact O-NE2 3.16Å |
| 468 | S | 54.8 | Low | 59.3 | Low | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67 | -23.7 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | G464 G465 S466 S802 | G464-S468 VanDerWaalsContact O-CB 3.24Å; G464-S468 WeakPolarHBondContact O-CB 3.19Å; G464-S468 PolarHBondContact O-N 2.98Å; G464-S468 PolarHBondContact O-OG 2.67Å; G465-S468 PolarHBondContact O-OG 3.33Å; G465-S468 VanDerWaalsContact O-OG 3.13Å; S466-S468 PolarHBondContact O-N 2.98Å; S468-S802 WeakPolarHBondContact O-CB 3.35Å; S468-S802 PolarHBondContact O-OG 2.86Å |
| 469 | S | 55.2 | Low | 56.7 | Low | 16 Ų | 16 | 51.1 Ų | 51.1 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.9 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 114.9 | G465 S466 A467 K768 | G465-S469 VanDerWaalsContact O-CB 3.27Å; G465-S469 WeakPolarHBondContact O-CB 2.98Å; G465-S469 PolarHBondContact O-N 2.99Å; G465-S469 PolarHBondContact O-OG 3.36Å; S466-S469 WeakPolarHBondContact O-CB 3.48Å; S466-S469 PolarHBondContact O-N 2.73Å; A467-S469 PolarHBondContact O-N 3.01Å; S469-K768 PolarHBondContact O-NZ 2.9Å |
| 470 | S | 59 | Low | 54.6 | Low | 26 Ų | 26 | 51.2 Ų | 51.2 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -60.6 | 157 | 179.2 | 80.1 | 0 | 0 | 0 | 0 | 112.6 | S466 A467 Q473 S802 | S466-S470 PolarHBondContact O-N 3.16Å; A467-S470 PolarHBondContact O-N 2.8Å; A467-S470 PolarHBondContact O-OG 3.25Å; S470-Q473 PolarHBondContact OG-NE2 3.5Å; S470-Q473 PolarHBondContact OG-OE1 3.45Å; S470-S802 WeakPolarHBondContact O-CB 3.3Å | ||
| 471 | M | 55.3 | Low | 52.5 | Low | 106 Ų | 106 | 60.8 Ų | 60.8 | 52% | 0.522 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -74.3 | -43 | -178.3 | -82.9 | -173.4 | 65.2 | 0 | 0 | 113.3 | K768 | M471-K768 HydrophobicContact CE-CB 4.26Å; M471-K768 HydrophobicContact CG-CB 4.16Å; M471-K768 HydrophobicContact CG-CD 3.75Å |
| 472 | V | 57.8 | Low | 51.4 | Low | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -135.5 | 122.3 | -177.1 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | E475 F769 N806 I811 | V472-E475 HydrophobicContact CB-CG 3.87Å; V472-E475 HydrophobicContact CG1-CG 3.85Å; V472-F769 HydrophobicContact CG2-CZ 3.99Å; V472-N806 HydrophobicContact CG1-CB 3.87Å; V472-I811 HydrophobicContact CG2-CD1 4.46Å |
| 473 | Q | 63 | Low | 50.4 | Low | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 137.8 | 176.2 | -58.6 | -64.3 | -4 | 0 | 0 | 110.1 | F313 F375 K423 A467 S470 N806 | F313-Q473 HydrophobicContact CD2-CG 3.99Å; F313-Q473 HydrophobicContact CE2-CG 4.29Å; F375-Q473 HydrophobicContact CE2-CB 4.19Å; F375-Q473 HydrophobicContact CZ-CB 3.62Å; F375-Q473 HydrophobicContact CZ-CG 4.1Å; K423-Q473 HydrophobicContact CD-CG 4.43Å; A467-Q473 PolarHBondContact O-NE2 3.16Å; S470-Q473 PolarHBondContact OG-NE2 3.5Å; S470-Q473 PolarHBondContact OG-OE1 3.45Å; Q473-N806 PolarHBondContact O-N 2.97Å |
| 474 | G | 54.1 | Low | 50.4 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 10.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 475 | E | 48.3 | Very low | 50.9 | Low | 104 Ų | 104 | 69.2 Ų | 69.2 | 49% | 0.486 | 39% | 0.386 | S | S | . | . | trans | -100.7 | 0.8 | 177.3 | -64.3 | -164 | 159 | 0 | 0 | 115.1 | V472 D477 N806 | V472-E475 HydrophobicContact CB-CG 3.87Å; V472-E475 HydrophobicContact CG1-CG 3.85Å; E475-D477 PolarHBondContact O-N 2.7Å; E475-N806 HydrophobicContact CG-CB 3.99Å; E475-N806 PolarHBondContact OE1-ND2 2.97Å | ||
| 476 | L | 46.3 | Very low | 51.5 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 71% | 0.712 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -59.9 | 138.4 | 171.4 | -75.8 | 172.2 | 0 | 0 | 0 | 110.7 | ||
| 477 | D | 39.2 | Very low | 51.8 | Low | 121 Ų | 121 | 74.6 Ų | 74.6 | 65% | 0.647 | 42% | 0.416 | S | S | * | . | trans | -64.5 | 154 | -147.4 | -136.8 | -33.7 | 0 | 0 | 0 | 115.2 | E475 A479 S480 | E475-D477 PolarHBondContact O-N 2.7Å; D477-A479 PolarHBondContact O-N 2.89Å; D477-S480 PolarHBondContact O-N 3.01Å; D477-S480 PolarHBondContact O-OG 2.94Å | ||
| 478 | K | 35 | Very low | 52.4 | Low | 201 Ų | 201 | 73.5 Ų | 73.5 | 87% | 0.874 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -7.3 | -176 | -70.5 | 172.4 | -179.1 | 166.1 | 0 | 114.7 | ||
| 479 | A | 33 | Very low | 53.6 | Low | 98 Ų | 98 | 73 Ų | 73 | 81% | 0.81 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -38.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D477 K481 | D477-A479 PolarHBondContact O-N 2.89Å; A479-K481 PolarHBondContact O-N 3.24Å |
| 480 | S | 36.5 | Very low | 55.1 | Low | 74 Ų | 74 | 72.8 Ų | 72.8 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | trans | -88.4 | 89.1 | 180 | 39.8 | 0 | 0 | 0 | 0 | 111.6 | D477 G482 | D477-S480 PolarHBondContact O-N 3.01Å; D477-S480 PolarHBondContact O-OG 2.94Å; S480-G482 PolarHBondContact O-N 3.39Å | ||
| 481 | K | 33.8 | Very low | 56.5 | Low | 211 Ų | 211 | 72.3 Ų | 72.3 | 92% | 0.917 | 40% | 0.397 | S | S | * | . | trans | -70.8 | 19.3 | 158.8 | -69.5 | -172.3 | 175.6 | -176.8 | 0 | 113.1 | A479 | A479-K481 PolarHBondContact O-N 3.24Š| ||
| 482 | G | 45.2 | Very low | 58.3 | Low | 51 Ų | 51 | 67.6 Ų | 67.6 | 53% | 0.526 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -84.8 | 145.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S480 | S480-G482 PolarHBondContact O-N 3.39Š|
| 483 | L | 51.7 | Low | 60 | Low | 51 Ų | 51 | 67.3 Ų | 67.3 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | trans | -69.7 | 149.2 | 167.1 | -64.9 | 165.9 | 0 | 0 | 0 | 109.2 | R149 M150 Y485 | R149-L483 HydrophobicContact CB-CD1 4.04Å; R149-L483 HydrophobicContact CG-CD1 3.99Å; R149-L483 HydrophobicContact CG-CD2 4.4Å; R149-L483 WeakPolarHBondContact O-CD1 3.27Å; M150-L483 HydrophobicContact CE-CB 4.01Å; M150-L483 HydrophobicContact SD-CB 3.94Å; M150-L483 HydrophobicContact SD-CD1 4.13Å; M150-L483 HydrophobicContact SD-CD2 4.07Å; M150-L483 HydrophobicContact SD-CG 4.27Å; L483-Y485 HydrophobicContact CB-CD1 4.21Å; L483-Y485 HydrophobicContact CB-CE1 3.76Å; L483-Y485 HydrophobicContact CB-CE2 4.2Å; L483-Y485 HydrophobicContact CD1-CE1 4.02Å; L483-Y485 VanDerWaalsContact O-CD2 3.23Å; L483-Y485 WeakPolarHBondContact O-CD2 3.26Å; L483-Y485 PolarHBondContact O-N 2.8Å | ||
| 484 | E | 63.6 | Low | 61.5 | Low | 40 Ų | 40 | 67.2 Ų | 67.2 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | trans | -73.4 | 68.2 | -179.6 | -68 | 166.1 | -151.7 | 0 | 0 | 111.1 | M150 F313 V317 S374 D486 A487 | M150-E484 WeakPolarHBondContact CE-O 3.33Å; F313-E484 WeakPolarHBondContact CZ-OE2 3.41Å; V317-E484 HydrophobicContact CG1-CB 4.43Å; S374-E484 WeakPolarHBondContact CB-OE1 3.16Å; S374-E484 PolarHBondContact OG-OE1 3.18Å; E484-D486 VanDerWaalsContact C-N 3.31Å; E484-D486 PolarHBondContact O-N 2.89Å; E484-A487 HydrophobicContact CB-CB 4.43Å; E484-A487 WeakPolarHBondContact O-CB 3.46Å; E484-A487 PolarHBondContact O-N 3.47Å | ||
| 485 | Y | 67.2 | Low | 63.4 | Low | 98 Ų | 98 | 66.4 Ų | 66.4 | 38% | 0.384 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -64 | -31.4 | -173.1 | -63.9 | -60.8 | 0 | 0 | 0 | 113.7 | R93 M150 L483 A487 V488 | R93-Y485 PolarHBondContact NH1-OH 2.66Å; R93-Y485 PolarHBondContact NH2-OH 2.82Å; M150-Y485 HydrophobicContact CE-CD1 4.37Å; L483-Y485 HydrophobicContact CB-CD1 4.21Å; L483-Y485 HydrophobicContact CB-CE1 3.76Å; L483-Y485 HydrophobicContact CB-CE2 4.2Å; L483-Y485 HydrophobicContact CD1-CE1 4.02Å; L483-Y485 VanDerWaalsContact O-CD2 3.23Å; L483-Y485 WeakPolarHBondContact O-CD2 3.26Å; L483-Y485 PolarHBondContact O-N 2.8Å; Y485-A487 PolarHBondContact O-N 2.92Å; Y485-V488 VanDerWaalsContact O-CB 3.23Å; Y485-V488 WeakPolarHBondContact O-CB 3.48Å; Y485-V488 VanDerWaalsContact O-CG2 3.27Å; Y485-V488 WeakPolarHBondContact O-CG2 3.44Å; Y485-V488 PolarHBondContact O-N 2.9Å |
| 486 | D | 67.1 | Low | 65.8 | Low | 105 Ų | 105 | 61.5 Ų | 61.5 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -70.2 | -18.1 | -179.7 | -53 | -67.7 | 0 | 0 | 0 | 113 | G461 E484 V488 | G461-D486 WeakPolarHBondContact CA-O 3.27Å; E484-D486 VanDerWaalsContact C-N 3.31Å; E484-D486 PolarHBondContact O-N 2.89Å; D486-V488 VanDerWaalsContact C-N 3.28Å |
| 487 | A | 63.9 | Low | 68.2 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -80.9 | -4.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F313 V317 E484 Y485 Q489 | F313-A487 HydrophobicContact CE1-CB 3.66Å; F313-A487 HydrophobicContact CZ-CB 4.01Å; V317-A487 HydrophobicContact CG1-CB 4.5Å; V317-A487 HydrophobicContact CG2-CB 4.28Å; E484-A487 HydrophobicContact CB-CB 4.43Å; E484-A487 WeakPolarHBondContact O-CB 3.46Å; E484-A487 PolarHBondContact O-N 3.47Å; Y485-A487 PolarHBondContact O-N 2.92Å; A487-Q489 PolarHBondContact O-N 3.46Å |
| 488 | V | 70.2 | Confident | 70.9 | Confident | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | trans | -82.2 | 118 | -177.9 | -175 | 0 | 0 | 0 | 0 | 110 | M150 T151 Y485 D486 | M150-V488 HydrophobicContact CB-CG1 4.38Å; M150-V488 HydrophobicContact CB-CG2 3.74Å; M150-V488 HydrophobicContact CE-CG2 3.42Å; M150-V488 VanDerWaalsContact CE-CG2 3.42Å; M150-V488 HydrophobicContact CG-CG2 4.41Å; T151-V488 HydrophobicContact CG2-CG1 3.62Å; Y485-V488 VanDerWaalsContact O-CB 3.23Å; Y485-V488 WeakPolarHBondContact O-CB 3.48Å; Y485-V488 VanDerWaalsContact O-CG2 3.27Å; Y485-V488 WeakPolarHBondContact O-CG2 3.44Å; Y485-V488 PolarHBondContact O-N 2.9Å; D486-V488 VanDerWaalsContact C-N 3.28Å | ||
| 489 | Q | 80.6 | Confident | 73.9 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -97.5 | 158 | -175.5 | -77.2 | -67 | -5 | 0 | 0 | 113.1 | P314 P321 T325 A487 | P314-Q489 HydrophobicContact CB-CG 4.42Å; P321-Q489 HydrophobicContact CB-CB 4.34Å; P321-Q489 VanDerWaalsContact CB-O 3.23Å; P321-Q489 WeakPolarHBondContact CB-O 3Å; T325-Q489 HydrophobicContact CG2-CB 3.78Å; T325-Q489 HydrophobicContact CG2-CG 4.48Å; T325-Q489 WeakPolarHBondContact OG1-CB 3.13Å; A487-Q489 PolarHBondContact O-N 3.46Å | ||
| 490 | R | 87.5 | Confident | 76.9 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | trans | -133.3 | 99.3 | -179.5 | -178.7 | -159.4 | 169 | -69.8 | -3.2 | 110.1 | F96 V97 P99 S102 V460 D492 Q564 E565 | F96-R490 HydrophobicContact CE2-CB 4Å; F96-R490 HydrophobicContact CE2-CG 4.2Å; F96-R490 HydrophobicContact CZ-CB 3.87Å; F96-R490 HydrophobicContact CZ-CG 3.74Å; V97-R490 PolarHBondContact O-NE 3.43Å; V97-R490 VanDerWaalsContact O-NE 3.13Å; P99-R490 HydrophobicContact CG-CG 3.99Å; S102-R490 PolarHBondContact OG-NH2 2.78Å; V460-R490 HydrophobicContact CG1-CB 4.08Å; V460-R490 HydrophobicContact CG2-CB 4.01Å; R490-D492 IonicContact CZ-OD2 2.94Å; R490-D492 IonicContact NH1-OD2 2.74Å; R490-D492 IonicContact NH2-OD2 2.79Å; R490-D492 PolarHBondContact NH2-OD2 3.23Å; R490-Q564 WeakPolarHBondContact O-CG 3.31Å; R490-E565 IonicContact NH1-OE2 2.66Å | ||
| 491 | G | 86.8 | Confident | 79.8 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | trans | -94.5 | 145.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P99 E565 | P99-G491 VanDerWaalsContact CG-O 3.25Å; P99-G491 WeakPolarHBondContact CG-O 3.42Å; G491-E565 VanDerWaalsContact CA-OE1 3.26Å; G491-E565 WeakPolarHBondContact CA-OE1 3.02Å | ||
| 492 | D | 93.6 | Very high | 82.8 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | trans | -140.9 | 76.8 | -179.2 | -157.2 | -17.6 | 0 | 0 | 0 | 110.3 | P99 N103 R490 E494 M495 E496 E565 | P99-D492 HydrophobicContact CB-CB 4.22Å; P99-D492 HydrophobicContact CG-CB 4.48Å; N103-D492 PolarHBondContact ND2-OD1 3.49Å; R490-D492 IonicContact CZ-OD2 2.94Å; R490-D492 IonicContact NH1-OD2 2.74Å; R490-D492 IonicContact NH2-OD2 2.79Å; R490-D492 PolarHBondContact NH2-OD2 3.23Å; D492-E494 PolarHBondContact O-N 2.88Å; D492-M495 HydrophobicContact CB-CB 4.47Å; D492-M495 WeakPolarHBondContact O-CB 3.35Å; D492-M495 PolarHBondContact O-N 2.97Å; D492-E496 PolarHBondContact O-N 3.45Å; D492-E565 WeakPolarHBondContact CB-OE2 3.19Å; D492-E565 PolarHBondContact N-OE1 2.93Å; D492-E565 PolarHBondContact N-OE2 2.9Å; D492-E565 VanDerWaalsContact N-OE2 3.14Å; D492-E565 WeakPolarHBondContact O-CG 3.35Å | ||
| 493 | P | 94.1 | Very high | 85.3 | Confident | 11 Ų | 11 | 21.2 Ų | 21.2 | 7% | 0.071 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.4 | -15.4 | -166.5 | 23.8 | -35.3 | 0 | 0 | 0 | 114.9 | Y392 K395 F396 Q497 | Y392-P493 HydrophobicContact CD1-CB 3.81Å; Y392-P493 HydrophobicContact CD2-CB 3.78Å; Y392-P493 HydrophobicContact CD2-CG 4Å; Y392-P493 HydrophobicContact CE1-CB 3.87Å; Y392-P493 HydrophobicContact CE2-CB 3.88Å; Y392-P493 HydrophobicContact CE2-CG 4.31Å; Y392-P493 HydrophobicContact CG-CB 3.78Å; Y392-P493 HydrophobicContact CG-CG 4.27Å; K395-P493 HydrophobicContact CB-CB 3.9Å; K395-P493 HydrophobicContact CB-CG 3.64Å; K395-P493 HydrophobicContact CD-CG 3.69Å; K395-P493 HydrophobicContact CG-CG 4.31Å; F396-P493 HydrophobicContact CB-CB 4.43Å; P493-Q497 WeakPolarHBondContact O-CB 3.24Å; P493-Q497 PolarHBondContact O-N 3.38Å; P493-Q497 VanDerWaalsContact O-N 3.1Å |
| 494 | E | 93.3 | Very high | 87.4 | Confident | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -74.6 | -34.5 | 174.6 | -170.4 | -78.4 | 155.1 | 0 | 0 | 111.6 | N103 D492 Q497 K498 E1055 | N103-E494 WeakPolarHBondContact OD1-CB 3.33Å; N103-E494 WeakPolarHBondContact OD1-CG 3.3Å; N103-E494 PolarHBondContact OD1-OE2 3.13Å; D492-E494 PolarHBondContact O-N 2.88Å; E494-Q497 WeakPolarHBondContact O-CB 3.43Å; E494-Q497 PolarHBondContact O-N 2.91Å; E494-K498 PolarHBondContact O-N 3.29Å; E494-K498 VanDerWaalsContact O-N 3.15Å; E494-K498 WeakPolarHBondContact OE1-CE 3.3Å; E494-K498 IonicContact OE1-NZ 2.72Å; E494-K498 PolarHBondContact OE1-NZ 2.86Å; E494-K498 WeakPolarHBondContact OE2-CE 3.48Å; E494-K498 IonicContact OE2-NZ 3.62Å; E494-K498 PolarHBondContact OE2-NZ 2.74Å; E494-E1055 VanDerWaalsContact OE1-CB 3.3Å; E494-E1055 WeakPolarHBondContact OE1-CB 3.27Å; E494-E1055 WeakPolarHBondContact OE1-CG 3.32Å |
| 495 | M | 95.7 | Very high | 89 | Confident | 17 Ų | 17 | 20.3 Ų | 20.3 | 8% | 0.084 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -71.2 | -41.2 | 173 | -173.5 | 56.3 | 61.1 | 0 | 0 | 111.7 | D492 Q497 K498 L499 E565 Y589 | D492-M495 HydrophobicContact CB-CB 4.47Å; D492-M495 WeakPolarHBondContact O-CB 3.35Å; D492-M495 PolarHBondContact O-N 2.97Å; M495-Q497 PolarHBondContact O-N 2.89Å; M495-K498 PolarHBondContact O-N 2.96Å; M495-L499 WeakPolarHBondContact O-CB 3.43Å; M495-L499 PolarHBondContact O-N 3.11Å; M495-E565 HydrophobicContact CB-CB 3.96Å; M495-E565 HydrophobicContact CB-CG 4.17Å; M495-E565 HydrophobicContact CG-CB 3.84Å; M495-Y589 HydrophobicContact CE-CD2 3.98Å; M495-Y589 HydrophobicContact CE-CE2 3.78Å; M495-Y589 HydrophobicContact SD-CD2 4.3Å |
| 496 | E | 97.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.3 | -39.5 | 171.6 | -167.5 | 61.8 | -123.7 | 0 | 0 | 111 | I331 R332 H335 Y392 F396 D492 L499 N500 E565 | I331-E496 HydrophobicContact CB-CG 4.3Å; I331-E496 HydrophobicContact CG2-CG 3.83Å; I331-E496 WeakPolarHBondContact CG2-OE1 3.49Å; R332-E496 WeakPolarHBondContact CG-OE1 3.4Å; R332-E496 WeakPolarHBondContact CG-OE2 3.16Å; R332-E496 IonicContact CZ-OE2 3.08Å; R332-E496 IonicContact NH1-OE2 3.35Å; R332-E496 PolarHBondContact NH1-OE2 3.36Å; H335-E496 IonicContact CE1-OE1 3.36Å; H335-E496 PolarHBondContact CE1-OE1 3.26Å; H335-E496 IonicContact ND1-OE1 2.62Å; H335-E496 IonicContact NE2-OE1 3.83Å; Y392-E496 HydrophobicContact CE1-CB 4.28Å; Y392-E496 HydrophobicContact CE1-CG 4Å; Y392-E496 WeakPolarHBondContact OH-CB 3.46Å; Y392-E496 PolarHBondContact OH-OE2 2.76Å; F396-E496 HydrophobicContact CD2-CB 4.04Å; F396-E496 HydrophobicContact CD2-CG 3.79Å; F396-E496 HydrophobicContact CE2-CB 4.47Å; F396-E496 HydrophobicContact CE2-CG 3.96Å; D492-E496 PolarHBondContact O-N 3.45Å; E496-L499 PolarHBondContact O-N 2.85Å; E496-N500 WeakPolarHBondContact O-CB 3.25Å; E496-N500 PolarHBondContact O-N 2.74Å; E496-E565 HydrophobicContact CB-CB 4.48Å; E496-E565 HydrophobicContact CB-CG 3.72Å; E496-E565 WeakPolarHBondContact OE2-CA 3.19Å |
| 497 | Q | 96.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 10.7 Ų | 10.7 | 5% | 0.051 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.9 | -154.3 | -91.8 | -15.5 | 0 | 0 | 112.7 | F396 P493 E494 M495 R501 T1057 | F396-Q497 HydrophobicContact CD2-CB 4.02Å; F396-Q497 HydrophobicContact CD2-CG 4.3Å; F396-Q497 HydrophobicContact CE2-CB 4.47Å; F396-Q497 WeakPolarHBondContact O-CG 3.32Å; P493-Q497 WeakPolarHBondContact O-CB 3.24Å; P493-Q497 PolarHBondContact O-N 3.38Å; P493-Q497 VanDerWaalsContact O-N 3.1Å; E494-Q497 WeakPolarHBondContact O-CB 3.43Å; E494-Q497 PolarHBondContact O-N 2.91Å; M495-Q497 PolarHBondContact O-N 2.89Å; Q497-R501 WeakPolarHBondContact O-CB 3.42Å; Q497-R501 WeakPolarHBondContact O-CG 3.28Å; Q497-R501 PolarHBondContact O-N 2.88Å; Q497-T1057 PolarHBondContact NE2-O 3.22Å |
| 498 | K | 96.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.017 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 173 | -74 | -173.4 | -73.6 | -125 | 0 | 112.6 | E494 M495 N500 R501 V502 E586 R587 C588 E1055 | E494-K498 PolarHBondContact O-N 3.29Å; E494-K498 VanDerWaalsContact O-N 3.15Å; E494-K498 WeakPolarHBondContact OE1-CE 3.3Å; E494-K498 IonicContact OE1-NZ 2.72Å; E494-K498 PolarHBondContact OE1-NZ 2.86Å; E494-K498 WeakPolarHBondContact OE2-CE 3.48Å; E494-K498 IonicContact OE2-NZ 3.62Å; E494-K498 PolarHBondContact OE2-NZ 2.74Å; M495-K498 PolarHBondContact O-N 2.96Å; K498-N500 VanDerWaalsContact C-N 3.34Å; K498-N500 PolarHBondContact O-N 2.83Å; K498-R501 PolarHBondContact O-N 2.81Å; K498-V502 PolarHBondContact O-N 2.84Å; K498-E586 VanDerWaalsContact CD-O 3.22Å; K498-E586 WeakPolarHBondContact CD-O 3.3Å; K498-E586 VanDerWaalsContact CG-O 3.29Å; K498-E586 WeakPolarHBondContact CG-O 3.34Å; K498-R587 HydrophobicContact CD-CB 4.01Å; K498-C588 HydrophobicContact CB-CB 4.19Å; K498-E1055 HydrophobicContact CD-CB 3.99Å; K498-E1055 WeakPolarHBondContact CD-OE2 3.27Å; K498-E1055 HydrophobicContact CG-CB 4.24Å; K498-E1055 IonicContact NZ-OE2 2.57Å; K498-E1055 PolarHBondContact NZ-OE2 2.95Å |
| 499 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.9 | -51.4 | 174.3 | 173.3 | 60.6 | 0 | 0 | 0 | 110.4 | R332 L453 M495 E496 R501 V502 I503 D567 | R332-L499 HydrophobicContact CG-CD2 4.24Å; L453-L499 HydrophobicContact CB-CD1 3.93Å; L453-L499 HydrophobicContact CD2-CD1 3.55Å; L453-L499 HydrophobicContact CG-CD1 3.55Å; M495-L499 WeakPolarHBondContact O-CB 3.43Å; M495-L499 PolarHBondContact O-N 3.11Å; E496-L499 PolarHBondContact O-N 2.85Å; L499-R501 PolarHBondContact O-N 3.46Å; L499-V502 PolarHBondContact O-N 2.93Å; L499-I503 HydrophobicContact CD1-CD1 3.73Å; L499-I503 HydrophobicContact CD1-CG1 4.45Å; L499-I503 HydrophobicContact CG-CD1 3.96Å; L499-I503 WeakPolarHBondContact O-CG1 3.27Å; L499-I503 PolarHBondContact O-N 2.9Å; L499-I503 VanDerWaalsContact O-N 3.12Å; L499-D567 HydrophobicContact CD1-CB 4.17Å |
| 500 | N | 97.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 15.2 Ų | 15.2 | 8% | 0.08 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.5 | -175.5 | -101 | 0 | 0 | 0 | 113 | H335 P343 F396 E496 K498 V502 I503 R504 | H335-N500 VanDerWaalsContact CB-ND2 3.29Å; H335-N500 WeakPolarHBondContact CB-ND2 3.33Å; H335-N500 PolarHBondContact ND1-ND2 2.66Å; P343-N500 WeakPolarHBondContact CD-ND2 3.04Å; F396-N500 HydrophobicContact CE2-CB 3.7Å; F396-N500 HydrophobicContact CZ-CB 3.77Å; E496-N500 WeakPolarHBondContact O-CB 3.25Å; E496-N500 PolarHBondContact O-N 2.74Å; K498-N500 VanDerWaalsContact C-N 3.34Å; K498-N500 PolarHBondContact O-N 2.83Å; N500-V502 PolarHBondContact O-N 2.79Å; N500-I503 PolarHBondContact O-N 3.03Å; N500-R504 WeakPolarHBondContact O-CB 3.37Å; N500-R504 PolarHBondContact O-N 2.91Å |
| 501 | R | 96.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 6% | 0.064 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.5 | -84.5 | 179.1 | 160.9 | 175.4 | -2.2 | 112.9 | Q497 K498 L499 A505 E586 E1054 T1057 D1060 | Q497-R501 WeakPolarHBondContact O-CB 3.42Å; Q497-R501 WeakPolarHBondContact O-CG 3.28Å; Q497-R501 PolarHBondContact O-N 2.88Å; K498-R501 PolarHBondContact O-N 2.81Å; L499-R501 PolarHBondContact O-N 3.46Å; R501-A505 VanDerWaalsContact O-CB 3.3Å; R501-A505 WeakPolarHBondContact O-CB 3.35Å; R501-A505 PolarHBondContact O-N 3.5Å; R501-E586 HydrophobicContact CB-CB 4.41Å; R501-E586 HydrophobicContact CB-CG 4.19Å; R501-E1054 PolarHBondContact NH1-O 3.33Å; R501-T1057 VanDerWaalsContact CZ-O 3.25Å; R501-T1057 PolarHBondContact NH1-OG1 2.9Å; R501-T1057 PolarHBondContact NH2-O 3.44Å; R501-T1057 PolarHBondContact NH2-OG1 3.21Å; R501-D1060 IonicContact CZ-OD1 2.63Å; R501-D1060 IonicContact NH2-OD1 2.7Å; R501-D1060 PolarHBondContact NH2-OD1 3.43Å |
| 502 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 174.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L453 K498 L499 N500 R504 A505 C506 I582 A583 E586 C588 | L453-V502 HydrophobicContact CD1-CG1 4.01Å; L453-V502 HydrophobicContact CD2-CB 4.16Å; L453-V502 HydrophobicContact CD2-CG1 3.78Å; K498-V502 PolarHBondContact O-N 2.84Å; L499-V502 PolarHBondContact O-N 2.93Å; N500-V502 PolarHBondContact O-N 2.79Å; V502-R504 VanDerWaalsContact C-N 3.33Å; V502-R504 PolarHBondContact O-N 2.63Å; V502-A505 PolarHBondContact O-N 2.81Å; V502-C506 PolarHBondContact O-N 3.01Å; V502-C506 PolarHBondContact O-SG 2.9Å; V502-C506 VanDerWaalsContact O-SG 3.34Å; V502-I582 HydrophobicContact CB-CG2 4.21Å; V502-I582 HydrophobicContact CG1-CG2 3.88Å; V502-I582 HydrophobicContact CG2-CG2 4.3Å; V502-A583 HydrophobicContact CG1-CB 4.48Å; V502-A583 HydrophobicContact CG2-CB 4.28Å; V502-E586 HydrophobicContact CG2-CB 3.79Å; V502-E586 HydrophobicContact CG2-CG 4.24Å; V502-C588 HydrophobicContact CG2-CB 3.62Å |
| 503 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | -179.7 | -66.3 | 165.8 | 0 | 0 | 0 | 110.5 | H335 L453 L499 N500 C506 A507 I515 I518 | H335-I503 HydrophobicContact CB-CG2 4.44Å; H335-I503 WeakPolarHBondContact CD2-CD1 3.26Å; H335-I503 VanDerWaalsContact NE2-CD1 3.29Å; H335-I503 WeakPolarHBondContact NE2-CD1 3.35Å; L453-I503 HydrophobicContact CD2-CD1 4.45Å; L453-I503 HydrophobicContact CD2-CG1 4.01Å; L499-I503 HydrophobicContact CD1-CD1 3.73Å; L499-I503 HydrophobicContact CD1-CG1 4.45Å; L499-I503 HydrophobicContact CG-CD1 3.96Å; L499-I503 WeakPolarHBondContact O-CG1 3.27Å; L499-I503 PolarHBondContact O-N 2.9Å; L499-I503 VanDerWaalsContact O-N 3.12Å; N500-I503 PolarHBondContact O-N 3.03Å; I503-C506 PolarHBondContact O-N 2.94Å; I503-A507 VanDerWaalsContact O-CB 3.27Å; I503-A507 WeakPolarHBondContact O-CB 3.37Å; I503-A507 PolarHBondContact O-N 2.76Å; I503-I515 HydrophobicContact CG2-CD1 4.35Å; I503-I518 HydrophobicContact CD1-CD1 3.52Å; I503-I518 HydrophobicContact CG1-CD1 3.7Å; I503-I518 HydrophobicContact CG2-CD1 4.22Å |
| 504 | R | 96.6 | Very high | 95 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 25% | 0.253 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.5 | 178.3 | 167.9 | -166.3 | 151.8 | 10.2 | 112 | Y342 N500 V502 C506 A507 E508 | Y342-R504 HydrophobicContact CD1-CB 4.27Å; Y342-R504 HydrophobicContact CD1-CG 3.89Å; Y342-R504 HydrophobicContact CE1-CB 4.29Å; Y342-R504 HydrophobicContact CE1-CG 3.82Å; N500-R504 WeakPolarHBondContact O-CB 3.37Å; N500-R504 PolarHBondContact O-N 2.91Å; V502-R504 VanDerWaalsContact C-N 3.33Å; V502-R504 PolarHBondContact O-N 2.63Å; R504-C506 VanDerWaalsContact C-N 3.32Å; R504-C506 PolarHBondContact O-N 3.38Å; R504-A507 PolarHBondContact O-N 3.49Å; R504-E508 HydrophobicContact CG-CG 4.24Å; R504-E508 IonicContact CZ-OE1 2.63Å; R504-E508 IonicContact NE-OE1 3.72Å; R504-E508 PolarHBondContact NE-OE1 3.18Å; R504-E508 IonicContact NH2-OE1 3.55Å; R504-E508 PolarHBondContact NH2-OE1 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.35Å; R504-E508 WeakPolarHBondContact O-CG 3.49Å; R504-E508 PolarHBondContact O-N 2.71Å |
| 505 | A | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R501 V502 I582 | R501-A505 VanDerWaalsContact O-CB 3.3Å; R501-A505 WeakPolarHBondContact O-CB 3.35Å; R501-A505 PolarHBondContact O-N 3.5Å; V502-A505 PolarHBondContact O-N 2.81Å; A505-I582 HydrophobicContact CB-CD1 4.37Å; A505-I582 HydrophobicContact CB-CG2 3.53Å |
| 506 | C | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -46.8 | 171.1 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | V502 I503 R504 E508 L509 N513 P514 I515 | V502-C506 PolarHBondContact O-N 3.01Å; V502-C506 PolarHBondContact O-SG 2.9Å; V502-C506 VanDerWaalsContact O-SG 3.34Å; I503-C506 PolarHBondContact O-N 2.94Å; R504-C506 VanDerWaalsContact C-N 3.32Å; R504-C506 PolarHBondContact O-N 3.38Å; C506-E508 PolarHBondContact O-N 3.12Å; C506-L509 WeakPolarHBondContact O-CB 3.5Å; C506-L509 PolarHBondContact O-N 2.77Å; C506-N513 WeakPolarHBondContact O-CA 3.33Å; C506-N513 WeakPolarHBondContact O-CB 3.4Å; C506-N513 VanDerWaalsContact O-CG 3.29Å; C506-N513 PolarHBondContact O-OD1 3.08Å; C506-P514 HydrophobicContact CB-CG 3.99Å; C506-P514 VanDerWaalsContact SG-CG 3.55Å; C506-I515 HydrophobicContact CB-CD1 3.59Å; C506-I515 HydrophobicContact CB-CG1 3.87Å |
| 507 | A | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y342 N438 I503 R504 L509 R510 | Y342-A507 HydrophobicContact CE1-CB 3.9Å; N438-A507 WeakPolarHBondContact ND2-CA 3.45Å; N438-A507 WeakPolarHBondContact ND2-CB 3.42Å; N438-A507 PolarHBondContact ND2-O 3.34Å; I503-A507 VanDerWaalsContact O-CB 3.27Å; I503-A507 WeakPolarHBondContact O-CB 3.37Å; I503-A507 PolarHBondContact O-N 2.76Å; R504-A507 PolarHBondContact O-N 3.49Å; A507-L509 PolarHBondContact O-N 2.63Å; A507-R510 PolarHBondContact O-N 3.12Å |
| 508 | E | 95.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 30 Ų | 30 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.3 | 178.5 | -72.7 | 180 | 167.8 | 0 | 0 | 112.9 | R285 P286 Y342 R504 C506 R510 R1061 | R285-E508 HydrophobicContact CG-CG 4.36Å; P286-E508 WeakPolarHBondContact CD-OE2 3.41Å; Y342-E508 HydrophobicContact CE1-CG 4.17Å; R504-E508 HydrophobicContact CG-CG 4.24Å; R504-E508 IonicContact CZ-OE1 2.63Å; R504-E508 IonicContact NE-OE1 3.72Å; R504-E508 PolarHBondContact NE-OE1 3.18Å; R504-E508 IonicContact NH2-OE1 3.55Å; R504-E508 PolarHBondContact NH2-OE1 3.06Å; R504-E508 WeakPolarHBondContact O-CB 3.35Å; R504-E508 WeakPolarHBondContact O-CG 3.49Å; R504-E508 PolarHBondContact O-N 2.71Å; C506-E508 PolarHBondContact O-N 3.12Å; E508-R510 PolarHBondContact O-N 3.31Å; E508-R1061 IonicContact OE1-CZ 3.22Å; E508-R1061 IonicContact OE1-NH1 2.76Å; E508-R1061 PolarHBondContact OE1-NH1 2.78Å; E508-R1061 IonicContact OE1-NH2 2.7Å; E508-R1061 PolarHBondContact OE1-NH2 2.99Å; E508-R1061 IonicContact OE2-CZ 2.84Å; E508-R1061 IonicContact OE2-NH1 2.8Å; E508-R1061 PolarHBondContact OE2-NH1 3.47Å; E508-R1061 VanDerWaalsContact OE2-NH1 3.17Å; E508-R1061 IonicContact OE2-NH2 2.86Å; E508-R1061 PolarHBondContact OE2-NH2 3.47Å |
| 509 | L | 93.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 20% | 0.199 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.2 | 167.8 | -65.5 | 172.1 | 0 | 0 | 0 | 114 | C506 A507 R511 E512 T578 I582 | C506-L509 WeakPolarHBondContact O-CB 3.5Å; C506-L509 PolarHBondContact O-N 2.77Å; A507-L509 PolarHBondContact O-N 2.63Å; L509-R511 PolarHBondContact O-N 3.05Å; L509-E512 HydrophobicContact CB-CB 4.33Å; L509-E512 PolarHBondContact O-N 3.21Å; L509-T578 HydrophobicContact CD1-CG2 4.03Å; L509-I582 HydrophobicContact CD1-CD1 4.16Å |
| 510 | R | 85.8 | Confident | 95.3 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | 54.4 | -99.8 | 172.6 | -52 | -179.7 | 76.8 | -173 | 0.8 | 113.6 | E298 D435 A507 E508 E512 N513 | E298-R510 VanDerWaalsContact OE2-CD 3.22Å; E298-R510 WeakPolarHBondContact OE2-CD 3.37Å; E298-R510 IonicContact OE2-CZ 3.57Å; E298-R510 IonicContact OE2-NE 2.64Å; E298-R510 IonicContact OE2-NH1 3.72Å; E298-R510 PolarHBondContact OE2-NH1 2.76Å; D435-R510 IonicContact OD2-NE 3.19Å; D435-R510 PolarHBondContact OD2-NE 2.92Å; A507-R510 PolarHBondContact O-N 3.12Å; E508-R510 PolarHBondContact O-N 3.31Å; R510-E512 VanDerWaalsContact C-N 3.31Å; R510-N513 VanDerWaalsContact O-CB 3.3Å; R510-N513 WeakPolarHBondContact O-CB 3.39Å; R510-N513 PolarHBondContact O-N 3.21Å |
| 511 | R | 85.5 | Confident | 95 | Very high | 229 Ų | 229 | 31.8 Ų | 31.8 | 86% | 0.864 | 14% | 0.138 | S | C | * | . | G | 310 helix | trans | -70.2 | -28.8 | 178.4 | -68.3 | -174.2 | -178.5 | -179.9 | 1.7 | 112.5 | L509 | L509-R511 PolarHBondContact O-N 3.05Š|
| 512 | E | 91.8 | Very high | 94.6 | Very high | 121 Ų | 121 | 32.1 Ų | 32.1 | 57% | 0.565 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -91.6 | 1.2 | 179 | -63.2 | -49.6 | 145.1 | 0 | 0 | 114.4 | L509 R510 P514 K575 | L509-E512 HydrophobicContact CB-CB 4.33Å; L509-E512 PolarHBondContact O-N 3.21Å; R510-E512 VanDerWaalsContact C-N 3.31Å; E512-P514 VanDerWaalsContact O-N 3.14Å; E512-K575 PolarHBondContact O-NZ 2.87Å; E512-K575 IonicContact OE2-NZ 3.77Å; E512-K575 PolarHBondContact OE2-NZ 3.06Å |
| 513 | N | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | trans | -44.1 | 118.9 | 175.6 | -179.1 | -2.6 | 0 | 0 | 0 | 110.9 | R339 N438 C506 R510 I515 | R339-N513 PolarHBondContact O-ND2 2.8Å; N438-N513 PolarHBondContact OD1-ND2 3.27Å; C506-N513 WeakPolarHBondContact O-CA 3.33Å; C506-N513 WeakPolarHBondContact O-CB 3.4Å; C506-N513 VanDerWaalsContact O-CG 3.29Å; C506-N513 PolarHBondContact O-OD1 3.08Å; R510-N513 VanDerWaalsContact O-CB 3.3Å; R510-N513 WeakPolarHBondContact O-CB 3.39Å; R510-N513 PolarHBondContact O-N 3.21Å; N513-I515 VanDerWaalsContact C-N 3.34Å; N513-I515 WeakPolarHBondContact OD1-CB 3.44Å; N513-I515 PolarHBondContact OD1-N 3.17Å | ||
| 514 | P | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | trans | -76.7 | -20.7 | -176.3 | 32.4 | -38.4 | 0 | 0 | 0 | 113.5 | C506 E512 S516 V571 K575 T578 V579 | C506-P514 HydrophobicContact CB-CG 3.99Å; C506-P514 VanDerWaalsContact SG-CG 3.55Å; E512-P514 VanDerWaalsContact O-N 3.14Å; P514-S516 PolarHBondContact O-N 3.11Å; P514-V571 HydrophobicContact CB-CG1 4.34Å; P514-K575 HydrophobicContact CB-CB 3.77Å; P514-K575 HydrophobicContact CB-CD 4.22Å; P514-T578 HydrophobicContact CG-CG2 4.48Å; P514-V579 HydrophobicContact CB-CG2 3.56Å; P514-V579 HydrophobicContact CG-CG2 3.46Å; P514-V579 VanDerWaalsContact CG-CG2 3.46Å | ||
| 515 | I | 97.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116.9 | 179.4 | -57 | 176.4 | 0 | 0 | 0 | 108.2 | R339 I503 C506 N513 I518 L569 | R339-I515 HydrophobicContact CB-CB 4.4Å; R339-I515 HydrophobicContact CB-CG2 4.2Å; R339-I515 WeakPolarHBondContact CD-O 3.4Å; R339-I515 PolarHBondContact NE-O 2.84Å; I503-I515 HydrophobicContact CG2-CD1 4.35Å; C506-I515 HydrophobicContact CB-CD1 3.59Å; C506-I515 HydrophobicContact CB-CG1 3.87Å; N513-I515 VanDerWaalsContact C-N 3.34Å; N513-I515 WeakPolarHBondContact OD1-CB 3.44Å; N513-I515 PolarHBondContact OD1-N 3.17Å; I515-I518 HydrophobicContact CD1-CD1 4.32Å; I515-I518 HydrophobicContact CG2-CB 3.77Å; I515-I518 HydrophobicContact CG2-CG2 3.82Å; I515-L569 HydrophobicContact CD1-CD2 3.96Å; I515-L569 HydrophobicContact CG1-CD2 3.9Å; I515-L569 HydrophobicContact CG2-CD2 4.37Å |
| 516 | S | 97.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 12% | 0.119 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -43.5 | 171.5 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | R339 N442 P514 L570 | R339-S516 VanDerWaalsContact CD-O 3.26Å; R339-S516 WeakPolarHBondContact CD-O 3.48Å; N442-S516 VanDerWaalsContact CB-O 3.3Å; N442-S516 WeakPolarHBondContact CB-O 3.34Å; N442-S516 PolarHBondContact N-O 3.25Å; P514-S516 PolarHBondContact O-N 3.11Å; S516-L570 WeakPolarHBondContact CB-O 3.5Å; S516-L570 PolarHBondContact N-O 3.19Å |
| 517 | S | 97.2 | Very high | 92.4 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.8 | 169.2 | -164.6 | 0 | 0 | 0 | 0 | 109 | L533 L569 L570 | S517-L533 WeakPolarHBondContact OG-CD1 3.48Å; S517-L569 WeakPolarHBondContact O-CA 3.4Å; S517-L570 PolarHBondContact O-N 3.25Å |
| 518 | I | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 153.1 | -179.7 | -179.6 | 163.9 | 0 | 0 | 0 | 108.8 | A336 G338 K441 I503 I515 D567 A568 L569 | A336-I518 HydrophobicContact CB-CG1 4.12Å; G338-I518 WeakPolarHBondContact O-CG2 3.32Å; K441-I518 WeakPolarHBondContact CE-O 3.12Å; K441-I518 PolarHBondContact NZ-O 2.84Å; I503-I518 HydrophobicContact CD1-CD1 3.52Å; I503-I518 HydrophobicContact CG1-CD1 3.7Å; I503-I518 HydrophobicContact CG2-CD1 4.22Å; I515-I518 HydrophobicContact CD1-CD1 4.32Å; I515-I518 HydrophobicContact CG2-CB 3.77Å; I515-I518 HydrophobicContact CG2-CG2 3.82Å; I518-D567 HydrophobicContact CD1-CB 4.44Å; I518-D567 VanDerWaalsContact CD1-OD2 3.26Å; I518-D567 WeakPolarHBondContact CD1-OD2 3.19Å; I518-D567 HydrophobicContact CG1-CB 4.34Å; I518-D567 WeakPolarHBondContact CG1-OD2 3.38Å; I518-A568 CarbonylContact C-O 3.53Å; I518-A568 WeakPolarHBondContact CA-O 2.96Å; I518-L569 HydrophobicContact CB-CD2 4.44Å; I518-L569 HydrophobicContact CB-CG 4.27Å; I518-L569 HydrophobicContact CD1-CD2 3.73Å; I518-L569 HydrophobicContact CD1-CG 3.98Å; I518-L569 HydrophobicContact CG1-CD2 4.22Å; I518-L569 HydrophobicContact CG1-CG 3.96Å |
| 519 | H | 96.1 | Very high | 92 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 18% | 0.181 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 143.8 | 177.3 | -160 | -55.2 | 0 | 0 | 0 | 109.6 | V529 L533 D567 A568 | H519-V529 HydrophobicContact CB-CG2 3.58Å; H519-L533 HydrophobicContact CB-CD1 4.12Å; H519-D567 WeakPolarHBondContact O-CA 3.36Å; H519-A568 PolarHBondContact N-O 2.79Å; H519-A568 PolarHBondContact O-N 3.48Å |
| 520 | D | 95.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 28 Ų | 28 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 159.4 | 176.1 | 82.6 | -64.9 | 0 | 0 | 0 | 112.1 | N272 R332 A336 G522 V529 D567 | N272-D520 PolarHBondContact ND2-OD1 3.16Å; R332-D520 HydrophobicContact CB-CB 3.73Å; A336-D520 HydrophobicContact CB-CB 4.48Å; D520-G522 WeakPolarHBondContact OD2-CA 3.39Å; D520-G522 PolarHBondContact OD2-N 3Å; D520-V529 WeakPolarHBondContact O-CB 3.35Å; D520-V529 WeakPolarHBondContact O-CG2 3.1Å; D520-D567 WeakPolarHBondContact CA-OD1 3.49Å |
| 521 | Q | 92.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -101.5 | 112.9 | 155.9 | -164.5 | 178.5 | -87.3 | 0 | 0 | 111.8 | R332 N526 V529 Y563 S566 | R332-Q521 PolarHBondContact NE-O 3.31Å; R332-Q521 PolarHBondContact NH2-O 3.34Å; Q521-N526 PolarHBondContact OE1-ND2 3.45Å; Q521-N526 PolarHBondContact OE1-OD1 3.33Å; Q521-V529 HydrophobicContact CG-CG1 4.4Å; Q521-Y563 VanDerWaalsContact NE2-CD1 3.29Å; Q521-Y563 VanDerWaalsContact NE2-CD2 3.3Å; Q521-Y563 VanDerWaalsContact NE2-CE2 3.26Å; Q521-Y563 VanDerWaalsContact NE2-CG 3.32Å; Q521-Y563 PolarHBondContact NE2-O 2.97Å; Q521-Y563 PolarHBondContact OE1-OH 3.36Å; Q521-S566 WeakPolarHBondContact CA-O 3.39Å; Q521-S566 WeakPolarHBondContact CB-O 3.29Å; Q521-S566 PolarHBondContact N-O 3.48Å | ||
| 522 | G | 86.5 | Confident | 92.7 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 25% | 0.247 | 10% | 0.096 | C | C | . | . | trans | -124.4 | -133.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D520 G524 G525 | D520-G522 WeakPolarHBondContact OD2-CA 3.39Å; D520-G522 PolarHBondContact OD2-N 3Å; G522-G524 PolarHBondContact O-N 3.11Å; G522-G525 PolarHBondContact O-N 2.85Å | ||
| 523 | A | 83.2 | Confident | 92.8 | Very high | 22 Ų | 22 | 12 Ų | 12 | 18% | 0.182 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 132.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G525 N528 | A523-G525 VanDerWaalsContact C-N 3.3Å; A523-G525 PolarHBondContact O-N 3.25Å; A523-N528 WeakPolarHBondContact O-CB 3.39Å |
| 524 | G | 83.1 | Confident | 92.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 5.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G522 G527 N528 E562 | G522-G524 PolarHBondContact O-N 3.11Å; G524-G527 PolarHBondContact O-N 2.89Å; G524-N528 PolarHBondContact O-N 2.64Å; G524-E562 PolarHBondContact N-OE1 3.16Å |
| 525 | G | 89.6 | Confident | 92.5 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | 60.3 | -148.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115 | G522 A523 G527 N528 V529 | G522-G525 PolarHBondContact O-N 2.85Å; A523-G525 VanDerWaalsContact C-N 3.3Å; A523-G525 PolarHBondContact O-N 3.25Å; G525-G527 PolarHBondContact O-N 2.76Å; G525-N528 PolarHBondContact O-N 2.77Å; G525-V529 WeakPolarHBondContact O-CG1 3.32Å; G525-V529 PolarHBondContact O-N 3.07Å; G525-V529 VanDerWaalsContact O-N 3.17Å |
| 526 | N | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.9 | -32.1 | 176 | -70.7 | -66.7 | 0 | 0 | 0 | 112.7 | K452 Q521 N528 I530 L558 W559 Y563 | K452-N526 VanDerWaalsContact CD-OD1 3.26Å; K452-N526 WeakPolarHBondContact CD-OD1 3.22Å; K452-N526 VanDerWaalsContact CE-OD1 3.27Å; K452-N526 WeakPolarHBondContact CE-OD1 3.29Å; Q521-N526 PolarHBondContact OE1-ND2 3.45Å; Q521-N526 PolarHBondContact OE1-OD1 3.33Å; N526-N528 VanDerWaalsContact C-N 3.31Å; N526-N528 PolarHBondContact O-N 2.93Å; N526-I530 HydrophobicContact CB-CD1 4.04Å; N526-I530 HydrophobicContact CB-CG1 4.47Å; N526-I530 PolarHBondContact O-N 3.33Å; N526-L558 PolarHBondContact ND2-O 2.89Å; N526-W559 CarbonylContact C-O 3.56Å; N526-W559 HydrophobicContact CB-CD2 4.44Å; N526-W559 HydrophobicContact CB-CE3 3.72Å; N526-W559 HydrophobicContact CB-CZ3 3.93Å; N526-W559 PolarHBondContact N-O 2.75Å; N526-Y563 WeakPolarHBondContact ND2-CE1 3.45Å; N526-Y563 PolarHBondContact ND2-OH 2.89Å |
| 527 | G | 90.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -34.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D221 G524 G525 K531 W559 | D221-G527 VanDerWaalsContact OD1-C 3.26Å; D221-G527 VanDerWaalsContact OD1-CA 3.31Å; D221-G527 WeakPolarHBondContact OD1-CA 3.36Å; D221-G527 VanDerWaalsContact OD1-O 3.13Å; G524-G527 PolarHBondContact O-N 2.89Å; G525-G527 PolarHBondContact O-N 2.76Å; G527-K531 WeakPolarHBondContact O-CD 3.34Å; G527-K531 WeakPolarHBondContact O-CE 3.19Å; G527-K531 WeakPolarHBondContact O-CG 3.28Å; G527-K531 PolarHBondContact O-NZ 3.04Å; G527-W559 VanDerWaalsContact CA-CE2 3.44Å; G527-W559 PolarHBondContact N-O 3.38Å |
| 528 | N | 90.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 19.1 Ų | 19.1 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -87.8 | -60.1 | 172.2 | -157.9 | 66.6 | 0 | 0 | 0 | 111.7 | S225 A523 G524 G525 N526 I530 K531 E532 | S225-N528 VanDerWaalsContact CB-OD1 3.22Å; S225-N528 WeakPolarHBondContact CB-OD1 3.28Å; A523-N528 WeakPolarHBondContact O-CB 3.39Å; G524-N528 PolarHBondContact O-N 2.64Å; G525-N528 PolarHBondContact O-N 2.77Å; N526-N528 VanDerWaalsContact C-N 3.31Å; N526-N528 PolarHBondContact O-N 2.93Å; N528-I530 PolarHBondContact O-N 2.83Å; N528-K531 PolarHBondContact O-N 3.41Å; N528-K531 VanDerWaalsContact O-N 3.16Å; N528-E532 VanDerWaalsContact ND2-CD 3.32Å; N528-E532 PolarHBondContact ND2-OE2 2.8Å; N528-E532 PolarHBondContact O-N 3.08Å |
| 529 | V | 92.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | -167.6 | 64.5 | 0 | 0 | 0 | 0 | 113.6 | H519 D520 Q521 G525 K531 E532 L533 A568 | H519-V529 HydrophobicContact CB-CG2 3.58Å; D520-V529 WeakPolarHBondContact O-CB 3.35Å; D520-V529 WeakPolarHBondContact O-CG2 3.1Å; Q521-V529 HydrophobicContact CG-CG1 4.4Å; G525-V529 WeakPolarHBondContact O-CG1 3.32Å; G525-V529 PolarHBondContact O-N 3.07Å; G525-V529 VanDerWaalsContact O-N 3.17Å; V529-K531 VanDerWaalsContact C-N 3.31Å; V529-K531 PolarHBondContact O-N 3.32Å; V529-E532 PolarHBondContact O-N 2.93Å; V529-L533 VanDerWaalsContact O-CB 3.3Å; V529-L533 WeakPolarHBondContact O-CB 3.22Å; V529-L533 PolarHBondContact O-N 3.21Å; V529-A568 HydrophobicContact CG1-CB 4.16Å; V529-A568 HydrophobicContact CG2-CB 3.77Å |
| 530 | I | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.2 | -30.9 | -174.5 | -53.2 | -179.3 | 0 | 0 | 0 | 110.8 | V450 N526 N528 V534 L541 W559 A568 I602 | V450-I530 HydrophobicContact CG1-CG2 3.89Å; N526-I530 HydrophobicContact CB-CD1 4.04Å; N526-I530 HydrophobicContact CB-CG1 4.47Å; N526-I530 PolarHBondContact O-N 3.33Å; N528-I530 PolarHBondContact O-N 2.83Å; I530-V534 HydrophobicContact CG2-CG1 4.29Å; I530-V534 WeakPolarHBondContact O-CG1 3.37Å; I530-V534 VanDerWaalsContact O-CG2 3.32Å; I530-V534 WeakPolarHBondContact O-CG2 3.4Å; I530-V534 PolarHBondContact O-N 3.05Å; I530-L541 HydrophobicContact CD1-CD1 3.8Å; I530-L541 HydrophobicContact CG2-CD1 4.06Å; I530-L541 HydrophobicContact CG2-CD2 4.5Å; I530-W559 HydrophobicContact CD1-CZ3 4.28Å; I530-A568 HydrophobicContact CG1-CB 4.27Å; I530-I602 HydrophobicContact CG2-CD1 4.17Å |
| 531 | K | 92.7 | Very high | 92.3 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -45.6 | 178.2 | -59.2 | -171 | -41.5 | -133 | 0 | 111.1 | D221 S225 G527 N528 V529 L533 V534 E535 I602 L621 I624 | D221-K531 IonicContact OD1-NZ 3.45Å; D221-K531 PolarHBondContact OD1-NZ 3.32Å; D221-K531 IonicContact OD2-NZ 2.8Å; D221-K531 PolarHBondContact OD2-NZ 3.45Å; S225-K531 PolarHBondContact OG-NZ 3.16Å; G527-K531 WeakPolarHBondContact O-CD 3.34Å; G527-K531 WeakPolarHBondContact O-CE 3.19Å; G527-K531 WeakPolarHBondContact O-CG 3.28Å; G527-K531 PolarHBondContact O-NZ 3.04Å; N528-K531 PolarHBondContact O-N 3.41Å; N528-K531 VanDerWaalsContact O-N 3.16Å; V529-K531 VanDerWaalsContact C-N 3.31Å; V529-K531 PolarHBondContact O-N 3.32Å; K531-L533 VanDerWaalsContact C-N 3.34Å; K531-V534 PolarHBondContact O-N 3.26Å; K531-E535 PolarHBondContact O-N 2.79Å; K531-I602 HydrophobicContact CD-CG2 4.06Å; K531-I602 HydrophobicContact CG-CB 4.46Å; K531-I602 HydrophobicContact CG-CG1 4.26Å; K531-I602 HydrophobicContact CG-CG2 4.16Å; K531-L621 HydrophobicContact CB-CD2 4.17Å; K531-L621 HydrophobicContact CG-CD2 4.38Å; K531-I624 HydrophobicContact CD-CD1 3.58Å |
| 532 | E | 90.7 | Very high | 92.4 | Very high | 69 Ų | 69 | 22.1 Ų | 22.1 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -69 | -33.9 | 179.8 | -68.3 | 177.4 | 160.8 | 0 | 0 | 111.3 | R231 N528 V529 | R231-E532 IonicContact CZ-OE1 3.54Å; R231-E532 IonicContact NH1-OE1 3.44Å; R231-E532 PolarHBondContact NH1-OE1 3.28Å; R231-E532 IonicContact NH2-OE1 3.12Å; N528-E532 VanDerWaalsContact ND2-CD 3.32Å; N528-E532 PolarHBondContact ND2-OE2 2.8Å; N528-E532 PolarHBondContact O-N 3.08Å; V529-E532 PolarHBondContact O-N 2.93Å |
| 533 | L | 93.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.1 | -32.4 | 176.5 | -167.1 | 73.7 | 0 | 0 | 0 | 114.3 | S517 H519 V529 K531 A568 L570 | S517-L533 WeakPolarHBondContact OG-CD1 3.48Å; H519-L533 HydrophobicContact CB-CD1 4.12Å; V529-L533 VanDerWaalsContact O-CB 3.3Å; V529-L533 WeakPolarHBondContact O-CB 3.22Å; V529-L533 PolarHBondContact O-N 3.21Å; K531-L533 VanDerWaalsContact C-N 3.34Å; L533-A568 HydrophobicContact CD2-CB 3.9Å; L533-L570 HydrophobicContact CD1-CG 4.43Å; L533-L570 HydrophobicContact CD2-CD2 3.92Å; L533-L570 HydrophobicContact CD2-CG 3.83Å; L533-L570 HydrophobicContact CG-CD1 4.18Å; L533-L570 HydrophobicContact CG-CD2 4.26Å; L533-L570 HydrophobicContact CG-CG 3.81Å; L533-L570 WeakPolarHBondContact O-CD1 3.42Å |
| 534 | V | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -106.1 | -1.1 | -174.3 | -50.9 | 0 | 0 | 0 | 0 | 115 | V450 I530 K531 L537 G538 A539 L570 V596 L621 | V450-V534 HydrophobicContact CG2-CG1 4.25Å; I530-V534 HydrophobicContact CG2-CG1 4.29Å; I530-V534 WeakPolarHBondContact O-CG1 3.37Å; I530-V534 VanDerWaalsContact O-CG2 3.32Å; I530-V534 WeakPolarHBondContact O-CG2 3.4Å; I530-V534 PolarHBondContact O-N 3.05Å; K531-V534 PolarHBondContact O-N 3.26Å; V534-L537 WeakPolarHBondContact O-CA 3.35Å; V534-L537 PolarHBondContact O-N 2.73Å; V534-G538 PolarHBondContact O-N 3.02Å; V534-A539 HydrophobicContact CG1-CB 4.14Å; V534-A539 HydrophobicContact CG2-CB 4.21Å; V534-L570 HydrophobicContact CG1-CD2 4.16Å; V534-V596 HydrophobicContact CG1-CG2 4.09Å; V534-L621 HydrophobicContact CG2-CD1 4.18Å |
| 535 | E | 91.8 | Very high | 93.8 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 34% | 0.341 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 137.3 | 175 | -163.6 | 176.9 | 141 | 0 | 0 | 110.9 | P444 K531 L621 R625 | P444-E535 WeakPolarHBondContact CG-O 3.35Å; K531-E535 PolarHBondContact O-N 2.79Å; E535-L621 HydrophobicContact CB-CD1 4.24Å; E535-L621 HydrophobicContact CG-CD1 4.35Å; E535-R625 WeakPolarHBondContact OE1-CD 3.25Å; E535-R625 IonicContact OE1-CZ 2.68Å; E535-R625 IonicContact OE1-NE 2.75Å; E535-R625 PolarHBondContact OE1-NE 2.66Å; E535-R625 IonicContact OE1-NH1 3.71Å; E535-R625 PolarHBondContact OE1-NH1 3.36Å |
| 536 | P | 92.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 30.3 Ų | 30.3 | 50% | 0.5 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90 | 4.3 | 9.7 | 38.5 | -38.5 | 0 | 0 | 0 | 115.8 | ||
| 537 | L | 95.5 | Very high | 94.2 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 22% | 0.22 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -97.5 | -173.4 | -59.6 | -176.5 | 0 | 0 | 0 | 111.4 | P444 V534 V596 T597 G600 K601 | P444-L537 HydrophobicContact CB-CD1 4.26Å; P444-L537 HydrophobicContact CG-CD1 4.45Å; P444-L537 HydrophobicContact CG-CG 4.48Å; P444-L537 WeakPolarHBondContact O-CD1 3.43Å; V534-L537 WeakPolarHBondContact O-CA 3.35Å; V534-L537 PolarHBondContact O-N 2.73Å; L537-V596 HydrophobicContact CB-CG1 4.16Å; L537-V596 HydrophobicContact CD1-CG1 3.78Å; L537-T597 CarbonylContact C-O 3.46Å; L537-G600 CarbonylContact O-C 3.4Å; L537-G600 VanDerWaalsContact O-C 3.23Å; L537-G600 WeakPolarHBondContact O-CA 3.46Å; L537-G600 PolarHBondContact O-N 2.9Å; L537-K601 PolarHBondContact O-N 3.17Å |
| 538 | G | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | 155.4 | 172.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V534 V596 T597 K601 | V534-G538 PolarHBondContact O-N 3.02Å; G538-V596 CarbonylContact O-C 3.55Å; G538-V596 VanDerWaalsContact O-CA 3.31Å; G538-V596 WeakPolarHBondContact O-CA 3.15Å; G538-V596 WeakPolarHBondContact O-CG1 3.43Å; G538-T597 CarbonylContact C-O 3.53Å; G538-T597 PolarHBondContact N-O 3.25Å; G538-T597 PolarHBondContact O-N 3.25Å; G538-K601 CarbonylContact C-O 3.57Å; G538-K601 WeakPolarHBondContact CA-O 3.49Å | ||
| 539 | A | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 153.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V450 V534 L541 K595 K601 I602 T603 | V450-A539 HydrophobicContact CG2-CB 4.01Å; V534-A539 HydrophobicContact CG1-CB 4.14Å; V534-A539 HydrophobicContact CG2-CB 4.21Å; A539-L541 HydrophobicContact CB-CD2 4.18Å; A539-L541 HydrophobicContact CB-CG 4.48Å; A539-K595 CarbonylContact C-O 3.52Å; A539-K595 WeakPolarHBondContact CA-O 3.46Å; A539-K595 VanDerWaalsContact CB-O 3.31Å; A539-K595 WeakPolarHBondContact CB-O 3.28Å; A539-K601 PolarHBondContact N-O 3.26Å; A539-I602 HydrophobicContact CB-CD1 3.87Å; A539-T603 PolarHBondContact O-N 3.24Å |
| 540 | E | 97 | Very high | 93.4 | Very high | 66 Ų | 66 | 35 Ų | 35 | 31% | 0.308 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.4 | 171.8 | -170.1 | 176.2 | 171.4 | 0 | 0 | 108.9 | Y542 G594 K595 T597 H605 | E540-Y542 HydrophobicContact CG-CE2 4.24Å; E540-Y542 PolarHBondContact OE1-OH 3.44Å; E540-G594 WeakPolarHBondContact O-CA 3.24Å; E540-K595 PolarHBondContact N-O 3Å; E540-K595 PolarHBondContact O-N 2.82Å; E540-T597 HydrophobicContact CB-CG2 4.08Å; E540-H605 WeakPolarHBondContact CG-NE2 3.44Å; E540-H605 IonicContact OE1-CD2 2.68Å; E540-H605 IonicContact OE1-CE1 3.19Å; E540-H605 IonicContact OE1-NE2 3.24Å; E540-H605 PolarHBondContact OE1-NE2 3.35Å |
| 541 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154.7 | -170.6 | -51.3 | 176.2 | 0 | 0 | 0 | 110.6 | V450 I530 A539 W559 V593 I602 T603 L604 H605 | V450-L541 HydrophobicContact CB-CD2 4.05Å; V450-L541 HydrophobicContact CG1-CD2 4.04Å; V450-L541 HydrophobicContact CG2-CD2 4.29Å; I530-L541 HydrophobicContact CD1-CD1 3.8Å; I530-L541 HydrophobicContact CG2-CD1 4.06Å; I530-L541 HydrophobicContact CG2-CD2 4.5Å; A539-L541 HydrophobicContact CB-CD2 4.18Å; A539-L541 HydrophobicContact CB-CG 4.48Å; L541-W559 HydrophobicContact CD1-CH2 3.65Å; L541-W559 HydrophobicContact CD1-CZ3 3.51Å; L541-V593 WeakPolarHBondContact CA-O 3.41Å; L541-V593 HydrophobicContact CD2-CG2 4.16Å; L541-I602 HydrophobicContact CD1-CD1 3.9Å; L541-I602 HydrophobicContact CG-CD1 4.35Å; L541-T603 PolarHBondContact N-O 2.81Å; L541-L604 HydrophobicContact CB-CD1 3.87Å; L541-H605 PolarHBondContact O-CD2 3.49Å; L541-H605 PolarHBondContact O-N 3.34Å |
| 542 | Y | 95.7 | Very high | 92 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119.2 | -177.6 | -53.6 | -96.1 | 0 | 0 | 0 | 110.3 | E540 E544 R545 F546 V593 H605 | E540-Y542 HydrophobicContact CG-CE2 4.24Å; E540-Y542 PolarHBondContact OE1-OH 3.44Å; Y542-E544 PolarHBondContact O-N 2.85Å; Y542-R545 VanDerWaalsContact CD2-NH1 3.33Å; Y542-R545 VanDerWaalsContact CD2-NH2 3.32Å; Y542-R545 PolarHBondContact O-N 2.99Å; Y542-F546 WeakPolarHBondContact O-CD2 3.18Å; Y542-V593 PolarHBondContact N-O 2.86Å; Y542-V593 VanDerWaalsContact N-O 3.09Å; Y542-H605 HydrophobicContact CD1-CB 3.87Å; Y542-H605 AromaticContact CD1-CD2 3.57Å; Y542-H605 AromaticContact CD1-CG 4Å; Y542-H605 HydrophobicContact CE1-CB 4.36Å; Y542-H605 AromaticContact CE1-CD2 3.25Å; Y542-H605 WeakPolarHBondContact CE1-CD2 3.14Å; Y542-H605 AromaticContact CE1-CG 3.98Å; Y542-H605 AromaticContact CE1-NE2 3.82Å; Y542-H605 AromaticContact CZ-CD2 3.83Å |
| 543 | A | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -57.1 | -34.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | R545 F546 V555 L558 L604 H605 F607 | A543-R545 PolarHBondContact O-N 3.21Å; A543-R545 VanDerWaalsContact O-N 3.11Å; A543-F546 PolarHBondContact O-N 3.43Å; A543-V555 HydrophobicContact CB-CG2 4.22Å; A543-L558 HydrophobicContact CB-CD1 3.98Å; A543-L604 HydrophobicContact CB-CD1 4.39Å; A543-H605 VanDerWaalsContact CB-O 3.32Å; A543-H605 WeakPolarHBondContact CB-O 3.45Å; A543-H605 PolarHBondContact N-O 2.89Å; A543-F607 VanDerWaalsContact C-CE1 3.49Å; A543-F607 HydrophobicContact CB-CD1 3.89Å; A543-F607 HydrophobicContact CB-CD2 4.07Å; A543-F607 HydrophobicContact CB-CE1 3.8Å; A543-F607 HydrophobicContact CB-CE2 4.01Å; A543-F607 HydrophobicContact CB-CG 4.02Å; A543-F607 HydrophobicContact CB-CZ 3.88Å; A543-F607 VanDerWaalsContact O-CE1 3.26Å; A543-F607 WeakPolarHBondContact O-CE1 3.32Å |
| 544 | E | 93 | Very high | 91.6 | Very high | 102 Ų | 102 | 36.9 Ų | 36.9 | 48% | 0.477 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -61.9 | -11.9 | 175.6 | 68.4 | -169.8 | -158.7 | 0 | 0 | 115.6 | Y542 F607 A608 | Y542-E544 PolarHBondContact O-N 2.85Å; E544-F607 HydrophobicContact CB-CD1 4.35Å; E544-A608 WeakPolarHBondContact OE2-CA 3.28Å; E544-A608 PolarHBondContact OE2-N 3.19Å; E544-A608 VanDerWaalsContact OE2-N 3.12Å |
| 545 | R | 95.6 | Very high | 91.4 | Very high | 107 Ų | 107 | 37 Ų | 37 | 40% | 0.404 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -100 | -1.5 | -179.3 | -59.9 | -175.2 | -165.5 | 166.9 | 10.7 | 113.9 | Y542 A543 D591 I592 | Y542-R545 VanDerWaalsContact CD2-NH1 3.33Å; Y542-R545 VanDerWaalsContact CD2-NH2 3.32Å; Y542-R545 PolarHBondContact O-N 2.99Å; A543-R545 PolarHBondContact O-N 3.21Å; A543-R545 VanDerWaalsContact O-N 3.11Å; R545-D591 WeakPolarHBondContact O-CB 3.36Å; R545-I592 WeakPolarHBondContact CD-O 3.22Å |
| 546 | F | 95.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -88.1 | 132.3 | 172.4 | -67.6 | -111.6 | 0 | 0 | 0 | 109.3 | K452 V457 Y542 A543 L548 L558 V593 L604 | K452-F546 HydrophobicContact CG-CD1 4.29Å; K452-F546 HydrophobicContact CG-CE1 3.86Å; V457-F546 HydrophobicContact CG2-CB 3.98Å; V457-F546 HydrophobicContact CG2-CD1 4.18Å; Y542-F546 WeakPolarHBondContact O-CD2 3.18Å; A543-F546 PolarHBondContact O-N 3.43Å; F546-L548 HydrophobicContact CB-CD2 4.43Å; F546-L548 PolarHBondContact O-N 3.08Å; F546-L558 HydrophobicContact CB-CD1 3.93Å; F546-L558 HydrophobicContact CD1-CD1 4.49Å; F546-L558 HydrophobicContact CD1-CD2 4.27Å; F546-L558 HydrophobicContact CD1-CG 4.33Å; F546-L558 HydrophobicContact CD2-CD1 4.03Å; F546-L558 HydrophobicContact CD2-CD2 4.08Å; F546-L558 HydrophobicContact CD2-CG 4.47Å; F546-L558 HydrophobicContact CE1-CD2 4.14Å; F546-L558 HydrophobicContact CE2-CD2 3.95Å; F546-L558 HydrophobicContact CG-CD1 3.92Å; F546-L558 HydrophobicContact CG-CD2 4.25Å; F546-L558 HydrophobicContact CG-CG 4.24Å; F546-L558 HydrophobicContact CZ-CD2 3.99Å; F546-V593 HydrophobicContact CD1-CG1 3.79Å; F546-V593 HydrophobicContact CD2-CB 4.13Å; F546-V593 HydrophobicContact CD2-CG1 3.63Å; F546-V593 HydrophobicContact CE1-CB 4.35Å; F546-V593 HydrophobicContact CE1-CG1 3.77Å; F546-V593 HydrophobicContact CE2-CB 3.66Å; F546-V593 HydrophobicContact CE2-CG1 3.61Å; F546-V593 HydrophobicContact CG-CG1 3.72Å; F546-V593 HydrophobicContact CZ-CB 3.79Å; F546-V593 HydrophobicContact CZ-CG1 3.68Å; F546-V593 HydrophobicContact CZ-CG2 4.22Å; F546-L604 HydrophobicContact CE2-CD1 4.32Å |
| 547 | T | 94.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 26% | 0.264 | 16% | 0.163 | S | C | . | . | trans | -68.4 | 113.5 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 109.1 | P456 V457 Y589 D591 | P456-T547 CarbonylContact C-O 3.49Å; P456-T547 VanDerWaalsContact CA-O 3.3Å; P456-T547 WeakPolarHBondContact CA-O 3.21Å; P456-T547 HydrophobicContact CB-CG2 3.78Å; P456-T547 VanDerWaalsContact CB-O 3.25Å; P456-T547 WeakPolarHBondContact CB-O 3.02Å; V457-T547 PolarHBondContact N-O 3.26Å; T547-Y589 HydrophobicContact CG2-CD1 3.75Å; T547-Y589 HydrophobicContact CG2-CE1 3.72Å; T547-D591 VanDerWaalsContact CB-OD2 3.28Å; T547-D591 WeakPolarHBondContact CB-OD2 3.23Å; T547-D591 PolarHBondContact N-OD2 3.47Å; T547-D591 PolarHBondContact OG1-OD1 3.28Å; T547-D591 PolarHBondContact OG1-OD2 2.97Å; T547-D591 VanDerWaalsContact OG1-OD2 3.09Å | ||
| 548 | L | 91.4 | Very high | 91.1 | Very high | 48 Ų | 48 | 29.7 Ų | 29.7 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | B | Isolated β-bridge | trans | -87.3 | 129 | 177.8 | -51.7 | -176 | 0 | 0 | 0 | 111.1 | V457 F546 V553 L558 F607 | V457-L548 HydrophobicContact CB-CD2 3.96Å; V457-L548 HydrophobicContact CG1-CD2 4.48Å; V457-L548 HydrophobicContact CG2-CD2 4.1Å; F546-L548 HydrophobicContact CB-CD2 4.43Å; F546-L548 PolarHBondContact O-N 3.08Å; L548-V553 HydrophobicContact CD2-CB 4.48Å; L548-V553 HydrophobicContact CD2-CG1 4.34Å; L548-L558 HydrophobicContact CD2-CD1 4.02Å; L548-F607 HydrophobicContact CD1-CE1 3.86Å; L548-F607 HydrophobicContact CD1-CZ 4.02Å; L548-F607 HydrophobicContact CD2-CE1 4.31Å; L548-F607 HydrophobicContact CD2-CZ 4.28Å; L548-F607 HydrophobicContact CG-CE1 4.49Å |
| 549 | G | 85.4 | Confident | 91 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -80.4 | -21 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | V457 F458 | V457-G549 WeakPolarHBondContact O-CA 3.36Å; V457-G549 PolarHBondContact O-N 2.95Å; F458-G549 VanDerWaalsContact CE1-CA 3.42Å; F458-G549 WeakPolarHBondContact CE1-O 3.21Å |
| 550 | D | 79.7 | Confident | 90.5 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -129.4 | 124.8 | 166.9 | 172.3 | 12.8 | 0 | 0 | 0 | 110.5 | Q164 V457 R459 Q552 V553 | Q164-D550 PolarHBondContact NE2-OD1 2.72Å; Q164-D550 PolarHBondContact NE2-OD2 2.65Å; Q164-D550 PolarHBondContact OE1-OD1 3.31Å; V457-D550 PolarHBondContact O-N 3.35Å; R459-D550 WeakPolarHBondContact CD-OD2 3.45Å; D550-Q552 PolarHBondContact O-N 3.12Å; D550-Q552 PolarHBondContact OD1-N 3.12Å; D550-V553 HydrophobicContact CB-CG2 4.04Å; D550-V553 WeakPolarHBondContact O-CB 3.42Å; D550-V553 VanDerWaalsContact O-CG2 3.26Å; D550-V553 WeakPolarHBondContact O-CG2 2.91Å; D550-V553 PolarHBondContact O-N 3.05Å |
| 551 | S | 78.2 | Confident | 89.9 | Confident | 63 Ų | 63 | 26.5 Ų | 26.5 | 44% | 0.441 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.5 | 177.3 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | R167 | R167-S551 PolarHBondContact NH2-O 3.05Š|
| 552 | Q | 81.2 | Confident | 89.4 | Confident | 53 Ų | 53 | 27.3 Ų | 27.3 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.9 | -175.1 | -59.2 | -52.2 | -65.4 | 0 | 0 | 114.3 | Q164 P165 R167 D550 S554 | Q164-Q552 HydrophobicContact CB-CB 4.46Å; Q164-Q552 HydrophobicContact CB-CG 3.88Å; P165-Q552 VanDerWaalsContact O-CB 3.23Å; P165-Q552 WeakPolarHBondContact O-CB 3.27Å; P165-Q552 WeakPolarHBondContact O-CG 3.12Å; R167-Q552 WeakPolarHBondContact CA-O 3.3Å; D550-Q552 PolarHBondContact O-N 3.12Å; D550-Q552 PolarHBondContact OD1-N 3.12Å; Q552-S554 PolarHBondContact O-N 3Å |
| 553 | V | 86.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -50.2 | 125.5 | 167.7 | 164.4 | 0 | 0 | 0 | 0 | 110.1 | R167 V457 R459 L548 D550 E557 L558 | R167-V553 WeakPolarHBondContact CD-O 3.38Å; R167-V553 WeakPolarHBondContact CG-O 3.25Å; R167-V553 PolarHBondContact NE-O 3.27Å; V457-V553 HydrophobicContact CG1-CG1 3.88Å; V457-V553 HydrophobicContact CG1-CG2 4.32Å; R459-V553 HydrophobicContact CG-CG2 3.66Å; L548-V553 HydrophobicContact CD2-CB 4.48Å; L548-V553 HydrophobicContact CD2-CG1 4.34Å; D550-V553 HydrophobicContact CB-CG2 4.04Å; D550-V553 WeakPolarHBondContact O-CB 3.42Å; D550-V553 VanDerWaalsContact O-CG2 3.26Å; D550-V553 WeakPolarHBondContact O-CG2 2.91Å; D550-V553 PolarHBondContact O-N 3.05Å; V553-E557 HydrophobicContact CG1-CB 4.19Å; V553-L558 HydrophobicContact CG1-CB 3.91Å | ||
| 554 | S | 88.9 | Confident | 89 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | trans | -76 | 161.1 | 169.3 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | E168 Q552 C556 E557 L558 | E168-S554 WeakPolarHBondContact O-CB 3.42Å; Q552-S554 PolarHBondContact O-N 3Å; S554-C556 PolarHBondContact O-N 3.34Å; S554-E557 VanDerWaalsContact CB-OE2 3.28Å; S554-E557 WeakPolarHBondContact CB-OE2 3.44Å; S554-E557 PolarHBondContact N-OE2 3.23Å; S554-E557 PolarHBondContact O-N 3.33Å; S554-E557 VanDerWaalsContact OG-CD 3.27Å; S554-E557 VanDerWaalsContact OG-CG 3.31Å; S554-E557 WeakPolarHBondContact OG-CG 3.36Å; S554-E557 PolarHBondContact OG-N 3Å; S554-E557 VanDerWaalsContact OG-N 3.17Å; S554-E557 PolarHBondContact OG-OE2 3.21Å; S554-L558 PolarHBondContact O-N 3.36Å | ||
| 555 | V | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.3 | -21.6 | 175.4 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | Y170 V217 A543 W559 L604 F607 P616 | Y170-V555 HydrophobicContact CD1-CG1 4.01Å; Y170-V555 HydrophobicContact CG-CG1 4.4Å; V217-V555 HydrophobicContact CG2-CG1 4.16Å; A543-V555 HydrophobicContact CB-CG2 4.22Å; V555-W559 WeakPolarHBondContact O-CB 3.26Å; V555-W559 PolarHBondContact O-N 3.45Å; V555-L604 HydrophobicContact CG2-CD2 3.57Å; V555-L604 HydrophobicContact CG2-CG 4.31Å; V555-F607 HydrophobicContact CB-CE2 4.4Å; V555-P616 HydrophobicContact CG1-CB 3.88Å; V555-P616 HydrophobicContact CG1-CG 4.17Å; V555-P616 HydrophobicContact CG2-CB 4.23Å; V555-P616 HydrophobicContact CG2-CG 3.8Å |
| 556 | C | 90.7 | Very high | 89.1 | Confident | 18 Ų | 18 | 15.9 Ų | 15.9 | 12% | 0.122 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.8 | -48.3 | 170.2 | -163.7 | 0 | 0 | 0 | 0 | 111.3 | V217 S554 W559 A560 | V217-C556 HydrophobicContact CG2-CB 3.99Å; S554-C556 PolarHBondContact O-N 3.34Å; C556-W559 PolarHBondContact O-N 3.16Å; C556-A560 PolarHBondContact O-N 3.16Å |
| 557 | E | 89.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 15.5 Ų | 15.5 | 9% | 0.093 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 178 | -69.1 | 158.6 | 133.4 | 0 | 0 | 111.5 | R459 M462 V553 S554 W559 A560 A561 | R459-E557 IonicContact CZ-OE1 2.94Å; R459-E557 IonicContact CZ-OE2 3.75Å; R459-E557 IonicContact NE-OE1 3.45Å; R459-E557 PolarHBondContact NE-OE1 3.3Å; R459-E557 IonicContact NE-OE2 3.78Å; R459-E557 PolarHBondContact NE-OE2 3.03Å; R459-E557 IonicContact NH2-OE1 2.73Å; R459-E557 PolarHBondContact NH2-OE1 3.31Å; R459-E557 IonicContact NH2-OE2 2.9Å; R459-E557 PolarHBondContact NH2-OE2 2.82Å; M462-E557 HydrophobicContact CE-CG 3.99Å; M462-E557 HydrophobicContact CG-CG 4.13Å; M462-E557 HydrophobicContact SD-CB 4.19Å; M462-E557 HydrophobicContact SD-CG 3.78Å; V553-E557 HydrophobicContact CG1-CB 4.19Å; S554-E557 VanDerWaalsContact CB-OE2 3.28Å; S554-E557 WeakPolarHBondContact CB-OE2 3.44Å; S554-E557 PolarHBondContact N-OE2 3.23Å; S554-E557 PolarHBondContact O-N 3.33Å; S554-E557 VanDerWaalsContact OG-CD 3.27Å; S554-E557 VanDerWaalsContact OG-CG 3.31Å; S554-E557 WeakPolarHBondContact OG-CG 3.36Å; S554-E557 PolarHBondContact OG-N 3Å; S554-E557 VanDerWaalsContact OG-N 3.17Å; S554-E557 PolarHBondContact OG-OE2 3.21Å; E557-W559 PolarHBondContact O-N 3.22Å; E557-A560 PolarHBondContact O-N 3.41Å; E557-A561 WeakPolarHBondContact O-CB 3.14Å; E557-A561 PolarHBondContact O-N 3.07Å |
| 558 | L | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.5 | -38.4 | 173.2 | -178.9 | 152.7 | 0 | 0 | 0 | 112.3 | V457 N526 A543 F546 L548 V553 S554 L604 F607 | V457-L558 HydrophobicContact CG1-CB 4.36Å; N526-L558 PolarHBondContact ND2-O 2.89Å; A543-L558 HydrophobicContact CB-CD1 3.98Å; F546-L558 HydrophobicContact CB-CD1 3.93Å; F546-L558 HydrophobicContact CD1-CD1 4.49Å; F546-L558 HydrophobicContact CD1-CD2 4.27Å; F546-L558 HydrophobicContact CD1-CG 4.33Å; F546-L558 HydrophobicContact CD2-CD1 4.03Å; F546-L558 HydrophobicContact CD2-CD2 4.08Å; F546-L558 HydrophobicContact CD2-CG 4.47Å; F546-L558 HydrophobicContact CE1-CD2 4.14Å; F546-L558 HydrophobicContact CE2-CD2 3.95Å; F546-L558 HydrophobicContact CG-CD1 3.92Å; F546-L558 HydrophobicContact CG-CD2 4.25Å; F546-L558 HydrophobicContact CG-CG 4.24Å; F546-L558 HydrophobicContact CZ-CD2 3.99Å; L548-L558 HydrophobicContact CD2-CD1 4.02Å; V553-L558 HydrophobicContact CG1-CB 3.91Å; S554-L558 PolarHBondContact O-N 3.36Å; L558-L604 HydrophobicContact CD2-CD1 4.37Å; L558-L604 HydrophobicContact CD2-CD2 4.13Å; L558-F607 HydrophobicContact CD1-CE1 4.18Å; L558-F607 HydrophobicContact CD1-CZ 3.71Å |
| 559 | W | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -80.2 | -43.9 | -177.7 | -162.4 | -120.6 | 0 | 0 | 0 | 112.9 | V217 D221 N526 G527 I530 L541 V555 C556 E557 I602 L604 V617 | V217-W559 HydrophobicContact CG1-CB 3.97Å; V217-W559 HydrophobicContact CG1-CG 4.13Å; D221-W559 PolarHBondContact OD2-NE1 2.86Å; N526-W559 CarbonylContact C-O 3.56Å; N526-W559 HydrophobicContact CB-CD2 4.44Å; N526-W559 HydrophobicContact CB-CE3 3.72Å; N526-W559 HydrophobicContact CB-CZ3 3.93Å; N526-W559 PolarHBondContact N-O 2.75Å; G527-W559 VanDerWaalsContact CA-CE2 3.44Å; G527-W559 PolarHBondContact N-O 3.38Å; I530-W559 HydrophobicContact CD1-CZ3 4.28Å; L541-W559 HydrophobicContact CD1-CH2 3.65Å; L541-W559 HydrophobicContact CD1-CZ3 3.51Å; V555-W559 WeakPolarHBondContact O-CB 3.26Å; V555-W559 PolarHBondContact O-N 3.45Å; C556-W559 PolarHBondContact O-N 3.16Å; E557-W559 PolarHBondContact O-N 3.22Å; W559-I602 HydrophobicContact CH2-CD1 4.16Å; W559-I602 HydrophobicContact CH2-CG1 3.77Å; W559-I602 HydrophobicContact CZ2-CG1 3.89Å; W559-L604 HydrophobicContact CB-CD2 4.28Å; W559-L604 HydrophobicContact CD2-CD2 4.04Å; W559-L604 HydrophobicContact CE3-CD2 3.71Å; W559-L604 HydrophobicContact CE3-CG 4.48Å; W559-L604 HydrophobicContact CG-CD2 4.32Å; W559-L604 HydrophobicContact CZ3-CB 4.49Å; W559-L604 HydrophobicContact CZ3-CD2 4.39Å; W559-V617 HydrophobicContact CD2-CG2 4.25Å; W559-V617 HydrophobicContact CG-CG2 4.16Å; W559-V617 HydrophobicContact CZ2-CG1 4.23Å |
| 560 | A | 88.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -114.9 | -6.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | F220 C556 E557 | F220-A560 HydrophobicContact CD1-CB 3.57Å; F220-A560 HydrophobicContact CE1-CB 4.03Å; C556-A560 PolarHBondContact O-N 3.16Å; E557-A560 PolarHBondContact O-N 3.41Å |
| 561 | A | 83.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 136.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V460 M462 E557 Y563 | V460-A561 WeakPolarHBondContact O-CB 3.35Å; M462-A561 HydrophobicContact CG-CB 4.49Å; M462-A561 HydrophobicContact SD-CB 3.77Å; E557-A561 WeakPolarHBondContact O-CB 3.14Å; E557-A561 PolarHBondContact O-N 3.07Å; A561-Y563 HydrophobicContact CB-CD1 4.39Å; A561-Y563 WeakPolarHBondContact O-CD1 3.44Å; A561-Y563 PolarHBondContact O-N 2.82Å |
| 562 | E | 85.5 | Confident | 92 | Very high | 16 Ų | 16 | 7.3 Ų | 7.3 | 8% | 0.075 | 4% | 0.04 | C | C | . | . | trans | -83.6 | 51.4 | 177.7 | -59.4 | 171.3 | -179.8 | 0 | 0 | 110.5 | V460 G461 G464 G465 G524 Q564 | V460-E562 PolarHBondContact O-N 3.23Å; G461-E562 WeakPolarHBondContact O-CB 3.22Å; G461-E562 WeakPolarHBondContact O-CG 3.4Å; G461-E562 PolarHBondContact O-N 3.23Å; G461-E562 VanDerWaalsContact O-N 3.15Å; G464-E562 WeakPolarHBondContact CA-OE2 3.28Å; G464-E562 PolarHBondContact N-OE1 2.98Å; G465-E562 PolarHBondContact N-OE1 2.72Å; G524-E562 PolarHBondContact N-OE1 3.16Å; E562-Q564 PolarHBondContact O-NE2 2.71Å | ||
| 563 | Y | 89.5 | Confident | 92.6 | Very high | 5 Ų | 5 | 8.9 Ų | 8.9 | 2% | 0.02 | 6% | 0.056 | C | C | . | . | trans | -69 | 145.2 | 174.9 | 70.9 | -91.9 | 0 | 0 | 0 | 110.8 | K452 V457 Q521 N526 A561 | K452-Y563 WeakPolarHBondContact CE-OH 3.07Å; V457-Y563 HydrophobicContact CB-CE1 4.28Å; V457-Y563 HydrophobicContact CG1-CD1 4.05Å; V457-Y563 HydrophobicContact CG1-CE1 3.87Å; V457-Y563 HydrophobicContact CG2-CE1 4.05Å; V457-Y563 HydrophobicContact CG2-CE2 4.34Å; Q521-Y563 VanDerWaalsContact NE2-CD1 3.29Å; Q521-Y563 VanDerWaalsContact NE2-CD2 3.3Å; Q521-Y563 VanDerWaalsContact NE2-CE2 3.26Å; Q521-Y563 VanDerWaalsContact NE2-CG 3.32Å; Q521-Y563 PolarHBondContact NE2-O 2.97Å; Q521-Y563 PolarHBondContact OE1-OH 3.36Å; N526-Y563 WeakPolarHBondContact ND2-CE1 3.45Å; N526-Y563 PolarHBondContact ND2-OH 2.89Å; A561-Y563 HydrophobicContact CB-CD1 4.39Å; A561-Y563 WeakPolarHBondContact O-CD1 3.44Å; A561-Y563 PolarHBondContact O-N 2.82Å | ||
| 564 | Q | 91.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 8% | 0.075 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -96.3 | 176.4 | -163.7 | -60.3 | -63.8 | -45.2 | 0 | 0 | 112.9 | T325 R490 E562 S566 | T325-Q564 HydrophobicContact CG2-CG 3.73Å; R490-Q564 WeakPolarHBondContact O-CG 3.31Å; E562-Q564 PolarHBondContact O-NE2 2.71Å; Q564-S566 VanDerWaalsContact C-N 3.3Å; Q564-S566 PolarHBondContact O-N 2.8Å |
| 565 | E | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 56.5 | 35 | 174.1 | -63.7 | 90.3 | -146.6 | 0 | 0 | 114.7 | R332 Y392 G454 G455 R490 G491 D492 M495 E496 | R332-E565 VanDerWaalsContact NH1-N 3.14Å; Y392-E565 WeakPolarHBondContact CE2-OE1 3.41Å; Y392-E565 WeakPolarHBondContact OH-CG 3.46Å; Y392-E565 PolarHBondContact OH-OE1 2.82Å; G454-E565 CarbonylContact C-O 3.54Å; G454-E565 VanDerWaalsContact CA-O 3.24Å; G454-E565 WeakPolarHBondContact CA-O 3.47Å; G455-E565 PolarHBondContact N-O 2.85Å; R490-E565 IonicContact NH1-OE2 2.66Å; G491-E565 VanDerWaalsContact CA-OE1 3.26Å; G491-E565 WeakPolarHBondContact CA-OE1 3.02Å; D492-E565 WeakPolarHBondContact CB-OE2 3.19Å; D492-E565 PolarHBondContact N-OE1 2.93Å; D492-E565 PolarHBondContact N-OE2 2.9Å; D492-E565 VanDerWaalsContact N-OE2 3.14Å; D492-E565 WeakPolarHBondContact O-CG 3.35Å; M495-E565 HydrophobicContact CB-CB 3.96Å; M495-E565 HydrophobicContact CB-CG 4.17Å; M495-E565 HydrophobicContact CG-CB 3.84Å; E496-E565 HydrophobicContact CB-CB 4.48Å; E496-E565 HydrophobicContact CB-CG 3.72Å; E496-E565 WeakPolarHBondContact OE2-CA 3.19Å |
| 566 | S | 95.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.7 | -176.6 | -173.5 | 0 | 0 | 0 | 0 | 114 | K452 L453 Q521 Q564 | K452-S566 WeakPolarHBondContact CE-OG 3.12Å; K452-S566 PolarHBondContact NZ-OG 3.01Å; L453-S566 CarbonylContact O-C 3.55Å; L453-S566 WeakPolarHBondContact O-CA 3.5Å; L453-S566 WeakPolarHBondContact O-CB 3.18Å; L453-S566 PolarHBondContact O-OG 2.72Å; Q521-S566 WeakPolarHBondContact CA-O 3.39Å; Q521-S566 WeakPolarHBondContact CB-O 3.29Å; Q521-S566 PolarHBondContact N-O 3.48Å; Q564-S566 VanDerWaalsContact C-N 3.3Å; Q564-S566 PolarHBondContact O-N 2.8Å |
| 567 | D | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 167.7 | 177.6 | -86.8 | 23.4 | 0 | 0 | 0 | 111.3 | R332 H335 K452 L453 L499 I518 H519 D520 L569 | R332-D567 WeakPolarHBondContact CD-OD1 3.43Å; H335-D567 IonicContact CD2-OD2 2.81Å; H335-D567 PolarHBondContact CD2-OD2 2.81Å; H335-D567 IonicContact NE2-OD1 2.71Å; H335-D567 IonicContact NE2-OD2 2.95Å; H335-D567 PolarHBondContact NE2-OD2 2.86Å; K452-D567 WeakPolarHBondContact CD-O 3.16Å; K452-D567 WeakPolarHBondContact CE-O 3.4Å; K452-D567 PolarHBondContact NZ-O 3Å; L453-D567 PolarHBondContact N-O 3.35Å; L453-D567 VanDerWaalsContact N-O 3.15Å; L453-D567 PolarHBondContact O-N 2.84Å; L499-D567 HydrophobicContact CD1-CB 4.17Å; I518-D567 HydrophobicContact CD1-CB 4.44Å; I518-D567 VanDerWaalsContact CD1-OD2 3.26Å; I518-D567 WeakPolarHBondContact CD1-OD2 3.19Å; I518-D567 HydrophobicContact CG1-CB 4.34Å; I518-D567 WeakPolarHBondContact CG1-OD2 3.38Å; H519-D567 WeakPolarHBondContact O-CA 3.36Å; D520-D567 WeakPolarHBondContact CA-OD1 3.49Å; D567-L569 HydrophobicContact CB-CD1 4.37Å |
| 568 | A | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | I451 K452 I518 H519 V529 I530 L533 | I451-A568 CarbonylContact O-C 3.56Å; I451-A568 WeakPolarHBondContact O-CA 3.15Å; K452-A568 HydrophobicContact CD-CB 3.98Å; I518-A568 CarbonylContact C-O 3.53Å; I518-A568 WeakPolarHBondContact CA-O 2.96Å; H519-A568 PolarHBondContact N-O 2.79Å; H519-A568 PolarHBondContact O-N 3.48Å; V529-A568 HydrophobicContact CG1-CB 4.16Å; V529-A568 HydrophobicContact CG2-CB 3.77Å; I530-A568 HydrophobicContact CG1-CB 4.27Å; L533-A568 HydrophobicContact CD2-CB 3.9Å |
| 569 | L | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151 | -174.1 | -52.6 | 89.9 | 0 | 0 | 0 | 112.7 | I451 L453 I515 S517 I518 D567 V571 | I451-L569 HydrophobicContact CB-CB 4.4Å; I451-L569 HydrophobicContact CG2-CD1 4.3Å; I451-L569 PolarHBondContact N-O 3.31Å; I451-L569 PolarHBondContact O-N 3.03Å; L453-L569 HydrophobicContact CB-CD1 3.4Å; L453-L569 HydrophobicContact CD2-CD1 3.94Å; L453-L569 HydrophobicContact CD2-CD2 4.2Å; L453-L569 HydrophobicContact CG-CD1 4.29Å; I515-L569 HydrophobicContact CD1-CD2 3.96Å; I515-L569 HydrophobicContact CG1-CD2 3.9Å; I515-L569 HydrophobicContact CG2-CD2 4.37Å; S517-L569 WeakPolarHBondContact O-CA 3.4Å; I518-L569 HydrophobicContact CB-CD2 4.44Å; I518-L569 HydrophobicContact CB-CG 4.27Å; I518-L569 HydrophobicContact CD1-CD2 3.73Å; I518-L569 HydrophobicContact CD1-CG 3.98Å; I518-L569 HydrophobicContact CG1-CD2 4.22Å; I518-L569 HydrophobicContact CG1-CG 3.96Å; D567-L569 HydrophobicContact CB-CD1 4.37Å; L569-V571 HydrophobicContact CB-CG2 4.38Å |
| 570 | L | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.2 | 164.6 | -60.2 | -174.5 | 0 | 0 | 0 | 110.9 | P444 M448 F449 V450 S516 S517 L533 V534 V596 | P444-L570 HydrophobicContact CB-CD1 3.66Å; M448-L570 HydrophobicContact SD-CB 4.2Å; M448-L570 HydrophobicContact SD-CD1 4.45Å; F449-L570 WeakPolarHBondContact O-CA 3.45Å; V450-L570 HydrophobicContact CG2-CD2 3.92Å; S516-L570 WeakPolarHBondContact CB-O 3.5Å; S516-L570 PolarHBondContact N-O 3.19Å; S517-L570 PolarHBondContact O-N 3.25Å; L533-L570 HydrophobicContact CD1-CG 4.43Å; L533-L570 HydrophobicContact CD2-CD2 3.92Å; L533-L570 HydrophobicContact CD2-CG 3.83Å; L533-L570 HydrophobicContact CG-CD1 4.18Å; L533-L570 HydrophobicContact CG-CD2 4.26Å; L533-L570 HydrophobicContact CG-CG 3.81Å; L533-L570 WeakPolarHBondContact O-CD1 3.42Å; V534-L570 HydrophobicContact CG1-CD2 4.16Å; L570-V596 HydrophobicContact CD1-CG2 4.3Å; L570-V596 HydrophobicContact CD2-CG2 3.65Å |
| 571 | V | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 139.1 | -177.1 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | F449 I451 P514 L569 K575 V576 V579 | F449-V571 PolarHBondContact N-O 3.2Å; F449-V571 PolarHBondContact O-N 3.13Å; I451-V571 HydrophobicContact CD1-CB 4Å; I451-V571 HydrophobicContact CD1-CG2 3.71Å; P514-V571 HydrophobicContact CB-CG1 4.34Å; L569-V571 HydrophobicContact CB-CG2 4.38Å; V571-K575 HydrophobicContact CG1-CB 4.09Å; V571-V576 HydrophobicContact CG1-CB 4.34Å; V571-V579 HydrophobicContact CG1-CG2 3.97Å; V571-V579 HydrophobicContact CG2-CG2 4.09Å |
| 572 | G | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 11% | 0.113 | 16% | 0.161 | C | C | . | . | trans | -67.2 | 149 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D574 K575 V576 | G572-D574 WeakPolarHBondContact CA-OD1 3.3Å; G572-D574 PolarHBondContact O-N 3.3Å; G572-K575 PolarHBondContact O-N 2.69Å; G572-V576 PolarHBondContact O-N 3.16Å | ||
| 573 | S | 93.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 29 Ų | 29 | 60% | 0.601 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19.4 | 179.4 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 574 | D | 94.6 | Very high | 96.1 | Very high | 124 Ų | 124 | 34.5 Ų | 34.5 | 66% | 0.663 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -21.1 | 170.3 | 62.6 | -45.8 | 0 | 0 | 0 | 113.6 | G572 | G572-D574 WeakPolarHBondContact CA-OD1 3.3Å; G572-D574 PolarHBondContact O-N 3.3Å |
| 575 | K | 95.3 | Very high | 96.3 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -8.4 | -172.9 | -60.8 | -151.5 | 167.9 | -160.9 | 0 | 115.6 | E512 P514 V571 G572 E577 T578 | E512-K575 PolarHBondContact O-NZ 2.87Å; E512-K575 IonicContact OE2-NZ 3.77Å; E512-K575 PolarHBondContact OE2-NZ 3.06Å; P514-K575 HydrophobicContact CB-CB 3.77Å; P514-K575 HydrophobicContact CB-CD 4.22Å; V571-K575 HydrophobicContact CG1-CB 4.09Å; G572-K575 PolarHBondContact O-N 2.69Å; K575-E577 VanDerWaalsContact C-N 3.3Å; K575-E577 PolarHBondContact O-N 3.17Å; K575-T578 WeakPolarHBondContact O-CB 3.35Å; K575-T578 PolarHBondContact O-N 2.92Å; K575-T578 VanDerWaalsContact O-N 3.11Å |
| 576 | V | 95.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -40.5 | -177.5 | 66.4 | 0 | 0 | 0 | 0 | 113.3 | F449 I451 V571 G572 T578 V579 L580 I592 | F449-V576 HydrophobicContact CD2-CB 3.9Å; F449-V576 HydrophobicContact CD2-CG1 4.09Å; F449-V576 HydrophobicContact CD2-CG2 3.93Å; F449-V576 HydrophobicContact CE2-CB 4.21Å; F449-V576 HydrophobicContact CE2-CG1 3.87Å; F449-V576 HydrophobicContact CE2-CG2 4.37Å; F449-V576 HydrophobicContact CG-CG2 4.42Å; I451-V576 HydrophobicContact CD1-CG2 4.02Å; V571-V576 HydrophobicContact CG1-CB 4.34Å; G572-V576 PolarHBondContact O-N 3.16Å; V576-T578 VanDerWaalsContact C-N 3.29Å; V576-T578 PolarHBondContact O-N 2.97Å; V576-V579 PolarHBondContact O-N 2.7Å; V576-V579 VanDerWaalsContact O-N 3.11Å; V576-L580 HydrophobicContact CG2-CD1 4.45Å; V576-L580 PolarHBondContact O-N 2.86Å; V576-I592 HydrophobicContact CG2-CD1 3.7Å; V576-I592 HydrophobicContact CG2-CG1 4.48Å |
| 577 | E | 95.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 35.6 Ų | 35.6 | 49% | 0.486 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -35.2 | 179.1 | -178.8 | 58.5 | -157.7 | 0 | 0 | 112.4 | K575 V579 L580 Q581 | K575-E577 VanDerWaalsContact C-N 3.3Å; K575-E577 PolarHBondContact O-N 3.17Å; E577-V579 VanDerWaalsContact C-N 3.33Å; E577-V579 PolarHBondContact O-N 3.09Å; E577-L580 PolarHBondContact O-N 2.78Å; E577-Q581 WeakPolarHBondContact O-CB 3.49Å; E577-Q581 VanDerWaalsContact O-CG 3.29Å; E577-Q581 WeakPolarHBondContact O-CG 3.23Å; E577-Q581 PolarHBondContact O-N 3.26Å; E577-Q581 PolarHBondContact OE1-NE2 2.85Å |
| 578 | T | 95.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 29% | 0.294 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -39 | 175.8 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | L509 P514 K575 V576 I582 | L509-T578 HydrophobicContact CD1-CG2 4.03Å; P514-T578 HydrophobicContact CG-CG2 4.48Å; K575-T578 WeakPolarHBondContact O-CB 3.35Å; K575-T578 PolarHBondContact O-N 2.92Å; K575-T578 VanDerWaalsContact O-N 3.11Å; V576-T578 VanDerWaalsContact C-N 3.29Å; V576-T578 PolarHBondContact O-N 2.97Å; T578-I582 HydrophobicContact CG2-CD1 4.05Å; T578-I582 VanDerWaalsContact O-CG1 3.27Å; T578-I582 WeakPolarHBondContact O-CG1 3.46Å; T578-I582 PolarHBondContact O-N 2.99Å; T578-I582 VanDerWaalsContact O-N 3.08Å |
| 579 | V | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -42.9 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | P514 V571 V576 E577 Q581 I582 A583 | P514-V579 HydrophobicContact CB-CG2 3.56Å; P514-V579 HydrophobicContact CG-CG2 3.46Å; P514-V579 VanDerWaalsContact CG-CG2 3.46Å; V571-V579 HydrophobicContact CG1-CG2 3.97Å; V571-V579 HydrophobicContact CG2-CG2 4.09Å; V576-V579 PolarHBondContact O-N 2.7Å; V576-V579 VanDerWaalsContact O-N 3.11Å; E577-V579 VanDerWaalsContact C-N 3.33Å; E577-V579 PolarHBondContact O-N 3.09Å; V579-Q581 VanDerWaalsContact C-N 3.34Å; V579-Q581 PolarHBondContact O-N 3.49Å; V579-I582 PolarHBondContact O-N 3.14Å; V579-A583 VanDerWaalsContact O-CB 3.27Å; V579-A583 WeakPolarHBondContact O-CB 3.49Å; V579-A583 PolarHBondContact O-N 2.78Å |
| 580 | L | 97.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 29% | 0.293 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.9 | -67.3 | 172.9 | 0 | 0 | 0 | 112 | V576 E577 K584 C590 I592 | V576-L580 HydrophobicContact CG2-CD1 4.45Å; V576-L580 PolarHBondContact O-N 2.86Å; E577-L580 PolarHBondContact O-N 2.78Å; L580-K584 WeakPolarHBondContact O-CB 3.26Å; L580-K584 PolarHBondContact O-N 3.42Å; L580-C590 HydrophobicContact CD2-CB 4.39Å; L580-I592 HydrophobicContact CD1-CD1 4.28Å; L580-I592 HydrophobicContact CD2-CD1 4.47Å |
| 581 | Q | 96 | Very high | 96.1 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 43% | 0.425 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.3 | -43.7 | 177.9 | -72.8 | 175.9 | 11.2 | 0 | 0 | 112.4 | E577 V579 K584 R585 | E577-Q581 WeakPolarHBondContact O-CB 3.49Å; E577-Q581 VanDerWaalsContact O-CG 3.29Å; E577-Q581 WeakPolarHBondContact O-CG 3.23Å; E577-Q581 PolarHBondContact O-N 3.26Å; E577-Q581 PolarHBondContact OE1-NE2 2.85Å; V579-Q581 VanDerWaalsContact C-N 3.34Å; V579-Q581 PolarHBondContact O-N 3.49Å; Q581-K584 PolarHBondContact O-N 3.12Å; Q581-R585 WeakPolarHBondContact O-CB 3.49Å; Q581-R585 PolarHBondContact O-N 2.89Å |
| 582 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.9 | -66.6 | 168.5 | 0 | 0 | 0 | 110.4 | A290 V502 A505 L509 T578 V579 K584 R585 E586 | A290-I582 HydrophobicContact CB-CD1 4.46Å; A290-I582 HydrophobicContact CB-CG1 3.66Å; V502-I582 HydrophobicContact CB-CG2 4.21Å; V502-I582 HydrophobicContact CG1-CG2 3.88Å; V502-I582 HydrophobicContact CG2-CG2 4.3Å; A505-I582 HydrophobicContact CB-CD1 4.37Å; A505-I582 HydrophobicContact CB-CG2 3.53Å; L509-I582 HydrophobicContact CD1-CD1 4.16Å; T578-I582 HydrophobicContact CG2-CD1 4.05Å; T578-I582 VanDerWaalsContact O-CG1 3.27Å; T578-I582 WeakPolarHBondContact O-CG1 3.46Å; T578-I582 PolarHBondContact O-N 2.99Å; T578-I582 VanDerWaalsContact O-N 3.08Å; V579-I582 PolarHBondContact O-N 3.14Å; I582-K584 VanDerWaalsContact C-N 3.31Å; I582-K584 PolarHBondContact O-N 2.9Å; I582-R585 PolarHBondContact O-N 3.09Å; I582-R585 VanDerWaalsContact O-N 3.13Å; I582-E586 HydrophobicContact CG2-CG 4.4Å; I582-E586 WeakPolarHBondContact O-CG 3.46Å; I582-E586 PolarHBondContact O-N 3.03Å |
| 583 | A | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L453 V502 V579 E586 R587 C588 C590 | L453-A583 HydrophobicContact CD1-CB 4.26Å; V502-A583 HydrophobicContact CG1-CB 4.48Å; V502-A583 HydrophobicContact CG2-CB 4.28Å; V579-A583 VanDerWaalsContact O-CB 3.27Å; V579-A583 WeakPolarHBondContact O-CB 3.49Å; V579-A583 PolarHBondContact O-N 2.78Å; A583-E586 CarbonylContact O-C 3.6Å; A583-E586 PolarHBondContact O-N 2.87Å; A583-R587 PolarHBondContact O-N 2.94Å; A583-C588 PolarHBondContact O-N 2.98Å; A583-C590 HydrophobicContact CB-CB 3.54Å |
| 584 | K | 95.5 | Very high | 96.3 | Very high | 120 Ų | 120 | 40.2 Ų | 40.2 | 52% | 0.522 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 173.1 | -166.3 | -167.2 | -174.5 | -129 | 0 | 111.9 | L580 Q581 I582 E586 R587 D1084 | L580-K584 WeakPolarHBondContact O-CB 3.26Å; L580-K584 PolarHBondContact O-N 3.42Å; Q581-K584 PolarHBondContact O-N 3.12Å; I582-K584 VanDerWaalsContact C-N 3.31Å; I582-K584 PolarHBondContact O-N 2.9Å; K584-E586 VanDerWaalsContact C-N 3.29Å; K584-E586 PolarHBondContact O-N 2.92Å; K584-R587 PolarHBondContact O-N 2.84Å; K584-D1084 WeakPolarHBondContact CE-OD2 3.4Å; K584-D1084 IonicContact NZ-OD1 2.67Å; K584-D1084 PolarHBondContact NZ-OD1 3.14Å; K584-D1084 IonicContact NZ-OD2 3.67Å; K584-D1084 PolarHBondContact NZ-OD2 2.62Å |
| 585 | R | 95.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -35.8 | 179.8 | -177.5 | 172.7 | -177.8 | -105 | -2.9 | 112.8 | G289 Q581 I582 D1076 T1078 Q1080 D1081 | G289-R585 PolarHBondContact O-NH1 3.09Å; Q581-R585 WeakPolarHBondContact O-CB 3.49Å; Q581-R585 PolarHBondContact O-N 2.89Å; I582-R585 PolarHBondContact O-N 3.09Å; I582-R585 VanDerWaalsContact O-N 3.13Å; R585-D1076 IonicContact CZ-OD2 2.76Å; R585-D1076 VanDerWaalsContact CZ-OD2 3.31Å; R585-D1076 IonicContact NH1-OD2 3.99Å; R585-D1076 PolarHBondContact NH1-OD2 3.47Å; R585-D1076 IonicContact NH2-OD2 2.88Å; R585-D1076 PolarHBondContact NH2-OD2 3.02Å; R585-T1078 HydrophobicContact CG-CG2 4.09Å; R585-Q1080 WeakPolarHBondContact O-CB 3.23Å; R585-D1081 IonicContact CZ-OD1 3.91Å; R585-D1081 IonicContact CZ-OD2 3.69Å; R585-D1081 VanDerWaalsContact CZ-OD2 3.31Å; R585-D1081 IonicContact NE-OD1 3.6Å; R585-D1081 PolarHBondContact NE-OD1 3.27Å; R585-D1081 IonicContact NE-OD2 2.7Å; R585-D1081 PolarHBondContact NE-OD2 2.59Å; R585-D1081 VanDerWaalsContact NE-OD2 3.08Å; R585-D1081 IonicContact NH2-OD1 3.27Å; R585-D1081 IonicContact NH2-OD2 3.14Å; R585-D1081 PolarHBondContact NH2-OD2 3.25Å |
| 586 | E | 95.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.3 | 179.5 | -55.4 | -59.6 | 154.7 | 0 | 0 | 113.2 | K498 R501 V502 I582 A583 K584 C588 R1053 | K498-E586 VanDerWaalsContact CD-O 3.22Å; K498-E586 WeakPolarHBondContact CD-O 3.3Å; K498-E586 VanDerWaalsContact CG-O 3.29Å; K498-E586 WeakPolarHBondContact CG-O 3.34Å; R501-E586 HydrophobicContact CB-CB 4.41Å; R501-E586 HydrophobicContact CB-CG 4.19Å; V502-E586 HydrophobicContact CG2-CB 3.79Å; V502-E586 HydrophobicContact CG2-CG 4.24Å; I582-E586 HydrophobicContact CG2-CG 4.4Å; I582-E586 WeakPolarHBondContact O-CG 3.46Å; I582-E586 PolarHBondContact O-N 3.03Å; A583-E586 CarbonylContact O-C 3.6Å; A583-E586 PolarHBondContact O-N 2.87Å; K584-E586 VanDerWaalsContact C-N 3.29Å; K584-E586 PolarHBondContact O-N 2.92Å; E586-C588 PolarHBondContact O-N 3.42Å; E586-C588 VanDerWaalsContact O-N 3.1Å; E586-R1053 IonicContact OE1-CZ 2.88Å; E586-R1053 IonicContact OE1-NH1 3.29Å; E586-R1053 PolarHBondContact OE1-NH1 3.49Å; E586-R1053 IonicContact OE1-NH2 2.72Å; E586-R1053 PolarHBondContact OE1-NH2 3.4Å; E586-R1053 IonicContact OE2-CZ 3.77Å; E586-R1053 IonicContact OE2-NH1 3.41Å; E586-R1053 PolarHBondContact OE2-NH1 3.28Å; E586-R1053 IonicContact OE2-NH2 2.7Å |
| 587 | R | 94.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 23.1 | 177.5 | -60.8 | 177.9 | 175 | 168 | 18.7 | 116.1 | F110 K498 A583 K584 E1054 E1055 Y1103 | F110-R587 HydrophobicContact CE1-CG 3.94Å; F110-R587 HydrophobicContact CE2-CB 4.23Å; F110-R587 HydrophobicContact CE2-CG 4.05Å; F110-R587 HydrophobicContact CZ-CB 3.98Å; F110-R587 HydrophobicContact CZ-CG 3.61Å; K498-R587 HydrophobicContact CD-CB 4.01Å; A583-R587 PolarHBondContact O-N 2.94Å; K584-R587 PolarHBondContact O-N 2.84Å; R587-E1054 IonicContact CZ-OE1 2.72Å; R587-E1054 IonicContact CZ-OE2 3.8Å; R587-E1054 VanDerWaalsContact CZ-OE2 3.26Å; R587-E1054 IonicContact NE-OE1 2.64Å; R587-E1054 IonicContact NH1-OE1 3.75Å; R587-E1054 PolarHBondContact NH1-OE1 3.25Å; R587-E1054 IonicContact NH1-OE2 2.63Å; R587-E1054 PolarHBondContact NH1-OE2 3.32Å; R587-E1054 IonicContact NH2-OE1 2.75Å; R587-E1054 PolarHBondContact NH2-OE1 3.34Å; R587-E1054 VanDerWaalsContact NH2-OE1 3.1Å; R587-E1054 IonicContact NH2-OE2 3.12Å; R587-E1054 PolarHBondContact NH2-OE2 2.91Å; R587-E1055 VanDerWaalsContact CD-CD 3.47Å; R587-E1055 WeakPolarHBondContact CD-OE1 3.38Å; R587-E1055 IonicContact CZ-OE1 3.85Å; R587-E1055 IonicContact NE-OE1 2.77Å; R587-E1055 IonicContact NH1-OE1 2.77Å; R587-E1055 PolarHBondContact NH1-OE1 3.39Å; R587-Y1103 PolarHBondContact NH1-OH 3.41Å |
| 588 | C | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | trans | -85.8 | 146 | 178.8 | -164 | 0 | 0 | 0 | 0 | 111.1 | G454 K498 V502 A583 E586 | G454-C588 VanDerWaalsContact CA-SG 3.55Å; G454-C588 PolarHBondContact N-SG 2.97Å; K498-C588 HydrophobicContact CB-CB 4.19Å; V502-C588 HydrophobicContact CG2-CB 3.62Å; A583-C588 PolarHBondContact O-N 2.98Å; E586-C588 PolarHBondContact O-N 3.42Å; E586-C588 VanDerWaalsContact O-N 3.1Å | ||
| 589 | Y | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 38.5 Ų | 38.5 | 32% | 0.318 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.2 | 170.7 | -58.2 | -100 | 0 | 0 | 0 | 109.8 | L453 G454 M495 T547 | L453-Y589 WeakPolarHBondContact CA-O 3.49Å; L453-Y589 WeakPolarHBondContact CD1-O 3.35Å; G454-Y589 PolarHBondContact N-O 2.84Å; G454-Y589 WeakPolarHBondContact O-CB 3.5Å; G454-Y589 WeakPolarHBondContact O-CD2 3.2Å; M495-Y589 HydrophobicContact CE-CD2 3.98Å; M495-Y589 HydrophobicContact CE-CE2 3.78Å; M495-Y589 HydrophobicContact SD-CD2 4.3Å; T547-Y589 HydrophobicContact CG2-CD1 3.75Å; T547-Y589 HydrophobicContact CG2-CE1 3.72Å |
| 590 | C | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 14% | 0.135 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 85.7 | -175 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | K452 L453 L580 A583 | K452-C590 CarbonylContact O-C 3.6Å; K452-C590 WeakPolarHBondContact O-CA 3.48Å; L453-C590 HydrophobicContact CD1-CB 3.79Å; L580-C590 HydrophobicContact CD2-CB 4.39Å; A583-C590 HydrophobicContact CB-CB 3.54Å |
| 591 | D | 97.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.8 | -170.2 | -67.9 | -23.2 | 0 | 0 | 0 | 111.4 | I451 K452 R545 T547 V593 | I451-D591 CarbonylContact C-O 3.43Å; I451-D591 VanDerWaalsContact CA-O 3.31Å; I451-D591 WeakPolarHBondContact CA-O 3.2Å; K452-D591 HydrophobicContact CB-CB 4.35Å; K452-D591 PolarHBondContact N-O 3.37Å; K452-D591 PolarHBondContact O-N 3.4Å; R545-D591 WeakPolarHBondContact O-CB 3.36Å; T547-D591 VanDerWaalsContact CB-OD2 3.28Å; T547-D591 WeakPolarHBondContact CB-OD2 3.23Å; T547-D591 PolarHBondContact N-OD2 3.47Å; T547-D591 PolarHBondContact OG1-OD1 3.28Å; T547-D591 PolarHBondContact OG1-OD2 2.97Å; T547-D591 VanDerWaalsContact OG1-OD2 3.09Å; D591-V593 VanDerWaalsContact C-N 3.29Å; D591-V593 HydrophobicContact CB-CG1 3.93Å; D591-V593 PolarHBondContact O-N 2.95Å |
| 592 | I | 98 | Very high | 96.6 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 78.4 | 173.4 | -54.2 | 179.1 | 0 | 0 | 0 | 109.1 | F449 I451 R545 V576 L580 G594 | F449-I592 HydrophobicContact CB-CG2 4.24Å; F449-I592 HydrophobicContact CD1-CG2 3.36Å; F449-I592 HydrophobicContact CE1-CG2 3.92Å; F449-I592 HydrophobicContact CG-CG2 4.04Å; I451-I592 HydrophobicContact CG1-CG1 4.25Å; R545-I592 WeakPolarHBondContact CD-O 3.22Å; V576-I592 HydrophobicContact CG2-CD1 3.7Å; V576-I592 HydrophobicContact CG2-CG1 4.48Å; L580-I592 HydrophobicContact CD1-CD1 4.28Å; L580-I592 HydrophobicContact CD2-CD1 4.47Å; I592-G594 VanDerWaalsContact C-N 3.3Å; I592-G594 PolarHBondContact O-N 3.33Å |
| 593 | V | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -23.4 | -173 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | V450 K452 L541 Y542 F546 D591 | V450-V593 HydrophobicContact CB-CG2 4.27Å; V450-V593 HydrophobicContact CG1-CG2 3.93Å; V450-V593 WeakPolarHBondContact O-CG2 3.33Å; V450-V593 PolarHBondContact O-N 2.95Å; K452-V593 HydrophobicContact CB-CG1 4.05Å; K452-V593 HydrophobicContact CG-CG1 3.91Å; K452-V593 HydrophobicContact CG-CG2 4.03Å; L541-V593 WeakPolarHBondContact CA-O 3.41Å; L541-V593 HydrophobicContact CD2-CG2 4.16Å; Y542-V593 PolarHBondContact N-O 2.86Å; Y542-V593 VanDerWaalsContact N-O 3.09Å; F546-V593 HydrophobicContact CD1-CG1 3.79Å; F546-V593 HydrophobicContact CD2-CB 4.13Å; F546-V593 HydrophobicContact CD2-CG1 3.63Å; F546-V593 HydrophobicContact CE1-CB 4.35Å; F546-V593 HydrophobicContact CE1-CG1 3.77Å; F546-V593 HydrophobicContact CE2-CB 3.66Å; F546-V593 HydrophobicContact CE2-CG1 3.61Å; F546-V593 HydrophobicContact CG-CG1 3.72Å; F546-V593 HydrophobicContact CZ-CB 3.79Å; F546-V593 HydrophobicContact CZ-CG1 3.68Å; F546-V593 HydrophobicContact CZ-CG2 4.22Å; D591-V593 VanDerWaalsContact C-N 3.29Å; D591-V593 HydrophobicContact CB-CG1 3.93Å; D591-V593 PolarHBondContact O-N 2.95Å |
| 594 | G | 97.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | -156.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V450 E540 I592 | V450-G594 PolarHBondContact N-O 2.92Å; V450-G594 PolarHBondContact O-N 2.89Å; E540-G594 WeakPolarHBondContact O-CA 3.24Å; I592-G594 VanDerWaalsContact C-N 3.3Å; I592-G594 PolarHBondContact O-N 3.33Å |
| 595 | K | 98 | Very high | 96.4 | Very high | 74 Ų | 74 | 33.1 Ų | 33.1 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 149.9 | -177.9 | -84.6 | -172.5 | 159.4 | -163.2 | 0 | 112.9 | D447 M448 F449 A539 E540 | D447-K595 IonicContact OD1-NZ 2.92Å; D447-K595 PolarHBondContact OD1-NZ 2.99Å; M448-K595 WeakPolarHBondContact O-CA 3.39Å; F449-K595 HydrophobicContact CD1-CG 3.97Å; F449-K595 HydrophobicContact CE1-CG 4.23Å; A539-K595 CarbonylContact C-O 3.52Å; A539-K595 WeakPolarHBondContact CA-O 3.46Å; A539-K595 VanDerWaalsContact CB-O 3.31Å; A539-K595 WeakPolarHBondContact CB-O 3.28Å; E540-K595 PolarHBondContact N-O 3Å; E540-K595 PolarHBondContact O-N 2.82Å |
| 596 | V | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 133.3 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | P444 V445 D447 M448 V450 V534 L537 G538 L570 | P444-V596 HydrophobicContact CB-CG1 4.15Å; V445-V596 WeakPolarHBondContact O-CB 3.22Å; V445-V596 VanDerWaalsContact O-CG1 3.28Å; V445-V596 WeakPolarHBondContact O-CG1 3.35Å; D447-V596 PolarHBondContact N-O 3.42Å; M448-V596 HydrophobicContact CB-CB 4.28Å; M448-V596 HydrophobicContact CB-CG2 3.95Å; M448-V596 PolarHBondContact O-N 2.98Å; V450-V596 HydrophobicContact CG2-CG2 3.99Å; V534-V596 HydrophobicContact CG1-CG2 4.09Å; L537-V596 HydrophobicContact CB-CG1 4.16Å; L537-V596 HydrophobicContact CD1-CG1 3.78Å; G538-V596 CarbonylContact O-C 3.55Å; G538-V596 VanDerWaalsContact O-CA 3.31Å; G538-V596 WeakPolarHBondContact O-CA 3.15Å; G538-V596 WeakPolarHBondContact O-CG1 3.43Å; L570-V596 HydrophobicContact CD1-CG2 4.3Å; L570-V596 HydrophobicContact CD2-CG2 3.65Å |
| 597 | T | 97.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | trans | -129.8 | 142.2 | -179.6 | 70.4 | 0 | 0 | 0 | 0 | 111.7 | N446 L537 G538 E540 N599 | N446-T597 WeakPolarHBondContact OD1-CA 3.36Å; L537-T597 CarbonylContact C-O 3.46Å; G538-T597 CarbonylContact C-O 3.53Å; G538-T597 PolarHBondContact N-O 3.25Å; G538-T597 PolarHBondContact O-N 3.25Å; E540-T597 HydrophobicContact CB-CG2 4.08Å; T597-N599 PolarHBondContact O-N 2.95Å; T597-N599 VanDerWaalsContact O-N 3.17Å; T597-N599 VanDerWaalsContact OG1-CG 3.32Å; T597-N599 PolarHBondContact OG1-ND2 3.41Å; T597-N599 VanDerWaalsContact OG1-ND2 3.11Å; T597-N599 PolarHBondContact OG1-OD1 3.47Å | ||
| 598 | N | 95.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 37.7 Ų | 37.7 | 64% | 0.642 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | 11.7 | -176 | 65.2 | 7.4 | 0 | 0 | 0 | 115.5 | N446 | N446-N598 VanDerWaalsContact OD1-CB 3.31Å; N446-N598 WeakPolarHBondContact OD1-CB 3.31Å; N446-N598 PolarHBondContact OD1-N 2.72Å |
| 599 | N | 95.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -1.5 | -167.3 | 67.5 | 22.3 | 0 | 0 | 0 | 115.2 | T597 K601 | T597-N599 PolarHBondContact O-N 2.95Å; T597-N599 VanDerWaalsContact O-N 3.17Å; T597-N599 VanDerWaalsContact OG1-CG 3.32Å; T597-N599 PolarHBondContact OG1-ND2 3.41Å; T597-N599 VanDerWaalsContact OG1-ND2 3.11Å; T597-N599 PolarHBondContact OG1-OD1 3.47Å; N599-K601 VanDerWaalsContact OD1-CB 3.32Å; N599-K601 WeakPolarHBondContact OD1-CB 3.11Å; N599-K601 PolarHBondContact OD1-N 3.26Å |
| 600 | G | 95.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 47 Ų | 47 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 83.9 | 8.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | L537 R620 L621 | L537-G600 CarbonylContact O-C 3.4Å; L537-G600 VanDerWaalsContact O-C 3.23Å; L537-G600 WeakPolarHBondContact O-CA 3.46Å; L537-G600 PolarHBondContact O-N 2.9Å; G600-R620 CarbonylContact O-C 3.56Å; G600-R620 WeakPolarHBondContact O-CA 3.41Å; G600-L621 PolarHBondContact O-N 3.27Å |
| 601 | K | 95.3 | Very high | 87.6 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.5 | -170.3 | -63.6 | -179.4 | 163.6 | -153.5 | 0 | 114.5 | L537 G538 A539 N599 N618 L619 R620 | L537-K601 PolarHBondContact O-N 3.17Å; G538-K601 CarbonylContact C-O 3.57Å; G538-K601 WeakPolarHBondContact CA-O 3.49Å; A539-K601 PolarHBondContact N-O 3.26Å; N599-K601 VanDerWaalsContact OD1-CB 3.32Å; N599-K601 WeakPolarHBondContact OD1-CB 3.11Å; N599-K601 PolarHBondContact OD1-N 3.26Å; K601-N618 PolarHBondContact NZ-OD1 3.39Å; K601-L619 CarbonylContact C-O 3.59Å; K601-L619 VanDerWaalsContact CA-O 3.26Å; K601-L619 WeakPolarHBondContact CA-O 3.27Å; K601-R620 HydrophobicContact CD-CG 4.5Å; K601-R620 HydrophobicContact CG-CG 3.73Å |
| 602 | I | 96.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.6 | 158.1 | -170.8 | 64.1 | 0 | 0 | 0 | 108.8 | I530 K531 A539 L541 W559 V617 N618 L619 L621 | I530-I602 HydrophobicContact CG2-CD1 4.17Å; K531-I602 HydrophobicContact CD-CG2 4.06Å; K531-I602 HydrophobicContact CG-CB 4.46Å; K531-I602 HydrophobicContact CG-CG1 4.26Å; K531-I602 HydrophobicContact CG-CG2 4.16Å; A539-I602 HydrophobicContact CB-CD1 3.87Å; L541-I602 HydrophobicContact CD1-CD1 3.9Å; L541-I602 HydrophobicContact CG-CD1 4.35Å; W559-I602 HydrophobicContact CH2-CD1 4.16Å; W559-I602 HydrophobicContact CH2-CG1 3.77Å; W559-I602 HydrophobicContact CZ2-CG1 3.89Å; I602-V617 HydrophobicContact CG2-CG1 4.29Å; I602-N618 WeakPolarHBondContact O-CA 3.14Å; I602-L619 HydrophobicContact CG2-CB 3.91Å; I602-L619 PolarHBondContact N-O 3.2Å; I602-L619 PolarHBondContact O-N 2.91Å; I602-L621 HydrophobicContact CB-CD2 4.23Å; I602-L621 HydrophobicContact CG2-CD2 4.1Å |
| 603 | T | 96.2 | Very high | 83.9 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.1 | 178.6 | -56 | 0 | 0 | 0 | 0 | 109.6 | A539 L541 P615 V617 | A539-T603 PolarHBondContact O-N 3.24Å; L541-T603 PolarHBondContact N-O 2.81Å; T603-P615 HydrophobicContact CG2-CB 3.98Å; T603-P615 HydrophobicContact CG2-CG 3.96Å; T603-V617 VanDerWaalsContact CA-O 3.3Å; T603-V617 WeakPolarHBondContact CA-O 3.28Å |
| 604 | L | 95.8 | Very high | 83 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121 | 168.6 | 178.6 | 68.3 | 0 | 0 | 0 | 108.6 | L541 A543 F546 V555 L558 W559 P615 P616 V617 | L541-L604 HydrophobicContact CB-CD1 3.87Å; A543-L604 HydrophobicContact CB-CD1 4.39Å; F546-L604 HydrophobicContact CE2-CD1 4.32Å; V555-L604 HydrophobicContact CG2-CD2 3.57Å; V555-L604 HydrophobicContact CG2-CG 4.31Å; L558-L604 HydrophobicContact CD2-CD1 4.37Å; L558-L604 HydrophobicContact CD2-CD2 4.13Å; W559-L604 HydrophobicContact CB-CD2 4.28Å; W559-L604 HydrophobicContact CD2-CD2 4.04Å; W559-L604 HydrophobicContact CE3-CD2 3.71Å; W559-L604 HydrophobicContact CE3-CG 4.48Å; W559-L604 HydrophobicContact CG-CD2 4.32Å; W559-L604 HydrophobicContact CZ3-CB 4.49Å; W559-L604 HydrophobicContact CZ3-CD2 4.39Å; L604-P615 VanDerWaalsContact O-CB 3.26Å; L604-P615 WeakPolarHBondContact O-CB 3.35Å; L604-P616 WeakPolarHBondContact O-CD 3.44Å; L604-P616 WeakPolarHBondContact O-CG 3.46Å; L604-V617 HydrophobicContact CB-CB 3.93Å; L604-V617 HydrophobicContact CB-CG2 4.14Å; L604-V617 HydrophobicContact CD2-CG2 4.39Å; L604-V617 PolarHBondContact N-O 3.26Å |
| 605 | H | 93.5 | Very high | 82.7 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141 | 168.8 | -62.2 | -78.1 | 0 | 0 | 0 | 110.7 | E540 L541 Y542 A543 | E540-H605 WeakPolarHBondContact CG-NE2 3.44Å; E540-H605 IonicContact OE1-CD2 2.68Å; E540-H605 IonicContact OE1-CE1 3.19Å; E540-H605 IonicContact OE1-NE2 3.24Å; E540-H605 PolarHBondContact OE1-NE2 3.35Å; L541-H605 PolarHBondContact O-CD2 3.49Å; L541-H605 PolarHBondContact O-N 3.34Å; Y542-H605 HydrophobicContact CD1-CB 3.87Å; Y542-H605 AromaticContact CD1-CD2 3.57Å; Y542-H605 AromaticContact CD1-CG 4Å; Y542-H605 HydrophobicContact CE1-CB 4.36Å; Y542-H605 AromaticContact CE1-CD2 3.25Å; Y542-H605 WeakPolarHBondContact CE1-CD2 3.14Å; Y542-H605 AromaticContact CE1-CG 3.98Å; Y542-H605 AromaticContact CE1-NE2 3.82Å; Y542-H605 AromaticContact CZ-CD2 3.83Å; A543-H605 VanDerWaalsContact CB-O 3.32Å; A543-H605 WeakPolarHBondContact CB-O 3.45Å; A543-H605 PolarHBondContact N-O 2.89Å |
| 606 | D | 90.3 | Very high | 82.5 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | trans | -72.5 | 167.7 | 176.3 | -160.4 | 10.1 | 0 | 0 | 0 | 112 | Y170 A608 P616 | Y170-D606 HydrophobicContact CE1-CB 4.08Å; Y170-D606 VanDerWaalsContact CE1-OD2 3.31Å; Y170-D606 WeakPolarHBondContact CE1-OD2 3.46Å; D606-A608 PolarHBondContact O-N 2.93Å; D606-P616 HydrophobicContact CB-CG 3.99Å | ||
| 607 | F | 85.9 | Confident | 82.3 | Confident | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -59 | 115.7 | 180 | -57.2 | -84.5 | 0 | 0 | 0 | 112 | A543 E544 L548 V555 L558 S609 | A543-F607 VanDerWaalsContact C-CE1 3.49Å; A543-F607 HydrophobicContact CB-CD1 3.89Å; A543-F607 HydrophobicContact CB-CD2 4.07Å; A543-F607 HydrophobicContact CB-CE1 3.8Å; A543-F607 HydrophobicContact CB-CE2 4.01Å; A543-F607 HydrophobicContact CB-CG 4.02Å; A543-F607 HydrophobicContact CB-CZ 3.88Å; A543-F607 VanDerWaalsContact O-CE1 3.26Å; A543-F607 WeakPolarHBondContact O-CE1 3.32Å; E544-F607 HydrophobicContact CB-CD1 4.35Å; L548-F607 HydrophobicContact CD1-CE1 3.86Å; L548-F607 HydrophobicContact CD1-CZ 4.02Å; L548-F607 HydrophobicContact CD2-CE1 4.31Å; L548-F607 HydrophobicContact CD2-CZ 4.28Å; L548-F607 HydrophobicContact CG-CE1 4.49Å; V555-F607 HydrophobicContact CB-CE2 4.4Å; L558-F607 HydrophobicContact CD1-CE1 4.18Å; L558-F607 HydrophobicContact CD1-CZ 3.71Å; F607-S609 VanDerWaalsContact C-N 3.27Å; F607-S609 PolarHBondContact O-N 3.2Å |
| 608 | A | 69.1 | Low | 82.2 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | 53 | 25.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | E544 D606 E610 | E544-A608 WeakPolarHBondContact OE2-CA 3.28Å; E544-A608 PolarHBondContact OE2-N 3.19Å; E544-A608 VanDerWaalsContact OE2-N 3.12Å; D606-A608 PolarHBondContact O-N 2.93Å; A608-E610 PolarHBondContact O-N 2.89Å |
| 609 | S | 52.8 | Low | 82.1 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | 59.6 | 37.2 | 160 | 67.4 | 0 | 0 | 0 | 0 | 118.4 | F607 G611 | F607-S609 VanDerWaalsContact C-N 3.27Å; F607-S609 PolarHBondContact O-N 3.2Å; S609-G611 PolarHBondContact O-N 3.09Å |
| 610 | E | 44.2 | Very low | 82 | Confident | 184 Ų | 184 | 53.4 Ų | 53.4 | 86% | 0.86 | 32% | 0.319 | S | S | * | . | trans | -69.2 | 87.4 | 173.1 | -72.4 | -157.9 | 161.1 | 0 | 0 | 112.9 | A608 T612 | A608-E610 PolarHBondContact O-N 2.89Å; E610-T612 VanDerWaalsContact C-N 3.32Å; E610-T612 PolarHBondContact O-N 2.72Å; E610-T612 VanDerWaalsContact O-N 3.08Å | ||
| 611 | G | 50.1 | Low | 81.9 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 84% | 0.835 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 77.8 | -8.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S609 | S609-G611 PolarHBondContact O-N 3.09Š|
| 612 | T | 53.4 | Low | 81.7 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | trans | -96.8 | 129.7 | -178.8 | 42.8 | 0 | 0 | 0 | 0 | 112.5 | Y170 E610 | Y170-T612 WeakPolarHBondContact OH-CB 3.39Å; Y170-T612 PolarHBondContact OH-OG1 2.99Å; E610-T612 VanDerWaalsContact C-N 3.32Å; E610-T612 PolarHBondContact O-N 2.72Å; E610-T612 VanDerWaalsContact O-N 3.08Å | ||
| 613 | T | 64.7 | Low | 81.5 | Confident | 141 Ų | 141 | 52.8 Ų | 52.8 | 87% | 0.865 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -93.9 | 1.7 | -178 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 614 | I | 77.8 | Confident | 81 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 40% | 0.4 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -122.6 | 114.9 | -178.9 | -58 | 177.1 | 0 | 0 | 0 | 107.4 | Y170 | Y170-I614 PolarHBondContact OH-O 3.48Š|
| 615 | P | 90.8 | Very high | 80.4 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | trans | -60.7 | 147.8 | 179.3 | -22.1 | 32.3 | 0 | 0 | 0 | 112.4 | T603 L604 V617 | T603-P615 HydrophobicContact CG2-CB 3.98Å; T603-P615 HydrophobicContact CG2-CG 3.96Å; L604-P615 VanDerWaalsContact O-CB 3.26Å; L604-P615 WeakPolarHBondContact O-CB 3.35Å; P615-V617 PolarHBondContact O-N 3.38Å; P615-V617 VanDerWaalsContact O-N 3.14Å | ||
| 616 | P | 93.3 | Very high | 80.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -57.9 | -26.6 | 179.9 | 18.7 | -31.5 | 0 | 0 | 0 | 114.3 | Y170 T215 V217 V555 L604 D606 | Y170-P616 HydrophobicContact CD1-CB 3.99Å; Y170-P616 HydrophobicContact CD2-CB 3.84Å; Y170-P616 HydrophobicContact CE1-CB 4.19Å; Y170-P616 HydrophobicContact CE1-CG 4.37Å; Y170-P616 HydrophobicContact CE2-CB 4.01Å; Y170-P616 HydrophobicContact CG-CB 3.83Å; T215-P616 WeakPolarHBondContact CG2-O 3.03Å; T215-P616 PolarHBondContact OG1-O 2.94Å; V217-P616 HydrophobicContact CG2-CB 4.32Å; V555-P616 HydrophobicContact CG1-CB 3.88Å; V555-P616 HydrophobicContact CG1-CG 4.17Å; V555-P616 HydrophobicContact CG2-CB 4.23Å; V555-P616 HydrophobicContact CG2-CG 3.8Å; L604-P616 WeakPolarHBondContact O-CD 3.44Å; L604-P616 WeakPolarHBondContact O-CG 3.46Å; D606-P616 HydrophobicContact CB-CG 3.99Å |
| 617 | V | 95.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.2 | 169.8 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | V217 E218 W559 I602 T603 L604 P615 L619 | V217-V617 HydrophobicContact CB-CG2 4.45Å; V217-V617 HydrophobicContact CG1-CG2 3.69Å; E218-V617 HydrophobicContact CG-CB 4.42Å; E218-V617 HydrophobicContact CG-CG1 4.27Å; E218-V617 HydrophobicContact CG-CG2 4.41Å; W559-V617 HydrophobicContact CD2-CG2 4.25Å; W559-V617 HydrophobicContact CG-CG2 4.16Å; W559-V617 HydrophobicContact CZ2-CG1 4.23Å; I602-V617 HydrophobicContact CG2-CG1 4.29Å; T603-V617 VanDerWaalsContact CA-O 3.3Å; T603-V617 WeakPolarHBondContact CA-O 3.28Å; L604-V617 HydrophobicContact CB-CB 3.93Å; L604-V617 HydrophobicContact CB-CG2 4.14Å; L604-V617 HydrophobicContact CD2-CG2 4.39Å; L604-V617 PolarHBondContact N-O 3.26Å; P615-V617 PolarHBondContact O-N 3.38Å; P615-V617 VanDerWaalsContact O-N 3.14Å; V617-L619 HydrophobicContact CG1-CD1 4.22Å; V617-L619 HydrophobicContact CG1-CG 4.09Å |
| 618 | N | 94.4 | Very high | 79.4 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 60.4 | 179.5 | -173.2 | -13.1 | 0 | 0 | 0 | 109.5 | R212 E218 K601 I602 | R212-N618 PolarHBondContact NH2-O 2.95Å; E218-N618 PolarHBondContact OE1-N 3.34Å; K601-N618 PolarHBondContact NZ-OD1 3.39Å; I602-N618 WeakPolarHBondContact O-CA 3.14Å |
| 619 | L | 93.8 | Very high | 79.9 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.2 | -173.2 | -61.8 | 176.8 | 0 | 0 | 0 | 111.3 | F206 E218 L222 K601 I602 V617 I624 | F206-L619 HydrophobicContact CE1-CD2 4.05Å; F206-L619 HydrophobicContact CZ-CD2 3.76Å; E218-L619 HydrophobicContact CB-CD1 4.43Å; E218-L619 HydrophobicContact CB-CD2 4.23Å; E218-L619 HydrophobicContact CG-CD1 4.2Å; E218-L619 HydrophobicContact CG-CD2 3.96Å; E218-L619 HydrophobicContact CG-CG 4Å; E218-L619 WeakPolarHBondContact OE1-CD2 3.19Å; L222-L619 HydrophobicContact CD1-CD1 4.49Å; L222-L619 HydrophobicContact CD2-CD1 4.46Å; L222-L619 HydrophobicContact CG-CD1 4.34Å; K601-L619 CarbonylContact C-O 3.59Å; K601-L619 VanDerWaalsContact CA-O 3.26Å; K601-L619 WeakPolarHBondContact CA-O 3.27Å; I602-L619 HydrophobicContact CG2-CB 3.91Å; I602-L619 PolarHBondContact N-O 3.2Å; I602-L619 PolarHBondContact O-N 2.91Å; V617-L619 HydrophobicContact CG1-CD1 4.22Å; V617-L619 HydrophobicContact CG1-CG 4.09Å; L619-I624 HydrophobicContact CB-CD1 4.09Å; L619-I624 HydrophobicContact CD1-CD1 4.04Å |
| 620 | R | 94.6 | Very high | 81.2 | Confident | 88 Ų | 88 | 54.9 Ų | 54.9 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.6 | 168.1 | -75.9 | 177.8 | -67 | -168.5 | 3.5 | 110.2 | I209 E210 G600 K601 A622 S623 I624 | I209-R620 VanDerWaalsContact C-NH2 3.25Å; I209-R620 PolarHBondContact O-NH2 2.87Å; E210-R620 IonicContact OE1-CZ 2.77Å; E210-R620 VanDerWaalsContact OE1-CZ 3.26Å; E210-R620 IonicContact OE1-NE 3.52Å; E210-R620 PolarHBondContact OE1-NE 2.91Å; E210-R620 IonicContact OE1-NH2 2.85Å; E210-R620 PolarHBondContact OE1-NH2 3.23Å; E210-R620 IonicContact OE2-CZ 3.54Å; E210-R620 IonicContact OE2-NE 3.48Å; E210-R620 PolarHBondContact OE2-NE 3.32Å; E210-R620 IonicContact OE2-NH2 2.65Å; E210-R620 PolarHBondContact OE2-NH2 3Å; G600-R620 CarbonylContact O-C 3.56Å; G600-R620 WeakPolarHBondContact O-CA 3.41Å; K601-R620 HydrophobicContact CD-CG 4.5Å; K601-R620 HydrophobicContact CG-CG 3.73Å; R620-A622 PolarHBondContact O-N 2.91Å; R620-S623 WeakPolarHBondContact O-CB 3.5Å; R620-S623 PolarHBondContact O-N 2.89Å; R620-I624 PolarHBondContact O-N 2.98Å |
| 621 | L | 92.4 | Very high | 82.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -27.2 | 177.2 | -59.5 | -175.7 | 0 | 0 | 0 | 112 | K531 V534 E535 G600 I602 S623 I624 R625 | K531-L621 HydrophobicContact CB-CD2 4.17Å; K531-L621 HydrophobicContact CG-CD2 4.38Å; V534-L621 HydrophobicContact CG2-CD1 4.18Å; E535-L621 HydrophobicContact CB-CD1 4.24Å; E535-L621 HydrophobicContact CG-CD1 4.35Å; G600-L621 PolarHBondContact O-N 3.27Å; I602-L621 HydrophobicContact CB-CD2 4.23Å; I602-L621 HydrophobicContact CG2-CD2 4.1Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 3.2Å; L621-I624 HydrophobicContact CD2-CD1 4.22Å; L621-I624 PolarHBondContact O-N 3.36Å; L621-R625 WeakPolarHBondContact O-CB 3.47Å; L621-R625 PolarHBondContact O-N 3.05Å; L621-R625 PolarHBondContact O-NE 3.07Å |
| 622 | A | 91.4 | Very high | 84.6 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 52% | 0.521 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R620 H626 | R620-A622 PolarHBondContact O-N 2.91Å; A622-H626 PolarHBondContact O-N 3.42Å; A622-H626 VanDerWaalsContact O-N 3.16Å |
| 623 | S | 90.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.4 | -31.6 | 179.8 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | I209 E210 R620 L621 H626 L627 | I209-S623 WeakPolarHBondContact CG2-OG 3.44Å; E210-S623 WeakPolarHBondContact OE1-CB 3.31Å; E210-S623 PolarHBondContact OE1-OG 2.71Å; R620-S623 WeakPolarHBondContact O-CB 3.5Å; R620-S623 PolarHBondContact O-N 2.89Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 3.2Å; S623-H626 WeakPolarHBondContact O-CB 3.27Å; S623-H626 PolarHBondContact O-N 3Å; S623-L627 PolarHBondContact O-N 2.83Å |
| 624 | I | 86.1 | Confident | 87.7 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 170.1 | -54.4 | -177.6 | 0 | 0 | 0 | 109.9 | L222 K531 L619 R620 L621 H626 L627 S628 | L222-I624 HydrophobicContact CD2-CG1 4.26Å; K531-I624 HydrophobicContact CD-CD1 3.58Å; L619-I624 HydrophobicContact CB-CD1 4.09Å; L619-I624 HydrophobicContact CD1-CD1 4.04Å; R620-I624 PolarHBondContact O-N 2.98Å; L621-I624 HydrophobicContact CD2-CD1 4.22Å; L621-I624 PolarHBondContact O-N 3.36Å; I624-H626 PolarHBondContact O-N 3.46Å; I624-L627 WeakPolarHBondContact O-CB 3.23Å; I624-L627 PolarHBondContact O-N 3.01Å; I624-S628 PolarHBondContact O-N 2.94Å |
| 625 | R | 84.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.6 | -36.9 | 170.8 | -88.7 | -177.2 | -82.6 | -134.4 | -4.3 | 113.6 | E535 L621 S628 S629 | E535-R625 WeakPolarHBondContact OE1-CD 3.25Å; E535-R625 IonicContact OE1-CZ 2.68Å; E535-R625 IonicContact OE1-NE 2.75Å; E535-R625 PolarHBondContact OE1-NE 2.66Å; E535-R625 IonicContact OE1-NH1 3.71Å; E535-R625 PolarHBondContact OE1-NH1 3.36Å; L621-R625 WeakPolarHBondContact O-CB 3.47Å; L621-R625 PolarHBondContact O-N 3.05Å; L621-R625 PolarHBondContact O-NE 3.07Å; R625-S628 WeakPolarHBondContact CA-OG 3.44Å; R625-S628 PolarHBondContact O-N 3.36Å; R625-S628 PolarHBondContact O-OG 3.12Å; R625-S629 VanDerWaalsContact O-CB 3.25Å; R625-S629 WeakPolarHBondContact O-CB 3.28Å; R625-S629 PolarHBondContact O-N 2.89Å; R625-S629 PolarHBondContact O-OG 3.07Å |
| 626 | H | 85.5 | Confident | 88.5 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 177.8 | -177.4 | 63.4 | 0 | 0 | 0 | 112.3 | Y204 A622 S623 I624 S629 Q630 | Y204-H626 AromaticContact CD1-NE2 3.84Å; Y204-H626 AromaticContact CE1-NE2 3.66Å; A622-H626 PolarHBondContact O-N 3.42Å; A622-H626 VanDerWaalsContact O-N 3.16Å; S623-H626 WeakPolarHBondContact O-CB 3.27Å; S623-H626 PolarHBondContact O-N 3Å; I624-H626 PolarHBondContact O-N 3.46Å; H626-S629 PolarHBondContact O-OG 3.34Å; H626-Q630 PolarHBondContact O-NE2 2.99Å |
| 627 | L | 84 | Confident | 88.3 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -53.6 | 171.5 | -62 | 171.9 | 0 | 0 | 0 | 110.7 | N201 I202 V205 L222 S623 I624 S629 Q630 | N201-L627 VanDerWaalsContact C-CD2 3.49Å; N201-L627 HydrophobicContact CB-CD2 3.69Å; N201-L627 WeakPolarHBondContact O-CD2 3.39Å; I202-L627 HydrophobicContact CG1-CD1 4.44Å; I202-L627 HydrophobicContact CG1-CD2 4.38Å; V205-L627 HydrophobicContact CB-CD2 4.36Å; V205-L627 HydrophobicContact CG2-CD2 3.52Å; V205-L627 HydrophobicContact CG2-CG 3.87Å; L222-L627 HydrophobicContact CD1-CD1 4.39Å; L222-L627 HydrophobicContact CD2-CD1 3.79Å; S623-L627 PolarHBondContact O-N 2.83Å; I624-L627 WeakPolarHBondContact O-CB 3.23Å; I624-L627 PolarHBondContact O-N 3.01Å; L627-S629 PolarHBondContact O-N 3.49Å; L627-S629 VanDerWaalsContact O-N 3.13Å; L627-Q630 PolarHBondContact O-N 2.83Å; L627-Q630 VanDerWaalsContact O-N 3.11Å |
| 628 | S | 77.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68 | -13.9 | -175.7 | 69.9 | 0 | 0 | 0 | 0 | 114 | I624 R625 | I624-S628 PolarHBondContact O-N 2.94Å; R625-S628 WeakPolarHBondContact CA-OG 3.44Å; R625-S628 PolarHBondContact O-N 3.36Å; R625-S628 PolarHBondContact O-OG 3.12Å |
| 629 | S | 80.5 | Confident | 86.9 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.8 | 173.7 | 70 | 0 | 0 | 0 | 0 | 115.2 | R625 H626 L627 Q631 | R625-S629 VanDerWaalsContact O-CB 3.25Å; R625-S629 WeakPolarHBondContact O-CB 3.28Å; R625-S629 PolarHBondContact O-N 2.89Å; R625-S629 PolarHBondContact O-OG 3.07Å; H626-S629 PolarHBondContact O-OG 3.34Å; L627-S629 PolarHBondContact O-N 3.49Å; L627-S629 VanDerWaalsContact O-N 3.13Å; S629-Q631 PolarHBondContact O-N 2.95Å |
| 630 | Q | 79.3 | Confident | 85.5 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | trans | -79 | 103.3 | -179.4 | -56.7 | -51.6 | -41.1 | 0 | 0 | 110.9 | W233 H626 L627 K632 | W233-Q630 WeakPolarHBondContact CZ3-O 3.46Å; H626-Q630 PolarHBondContact O-NE2 2.99Å; L627-Q630 PolarHBondContact O-N 2.83Å; L627-Q630 VanDerWaalsContact O-N 3.11Å; Q630-K632 PolarHBondContact O-N 3.07Å | ||
| 631 | Q | 78.7 | Confident | 83.8 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | trans | -69.8 | 114.1 | 178 | -167.7 | 180 | 39.1 | 0 | 0 | 111.1 | K236 S629 | K236-Q631 PolarHBondContact O-NE2 3.2Å; S629-Q631 PolarHBondContact O-N 2.95Å | ||
| 632 | K | 87.9 | Confident | 82.2 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | trans | -65.5 | 143.2 | 171 | -60.9 | -164.3 | -177.4 | -172.9 | 0 | 110.4 | D195 D198 W233 G237 S238 Q630 F634 | D195-K632 IonicContact OD1-NZ 2.77Å; D195-K632 IonicContact OD2-NZ 3.31Å; D195-K632 PolarHBondContact OD2-NZ 3.25Å; D198-K632 WeakPolarHBondContact OD1-CE 3.39Å; D198-K632 IonicContact OD1-NZ 3.27Å; D198-K632 PolarHBondContact OD1-NZ 3.39Å; D198-K632 IonicContact OD2-NZ 2.78Å; D198-K632 PolarHBondContact OD2-NZ 3.42Å; W233-K632 HydrophobicContact CB-CB 4.48Å; W233-K632 HydrophobicContact CB-CD 3.98Å; W233-K632 HydrophobicContact CB-CG 4.37Å; W233-K632 HydrophobicContact CD2-CD 3.95Å; W233-K632 HydrophobicContact CD2-CG 4.04Å; W233-K632 HydrophobicContact CE3-CD 4.44Å; W233-K632 HydrophobicContact CE3-CG 4.01Å; W233-K632 HydrophobicContact CG-CD 3.75Å; W233-K632 HydrophobicContact CG-CG 4.24Å; G237-K632 VanDerWaalsContact CA-O 3.27Å; G237-K632 WeakPolarHBondContact CA-O 3.33Å; S238-K632 PolarHBondContact N-O 3Å; Q630-K632 PolarHBondContact O-N 3.07Å; K632-F634 HydrophobicContact CB-CE2 3.74Å; K632-F634 HydrophobicContact CB-CZ 3.89Å | ||
| 633 | K | 90.3 | Very high | 80.9 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.7 | 176 | -169.8 | -161.6 | -179 | -151.6 | 0 | 110.2 | S238 E240 N635 | S238-K633 CarbonylContact O-C 3.51Å; S238-K633 WeakPolarHBondContact O-CA 3.49Å; E240-K633 IonicContact OE1-NZ 2.72Å; E240-K633 PolarHBondContact OE1-NZ 2.87Å; E240-K633 WeakPolarHBondContact OE2-CE 3.25Å; E240-K633 IonicContact OE2-NZ 2.68Å; E240-K633 PolarHBondContact OE2-NZ 2.89Å; K633-N635 VanDerWaalsContact CE-OD1 3.24Å; K633-N635 WeakPolarHBondContact CE-OD1 3.47Å; K633-N635 PolarHBondContact NZ-OD1 3.25Å |
| 634 | F | 91.3 | Very high | 79.6 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134 | 178.2 | -57.2 | -91.3 | 0 | 0 | 0 | 109.6 | W233 F234 S238 L239 E240 K632 L636 | W233-F634 HydrophobicContact CB-CZ 4.11Å; W233-F634 WeakPolarHBondContact O-CE2 3.32Å; F234-F634 HydrophobicContact CB-CZ 4.36Å; F234-F634 HydrophobicContact CD2-CB 4.38Å; F234-F634 AromaticContact CD2-CD1 3.71Å; F234-F634 HydrophobicContact CD2-CD1 3.71Å; F234-F634 HydrophobicContact CD2-CD2 4.17Å; F234-F634 AromaticContact CD2-CE1 3.97Å; F234-F634 HydrophobicContact CD2-CE1 3.97Å; F234-F634 HydrophobicContact CD2-CE2 4.42Å; F234-F634 AromaticContact CD2-CG 3.81Å; F234-F634 HydrophobicContact CD2-CG 3.81Å; F234-F634 HydrophobicContact CD2-CZ 4.32Å; F234-F634 HydrophobicContact CE2-CB 4.19Å; F234-F634 HydrophobicContact CE2-CD1 4.16Å; F234-F634 HydrophobicContact CE2-CG 4.11Å; S238-F634 PolarHBondContact O-N 2.6Å; L239-F634 HydrophobicContact CD2-CB 4Å; L239-F634 HydrophobicContact CD2-CD2 4.13Å; L239-F634 HydrophobicContact CD2-CG 4.41Å; E240-F634 PolarHBondContact N-O 2.98Å; K632-F634 HydrophobicContact CB-CE2 3.74Å; K632-F634 HydrophobicContact CB-CZ 3.89Å; F634-L636 HydrophobicContact CB-CD1 3.85Å; F634-L636 WeakPolarHBondContact O-CD1 3.32Å |
| 635 | N | 92.6 | Very high | 78.9 | Confident | 104 Ų | 104 | 71.8 Ų | 71.8 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 104.7 | -178.3 | -44.1 | -82.3 | 0 | 0 | 0 | 108.5 | E240 K633 | E240-N635 CarbonylContact O-C 3.54Å; E240-N635 WeakPolarHBondContact O-CA 3.41Å; K633-N635 VanDerWaalsContact CE-OD1 3.24Å; K633-N635 WeakPolarHBondContact CE-OD1 3.47Å; K633-N635 PolarHBondContact NZ-OD1 3.25Å |
| 636 | L | 93 | Very high | 78.4 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 161.1 | -173.1 | -67.5 | 66.6 | 0 | 0 | 0 | 110.1 | F234 L239 E240 V241 D242 F634 D773 L777 | F234-L636 HydrophobicContact CZ-CD2 4.49Å; L239-L636 HydrophobicContact CB-CD1 4.21Å; L239-L636 HydrophobicContact CD2-CD1 4.19Å; E240-L636 PolarHBondContact O-N 3.39Å; V241-L636 HydrophobicContact CG2-CB 4.23Å; V241-L636 HydrophobicContact CG2-CD2 4.41Å; D242-L636 PolarHBondContact N-O 3.07Å; F634-L636 HydrophobicContact CB-CD1 3.85Å; F634-L636 WeakPolarHBondContact O-CD1 3.32Å; L636-D773 HydrophobicContact CD2-CB 4.2Å; L636-D773 HydrophobicContact CG-CB 3.97Å; L636-D773 WeakPolarHBondContact CG-OD2 3.42Å; L636-L777 HydrophobicContact CD2-CB 4.3Å; L636-L777 HydrophobicContact CD2-CD2 3.9Å |
| 637 | K | 90 | Very high | 78 | Confident | 138 Ų | 138 | 72.7 Ų | 72.7 | 60% | 0.6 | 40% | 0.402 | S | S | * | . | trans | -125.7 | 137.7 | 171.9 | -65.2 | -175.8 | 179.8 | -179.9 | 0 | 111.3 | D242 I639 F774 | D242-K637 WeakPolarHBondContact OD1-CA 3.18Å; K637-I639 VanDerWaalsContact C-N 3.32Å; K637-I639 HydrophobicContact CB-CD1 4.45Å; K637-I639 HydrophobicContact CB-CG1 4.07Å; K637-I639 PolarHBondContact O-N 3.4Å; K637-F774 WeakPolarHBondContact O-CB 3.24Å | ||
| 638 | S | 85.3 | Confident | 77.7 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | trans | -75.3 | 80.7 | 175.9 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | D242 N640 | D242-S638 WeakPolarHBondContact OD2-CB 3.15Å; D242-S638 PolarHBondContact OD2-N 3Å; D242-S638 PolarHBondContact OD2-OG 2.95Å; S638-N640 VanDerWaalsContact C-N 3.28Å; S638-N640 PolarHBondContact O-N 3.15Å | ||
| 639 | I | 75.3 | Confident | 77.7 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | trans | -85.2 | 70.6 | 178.3 | -54.9 | -173.7 | 0 | 0 | 0 | 110.1 | K637 I641 P770 | K637-I639 VanDerWaalsContact C-N 3.32Å; K637-I639 HydrophobicContact CB-CD1 4.45Å; K637-I639 HydrophobicContact CB-CG1 4.07Å; K637-I639 PolarHBondContact O-N 3.4Å; I639-I641 HydrophobicContact CG2-CD1 3.94Å; I639-I641 HydrophobicContact CG2-CG1 3.87Å; I639-I641 PolarHBondContact O-N 3.49Å; I639-P770 HydrophobicContact CD1-CB 4.12Å | ||
| 640 | N | 64.9 | Low | 77.3 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 70% | 0.695 | 40% | 0.4 | S | S | * | . | trans | -85.9 | 86.1 | 172.9 | -77.8 | -20.9 | 0 | 0 | 0 | 110.7 | S638 | S638-N640 VanDerWaalsContact C-N 3.28Å; S638-N640 PolarHBondContact O-N 3.15Å | ||
| 641 | I | 59.1 | Low | 77.1 | Confident | 93 Ų | 93 | 79 Ų | 79 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | trans | -83.8 | 115 | 174.9 | -53.7 | 167.8 | 0 | 0 | 0 | 109.1 | I639 Y643 | I639-I641 HydrophobicContact CG2-CD1 3.94Å; I639-I641 HydrophobicContact CG2-CG1 3.87Å; I639-I641 PolarHBondContact O-N 3.49Å; I641-Y643 HydrophobicContact CB-CD1 4.26Å; I641-Y643 HydrophobicContact CB-CE1 3.54Å; I641-Y643 HydrophobicContact CD1-CE1 4.26Å; I641-Y643 HydrophobicContact CG2-CD1 3.66Å; I641-Y643 HydrophobicContact CG2-CE1 3.35Å; I641-Y643 WeakPolarHBondContact O-CD2 3.4Å; I641-Y643 WeakPolarHBondContact O-CE2 3.46Å; I641-Y643 PolarHBondContact O-N 2.8Å | ||
| 642 | A | 58.5 | Low | 76.9 | Confident | 101 Ų | 101 | 78.3 Ų | 78.3 | 84% | 0.835 | 42% | 0.424 | S | S | * | . | trans | -78.9 | 99.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 643 | Y | 63.9 | Low | 76.2 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 17% | 0.165 | 43% | 0.429 | C | S | . | . | trans | -75.7 | 138.6 | -178.8 | -49.4 | -67.2 | 0 | 0 | 0 | 112.1 | L415 I641 L645 | L415-Y643 HydrophobicContact CD1-CE1 4.11Å; L415-Y643 HydrophobicContact CD2-CD1 4.38Å; L415-Y643 HydrophobicContact CD2-CE1 3.39Å; L415-Y643 HydrophobicContact CG-CD1 4.04Å; L415-Y643 HydrophobicContact CG-CE1 3.46Å; L415-Y643 VanDerWaalsContact CG-CE1 3.46Å; I641-Y643 HydrophobicContact CB-CD1 4.26Å; I641-Y643 HydrophobicContact CB-CE1 3.54Å; I641-Y643 HydrophobicContact CD1-CE1 4.26Å; I641-Y643 HydrophobicContact CG2-CD1 3.66Å; I641-Y643 HydrophobicContact CG2-CE1 3.35Å; I641-Y643 WeakPolarHBondContact O-CD2 3.4Å; I641-Y643 WeakPolarHBondContact O-CE2 3.46Å; I641-Y643 PolarHBondContact O-N 2.8Å; Y643-L645 HydrophobicContact CD2-CD1 4.35Å; Y643-L645 PolarHBondContact O-N 3.02Å | ||
| 644 | P | 63.9 | Low | 75.7 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 72% | 0.721 | 42% | 0.42 | S | S | * | . | trans | -75.9 | 70.4 | 170.1 | 32.8 | -35 | 0 | 0 | 0 | 110.3 | ||||
| 645 | L | 70.8 | Confident | 75.6 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 18% | 0.178 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 141.1 | 177.7 | -71 | 154.9 | 0 | 0 | 0 | 110.4 | Q414 Y643 L729 L870 | Q414-L645 HydrophobicContact CG-CD2 4.4Å; Y643-L645 HydrophobicContact CD2-CD1 4.35Å; Y643-L645 PolarHBondContact O-N 3.02Å; L645-L729 HydrophobicContact CD1-CD2 3.43Å; L645-L729 VanDerWaalsContact CD1-CD2 3.43Å; L645-L729 HydrophobicContact CD2-CD2 4.04Å; L645-L729 HydrophobicContact CG-CD2 4.38Å; L645-L870 HydrophobicContact CD2-CB 4.18Å |
| 646 | K | 74.3 | Confident | 75.4 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -69 | 141.7 | 175.9 | -78.7 | -165.5 | 168.3 | -165.9 | 0 | 110.5 | E652 F871 Y872 | K646-E652 IonicContact NZ-OE2 3.08Å; K646-E652 PolarHBondContact NZ-OE2 3.12Å; K646-F871 VanDerWaalsContact O-CA 3.31Å; K646-F871 WeakPolarHBondContact O-CA 3.46Å; K646-Y872 PolarHBondContact O-N 3.39Å |
| 647 | A | 75.9 | Confident | 75.4 | Confident | 67 Ų | 67 | 76 Ų | 76 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 159.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 648 | Y | 78.7 | Confident | 75.5 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 15% | 0.153 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 143.7 | 169.4 | -175.6 | -100.4 | 0 | 0 | 0 | 110.3 | A650 F653 L858 L863 L867 F871 H940 E941 | Y648-A650 HydrophobicContact CE1-CB 4.01Å; Y648-F653 AromaticContact CD2-CD2 3.52Å; Y648-F653 HydrophobicContact CD2-CD2 3.52Å; Y648-F653 AromaticContact CD2-CE2 3.73Å; Y648-F653 HydrophobicContact CD2-CE2 3.73Å; Y648-F653 HydrophobicContact CD2-CG 4.44Å; Y648-F653 HydrophobicContact CE2-CB 3.99Å; Y648-F653 AromaticContact CE2-CD2 3.17Å; Y648-F653 HydrophobicContact CE2-CD2 3.17Å; Y648-F653 AromaticContact CE2-CE2 3.86Å; Y648-F653 HydrophobicContact CE2-CE2 3.86Å; Y648-F653 AromaticContact CE2-CG 3.73Å; Y648-F653 HydrophobicContact CE2-CG 3.73Å; Y648-F653 HydrophobicContact CG-CD2 4.33Å; Y648-F653 AromaticContact CZ-CD2 3.75Å; Y648-F653 WeakPolarHBondContact OH-CB 3.13Å; Y648-L858 HydrophobicContact CD1-CD1 3.93Å; Y648-L858 HydrophobicContact CD2-CD1 3.73Å; Y648-L858 HydrophobicContact CE1-CD1 4.42Å; Y648-L858 HydrophobicContact CE2-CD1 4.23Å; Y648-L858 HydrophobicContact CG-CD1 3.58Å; Y648-L863 HydrophobicContact CE2-CD2 4.35Å; Y648-L867 HydrophobicContact CE2-CD1 4.42Å; Y648-F871 HydrophobicContact CD2-CE1 4.32Å; Y648-F871 AromaticContact CD2-CE2 3.81Å; Y648-F871 HydrophobicContact CD2-CE2 3.81Å; Y648-F871 AromaticContact CD2-CZ 3.72Å; Y648-F871 HydrophobicContact CD2-CZ 3.72Å; Y648-F871 HydrophobicContact CE2-CZ 4.36Å; Y648-H940 HydrophobicContact CE1-CB 3.88Å; Y648-H940 AromaticContact CZ-ND1 3.88Å; Y648-H940 PolarHBondContact OH-ND1 3.26Å; Y648-E941 HydrophobicContact CD1-CG 4.07Å |
| 649 | N | 78.1 | Confident | 75.9 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 31% | 0.31 | 39% | 0.393 | S | S | . | . | trans | -140.4 | 106.6 | 176.8 | 175.8 | 10.1 | 0 | 0 | 0 | 109.7 | E651 E652 F653 | N649-E651 PolarHBondContact O-N 2.87Å; N649-E651 PolarHBondContact OD1-N 2.88Å; N649-E652 HydrophobicContact CB-CB 4.3Å; N649-E652 PolarHBondContact ND2-OE1 2.94Å; N649-E652 PolarHBondContact O-N 2.85Å; N649-F653 WeakPolarHBondContact O-CD2 3.47Å | ||
| 650 | A | 71.9 | Confident | 76.8 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y648 | Y648-A650 HydrophobicContact CE1-CB 4.01Š|
| 651 | E | 74.6 | Confident | 78.3 | Confident | 184 Ų | 184 | 62.7 Ų | 62.7 | 86% | 0.86 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -22 | 175.9 | -60.8 | -171.8 | 167.2 | 0 | 0 | 113.7 | N649 F653 | N649-E651 PolarHBondContact O-N 2.87Å; N649-E651 PolarHBondContact OD1-N 2.88Å; E651-F653 VanDerWaalsContact C-N 3.35Å |
| 652 | E | 75.6 | Confident | 80 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -7.9 | 175.8 | -85.9 | 173 | -107.6 | 0 | 0 | 112.9 | K646 N649 | K646-E652 IonicContact NZ-OE2 3.08Å; K646-E652 PolarHBondContact NZ-OE2 3.12Å; N649-E652 HydrophobicContact CB-CB 4.3Å; N649-E652 PolarHBondContact ND2-OE1 2.94Å; N649-E652 PolarHBondContact O-N 2.85Å |
| 653 | F | 73.1 | Confident | 81.9 | Confident | 43 Ų | 43 | 54 Ų | 54 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -123.4 | 157.9 | -162 | -73.8 | -50.1 | 0 | 0 | 0 | 114.4 | Y648 N649 E651 L867 F871 | Y648-F653 AromaticContact CD2-CD2 3.52Å; Y648-F653 HydrophobicContact CD2-CD2 3.52Å; Y648-F653 AromaticContact CD2-CE2 3.73Å; Y648-F653 HydrophobicContact CD2-CE2 3.73Å; Y648-F653 HydrophobicContact CD2-CG 4.44Å; Y648-F653 HydrophobicContact CE2-CB 3.99Å; Y648-F653 AromaticContact CE2-CD2 3.17Å; Y648-F653 HydrophobicContact CE2-CD2 3.17Å; Y648-F653 AromaticContact CE2-CE2 3.86Å; Y648-F653 HydrophobicContact CE2-CE2 3.86Å; Y648-F653 AromaticContact CE2-CG 3.73Å; Y648-F653 HydrophobicContact CE2-CG 3.73Å; Y648-F653 HydrophobicContact CG-CD2 4.33Å; Y648-F653 AromaticContact CZ-CD2 3.75Å; Y648-F653 WeakPolarHBondContact OH-CB 3.13Å; N649-F653 WeakPolarHBondContact O-CD2 3.47Å; E651-F653 VanDerWaalsContact C-N 3.35Å; F653-L867 HydrophobicContact CD1-CD1 3.74Å; F653-L867 HydrophobicContact CD1-CD2 3.91Å; F653-L867 HydrophobicContact CD1-CG 4.35Å; F653-L867 HydrophobicContact CE1-CB 4.43Å; F653-L867 HydrophobicContact CE1-CD1 3.98Å; F653-L867 HydrophobicContact CE1-CD2 4.36Å; F653-L867 HydrophobicContact CG-CD1 4.15Å; F653-F871 HydrophobicContact CE1-CZ 4.4Å; F653-F871 AromaticContact CE2-CE1 3.82Å; F653-F871 HydrophobicContact CE2-CE1 3.82Å; F653-F871 AromaticContact CE2-CZ 3.88Å; F653-F871 HydrophobicContact CE2-CZ 3.88Å; F653-F871 AromaticContact CZ-CE1 3.64Å; F653-F871 HydrophobicContact CZ-CE1 3.64Å; F653-F871 AromaticContact CZ-CZ 3.77Å; F653-F871 HydrophobicContact CZ-CZ 3.77Å |
| 654 | P | 79.2 | Confident | 83.5 | Confident | 38 Ų | 38 | 52 Ų | 52 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | trans | -61.7 | 167.9 | -173.2 | 18.1 | -30.8 | 0 | 0 | 0 | 115.2 | D658 M662 L867 H940 | P654-D658 HydrophobicContact CB-CB 3.54Å; P654-M662 HydrophobicContact CG-CE 3.77Å; P654-L867 HydrophobicContact CG-CD2 3.77Å; P654-H940 PolarHBondContact O-CE1 2.76Å; P654-H940 VanDerWaalsContact O-CE1 3.22Å | ||
| 655 | S | 88.2 | Confident | 85.1 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 42% | 0.42 | 26% | 0.261 | S | S | . | . | trans | -59.3 | 159.9 | 172.4 | 77.8 | 0 | 0 | 0 | 0 | 112.3 | E657 D658 A659 | S655-E657 VanDerWaalsContact C-N 3.25Å; S655-E657 PolarHBondContact O-N 3.16Å; S655-D658 PolarHBondContact O-N 2.79Å; S655-D658 VanDerWaalsContact O-N 3.12Å; S655-D658 WeakPolarHBondContact OG-CB 3.46Å; S655-D658 PolarHBondContact OG-N 3.48Å; S655-D658 VanDerWaalsContact OG-N 3.08Å; S655-D658 PolarHBondContact OG-OD2 2.69Å; S655-A659 WeakPolarHBondContact O-CB 3.47Å; S655-A659 PolarHBondContact O-N 2.97Å | ||
| 656 | L | 90.1 | Very high | 86.4 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 176.8 | -178.8 | 58.7 | 0 | 0 | 0 | 111.9 | L660 I913 F939 H940 L943 F944 V998 L999 | L656-L660 WeakPolarHBondContact O-CB 3.31Å; L656-L660 PolarHBondContact O-N 3.48Å; L656-I913 HydrophobicContact CD1-CD1 4.06Å; L656-F939 HydrophobicContact CB-CE2 4.14Å; L656-F939 HydrophobicContact CD2-CD2 4.39Å; L656-H940 WeakPolarHBondContact CA-NE2 3.2Å; L656-H940 PolarHBondContact N-NE2 3.19Å; L656-L943 HydrophobicContact CD1-CD1 3.89Å; L656-L943 HydrophobicContact CD2-CD1 3.78Å; L656-F944 HydrophobicContact CD1-CE2 3.61Å; L656-F944 HydrophobicContact CD1-CZ 3.99Å; L656-V998 HydrophobicContact CD2-CB 3.93Å; L656-V998 HydrophobicContact CD2-CG2 3.98Å; L656-L999 HydrophobicContact CD2-CB 4.12Å; L656-L999 HydrophobicContact CD2-CD1 4.38Å; L656-L999 HydrophobicContact CG-CD1 4.4Å |
| 657 | E | 92.3 | Very high | 87.5 | Confident | 73 Ų | 73 | 42.1 Ų | 42.1 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.5 | -43 | 175.6 | -63.3 | -151.4 | 147.9 | 0 | 0 | 112.2 | S655 S661 L999 R1005 W1006 | S655-E657 VanDerWaalsContact C-N 3.25Å; S655-E657 PolarHBondContact O-N 3.16Å; E657-S661 WeakPolarHBondContact O-CA 3.34Å; E657-S661 WeakPolarHBondContact O-CB 3.38Å; E657-S661 PolarHBondContact O-N 2.89Å; E657-L999 HydrophobicContact CG-CD1 4.09Å; E657-R1005 VanDerWaalsContact CD-NH2 3.3Å; E657-R1005 IonicContact OE1-CZ 3.12Å; E657-R1005 IonicContact OE1-NH1 3.77Å; E657-R1005 PolarHBondContact OE1-NH1 3.26Å; E657-R1005 IonicContact OE1-NH2 3.65Å; E657-R1005 PolarHBondContact OE1-NH2 2.75Å; E657-R1005 IonicContact OE2-CZ 3.33Å; E657-R1005 IonicContact OE2-NH1 2.87Å; E657-R1005 IonicContact OE2-NH2 2.79Å; E657-R1005 PolarHBondContact OE2-NH2 3.15Å; E657-W1006 HydrophobicContact CB-CH2 4.15Å; E657-W1006 HydrophobicContact CG-CH2 3.88Å; E657-W1006 HydrophobicContact CG-CZ2 4.49Å |
| 658 | D | 92 | Very high | 88.6 | Confident | 69 Ų | 69 | 39.7 Ų | 39.7 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 176.5 | -83.5 | -77.8 | 0 | 0 | 0 | 112.1 | K363 P654 S655 S661 M662 | K363-D658 IonicContact NZ-OD1 3.87Å; K363-D658 PolarHBondContact NZ-OD1 3.48Å; P654-D658 HydrophobicContact CB-CB 3.54Å; S655-D658 PolarHBondContact O-N 2.79Å; S655-D658 VanDerWaalsContact O-N 3.12Å; S655-D658 WeakPolarHBondContact OG-CB 3.46Å; S655-D658 PolarHBondContact OG-N 3.48Å; S655-D658 VanDerWaalsContact OG-N 3.08Å; S655-D658 PolarHBondContact OG-OD2 2.69Å; D658-S661 PolarHBondContact O-N 3.17Å; D658-M662 WeakPolarHBondContact O-CG 3.39Å; D658-M662 PolarHBondContact O-N 2.59Å; D658-M662 VanDerWaalsContact O-N 3.08Å |
| 659 | A | 93.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -51.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S655 S661 M662 V663 L863 F944 | S655-A659 WeakPolarHBondContact O-CB 3.47Å; S655-A659 PolarHBondContact O-N 2.97Å; A659-S661 PolarHBondContact O-N 3.25Å; A659-M662 PolarHBondContact O-N 3.34Å; A659-V663 WeakPolarHBondContact O-CG2 3.36Å; A659-V663 PolarHBondContact O-N 2.97Å; A659-L863 HydrophobicContact CB-CD1 3.91Å; A659-F944 HydrophobicContact CB-CE2 3.89Å; A659-F944 HydrophobicContact CB-CZ 3.92Å |
| 660 | L | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.5 | -178.7 | 64.3 | 0 | 0 | 0 | 111.7 | L656 M662 V663 L664 I913 L917 F944 L999 W1006 | L656-L660 WeakPolarHBondContact O-CB 3.31Å; L656-L660 PolarHBondContact O-N 3.48Å; L660-M662 PolarHBondContact O-N 2.84Å; L660-V663 PolarHBondContact O-N 3.04Å; L660-L664 HydrophobicContact CD1-CD1 3.89Å; L660-L664 HydrophobicContact CD1-CD2 4.05Å; L660-L664 HydrophobicContact CD1-CG 3.71Å; L660-L664 HydrophobicContact CD2-CD1 4.33Å; L660-L664 HydrophobicContact CG-CD1 3.76Å; L660-L664 HydrophobicContact CG-CG 4.01Å; L660-L664 WeakPolarHBondContact O-CB 3.21Å; L660-L664 WeakPolarHBondContact O-CG 3.33Å; L660-L664 PolarHBondContact O-N 3.18Å; L660-I913 HydrophobicContact CD1-CD1 4.04Å; L660-I913 HydrophobicContact CD1-CG1 4.16Å; L660-I913 HydrophobicContact CD1-CG2 4.18Å; L660-I913 HydrophobicContact CD2-CD1 4.11Å; L660-L917 HydrophobicContact CD1-CD1 3.7Å; L660-L917 HydrophobicContact CD2-CD1 3.82Å; L660-L917 HydrophobicContact CG-CD1 4.31Å; L660-F944 HydrophobicContact CB-CZ 4.17Å; L660-F944 HydrophobicContact CD1-CE1 4.39Å; L660-L999 HydrophobicContact CD2-CD1 4.31Å; L660-L999 HydrophobicContact CD2-CD2 3.98Å; L660-W1006 HydrophobicContact CD2-CD2 4.08Å; L660-W1006 HydrophobicContact CD2-CE3 3.75Å; L660-W1006 HydrophobicContact CD2-CH2 4.36Å; L660-W1006 HydrophobicContact CD2-CZ3 3.91Å; L660-W1006 HydrophobicContact CG-CE3 4.41Å |
| 661 | S | 95.1 | Very high | 91.6 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 112.9 | E657 D658 A659 R665 Q1009 | E657-S661 WeakPolarHBondContact O-CA 3.34Å; E657-S661 WeakPolarHBondContact O-CB 3.38Å; E657-S661 PolarHBondContact O-N 2.89Å; D658-S661 PolarHBondContact O-N 3.17Å; A659-S661 PolarHBondContact O-N 3.25Å; S661-R665 WeakPolarHBondContact O-CD 3.4Å; S661-R665 WeakPolarHBondContact O-CG 3.26Å; S661-R665 PolarHBondContact O-NH1 3.31Å; S661-R665 PolarHBondContact OG-NH1 3.39Å; S661-Q1009 PolarHBondContact OG-OE1 3.37Å |
| 662 | M | 95.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -75.7 | -52 | 170 | -69.5 | -175.8 | -59.5 | 0 | 0 | 111.9 | K363 W364 P654 D658 A659 L660 L664 R665 L666 C866 L867 | K363-M662 HydrophobicContact CB-SD 4.03Å; K363-M662 HydrophobicContact CD-CG 4.21Å; K363-M662 HydrophobicContact CD-SD 3.54Å; K363-M662 VanDerWaalsContact CD-SD 3.54Å; K363-M662 HydrophobicContact CG-SD 4.38Å; W364-M662 HydrophobicContact CE3-CB 4.47Å; W364-M662 WeakPolarHBondContact CH2-O 3.35Å; W364-M662 HydrophobicContact CZ3-CB 3.82Å; W364-M662 HydrophobicContact CZ3-CG 4.21Å; P654-M662 HydrophobicContact CG-CE 3.77Å; D658-M662 WeakPolarHBondContact O-CG 3.39Å; D658-M662 PolarHBondContact O-N 2.59Å; D658-M662 VanDerWaalsContact O-N 3.08Å; A659-M662 PolarHBondContact O-N 3.34Å; L660-M662 PolarHBondContact O-N 2.84Å; M662-L664 PolarHBondContact O-N 2.77Å; M662-R665 PolarHBondContact O-N 2.98Å; M662-L666 PolarHBondContact O-N 3.45Å; M662-C866 HydrophobicContact CB-CB 3.9Å; M662-L867 HydrophobicContact CE-CD2 3.84Å |
| 663 | V | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | -175.4 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | A659 L660 R665 L666 V669 A862 L863 V914 F944 | A659-V663 WeakPolarHBondContact O-CG2 3.36Å; A659-V663 PolarHBondContact O-N 2.97Å; L660-V663 PolarHBondContact O-N 3.04Å; V663-R665 PolarHBondContact O-N 3.25Å; V663-L666 WeakPolarHBondContact O-CB 3.47Å; V663-L666 PolarHBondContact O-N 2.91Å; V663-L666 VanDerWaalsContact O-N 3.09Å; V663-V669 HydrophobicContact CG1-CG1 4.3Å; V663-V669 HydrophobicContact CG1-CG2 3.98Å; V663-V669 VanDerWaalsContact O-CB 3.28Å; V663-V669 WeakPolarHBondContact O-CB 3.46Å; V663-V669 WeakPolarHBondContact O-CG1 3.38Å; V663-A862 HydrophobicContact CG1-CB 4.19Å; V663-L863 HydrophobicContact CG2-CB 4.15Å; V663-L863 HydrophobicContact CG2-CD1 4.22Å; V663-V914 HydrophobicContact CG1-CG2 3.98Å; V663-F944 HydrophobicContact CB-CE1 4.07Å; V663-F944 HydrophobicContact CG1-CD1 4.36Å; V663-F944 HydrophobicContact CG1-CE1 4.15Å; V663-F944 HydrophobicContact CG2-CD1 4.17Å; V663-F944 HydrophobicContact CG2-CE1 3.89Å |
| 664 | L | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.1 | 177.6 | -67.9 | 178.5 | 0 | 0 | 0 | 114.3 | L660 M662 V669 C670 V914 L917 W1006 Q1009 W1010 | L660-L664 HydrophobicContact CD1-CD1 3.89Å; L660-L664 HydrophobicContact CD1-CD2 4.05Å; L660-L664 HydrophobicContact CD1-CG 3.71Å; L660-L664 HydrophobicContact CD2-CD1 4.33Å; L660-L664 HydrophobicContact CG-CD1 3.76Å; L660-L664 HydrophobicContact CG-CG 4.01Å; L660-L664 WeakPolarHBondContact O-CB 3.21Å; L660-L664 WeakPolarHBondContact O-CG 3.33Å; L660-L664 PolarHBondContact O-N 3.18Å; M662-L664 PolarHBondContact O-N 2.77Å; L664-V669 HydrophobicContact CD2-CG1 4.27Å; L664-C670 WeakPolarHBondContact O-CA 3.49Å; L664-C670 WeakPolarHBondContact O-CB 3.31Å; L664-V914 HydrophobicContact CD2-CG2 4.23Å; L664-L917 HydrophobicContact CD2-CD1 4.45Å; L664-W1006 HydrophobicContact CD1-CB 4.39Å; L664-W1006 HydrophobicContact CD1-CE3 4.32Å; L664-Q1009 HydrophobicContact CD1-CB 4.4Å; L664-W1010 HydrophobicContact CB-CB 4.28Å; L664-W1010 HydrophobicContact CD2-CB 4.24Å; L664-W1010 HydrophobicContact CD2-CG 4.45Å; L664-W1010 WeakPolarHBondContact O-CA 3.45Å |
| 665 | R | 98 | Very high | 94.8 | Very high | 36 Ų | 36 | 19.5 Ų | 19.5 | 14% | 0.136 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -11.3 | 179.4 | -70.3 | 179.1 | 171.9 | 82.9 | -1.9 | 113.8 | Y360 L362 W364 S661 M662 V663 E1012 T1013 | Y360-R665 WeakPolarHBondContact OH-CD 3.11Å; Y360-R665 VanDerWaalsContact OH-CG 3.31Å; Y360-R665 WeakPolarHBondContact OH-CG 3.48Å; Y360-R665 PolarHBondContact OH-NE 3.04Å; L362-R665 HydrophobicContact CD2-CB 4.16Å; W364-R665 HydrophobicContact CH2-CB 4.08Å; S661-R665 WeakPolarHBondContact O-CD 3.4Å; S661-R665 WeakPolarHBondContact O-CG 3.26Å; S661-R665 PolarHBondContact O-NH1 3.31Å; S661-R665 PolarHBondContact OG-NH1 3.39Å; M662-R665 PolarHBondContact O-N 2.98Å; V663-R665 PolarHBondContact O-N 3.25Å; R665-E1012 IonicContact CZ-OE2 2.74Å; R665-E1012 IonicContact NE-OE2 3.88Å; R665-E1012 PolarHBondContact NE-OE2 3.04Å; R665-E1012 IonicContact NH2-OE2 3.71Å; R665-E1012 PolarHBondContact NH2-OE2 3.44Å; R665-T1013 PolarHBondContact O-OG1 3.15Å |
| 666 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -68.1 | 129.4 | 177.6 | -172.8 | 70.2 | 0 | 0 | 0 | 110 | W364 M662 V663 S668 V669 C670 A862 Q865 | W364-L666 HydrophobicContact CH2-CB 4.43Å; W364-L666 HydrophobicContact CZ2-CB 4.25Å; W364-L666 HydrophobicContact CZ2-CD1 3.77Å; M662-L666 PolarHBondContact O-N 3.45Å; V663-L666 WeakPolarHBondContact O-CB 3.47Å; V663-L666 PolarHBondContact O-N 2.91Å; V663-L666 VanDerWaalsContact O-N 3.09Å; L666-S668 VanDerWaalsContact C-N 3.26Å; L666-S668 PolarHBondContact O-N 2.78Å; L666-V669 PolarHBondContact O-N 2.94Å; L666-C670 PolarHBondContact O-N 2.91Å; L666-A862 HydrophobicContact CD2-CB 3.56Å; L666-Q865 HydrophobicContact CD1-CG 4.42Å |
| 667 | P | 97.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -28.9 | -176.8 | -36.3 | 38.3 | 0 | 0 | 0 | 118.3 | F352 L355 A405 S407 K672 | F352-P667 HydrophobicContact CE2-CB 4.11Å; F352-P667 HydrophobicContact CE2-CG 4.32Å; F352-P667 HydrophobicContact CZ-CB 3.98Å; L355-P667 HydrophobicContact CD1-CG 3.9Å; A405-P667 CarbonylContact O-C 3.5Å; A405-P667 VanDerWaalsContact O-O 3.06Å; S407-P667 VanDerWaalsContact OG-CD 3.26Å; S407-P667 WeakPolarHBondContact OG-CD 2.98Å; S407-P667 WeakPolarHBondContact OG-CG 3.26Å; P667-K672 VanDerWaalsContact O-CE 3.26Å; P667-K672 WeakPolarHBondContact O-CE 3.43Å |
| 668 | S | 97.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 11% | 0.105 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -34.2 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | A405 L666 K672 D909 | A405-S668 VanDerWaalsContact O-CA 3.22Å; A405-S668 WeakPolarHBondContact O-CA 3.39Å; A405-S668 PolarHBondContact O-N 2.8Å; L666-S668 VanDerWaalsContact C-N 3.26Å; L666-S668 PolarHBondContact O-N 2.78Å; S668-K672 WeakPolarHBondContact O-CE 3.36Å; S668-K672 PolarHBondContact O-NZ 3.14Å; S668-D909 WeakPolarHBondContact CB-OD1 3.03Å; S668-D909 PolarHBondContact OG-OD1 2.95Å |
| 669 | V | 98.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.018 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -48 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | V663 L664 L666 K672 A862 D909 V914 W1010 | V663-V669 HydrophobicContact CG1-CG1 4.3Å; V663-V669 HydrophobicContact CG1-CG2 3.98Å; V663-V669 VanDerWaalsContact O-CB 3.28Å; V663-V669 WeakPolarHBondContact O-CB 3.46Å; V663-V669 WeakPolarHBondContact O-CG1 3.38Å; L664-V669 HydrophobicContact CD2-CG1 4.27Å; L666-V669 PolarHBondContact O-N 2.94Å; V669-K672 PolarHBondContact O-NZ 2.99Å; V669-A862 HydrophobicContact CG2-CB 3.99Å; V669-D909 HydrophobicContact CG2-CB 3.9Å; V669-V914 HydrophobicContact CG1-CG1 3.85Å; V669-V914 HydrophobicContact CG1-CG2 3.88Å; V669-W1010 PolarHBondContact O-NE1 2.78Å |
| 670 | C | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -59.9 | 162.3 | -167.8 | 80.9 | 0 | 0 | 0 | 0 | 113.3 | L664 L666 K672 | L664-C670 WeakPolarHBondContact O-CA 3.49Å; L664-C670 WeakPolarHBondContact O-CB 3.31Å; L666-C670 PolarHBondContact O-N 2.91Å; C670-K672 WeakPolarHBondContact O-CD 3.46Å; C670-K672 WeakPolarHBondContact O-CE 3.38Å; C670-K672 PolarHBondContact O-N 2.97Å; C670-K672 PolarHBondContact O-NZ 3.13Å |
| 671 | S | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -46.5 | 131.6 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 113 | R673 Y674 W1010 E1011 S1014 | S671-R673 VanDerWaalsContact C-N 3.27Å; S671-R673 WeakPolarHBondContact OG-CB 3.45Å; S671-R673 PolarHBondContact OG-N 2.81Å; S671-R673 VanDerWaalsContact OG-N 3.16Å; S671-Y674 WeakPolarHBondContact O-CD1 3.49Å; S671-Y674 WeakPolarHBondContact O-CE1 3.36Å; S671-W1010 WeakPolarHBondContact CB-O 3.38Å; S671-W1010 PolarHBondContact N-O 3.26Å; S671-E1011 WeakPolarHBondContact CB-OE2 3.49Å; S671-E1011 PolarHBondContact OG-OE2 2.81Å; S671-S1014 WeakPolarHBondContact O-CB 3.26Å | ||
| 672 | K | 96.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 9.6 Ų | 9.6 | 17% | 0.17 | 5% | 0.045 | C | C | . | . | trans | -90.1 | 14.1 | 174.8 | -46.4 | -56.2 | -177.1 | -63.4 | 0 | 112.3 | A405 P667 S668 V669 C670 Y674 L675 T676 P699 | A405-K672 HydrophobicContact CB-CD 4.33Å; P667-K672 VanDerWaalsContact O-CE 3.26Å; P667-K672 WeakPolarHBondContact O-CE 3.43Å; S668-K672 WeakPolarHBondContact O-CE 3.36Å; S668-K672 PolarHBondContact O-NZ 3.14Å; V669-K672 PolarHBondContact O-NZ 2.99Å; C670-K672 WeakPolarHBondContact O-CD 3.46Å; C670-K672 WeakPolarHBondContact O-CE 3.38Å; C670-K672 PolarHBondContact O-N 2.97Å; C670-K672 PolarHBondContact O-NZ 3.13Å; K672-Y674 VanDerWaalsContact C-N 3.27Å; K672-Y674 PolarHBondContact O-N 3.22Å; K672-L675 WeakPolarHBondContact O-CA 3.49Å; K672-L675 WeakPolarHBondContact O-CB 3.48Å; K672-L675 PolarHBondContact O-N 2.82Å; K672-T676 HydrophobicContact CB-CG2 4.5Å; K672-T676 PolarHBondContact O-N 3Å; K672-P699 HydrophobicContact CB-CB 4.46Å | ||
| 673 | R | 89.5 | Confident | 91.8 | Very high | 33 Ų | 33 | 9 Ų | 9 | 13% | 0.125 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.6 | -36 | -174.5 | -171.6 | 178.2 | -58.4 | -86.3 | 6 | 113 | S671 L675 T676 N677 F696 H697 P699 E1011 S1014 E1030 | S671-R673 VanDerWaalsContact C-N 3.27Å; S671-R673 WeakPolarHBondContact OG-CB 3.45Å; S671-R673 PolarHBondContact OG-N 2.81Å; S671-R673 VanDerWaalsContact OG-N 3.16Å; R673-L675 PolarHBondContact O-N 3.31Å; R673-L675 VanDerWaalsContact O-N 3.11Å; R673-T676 PolarHBondContact O-N 3.33Å; R673-N677 VanDerWaalsContact O-CB 3.25Å; R673-N677 WeakPolarHBondContact O-CB 3.34Å; R673-N677 PolarHBondContact O-N 3.37Å; R673-N677 PolarHBondContact O-ND2 3.34Å; R673-F696 PolarHBondContact NH1-O 3.35Å; R673-F696 PolarHBondContact NH2-O 3.5Å; R673-H697 PolarHBondContact NH1-O 2.9Å; R673-P699 HydrophobicContact CB-CG 4.13Å; R673-E1011 IonicContact CZ-OE1 2.67Å; R673-E1011 IonicContact NE-OE1 3.64Å; R673-E1011 PolarHBondContact NE-OE1 2.95Å; R673-E1011 IonicContact NE-OE2 3.25Å; R673-E1011 PolarHBondContact NE-OE2 2.7Å; R673-E1011 IonicContact NH2-OE1 3.64Å; R673-E1011 PolarHBondContact NH2-OE1 3.13Å; R673-S1014 WeakPolarHBondContact CB-OG 3.33Å; R673-E1030 WeakPolarHBondContact CD-OE1 3.19Å |
| 674 | Y | 90.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -62.9 | -10.9 | 172.1 | 78.7 | -84 | 0 | 0 | 0 | 114.8 | I382 S671 K672 K678 S1014 I1017 E1018 Q1021 | I382-Y674 HydrophobicContact CD1-CE2 4.37Å; I382-Y674 HydrophobicContact CG1-CE2 3.82Å; S671-Y674 WeakPolarHBondContact O-CD1 3.49Å; S671-Y674 WeakPolarHBondContact O-CE1 3.36Å; K672-Y674 VanDerWaalsContact C-N 3.27Å; K672-Y674 PolarHBondContact O-N 3.22Å; Y674-K678 WeakPolarHBondContact O-CE 3.29Å; Y674-S1014 PolarHBondContact N-OG 3.17Å; Y674-I1017 HydrophobicContact CD1-CD1 4.34Å; Y674-I1017 HydrophobicContact CD2-CB 4.15Å; Y674-I1017 HydrophobicContact CD2-CD1 3.99Å; Y674-I1017 HydrophobicContact CD2-CG2 3.61Å; Y674-I1017 HydrophobicContact CE1-CD1 4.18Å; Y674-I1017 HydrophobicContact CE2-CD1 3.82Å; Y674-I1017 HydrophobicContact CE2-CG2 4.24Å; Y674-I1017 HydrophobicContact CG-CB 4.24Å; Y674-I1017 HydrophobicContact CG-CD1 4.25Å; Y674-I1017 HydrophobicContact CG-CG2 4.13Å; Y674-E1018 WeakPolarHBondContact CA-OE2 3.34Å; Y674-Q1021 PolarHBondContact O-NE2 3.19Å |
| 675 | L | 93.4 | Very high | 91.2 | Very high | 22 Ų | 22 | 10.2 Ų | 10.2 | 12% | 0.115 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -106.1 | -45.4 | 170.8 | -60 | 176.2 | 0 | 0 | 0 | 111.6 | Y350 I382 A405 K672 R673 N677 K678 | Y350-L675 HydrophobicContact CD2-CD1 4.25Å; Y350-L675 HydrophobicContact CE2-CD1 4.42Å; Y350-L675 HydrophobicContact CE2-CD2 4.32Å; I382-L675 HydrophobicContact CD1-CD2 4.18Å; A405-L675 HydrophobicContact CB-CD1 3.89Å; K672-L675 WeakPolarHBondContact O-CA 3.49Å; K672-L675 WeakPolarHBondContact O-CB 3.48Å; K672-L675 PolarHBondContact O-N 2.82Å; R673-L675 PolarHBondContact O-N 3.31Å; R673-L675 VanDerWaalsContact O-N 3.11Å; L675-N677 PolarHBondContact O-N 3.17Å; L675-K678 WeakPolarHBondContact O-CG 3.33Å |
| 676 | T | 88.3 | Confident | 91.1 | Very high | 5 Ų | 5 | 9.5 Ų | 9.5 | 3% | 0.031 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -71.3 | -32.6 | -173.7 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | K672 R673 K678 V679 R681 Q691 C692 P699 | K672-T676 HydrophobicContact CB-CG2 4.5Å; K672-T676 PolarHBondContact O-N 3Å; R673-T676 PolarHBondContact O-N 3.33Å; T676-K678 VanDerWaalsContact C-N 3.32Å; T676-K678 PolarHBondContact O-N 3.05Å; T676-V679 VanDerWaalsContact O-CG2 3.25Å; T676-V679 WeakPolarHBondContact O-CG2 3.08Å; T676-V679 PolarHBondContact O-N 3.32Å; T676-R681 PolarHBondContact O-NH1 3.48Å; T676-Q691 HydrophobicContact CG2-CB 3.72Å; T676-Q691 HydrophobicContact CG2-CG 3.79Å; T676-C692 PolarHBondContact OG1-SG 3.25Å; T676-C692 VanDerWaalsContact OG1-SG 3.42Å; T676-P699 HydrophobicContact CG2-CB 3.77Å |
| 677 | N | 78.7 | Confident | 91 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.011 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.7 | 178.3 | -81.7 | -10.9 | 0 | 0 | 0 | 113.2 | R673 L675 V679 E1030 K1204 S1205 F1206 | R673-N677 VanDerWaalsContact O-CB 3.25Å; R673-N677 WeakPolarHBondContact O-CB 3.34Å; R673-N677 PolarHBondContact O-N 3.37Å; R673-N677 PolarHBondContact O-ND2 3.34Å; L675-N677 PolarHBondContact O-N 3.17Å; N677-V679 PolarHBondContact O-N 2.92Å; N677-E1030 PolarHBondContact ND2-OE1 2.96Å; N677-E1030 PolarHBondContact ND2-OE2 3Å; N677-K1204 HydrophobicContact CB-CD 4.15Å; N677-K1204 HydrophobicContact CB-CG 4.31Å; N677-K1204 CarbonylContact O-C 3.56Å; N677-K1204 WeakPolarHBondContact O-CA 3.43Å; N677-K1204 VanDerWaalsContact O-CB 3.3Å; N677-K1204 WeakPolarHBondContact O-CB 3.28Å; N677-S1205 PolarHBondContact O-N 2.8Å; N677-F1206 HydrophobicContact CB-CZ 4.39Å; N677-F1206 WeakPolarHBondContact OD1-CE1 3.49Å |
| 678 | K | 79.9 | Confident | 90.8 | Very high | 14 Ų | 14 | 10.1 Ų | 10.1 | 6% | 0.061 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.5 | -170.7 | 70 | 175.6 | 73.3 | 168.5 | 0 | 114.7 | S386 N387 S390 N394 Y674 L675 T676 W1203 | S386-K678 PolarHBondContact OG-NZ 3.14Å; N387-K678 PolarHBondContact OD1-NZ 2.77Å; S390-K678 WeakPolarHBondContact CB-O 3.39Å; S390-K678 WeakPolarHBondContact OG-CD 3.27Å; N394-K678 PolarHBondContact ND2-O 2.97Å; Y674-K678 WeakPolarHBondContact O-CE 3.29Å; L675-K678 WeakPolarHBondContact O-CG 3.33Å; T676-K678 VanDerWaalsContact C-N 3.32Å; T676-K678 PolarHBondContact O-N 3.05Å; K678-W1203 WeakPolarHBondContact O-CZ3 3.27Å |
| 679 | V | 85 | Confident | 90.7 | Very high | 11 Ų | 11 | 10.1 Ų | 10.1 | 7% | 0.067 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -109.9 | 146.1 | -179.3 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | N394 V400 T676 N677 R681 S1205 | N394-V679 WeakPolarHBondContact OD1-CA 3.39Å; V400-V679 HydrophobicContact CB-CB 3.89Å; V400-V679 HydrophobicContact CB-CG1 3.86Å; V400-V679 HydrophobicContact CB-CG2 4.11Å; V400-V679 HydrophobicContact CG2-CB 4.3Å; V400-V679 HydrophobicContact CG2-CG1 3.99Å; V400-V679 WeakPolarHBondContact O-CG2 3.3Å; T676-V679 VanDerWaalsContact O-CG2 3.25Å; T676-V679 WeakPolarHBondContact O-CG2 3.08Å; T676-V679 PolarHBondContact O-N 3.32Å; N677-V679 PolarHBondContact O-N 2.92Å; V679-R681 HydrophobicContact CG2-CG 4.1Å; V679-R681 PolarHBondContact O-NH1 2.85Å; V679-R681 VanDerWaalsContact O-NH1 3.08Å; V679-S1205 WeakPolarHBondContact O-CB 3.26Å; V679-S1205 PolarHBondContact O-OG 3.26Å |
| 680 | D | 84.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | trans | -67.9 | 142.6 | 166.7 | -157.1 | -39.4 | 0 | 0 | 0 | 109.6 | N394 P399 V400 S682 V683 W1203 R1328 | N394-D680 PolarHBondContact OD1-N 2.94Å; P399-D680 CarbonylContact C-O 3.45Å; P399-D680 WeakPolarHBondContact CA-O 3.12Å; P399-D680 VanDerWaalsContact CB-O 3.26Å; P399-D680 WeakPolarHBondContact CB-O 3.45Å; V400-D680 PolarHBondContact N-O 2.77Å; D680-S682 WeakPolarHBondContact OD1-CA 3.34Å; D680-S682 WeakPolarHBondContact OD1-CB 3.31Å; D680-S682 PolarHBondContact OD1-N 2.88Å; D680-S682 PolarHBondContact OD1-OG 3.29Å; D680-V683 HydrophobicContact CB-CG1 3.83Å; D680-V683 PolarHBondContact OD1-N 3.05Å; D680-V683 WeakPolarHBondContact OD2-CB 3.3Å; D680-W1203 HydrophobicContact CB-CH2 3.71Å; D680-W1203 HydrophobicContact CB-CZ2 4.17Å; D680-W1203 VanDerWaalsContact N-CH2 3.31Å; D680-R1328 IonicContact OD1-NH1 3.2Å; D680-R1328 IonicContact OD2-CZ 2.76Å; D680-R1328 IonicContact OD2-NH1 3.75Å; D680-R1328 PolarHBondContact OD2-NH1 3.32Å | ||
| 681 | R | 86.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -137.5 | 27 | -174.4 | -54 | -175.6 | -53.6 | -74 | -0 | 109.8 | T676 V679 Q690 Q691 S1205 | T676-R681 PolarHBondContact O-NH1 3.48Å; V679-R681 HydrophobicContact CG2-CG 4.1Å; V679-R681 PolarHBondContact O-NH1 2.85Å; V679-R681 VanDerWaalsContact O-NH1 3.08Å; R681-Q690 HydrophobicContact CB-CB 4.18Å; R681-Q690 PolarHBondContact O-NE2 2.88Å; R681-Q691 VanDerWaalsContact CD-OE1 3.28Å; R681-S1205 PolarHBondContact NH1-O 2.83Å; R681-S1205 PolarHBondContact NH1-OG 2.67Å; R681-S1205 PolarHBondContact NH2-O 2.84Å |
| 682 | S | 86.8 | Confident | 90 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -158.7 | -26.6 | -168.1 | 68 | 0 | 0 | 0 | 0 | 116 | D680 G685 N1259 R1328 | D680-S682 WeakPolarHBondContact OD1-CA 3.34Å; D680-S682 WeakPolarHBondContact OD1-CB 3.31Å; D680-S682 PolarHBondContact OD1-N 2.88Å; D680-S682 PolarHBondContact OD1-OG 3.29Å; S682-G685 WeakPolarHBondContact O-CA 3.08Å; S682-G685 PolarHBondContact O-N 3.11Å; S682-N1259 VanDerWaalsContact CB-ND2 3.34Å; S682-N1259 WeakPolarHBondContact CB-ND2 3.39Å; S682-N1259 PolarHBondContact OG-ND2 3.37Å; S682-R1328 WeakPolarHBondContact OG-CD 3.34Å |
| 683 | V | 88.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 147.5 | 174.9 | 59 | 0 | 0 | 0 | 0 | 111.2 | G397 P399 D680 G685 N1058 R1328 | G397-V683 WeakPolarHBondContact O-CG2 3.08Å; P399-V683 HydrophobicContact CB-CG1 3.98Å; P399-V683 HydrophobicContact CG-CG1 4.25Å; P399-V683 WeakPolarHBondContact CG-O 3.15Å; D680-V683 HydrophobicContact CB-CG1 3.83Å; D680-V683 PolarHBondContact OD1-N 3.05Å; D680-V683 WeakPolarHBondContact OD2-CB 3.3Å; V683-G685 PolarHBondContact O-N 2.98Å; V683-N1058 HydrophobicContact CG2-CB 4.38Å; V683-R1328 VanDerWaalsContact CB-CZ 3.49Å |
| 684 | S | 92.5 | Very high | 89.2 | Confident | 22 Ų | 22 | 8 Ų | 8 | 15% | 0.154 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -21.6 | -157.8 | 80.5 | 0 | 0 | 0 | 0 | 115.1 | L686 F710 E1062 | S684-L686 PolarHBondContact O-N 3.33Å; S684-L686 VanDerWaalsContact O-N 3.16Å; S684-L686 PolarHBondContact OG-N 2.71Å; S684-F710 WeakPolarHBondContact O-CE1 3.34Å; S684-F710 WeakPolarHBondContact O-CZ 3.26Å; S684-E1062 PolarHBondContact N-OE1 3.07Å |
| 685 | G | 90.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 8.5 Ų | 8.5 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | S | Bend | trans | 63.6 | 10.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S682 V683 W1333 Q1334 | S682-G685 WeakPolarHBondContact O-CA 3.08Å; S682-G685 PolarHBondContact O-N 3.11Å; V683-G685 PolarHBondContact O-N 2.98Å; G685-W1333 WeakPolarHBondContact O-CH2 3.34Å; G685-Q1334 PolarHBondContact O-NE2 3.02Å |
| 686 | L | 96.2 | Very high | 87.6 | Confident | 21 Ų | 21 | 8.3 Ų | 8.3 | 11% | 0.11 | 5% | 0.047 | C | C | . | . | trans | -100.3 | -1.7 | -178.4 | -65.3 | 174.2 | 0 | 0 | 0 | 113.8 | I344 S684 A688 V706 A707 F710 | I344-L686 HydrophobicContact CG2-CB 3.98Å; I344-L686 HydrophobicContact CG2-CD1 4.05Å; S684-L686 PolarHBondContact O-N 3.33Å; S684-L686 VanDerWaalsContact O-N 3.16Å; S684-L686 PolarHBondContact OG-N 2.71Å; L686-A688 PolarHBondContact O-N 3.16Å; L686-V706 CarbonylContact O-C 3.57Å; L686-V706 VanDerWaalsContact O-CA 3.24Å; L686-V706 WeakPolarHBondContact O-CA 3.34Å; L686-A707 HydrophobicContact CD2-CB 4.1Å; L686-A707 PolarHBondContact O-N 3.47Å; L686-F710 HydrophobicContact CD2-CD1 3.77Å; L686-F710 HydrophobicContact CD2-CD2 4.42Å; L686-F710 HydrophobicContact CD2-CE1 3.71Å; L686-F710 HydrophobicContact CD2-CE2 4.37Å; L686-F710 HydrophobicContact CD2-CG 4.16Å; L686-F710 HydrophobicContact CD2-CZ 4.03Å; L686-F710 HydrophobicContact CG-CE1 4.03Å; L686-F710 HydrophobicContact CG-CZ 4.16Å | ||
| 687 | V | 95.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 9.5 Ų | 9.5 | 4% | 0.042 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.3 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | P399 I401 Q690 | P399-V687 HydrophobicContact CB-CG2 4.08Å; P399-V687 HydrophobicContact CG-CG2 3.66Å; I401-V687 HydrophobicContact CD1-CG1 4.47Å; I401-V687 HydrophobicContact CG2-CG1 3.88Å; I401-V687 HydrophobicContact CG2-CG2 3.99Å; V687-Q690 HydrophobicContact CG1-CB 4.18Å |
| 688 | A | 94.5 | Very high | 87.8 | Confident | 8 Ų | 8 | 9.4 Ų | 9.4 | 7% | 0.066 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -26.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L686 V705 I829 I832 W1333 | L686-A688 PolarHBondContact O-N 3.16Å; A688-V705 HydrophobicContact CB-CB 4.45Å; A688-V705 HydrophobicContact CB-CG1 4.33Å; A688-V705 PolarHBondContact N-O 2.93Å; A688-I829 HydrophobicContact CB-CB 4.04Å; A688-I832 HydrophobicContact CB-CD1 4.1Å; A688-W1333 HydrophobicContact CB-CE3 3.82Å; A688-W1333 HydrophobicContact CB-CZ3 4.3Å |
| 689 | M | 95.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 9.2 Ų | 9.2 | 7% | 0.074 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.5 | 166.6 | -165.5 | 55.3 | 61 | 0 | 0 | 111.6 | V693 A701 V703 V705 I832 T834 | M689-V693 HydrophobicContact SD-CG1 3.7Å; M689-A701 HydrophobicContact CG-CB 4.37Å; M689-A701 HydrophobicContact SD-CB 4.39Å; M689-V703 WeakPolarHBondContact CG-O 3.41Å; M689-V705 HydrophobicContact CB-CB 3.99Å; M689-V705 HydrophobicContact CB-CG2 4.09Å; M689-V705 PolarHBondContact N-O 3.36Å; M689-V705 PolarHBondContact O-N 2.65Å; M689-I832 HydrophobicContact CB-CD1 4.13Å; M689-I832 HydrophobicContact CB-CG2 4.34Å; M689-I832 HydrophobicContact CE-CB 4.01Å; M689-I832 HydrophobicContact CE-CD1 4.44Å; M689-I832 HydrophobicContact CE-CG2 3.78Å; M689-I832 HydrophobicContact CG-CG2 4.28Å; M689-T834 HydrophobicContact CE-CG2 3.65Å; M689-T834 HydrophobicContact SD-CG2 4.14Å |
| 690 | Q | 93.6 | Very high | 89 | Confident | 4 Ų | 4 | 9.3 Ų | 9.3 | 2% | 0.019 | 5% | 0.052 | C | C | . | . | trans | -131.9 | 166.6 | 178.7 | 61.7 | 172.6 | -86.8 | 0 | 0 | 109 | I401 R681 V687 C692 A701 P1336 | I401-Q690 HydrophobicContact CB-CB 4.42Å; I401-Q690 HydrophobicContact CG2-CB 4.34Å; R681-Q690 HydrophobicContact CB-CB 4.18Å; R681-Q690 PolarHBondContact O-NE2 2.88Å; V687-Q690 HydrophobicContact CG1-CB 4.18Å; Q690-C692 PolarHBondContact O-N 3.47Å; Q690-C692 VanDerWaalsContact O-N 3.1Å; Q690-A701 WeakPolarHBondContact O-CB 3.34Å; Q690-P1336 HydrophobicContact CG-CB 3.9Å | ||
| 691 | Q | 94.9 | Very high | 89.6 | Confident | 23 Ų | 23 | 10.3 Ų | 10.3 | 11% | 0.107 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -51.8 | -38.3 | -179.6 | -47.5 | 90 | -25.3 | 0 | 0 | 113.6 | V400 I401 T676 R681 V693 P699 V700 A701 | V400-Q691 PolarHBondContact O-NE2 2.83Å; I401-Q691 WeakPolarHBondContact O-CG 3.43Å; I401-Q691 PolarHBondContact O-N 2.69Å; I401-Q691 PolarHBondContact O-OE1 3.38Å; T676-Q691 HydrophobicContact CG2-CB 3.72Å; T676-Q691 HydrophobicContact CG2-CG 3.79Å; R681-Q691 VanDerWaalsContact CD-OE1 3.28Å; Q691-V693 PolarHBondContact O-N 2.76Å; Q691-P699 HydrophobicContact CB-CB 4.46Å; Q691-P699 CarbonylContact O-C 3.53Å; Q691-P699 VanDerWaalsContact O-CA 3.3Å; Q691-P699 WeakPolarHBondContact O-CA 3.32Å; Q691-V700 PolarHBondContact O-N 3.46Å; Q691-A701 WeakPolarHBondContact O-CB 3.37Å; Q691-A701 PolarHBondContact O-N 3.28Å |
| 692 | C | 89.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.4 | -167.2 | -77.6 | 0 | 0 | 0 | 0 | 113.6 | T676 Q690 H697 T698 P1336 | T676-C692 PolarHBondContact OG1-SG 3.25Å; T676-C692 VanDerWaalsContact OG1-SG 3.42Å; Q690-C692 PolarHBondContact O-N 3.47Å; Q690-C692 VanDerWaalsContact O-N 3.1Å; C692-H697 HydrophobicContact CB-CB 3.91Å; C692-H697 WeakPolarHBondContact CB-O 3.46Å; C692-H697 PolarHBondContact SG-O 3.17Å; C692-T698 WeakPolarHBondContact CA-O 3.19Å; C692-P1336 WeakPolarHBondContact O-CB 3.26Å |
| 693 | V | 88.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 159.8 | -176.5 | -74.3 | 0 | 0 | 0 | 0 | 114.2 | M689 Q691 T698 V700 A701 T834 A836 A922 | M689-V693 HydrophobicContact SD-CG1 3.7Å; Q691-V693 PolarHBondContact O-N 2.76Å; V693-T698 PolarHBondContact N-O 3.35Å; V693-T698 PolarHBondContact O-N 3.36Å; V693-V700 HydrophobicContact CG2-CG2 3.79Å; V693-A701 HydrophobicContact CG1-CB 3.78Å; V693-A701 HydrophobicContact CG2-CB 4.38Å; V693-T834 HydrophobicContact CG1-CG2 3.86Å; V693-A836 HydrophobicContact CB-CB 4.36Å; V693-A836 HydrophobicContact CG2-CB 4.4Å; V693-A922 HydrophobicContact CG2-CB 4.34Å |
| 694 | G | 81.6 | Confident | 91.2 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 179.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F696 H697 Y1337 | G694-F696 PolarHBondContact O-N 3.16Å; G694-H697 PolarHBondContact O-N 2.97Å; G694-H697 VanDerWaalsContact O-N 3.07Å; G694-Y1337 WeakPolarHBondContact O-CB 3.36Å |
| 695 | P | 73.5 | Confident | 91.5 | Very high | 11 Ų | 11 | 9.7 Ų | 9.7 | 7% | 0.071 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -13.2 | -174.8 | 21.2 | -34 | 0 | 0 | 0 | 116.3 | A922 T1035 Y1337 | P695-A922 WeakPolarHBondContact CD-O 3.24Å; P695-T1035 WeakPolarHBondContact CB-O 3.33Å; P695-Y1337 VanDerWaalsContact CA-CD1 3.4Å; P695-Y1337 HydrophobicContact CB-CD1 4.1Å; P695-Y1337 HydrophobicContact CB-CE1 3.5Å; P695-Y1337 VanDerWaalsContact CB-CE1 3.5Å; P695-Y1337 HydrophobicContact CG-CE1 4.26Å |
| 696 | F | 76.8 | Confident | 91.9 | Very high | 18 Ų | 18 | 9.6 Ų | 9.6 | 8% | 0.079 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 9.5 | -179 | -38.6 | -35 | 0 | 0 | 0 | 112.4 | R673 G694 T698 F921 N924 H1034 | R673-F696 PolarHBondContact NH1-O 3.35Å; R673-F696 PolarHBondContact NH2-O 3.5Å; G694-F696 PolarHBondContact O-N 3.16Å; F696-T698 PolarHBondContact O-N 2.97Å; F696-F921 VanDerWaalsContact CD2-O 3.31Å; F696-F921 WeakPolarHBondContact CD2-O 3.38Å; F696-N924 HydrophobicContact CE2-CB 3.48Å; F696-N924 VanDerWaalsContact CE2-CB 3.48Å; F696-N924 HydrophobicContact CZ-CB 3.41Å; F696-N924 VanDerWaalsContact CZ-CB 3.41Å; F696-H1034 HydrophobicContact CD1-CB 4.02Å; F696-H1034 AromaticContact CD1-CE1 3.69Å; F696-H1034 AromaticContact CD1-CG 3.64Å; F696-H1034 AromaticContact CD1-ND1 3.18Å; F696-H1034 WeakPolarHBondContact CD1-ND1 3.26Å; F696-H1034 AromaticContact CD2-CE1 3.75Å; F696-H1034 HydrophobicContact CE1-CB 3.53Å; F696-H1034 AromaticContact CE1-CD2 3.48Å; F696-H1034 VanDerWaalsContact CE1-CD2 3.48Å; F696-H1034 WeakPolarHBondContact CE1-CD2 3.41Å; F696-H1034 AromaticContact CE1-CE1 3.43Å; F696-H1034 VanDerWaalsContact CE1-CE1 3.43Å; F696-H1034 WeakPolarHBondContact CE1-CE1 3.42Å; F696-H1034 AromaticContact CE1-CG 3.09Å; F696-H1034 AromaticContact CE1-ND1 3.08Å; F696-H1034 WeakPolarHBondContact CE1-ND1 3.47Å; F696-H1034 AromaticContact CE1-NE2 3.67Å; F696-H1034 AromaticContact CE2-CE1 3.38Å; F696-H1034 WeakPolarHBondContact CE2-CE1 3.5Å; F696-H1034 AromaticContact CE2-ND1 3.91Å; F696-H1034 AromaticContact CE2-NE2 3.6Å; F696-H1034 AromaticContact CG-CE1 3.9Å; F696-H1034 AromaticContact CG-ND1 3.76Å; F696-H1034 HydrophobicContact CZ-CB 4.35Å; F696-H1034 AromaticContact CZ-CD2 3.39Å; F696-H1034 WeakPolarHBondContact CZ-CD2 3.5Å; F696-H1034 AromaticContact CZ-CE1 3.23Å; F696-H1034 WeakPolarHBondContact CZ-CE1 3.5Å; F696-H1034 AromaticContact CZ-CG 3.53Å; F696-H1034 AromaticContact CZ-ND1 3.44Å; F696-H1034 WeakPolarHBondContact CZ-ND1 3.27Å; F696-H1034 AromaticContact CZ-NE2 3.19Å; F696-H1034 WeakPolarHBondContact CZ-NE2 3.38Å |
| 697 | H | 80.1 | Confident | 91.9 | Very high | 31 Ų | 31 | 8.6 Ų | 8.6 | 14% | 0.144 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.8 | -176.8 | -67.9 | -70.3 | 0 | 0 | 0 | 111.2 | R673 C692 G694 P699 W1207 | R673-H697 PolarHBondContact NH1-O 2.9Å; C692-H697 HydrophobicContact CB-CB 3.91Å; C692-H697 WeakPolarHBondContact CB-O 3.46Å; C692-H697 PolarHBondContact SG-O 3.17Å; G694-H697 PolarHBondContact O-N 2.97Å; G694-H697 VanDerWaalsContact O-N 3.07Å; H697-P699 WeakPolarHBondContact O-CD 3.33Å; H697-W1207 VanDerWaalsContact CE1-CB 3.48Å; H697-W1207 WeakPolarHBondContact CE1-CB 3.46Å |
| 698 | T | 89.6 | Confident | 92 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121 | -174.8 | -53.6 | 0 | 0 | 0 | 0 | 108.8 | C692 V693 F696 V700 F921 A922 W1010 | C692-T698 WeakPolarHBondContact CA-O 3.19Å; V693-T698 PolarHBondContact N-O 3.35Å; V693-T698 PolarHBondContact O-N 3.36Å; F696-T698 PolarHBondContact O-N 2.97Å; T698-V700 VanDerWaalsContact C-N 3.32Å; T698-V700 HydrophobicContact CG2-CG1 3.93Å; T698-V700 HydrophobicContact CG2-CG2 4.04Å; T698-V700 PolarHBondContact O-N 2.86Å; T698-F921 HydrophobicContact CG2-CB 4.1Å; T698-F921 PolarHBondContact OG1-O 2.81Å; T698-A922 HydrophobicContact CG2-CB 4.27Å; T698-W1010 HydrophobicContact CG2-CH2 3.65Å; T698-W1010 HydrophobicContact CG2-CZ3 3.83Å |
| 699 | P | 93.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 8.7 Ų | 8.7 | 6% | 0.058 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 71.8 | -171.3 | 32.5 | -38.4 | 0 | 0 | 0 | 112.6 | K672 R673 T676 Q691 H697 W1010 | K672-P699 HydrophobicContact CB-CB 4.46Å; R673-P699 HydrophobicContact CB-CG 4.13Å; T676-P699 HydrophobicContact CG2-CB 3.77Å; Q691-P699 HydrophobicContact CB-CB 4.46Å; Q691-P699 CarbonylContact O-C 3.53Å; Q691-P699 VanDerWaalsContact O-CA 3.3Å; Q691-P699 WeakPolarHBondContact O-CA 3.32Å; H697-P699 WeakPolarHBondContact O-CD 3.33Å; P699-W1010 HydrophobicContact CG-CH2 4.02Å |
| 700 | V | 97 | Very high | 91.9 | Very high | 14 Ų | 14 | 9 Ų | 9 | 9% | 0.085 | 5% | 0.05 | C | C | . | . | trans | -134.4 | 3.8 | -173.3 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | Q691 V693 T698 D702 P835 H905 E918 A922 W1010 | Q691-V700 PolarHBondContact O-N 3.46Å; V693-V700 HydrophobicContact CG2-CG2 3.79Å; T698-V700 VanDerWaalsContact C-N 3.32Å; T698-V700 HydrophobicContact CG2-CG1 3.93Å; T698-V700 HydrophobicContact CG2-CG2 4.04Å; T698-V700 PolarHBondContact O-N 2.86Å; V700-D702 PolarHBondContact O-N 3.36Å; V700-P835 HydrophobicContact CG2-CB 4.05Å; V700-P835 HydrophobicContact CG2-CG 4.34Å; V700-H905 PolarHBondContact O-CE1 3.4Å; V700-E918 HydrophobicContact CB-CB 4.46Å; V700-E918 HydrophobicContact CG1-CB 3.94Å; V700-E918 HydrophobicContact CG1-CG 3.98Å; V700-A922 HydrophobicContact CG2-CB 3.9Å; V700-W1010 HydrophobicContact CG1-CH2 3.72Å; V700-W1010 HydrophobicContact CG1-CZ2 3.54Å | ||
| 701 | A | 97.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 11.5 Ų | 11.5 | 17% | 0.174 | 6% | 0.063 | C | C | . | . | trans | -67 | 126.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M689 Q690 Q691 V693 | M689-A701 HydrophobicContact CG-CB 4.37Å; M689-A701 HydrophobicContact SD-CB 4.39Å; Q690-A701 WeakPolarHBondContact O-CB 3.34Å; Q691-A701 WeakPolarHBondContact O-CB 3.37Å; Q691-A701 PolarHBondContact O-N 3.28Å; V693-A701 HydrophobicContact CG1-CB 3.78Å; V693-A701 HydrophobicContact CG2-CB 4.38Å | ||
| 702 | D | 98.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 12.4 Ų | 12.4 | 6% | 0.064 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -70 | -34.4 | -172.4 | -36.3 | -115.1 | 0 | 0 | 0 | 112.8 | V700 N745 F748 P835 H905 D906 | V700-D702 PolarHBondContact O-N 3.36Å; D702-N745 HydrophobicContact CB-CB 4.13Å; D702-N745 WeakPolarHBondContact O-CB 3.3Å; D702-F748 HydrophobicContact CB-CD2 3.86Å; D702-F748 HydrophobicContact CB-CE2 4.3Å; D702-P835 VanDerWaalsContact OD2-CD 3.29Å; D702-P835 WeakPolarHBondContact OD2-CD 3.16Å; D702-P835 WeakPolarHBondContact OD2-CG 3.38Å; D702-H905 IonicContact OD1-CE1 2.8Å; D702-H905 IonicContact OD1-CG 2.75Å; D702-H905 IonicContact OD1-ND1 3.92Å; D702-H905 PolarHBondContact OD1-ND1 3.37Å; D702-H905 IonicContact OD2-ND1 3.71Å; D702-D906 WeakPolarHBondContact OD1-CB 3.35Å; D702-D906 PolarHBondContact OD1-N 2.84Å |
| 703 | V | 98.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | trans | -127.7 | 133.9 | -170.1 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | M689 V705 A717 L746 F748 A749 I832 | M689-V703 WeakPolarHBondContact CG-O 3.41Å; V703-V705 HydrophobicContact CG1-CG2 4.4Å; V703-V705 HydrophobicContact CG2-CG2 4.13Å; V703-A717 HydrophobicContact CG2-CB 4.24Å; V703-L746 HydrophobicContact CG2-CD1 4.07Å; V703-F748 HydrophobicContact CG1-CB 4.19Å; V703-A749 HydrophobicContact CG1-CB 4.2Å; V703-A749 HydrophobicContact CG2-CB 3.98Å; V703-I832 HydrophobicContact CG1-CG2 4.16Å | ||
| 704 | A | 98.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I401 C402 A717 M718 | I401-A704 HydrophobicContact CB-CB 4.46Å; I401-A704 HydrophobicContact CD1-CB 3.73Å; I401-A704 HydrophobicContact CG1-CB 3.7Å; C402-A704 HydrophobicContact CB-CB 3.82Å; A704-A717 CarbonylContact O-C 3.59Å; A704-A717 WeakPolarHBondContact O-CA 3.35Å; A704-M718 HydrophobicContact CB-CE 4.27Å; A704-M718 PolarHBondContact N-O 3.02Å; A704-M718 PolarHBondContact O-N 3.12Å |
| 705 | V | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 134.7 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | A688 M689 V703 A716 A717 A749 C826 I829 I832 | A688-V705 HydrophobicContact CB-CB 4.45Å; A688-V705 HydrophobicContact CB-CG1 4.33Å; A688-V705 PolarHBondContact N-O 2.93Å; M689-V705 HydrophobicContact CB-CB 3.99Å; M689-V705 HydrophobicContact CB-CG2 4.09Å; M689-V705 PolarHBondContact N-O 3.36Å; M689-V705 PolarHBondContact O-N 2.65Å; V703-V705 HydrophobicContact CG1-CG2 4.4Å; V703-V705 HydrophobicContact CG2-CG2 4.13Å; V705-A716 WeakPolarHBondContact CA-O 3.43Å; V705-A717 HydrophobicContact CG2-CB 4.15Å; V705-A749 HydrophobicContact CG2-CB 3.85Å; V705-C826 HydrophobicContact CG1-CB 4.11Å; V705-I829 HydrophobicContact CG1-CG2 4.05Å; V705-I832 HydrophobicContact CB-CD1 3.64Å; V705-I832 HydrophobicContact CG1-CD1 3.75Å; V705-I832 HydrophobicContact CG2-CD1 3.75Å; V705-I832 HydrophobicContact CG2-CG1 4.2Å; V705-I832 HydrophobicContact CG2-CG2 4.28Å |
| 706 | V | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.1 | 172.2 | -58 | 0 | 0 | 0 | 0 | 110.5 | I344 A345 I401 L431 L686 G715 A716 | I344-V706 HydrophobicContact CD1-CG2 4.46Å; I344-V706 HydrophobicContact CG2-CB 3.83Å; I344-V706 HydrophobicContact CG2-CG1 3.94Å; I344-V706 HydrophobicContact CG2-CG2 3.92Å; A345-V706 HydrophobicContact CB-CG1 3.7Å; I401-V706 HydrophobicContact CD1-CG1 3.67Å; L431-V706 HydrophobicContact CD2-CG1 4.35Å; L431-V706 HydrophobicContact CD2-CG2 3.7Å; L431-V706 HydrophobicContact CG-CG2 4.33Å; L686-V706 CarbonylContact O-C 3.57Å; L686-V706 VanDerWaalsContact O-CA 3.24Å; L686-V706 WeakPolarHBondContact O-CA 3.34Å; V706-G715 CarbonylContact O-C 3.38Å; V706-G715 WeakPolarHBondContact O-CA 3.36Å; V706-A716 HydrophobicContact CG2-CB 4.05Å; V706-A716 PolarHBondContact N-O 2.88Å; V706-A716 PolarHBondContact O-N 2.68Å |
| 707 | A | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 149.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L686 S709 I829 W1333 | L686-A707 HydrophobicContact CD2-CB 4.1Å; L686-A707 PolarHBondContact O-N 3.47Å; A707-S709 VanDerWaalsContact C-N 3.34Å; A707-S709 WeakPolarHBondContact CB-O 3.44Å; A707-I829 HydrophobicContact CB-CD1 3.61Å; A707-W1333 HydrophobicContact CB-CH2 3.66Å; A707-W1333 HydrophobicContact CB-CZ2 4.13Å; A707-W1333 HydrophobicContact CB-CZ3 3.95Å |
| 708 | L | 97.1 | Very high | 96.1 | Very high | 13 Ų | 13 | 13.4 Ų | 13.4 | 7% | 0.068 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -88.2 | -8.7 | 168.8 | -64.1 | -179.7 | 0 | 0 | 0 | 112.5 | F279 I281 T302 I304 I344 V714 | F279-L708 HydrophobicContact CD2-CD1 3.99Å; I281-L708 HydrophobicContact CD1-CB 4.14Å; I281-L708 WeakPolarHBondContact CD1-O 3.33Å; I281-L708 HydrophobicContact CG2-CB 4.27Å; T302-L708 HydrophobicContact CG2-CD1 4.41Å; T302-L708 HydrophobicContact CG2-CD2 4.48Å; I304-L708 HydrophobicContact CD1-CD1 4.5Å; I304-L708 HydrophobicContact CG1-CD1 4.03Å; I304-L708 HydrophobicContact CG1-CD2 4.36Å; I344-L708 HydrophobicContact CD1-CD2 4.11Å; L708-V714 PolarHBondContact N-O 2.81Å |
| 709 | S | 95.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | trans | -150.7 | 156.8 | -170.5 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | D282 A707 L711 D712 | D282-S709 PolarHBondContact O-OG 2.85Å; A707-S709 VanDerWaalsContact C-N 3.34Å; A707-S709 WeakPolarHBondContact CB-O 3.44Å; S709-L711 PolarHBondContact OG-N 2.75Å; S709-D712 WeakPolarHBondContact CB-OD2 2.92Å; S709-D712 PolarHBondContact OG-N 2.88Å; S709-D712 PolarHBondContact OG-OD2 2.6Å | ||
| 710 | F | 92 | Very high | 96.8 | Very high | 21 Ų | 21 | 13.5 Ų | 13.5 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -86.8 | -10.7 | 167.9 | -56.5 | -76.7 | 0 | 0 | 0 | 112.8 | S684 L686 E1062 A1065 F1330 | S684-F710 WeakPolarHBondContact O-CE1 3.34Å; S684-F710 WeakPolarHBondContact O-CZ 3.26Å; L686-F710 HydrophobicContact CD2-CD1 3.77Å; L686-F710 HydrophobicContact CD2-CD2 4.42Å; L686-F710 HydrophobicContact CD2-CE1 3.71Å; L686-F710 HydrophobicContact CD2-CE2 4.37Å; L686-F710 HydrophobicContact CD2-CG 4.16Å; L686-F710 HydrophobicContact CD2-CZ 4.03Å; L686-F710 HydrophobicContact CG-CE1 4.03Å; L686-F710 HydrophobicContact CG-CZ 4.16Å; F710-E1062 HydrophobicContact CE1-CB 4.03Å; F710-E1062 HydrophobicContact CZ-CB 4.23Å; F710-A1065 HydrophobicContact CB-CB 3.75Å; F710-A1065 HydrophobicContact CD1-CB 3.71Å; F710-A1065 HydrophobicContact CD2-CB 3.5Å; F710-A1065 VanDerWaalsContact CD2-CB 3.5Å; F710-A1065 HydrophobicContact CE1-CB 4.09Å; F710-A1065 HydrophobicContact CE2-CB 3.91Å; F710-A1065 HydrophobicContact CG-CB 3.37Å; F710-A1065 HydrophobicContact CZ-CB 4.17Å; F710-F1330 HydrophobicContact CB-CZ 4.45Å; F710-F1330 AromaticContact CD1-CZ 3.94Å; F710-F1330 HydrophobicContact CD1-CZ 3.94Å |
| 711 | L | 90.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 12.9 Ų | 12.9 | 30% | 0.298 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -113.2 | -14 | -170.2 | -54 | -177.4 | 0 | 0 | 0 | 112.9 | D282 S709 Y1068 L1069 | D282-L711 HydrophobicContact CB-CB 4.27Å; D282-L711 HydrophobicContact CB-CD1 4.17Å; S709-L711 PolarHBondContact OG-N 2.75Å; L711-Y1068 HydrophobicContact CD1-CE1 4.13Å; L711-L1069 HydrophobicContact CD2-CD2 3.65Å; L711-L1069 HydrophobicContact CD2-CG 4.09Å |
| 712 | D | 92.6 | Very high | 96.9 | Very high | 42 Ų | 42 | 12.2 Ų | 12.2 | 23% | 0.225 | 7% | 0.066 | C | C | . | . | trans | -119.3 | 151.3 | -178.8 | -50.2 | -93.2 | 0 | 0 | 0 | 111.4 | I281 D282 S709 V714 | I281-D712 WeakPolarHBondContact CB-OD2 3.35Å; D282-D712 PolarHBondContact N-OD2 3.48Å; S709-D712 WeakPolarHBondContact CB-OD2 2.92Å; S709-D712 PolarHBondContact OG-N 2.88Å; S709-D712 PolarHBondContact OG-OD2 2.6Å; D712-V714 VanDerWaalsContact C-N 3.3Å; D712-V714 HydrophobicContact CB-CG2 3.98Å; D712-V714 PolarHBondContact O-N 2.93Å | ||
| 713 | N | 92.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 11.8 Ų | 11.8 | 29% | 0.294 | 6% | 0.064 | S | C | . | . | S | Bend | trans | -88.9 | 16 | 176.6 | -68 | -6.3 | 0 | 0 | 0 | 113.7 | D828 I829 T830 | N713-D828 WeakPolarHBondContact O-CA 3.42Å; N713-I829 HydrophobicContact CB-CG1 4.36Å; N713-I829 WeakPolarHBondContact O-CG1 3.38Å; N713-I829 PolarHBondContact O-N 2.92Å; N713-T830 HydrophobicContact CB-CG2 4.43Å |
| 714 | V | 97.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 11.7 Ų | 11.7 | 16% | 0.164 | 6% | 0.063 | C | C | . | . | trans | -100.8 | 148.9 | -178.7 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | F279 I281 L708 D712 | F279-V714 HydrophobicContact CB-CB 4.44Å; F279-V714 HydrophobicContact CB-CG2 3.79Å; F279-V714 HydrophobicContact CD1-CB 4.13Å; F279-V714 HydrophobicContact CD1-CG1 3.97Å; F279-V714 HydrophobicContact CD1-CG2 4.35Å; F279-V714 HydrophobicContact CD2-CB 3.79Å; F279-V714 HydrophobicContact CD2-CG1 4.5Å; F279-V714 HydrophobicContact CD2-CG2 3.93Å; F279-V714 HydrophobicContact CE1-CB 4.29Å; F279-V714 HydrophobicContact CE1-CG1 4.01Å; F279-V714 HydrophobicContact CE2-CB 3.95Å; F279-V714 HydrophobicContact CG-CB 3.87Å; F279-V714 HydrophobicContact CG-CG1 4.21Å; F279-V714 HydrophobicContact CG-CG2 3.78Å; F279-V714 HydrophobicContact CZ-CB 4.19Å; F279-V714 HydrophobicContact CZ-CG1 4.28Å; I281-V714 HydrophobicContact CG2-CG2 3.71Å; L708-V714 PolarHBondContact N-O 2.81Å; D712-V714 VanDerWaalsContact C-N 3.3Å; D712-V714 HydrophobicContact CB-CG2 3.98Å; D712-V714 PolarHBondContact O-N 2.93Å | ||
| 715 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -167.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V706 C826 | V706-G715 CarbonylContact O-C 3.38Å; V706-G715 WeakPolarHBondContact O-CA 3.36Å; G715-C826 PolarHBondContact N-O 2.76Å; G715-C826 PolarHBondContact O-N 2.76Å |
| 716 | A | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I304 L431 V705 V706 V824 | I304-A716 HydrophobicContact CB-CB 4.39Å; I304-A716 HydrophobicContact CD1-CB 3.79Å; I304-A716 HydrophobicContact CG1-CB 4Å; I304-A716 HydrophobicContact CG2-CB 3.49Å; I304-A716 VanDerWaalsContact CG2-CB 3.49Å; L431-A716 HydrophobicContact CD1-CB 4.16Å; L431-A716 HydrophobicContact CD2-CB 4.1Å; L431-A716 HydrophobicContact CG-CB 4.36Å; V705-A716 WeakPolarHBondContact CA-O 3.43Å; V706-A716 HydrophobicContact CG2-CB 4.05Å; V706-A716 PolarHBondContact N-O 2.88Å; V706-A716 PolarHBondContact O-N 2.68Å; A716-V824 WeakPolarHBondContact CA-O 3.17Å |
| 717 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 144.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V703 A704 V705 L746 A749 Y823 V824 C826 | V703-A717 HydrophobicContact CG2-CB 4.24Å; A704-A717 CarbonylContact O-C 3.59Å; A704-A717 WeakPolarHBondContact O-CA 3.35Å; V705-A717 HydrophobicContact CG2-CB 4.15Å; A717-L746 HydrophobicContact CB-CD1 3.96Å; A717-A749 HydrophobicContact CB-CB 3.72Å; A717-Y823 VanDerWaalsContact O-CA 3.3Å; A717-Y823 WeakPolarHBondContact O-CA 3.45Å; A717-V824 HydrophobicContact CB-CG1 4.31Å; A717-V824 PolarHBondContact N-O 3.24Å; A717-V824 PolarHBondContact O-N 3.18Å; A717-V824 VanDerWaalsContact O-N 3.07Å; A717-C826 HydrophobicContact CB-CB 4.17Å |
| 718 | M | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 136.3 | 179.4 | 178.3 | -178.6 | 65 | 0 | 0 | 110.9 | L306 A347 C402 A429 L431 A704 T821 S822 | L306-M718 HydrophobicContact CD1-CG 4.47Å; L306-M718 HydrophobicContact CD1-SD 3.64Å; A347-M718 HydrophobicContact CB-CE 3.99Å; C402-M718 HydrophobicContact CB-CE 4.02Å; A429-M718 HydrophobicContact CB-SD 4.44Å; L431-M718 HydrophobicContact CB-CE 4.33Å; L431-M718 HydrophobicContact CB-SD 4.14Å; L431-M718 HydrophobicContact CD1-CB 4.47Å; L431-M718 HydrophobicContact CD2-CB 4.03Å; A704-M718 HydrophobicContact CB-CE 4.27Å; A704-M718 PolarHBondContact N-O 3.02Å; A704-M718 PolarHBondContact O-N 3.12Å; M718-T821 HydrophobicContact CG-CG2 3.64Å; M718-T821 HydrophobicContact SD-CG2 3.74Å; M718-S822 VanDerWaalsContact CA-O 3.27Å; M718-S822 WeakPolarHBondContact CA-O 3.35Å |
| 719 | A | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 163.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N745 L746 T821 S822 | A719-N745 HydrophobicContact CB-CB 3.78Å; A719-L746 HydrophobicContact CB-CB 3.93Å; A719-L746 HydrophobicContact CB-CD1 4.1Å; A719-T821 CarbonylContact O-C 3.44Å; A719-T821 WeakPolarHBondContact O-CA 3.46Å; A719-S822 PolarHBondContact N-O 2.99Å; A719-S822 VanDerWaalsContact N-O 3.09Å; A719-S822 PolarHBondContact O-N 2.92Å; A719-S822 PolarHBondContact O-OG 3.1Å |
| 720 | I | 98.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 15.5 Ų | 15.5 | 6% | 0.056 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.9 | -177.4 | -62.7 | 178.1 | 0 | 0 | 0 | 110.1 | A347 F404 F427 N745 V819 V820 T821 | A347-I720 HydrophobicContact CB-CD1 3.71Å; F404-I720 HydrophobicContact CD1-CG2 4.05Å; F427-I720 HydrophobicContact CE1-CD1 4.03Å; I720-N745 PolarHBondContact O-ND2 2.8Å; I720-V819 HydrophobicContact CG2-CG1 3.81Å; I720-V820 CarbonylContact C-O 3.53Å; I720-V820 WeakPolarHBondContact CA-O 3.38Å; I720-T821 HydrophobicContact CG1-CG2 4.1Å |
| 721 | G | 98.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T738 E741 V820 | G721-T738 WeakPolarHBondContact O-CG2 3.49Å; G721-E741 WeakPolarHBondContact CA-OE2 3.18Å; G721-V820 PolarHBondContact N-O 3.33Å; G721-V820 PolarHBondContact O-N 2.97Å |
| 722 | E | 98.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 3% | 0.033 | 8% | 0.083 | C | C | . | . | trans | -158.7 | 116.7 | 175.4 | 58.4 | 90.5 | -154.2 | 0 | 0 | 111.6 | F404 R406 P724 E741 V819 | F404-E722 HydrophobicContact CB-CG 4.38Å; F404-E722 HydrophobicContact CD1-CG 4.24Å; F404-E722 HydrophobicContact CD2-CG 3.79Å; F404-E722 HydrophobicContact CE1-CG 4.48Å; F404-E722 HydrophobicContact CE2-CG 4.08Å; F404-E722 HydrophobicContact CG-CG 3.89Å; F404-E722 HydrophobicContact CZ-CG 4.42Å; R406-E722 IonicContact CZ-OE1 3.49Å; R406-E722 IonicContact CZ-OE2 3.61Å; R406-E722 VanDerWaalsContact NE-CD 3.25Å; R406-E722 IonicContact NE-OE1 3.99Å; R406-E722 PolarHBondContact NE-OE1 2.8Å; R406-E722 IonicContact NE-OE2 3.01Å; R406-E722 PolarHBondContact NE-OE2 3.47Å; R406-E722 PolarHBondContact NH2-O 3.49Å; R406-E722 IonicContact NH2-OE1 3.9Å; R406-E722 PolarHBondContact NH2-OE1 3.24Å; R406-E722 IonicContact NH2-OE2 2.76Å; E722-P724 WeakPolarHBondContact O-CD 3.3Å; E722-P724 WeakPolarHBondContact OE2-CD 3.33Å; E722-P724 WeakPolarHBondContact OE2-CG 3.32Å; E722-E741 PolarHBondContact N-OE2 3.49Å; E722-V819 HydrophobicContact CB-CG2 3.97Å | ||
| 723 | Q | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | trans | -123.3 | 55 | -174.7 | -66 | -65.4 | -38.9 | 0 | 0 | 114.3 | V725 K726 M727 M737 T738 E741 | Q723-V725 PolarHBondContact O-N 2.84Å; Q723-K726 HydrophobicContact CB-CB 4.45Å; Q723-K726 HydrophobicContact CB-CD 4.37Å; Q723-K726 PolarHBondContact O-N 3.28Å; Q723-M727 PolarHBondContact O-N 2.93Å; Q723-M737 HydrophobicContact CB-CB 4.26Å; Q723-M737 HydrophobicContact CG-CB 4.03Å; Q723-T738 WeakPolarHBondContact CB-OG1 3.34Å; Q723-T738 PolarHBondContact N-OG1 2.91Å; Q723-T738 VanDerWaalsContact N-OG1 3.09Å; Q723-E741 WeakPolarHBondContact CG-OE2 3.44Å; Q723-E741 PolarHBondContact NE2-OE1 3.37Å; Q723-E741 PolarHBondContact NE2-OE2 3.24Å | ||
| 724 | P | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.6 | -31.4 | -171.7 | 28.1 | -36.1 | 0 | 0 | 0 | 114.5 | Y421 E722 K726 M727 L728 P815 T817 | Y421-P724 VanDerWaalsContact OH-CB 3.3Å; Y421-P724 WeakPolarHBondContact OH-CB 3.46Å; Y421-P724 VanDerWaalsContact OH-CG 3.27Å; Y421-P724 WeakPolarHBondContact OH-CG 3.46Å; E722-P724 WeakPolarHBondContact O-CD 3.3Å; E722-P724 WeakPolarHBondContact OE2-CD 3.33Å; E722-P724 WeakPolarHBondContact OE2-CG 3.32Å; P724-K726 VanDerWaalsContact C-N 3.26Å; P724-K726 PolarHBondContact O-N 2.81Å; P724-M727 WeakPolarHBondContact O-CB 3.46Å; P724-M727 PolarHBondContact O-N 3.49Å; P724-M727 VanDerWaalsContact O-N 3.07Å; P724-L728 PolarHBondContact O-N 2.87Å; P724-L728 VanDerWaalsContact O-N 3.07Å; P724-P815 HydrophobicContact CB-CB 4.06Å; P724-T817 HydrophobicContact CB-CG2 4.06Å; P724-T817 WeakPolarHBondContact CB-OG1 3.47Å; P724-T817 HydrophobicContact CG-CG2 4.23Å |
| 725 | V | 95.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 177.3 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | F408 Q723 L870 | F408-V725 HydrophobicContact CD2-CG1 4.38Å; F408-V725 HydrophobicContact CD2-CG2 3.83Å; F408-V725 HydrophobicContact CE2-CG1 3.88Å; F408-V725 HydrophobicContact CE2-CG2 4.19Å; Q723-V725 PolarHBondContact O-N 2.84Å; V725-L870 HydrophobicContact CG1-CD2 3.9Å |
| 726 | K | 94.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -72.3 | -31.3 | 172.2 | -62 | 177.8 | -176.6 | 59.7 | 0 | 111.4 | Q723 P724 L729 N730 M737 G860 P874 E946 | Q723-K726 HydrophobicContact CB-CB 4.45Å; Q723-K726 HydrophobicContact CB-CD 4.37Å; Q723-K726 PolarHBondContact O-N 3.28Å; P724-K726 VanDerWaalsContact C-N 3.26Å; P724-K726 PolarHBondContact O-N 2.81Å; K726-L729 PolarHBondContact O-N 2.94Å; K726-N730 CarbonylContact O-C 3.53Å; K726-N730 PolarHBondContact O-N 3.25Å; K726-N730 VanDerWaalsContact O-O 3.1Å; K726-M737 HydrophobicContact CD-CB 4.43Å; K726-M737 HydrophobicContact CD-CG 4.37Å; K726-G860 WeakPolarHBondContact CG-O 3.46Å; K726-G860 PolarHBondContact NZ-O 2.91Å; K726-G860 VanDerWaalsContact NZ-O 3.12Å; K726-P874 HydrophobicContact CB-CB 4.19Å; K726-P874 HydrophobicContact CG-CB 4.17Å; K726-E946 IonicContact NZ-OE2 3.74Å; K726-E946 PolarHBondContact NZ-OE2 3.48Å |
| 727 | M | 93.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.1 | -28.2 | 173.9 | -64.5 | 177.6 | -156.5 | 0 | 0 | 114.2 | Q723 P724 L729 T738 W765 L818 | Q723-M727 PolarHBondContact O-N 2.93Å; P724-M727 WeakPolarHBondContact O-CB 3.46Å; P724-M727 PolarHBondContact O-N 3.49Å; P724-M727 VanDerWaalsContact O-N 3.07Å; M727-L729 PolarHBondContact O-N 3.03Å; M727-T738 WeakPolarHBondContact CE-OG1 3.21Å; M727-W765 HydrophobicContact CB-CH2 4.4Å; M727-W765 HydrophobicContact SD-CH2 4.11Å; M727-W765 HydrophobicContact SD-CZ3 3.95Å; M727-L818 HydrophobicContact CE-CB 3.7Å; M727-L818 HydrophobicContact SD-CB 4.28Å |
| 728 | L | 91.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 12.3 Ų | 12.3 | 7% | 0.073 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 170.7 | -71 | 175.4 | 0 | 0 | 0 | 112 | F408 F419 P724 P815 L870 | F408-L728 HydrophobicContact CE1-CD1 3.85Å; F408-L728 HydrophobicContact CE2-CD1 4.24Å; F408-L728 HydrophobicContact CZ-CD1 3.67Å; F419-L728 HydrophobicContact CB-CD2 4.45Å; F419-L728 HydrophobicContact CD1-CD2 3.58Å; F419-L728 HydrophobicContact CE1-CD2 3.92Å; F419-L728 HydrophobicContact CG-CD2 4.02Å; P724-L728 PolarHBondContact O-N 2.87Å; P724-L728 VanDerWaalsContact O-N 3.07Å; L728-P815 HydrophobicContact CD1-CB 4.25Å; L728-P815 HydrophobicContact CD1-CG 4.17Å; L728-P815 HydrophobicContact CD2-CB 3.96Å; L728-P815 HydrophobicContact CD2-CG 4.37Å; L728-P815 HydrophobicContact CG-CB 4.02Å; L728-P815 HydrophobicContact CG-CG 4.46Å; L728-L870 HydrophobicContact CB-CD1 4.45Å |
| 729 | L | 89.3 | Confident | 96.4 | Very high | 26 Ų | 26 | 12.3 Ų | 12.3 | 14% | 0.136 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -82.2 | -55.3 | 177.7 | -73.4 | -178.9 | 0 | 0 | 0 | 112.5 | L645 K726 M727 G860 L870 F871 P874 | L645-L729 HydrophobicContact CD1-CD2 3.43Å; L645-L729 VanDerWaalsContact CD1-CD2 3.43Å; L645-L729 HydrophobicContact CD2-CD2 4.04Å; L645-L729 HydrophobicContact CG-CD2 4.38Å; K726-L729 PolarHBondContact O-N 2.94Å; M727-L729 PolarHBondContact O-N 3.03Å; L729-G860 VanDerWaalsContact CD1-N 3.29Å; L729-L870 HydrophobicContact CD1-CB 4.18Å; L729-L870 HydrophobicContact CD2-CB 3.65Å; L729-L870 HydrophobicContact CD2-CD1 3.93Å; L729-L870 HydrophobicContact CD2-CG 4.43Å; L729-L870 HydrophobicContact CG-CB 4.03Å; L729-L870 HydrophobicContact CG-CD1 4.37Å; L729-F871 WeakPolarHBondContact CD1-O 3.36Å; L729-F871 WeakPolarHBondContact CD2-O 3.46Å; L729-P874 HydrophobicContact CB-CG 4.28Å; L729-P874 HydrophobicContact CD1-CB 4.25Å; L729-P874 HydrophobicContact CD1-CG 4.46Å |
| 730 | N | 92.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 12.3 Ų | 12.3 | 28% | 0.278 | 6% | 0.062 | S | C | . | . | trans | -143.5 | 103.8 | -178.3 | -172.5 | -47.7 | 0 | 0 | 0 | 108.9 | K726 E732 S733 G734 P874 | K726-N730 CarbonylContact O-C 3.53Å; K726-N730 PolarHBondContact O-N 3.25Å; K726-N730 VanDerWaalsContact O-O 3.1Å; N730-E732 PolarHBondContact O-N 2.94Å; N730-E732 WeakPolarHBondContact OD1-CA 3.44Å; N730-E732 WeakPolarHBondContact OD1-CB 3.38Å; N730-E732 PolarHBondContact OD1-N 2.88Å; N730-S733 VanDerWaalsContact CG-OG 3.28Å; N730-S733 PolarHBondContact O-N 3.16Å; N730-S733 PolarHBondContact OD1-N 3.13Å; N730-S733 PolarHBondContact OD1-OG 3.49Å; N730-G734 PolarHBondContact O-N 3.01Å; N730-P874 HydrophobicContact CB-CG 3.99Å | ||
| 731 | P | 94.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 12.7 Ų | 12.7 | 12% | 0.117 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.8 | -33 | -179.7 | -24.2 | 31.7 | 0 | 0 | 0 | 113.4 | A735 W765 K775 A779 | P731-A735 WeakPolarHBondContact O-CB 3.14Å; P731-A735 PolarHBondContact O-N 3.45Å; P731-W765 HydrophobicContact CB-CH2 4.38Å; P731-K775 HydrophobicContact CB-CB 4.25Å; P731-K775 WeakPolarHBondContact CB-O 3.42Å; P731-K775 HydrophobicContact CG-CB 3.68Å; P731-K775 HydrophobicContact CG-CD 4.25Å; P731-K775 HydrophobicContact CG-CG 3.74Å; P731-A779 HydrophobicContact CB-CB 3.97Å |
| 732 | E | 96.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 12.6 Ų | 12.6 | 29% | 0.294 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -74.5 | -46.5 | -178.2 | -53.2 | -171.6 | 123.6 | 0 | 0 | 111.9 | N730 A735 R736 A782 | N730-E732 PolarHBondContact O-N 2.94Å; N730-E732 WeakPolarHBondContact OD1-CA 3.44Å; N730-E732 WeakPolarHBondContact OD1-CB 3.38Å; N730-E732 PolarHBondContact OD1-N 2.88Å; E732-A735 PolarHBondContact O-N 3.37Å; E732-R736 WeakPolarHBondContact O-CG 3.45Å; E732-R736 PolarHBondContact O-N 2.94Å; E732-A782 HydrophobicContact CB-CB 3.64Å; E732-A782 HydrophobicContact CG-CB 4.08Å |
| 733 | S | 96 | Very high | 96.4 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 5% | 0.049 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | N730 A735 R736 M737 D876 | N730-S733 VanDerWaalsContact CG-OG 3.28Å; N730-S733 PolarHBondContact O-N 3.16Å; N730-S733 PolarHBondContact OD1-N 3.13Å; N730-S733 PolarHBondContact OD1-OG 3.49Å; S733-A735 PolarHBondContact O-N 3.44Å; S733-R736 PolarHBondContact O-N 2.87Å; S733-R736 PolarHBondContact OG-NH2 3.05Å; S733-M737 WeakPolarHBondContact O-CB 3.39Å; S733-M737 WeakPolarHBondContact O-CG 3Å; S733-M737 PolarHBondContact O-N 2.94Å; S733-D876 VanDerWaalsContact CB-CG 3.49Å; S733-D876 VanDerWaalsContact CB-OD2 3.28Å; S733-D876 WeakPolarHBondContact CB-OD2 3.47Å; S733-D876 PolarHBondContact OG-OD2 2.97Å |
| 734 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N730 M737 T738 | N730-G734 PolarHBondContact O-N 3.01Å; G734-M737 PolarHBondContact O-N 3.03Å; G734-T738 WeakPolarHBondContact O-CB 3.42Å; G734-T738 PolarHBondContact O-N 2.84Å; G734-T738 PolarHBondContact O-OG1 2.81Å |
| 735 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P731 E732 S733 V739 A779 A782 M783 | P731-A735 WeakPolarHBondContact O-CB 3.14Å; P731-A735 PolarHBondContact O-N 3.45Å; E732-A735 PolarHBondContact O-N 3.37Å; S733-A735 PolarHBondContact O-N 3.44Å; A735-V739 PolarHBondContact O-N 3.12Å; A735-A779 HydrophobicContact CB-CB 4.09Å; A735-A779 VanDerWaalsContact CB-O 3.31Å; A735-A779 WeakPolarHBondContact CB-O 3.45Å; A735-A782 HydrophobicContact CB-CB 4.42Å; A735-M783 HydrophobicContact CB-CB 4.38Å |
| 736 | R | 98.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 12.9 Ų | 12.9 | 16% | 0.162 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 174.9 | -75.1 | -171.9 | -69.8 | -92 | -1.3 | 112.7 | E732 S733 V739 A740 A782 I786 D876 L877 | E732-R736 WeakPolarHBondContact O-CG 3.45Å; E732-R736 PolarHBondContact O-N 2.94Å; S733-R736 PolarHBondContact O-N 2.87Å; S733-R736 PolarHBondContact OG-NH2 3.05Å; R736-V739 PolarHBondContact O-N 3.49Å; R736-A740 PolarHBondContact O-N 3.3Å; R736-A782 HydrophobicContact CG-CB 4.47Å; R736-I786 HydrophobicContact CG-CB 3.95Å; R736-I786 HydrophobicContact CG-CG1 4.2Å; R736-I786 HydrophobicContact CG-CG2 4.05Å; R736-D876 IonicContact CZ-OD1 3.66Å; R736-D876 IonicContact CZ-OD2 2.81Å; R736-D876 IonicContact NE-OD1 3.66Å; R736-D876 PolarHBondContact NE-OD1 3.35Å; R736-D876 IonicContact NE-OD2 3.59Å; R736-D876 PolarHBondContact NE-OD2 3.43Å; R736-D876 IonicContact NH2-OD1 2.76Å; R736-D876 IonicContact NH2-OD2 3.21Å; R736-D876 PolarHBondContact NH2-OD2 3.07Å; R736-L877 HydrophobicContact CB-CB 4.37Å |
| 737 | M | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 12.9 Ų | 12.9 | 3% | 0.03 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.7 | -75.5 | -62.4 | -56.9 | 0 | 0 | 112.7 | Q723 K726 S733 G734 V739 A740 E741 A875 E946 A948 | Q723-M737 HydrophobicContact CB-CB 4.26Å; Q723-M737 HydrophobicContact CG-CB 4.03Å; K726-M737 HydrophobicContact CD-CB 4.43Å; K726-M737 HydrophobicContact CD-CG 4.37Å; S733-M737 WeakPolarHBondContact O-CB 3.39Å; S733-M737 WeakPolarHBondContact O-CG 3Å; S733-M737 PolarHBondContact O-N 2.94Å; G734-M737 PolarHBondContact O-N 3.03Å; M737-V739 VanDerWaalsContact C-N 3.32Å; M737-V739 PolarHBondContact O-N 3.4Å; M737-A740 WeakPolarHBondContact O-CB 3.33Å; M737-A740 PolarHBondContact O-N 3.2Å; M737-A740 VanDerWaalsContact O-N 3.13Å; M737-E741 WeakPolarHBondContact O-CB 3.33Å; M737-E741 PolarHBondContact O-N 2.91Å; M737-A875 HydrophobicContact CE-CB 4.02Å; M737-A875 HydrophobicContact CG-CB 4.43Å; M737-A875 WeakPolarHBondContact CG-O 3.49Å; M737-A875 HydrophobicContact SD-CB 4.07Å; M737-E946 WeakPolarHBondContact CE-O 3.43Å; M737-A948 HydrophobicContact CE-CB 3.93Å; M737-A948 HydrophobicContact SD-CB 4.31Å |
| 738 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 173.4 | -61 | 0 | 0 | 0 | 0 | 111.7 | G721 Q723 M727 G734 S742 L818 V820 | G721-T738 WeakPolarHBondContact O-CG2 3.49Å; Q723-T738 WeakPolarHBondContact CB-OG1 3.34Å; Q723-T738 PolarHBondContact N-OG1 2.91Å; Q723-T738 VanDerWaalsContact N-OG1 3.09Å; M727-T738 WeakPolarHBondContact CE-OG1 3.21Å; G734-T738 WeakPolarHBondContact O-CB 3.42Å; G734-T738 PolarHBondContact O-N 2.84Å; G734-T738 PolarHBondContact O-OG1 2.81Å; T738-S742 PolarHBondContact O-N 3.09Å; T738-L818 HydrophobicContact CG2-CB 4.46Å; T738-L818 HydrophobicContact CG2-CD2 3.98Å; T738-L818 HydrophobicContact CG2-CG 3.93Å; T738-V820 HydrophobicContact CG2-CB 4.1Å; T738-V820 HydrophobicContact CG2-CG2 3.83Å |
| 739 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | A735 R736 M737 S742 L743 M783 I786 M787 L790 I792 V820 | A735-V739 PolarHBondContact O-N 3.12Å; R736-V739 PolarHBondContact O-N 3.49Å; M737-V739 VanDerWaalsContact C-N 3.32Å; M737-V739 PolarHBondContact O-N 3.4Å; V739-S742 PolarHBondContact O-N 2.85Å; V739-S742 PolarHBondContact O-OG 2.84Å; V739-L743 HydrophobicContact CG1-CD1 4.32Å; V739-L743 PolarHBondContact O-N 2.81Å; V739-M783 HydrophobicContact CG2-CG 3.72Å; V739-I786 HydrophobicContact CB-CG2 4.03Å; V739-I786 HydrophobicContact CG1-CG2 4.14Å; V739-I786 HydrophobicContact CG2-CG2 4.04Å; V739-M787 HydrophobicContact CG1-CG 4.11Å; V739-M787 HydrophobicContact CG2-CE 3.75Å; V739-M787 HydrophobicContact CG2-CG 4.18Å; V739-L790 HydrophobicContact CG1-CD1 3.79Å; V739-I792 HydrophobicContact CG1-CD1 3.9Å; V739-V820 HydrophobicContact CG2-CG2 4.26Å |
| 740 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R736 M737 L743 T744 L877 F883 A948 | R736-A740 PolarHBondContact O-N 3.3Å; M737-A740 WeakPolarHBondContact O-CB 3.33Å; M737-A740 PolarHBondContact O-N 3.2Å; M737-A740 VanDerWaalsContact O-N 3.13Å; A740-L743 CarbonylContact O-C 3.51Å; A740-L743 PolarHBondContact O-N 3.33Å; A740-T744 PolarHBondContact O-N 2.89Å; A740-T744 PolarHBondContact O-OG1 3.24Å; A740-L877 HydrophobicContact CB-CB 4.47Å; A740-L877 HydrophobicContact CB-CD2 3.88Å; A740-F883 HydrophobicContact CB-CE2 3.87Å; A740-F883 WeakPolarHBondContact O-CZ 3.48Å; A740-A948 HydrophobicContact CB-CB 3.57Å |
| 741 | E | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 9.1 Ų | 9.1 | 8% | 0.084 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 177.2 | 179.3 | -179.4 | -149 | 0 | 0 | 112.2 | G721 E722 Q723 M737 L743 T744 N745 | G721-E741 WeakPolarHBondContact CA-OE2 3.18Å; E722-E741 PolarHBondContact N-OE2 3.49Å; Q723-E741 WeakPolarHBondContact CG-OE2 3.44Å; Q723-E741 PolarHBondContact NE2-OE1 3.37Å; Q723-E741 PolarHBondContact NE2-OE2 3.24Å; M737-E741 WeakPolarHBondContact O-CB 3.33Å; M737-E741 PolarHBondContact O-N 2.91Å; E741-L743 PolarHBondContact O-N 3.17Å; E741-T744 WeakPolarHBondContact CA-OG1 3.38Å; E741-T744 PolarHBondContact O-N 3.07Å; E741-T744 PolarHBondContact O-OG1 2.75Å; E741-N745 VanDerWaalsContact O-CB 3.32Å; E741-N745 WeakPolarHBondContact O-CB 3.29Å; E741-N745 PolarHBondContact O-N 2.82Å; E741-N745 PolarHBondContact O-ND2 2.82Å |
| 742 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.2 | -10.3 | 175.6 | 73.8 | 0 | 0 | 0 | 0 | 114.7 | T738 V739 V820 S822 | T738-S742 PolarHBondContact O-N 3.09Å; V739-S742 PolarHBondContact O-N 2.85Å; V739-S742 PolarHBondContact O-OG 2.84Å; S742-V820 WeakPolarHBondContact OG-CG1 3.21Å; S742-S822 WeakPolarHBondContact O-CB 3.12Å; S742-S822 PolarHBondContact O-OG 3.23Å |
| 743 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -114.6 | -31.8 | 178 | -68.4 | 176 | 0 | 0 | 0 | 113.5 | V739 A740 E741 N745 L746 V747 L754 V757 L790 I792 F883 F887 | V739-L743 HydrophobicContact CG1-CD1 4.32Å; V739-L743 PolarHBondContact O-N 2.81Å; A740-L743 CarbonylContact O-C 3.51Å; A740-L743 PolarHBondContact O-N 3.33Å; E741-L743 PolarHBondContact O-N 3.17Å; L743-N745 VanDerWaalsContact C-N 3.29Å; L743-L746 HydrophobicContact CD2-CD2 4.1Å; L743-L746 PolarHBondContact O-N 2.88Å; L743-V747 PolarHBondContact O-N 3.35Å; L743-V747 VanDerWaalsContact O-N 3.13Å; L743-L754 HydrophobicContact CD1-CD1 4.28Å; L743-L754 HydrophobicContact CD2-CD1 3.98Å; L743-V757 HydrophobicContact CD2-CG1 4.09Å; L743-L790 HydrophobicContact CD1-CD1 3.84Å; L743-I792 HydrophobicContact CD1-CD1 3.99Å; L743-I792 HydrophobicContact CD2-CD1 4.49Å; L743-F883 HydrophobicContact CB-CE1 3.69Å; L743-F883 HydrophobicContact CB-CZ 3.54Å; L743-F883 HydrophobicContact CD1-CE1 3.91Å; L743-F883 HydrophobicContact CD1-CZ 4.27Å; L743-F887 HydrophobicContact CB-CE2 4.49Å; L743-F887 WeakPolarHBondContact O-CE2 3.44Å |
| 744 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 169.1 | 43.4 | 0 | 0 | 0 | 0 | 110.5 | A740 E741 V747 F748 F849 F883 D906 A948 I950 | A740-T744 PolarHBondContact O-N 2.89Å; A740-T744 PolarHBondContact O-OG1 3.24Å; E741-T744 WeakPolarHBondContact CA-OG1 3.38Å; E741-T744 PolarHBondContact O-N 3.07Å; E741-T744 PolarHBondContact O-OG1 2.75Å; T744-V747 WeakPolarHBondContact O-CG1 3.5Å; T744-F748 WeakPolarHBondContact O-CE2 3.3Å; T744-F849 HydrophobicContact CG2-CB 4.11Å; T744-F849 HydrophobicContact CG2-CD1 3.81Å; T744-F849 HydrophobicContact CG2-CE1 4.38Å; T744-F849 HydrophobicContact CG2-CG 4Å; T744-F883 HydrophobicContact CG2-CE2 3.95Å; T744-F883 HydrophobicContact CG2-CZ 3.98Å; T744-D906 WeakPolarHBondContact CB-OD2 3.45Å; T744-D906 PolarHBondContact OG1-OD2 2.78Å; T744-A948 HydrophobicContact CG2-CB 4.27Å; T744-I950 HydrophobicContact CG2-CG2 4.5Å |
| 745 | N | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 13.2 Ų | 13.2 | 11% | 0.112 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -46.1 | 168.3 | -75.7 | -25.2 | 0 | 0 | 0 | 112.3 | D702 A719 I720 E741 L743 V747 D906 | D702-N745 HydrophobicContact CB-CB 4.13Å; D702-N745 WeakPolarHBondContact O-CB 3.3Å; A719-N745 HydrophobicContact CB-CB 3.78Å; I720-N745 PolarHBondContact O-ND2 2.8Å; E741-N745 VanDerWaalsContact O-CB 3.32Å; E741-N745 WeakPolarHBondContact O-CB 3.29Å; E741-N745 PolarHBondContact O-N 2.82Å; E741-N745 PolarHBondContact O-ND2 2.82Å; L743-N745 VanDerWaalsContact C-N 3.29Å; N745-V747 VanDerWaalsContact C-N 3.26Å; N745-V747 PolarHBondContact O-N 3.13Å; N745-D906 VanDerWaalsContact OD1-CB 3.24Å; N745-D906 WeakPolarHBondContact OD1-CB 3.46Å |
| 746 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -65.6 | -23.7 | -177.6 | -167.5 | 65.1 | 0 | 0 | 0 | 114 | V703 A717 A719 L743 F748 A749 V757 V824 | V703-L746 HydrophobicContact CG2-CD1 4.07Å; A717-L746 HydrophobicContact CB-CD1 3.96Å; A719-L746 HydrophobicContact CB-CB 3.93Å; A719-L746 HydrophobicContact CB-CD1 4.1Å; L743-L746 HydrophobicContact CD2-CD2 4.1Å; L743-L746 PolarHBondContact O-N 2.88Å; L746-F748 PolarHBondContact O-N 2.94Å; L746-A749 PolarHBondContact O-N 3.09Å; L746-V757 HydrophobicContact CD2-CG1 3.89Å; L746-V757 HydrophobicContact CD2-CG2 3.71Å; L746-V824 HydrophobicContact CD1-CG1 4.29Å; L746-V824 HydrophobicContact CD2-CG1 4.06Å; L746-V824 HydrophobicContact CG-CG1 4.5Å |
| 747 | V | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -64.2 | -15.5 | -168.9 | 85.8 | 0 | 0 | 0 | 0 | 114.4 | L743 T744 N745 F849 F887 T890 Q891 I894 I950 | L743-V747 PolarHBondContact O-N 3.35Å; L743-V747 VanDerWaalsContact O-N 3.13Å; T744-V747 WeakPolarHBondContact O-CG1 3.5Å; N745-V747 VanDerWaalsContact C-N 3.26Å; N745-V747 PolarHBondContact O-N 3.13Å; V747-F849 HydrophobicContact CG2-CE1 4.45Å; V747-F849 HydrophobicContact CG2-CZ 4.42Å; V747-F887 HydrophobicContact CB-CD2 3.96Å; V747-F887 HydrophobicContact CB-CE2 3.81Å; V747-F887 HydrophobicContact CB-CZ 4.41Å; V747-F887 HydrophobicContact CG2-CB 4.42Å; V747-F887 HydrophobicContact CG2-CD1 4.27Å; V747-F887 HydrophobicContact CG2-CD2 3.57Å; V747-F887 HydrophobicContact CG2-CE1 4.42Å; V747-F887 HydrophobicContact CG2-CE2 3.75Å; V747-F887 HydrophobicContact CG2-CG 3.84Å; V747-F887 HydrophobicContact CG2-CZ 4.17Å; V747-T890 HydrophobicContact CG1-CG2 4.14Å; V747-T890 HydrophobicContact CG2-CG2 3.84Å; V747-Q891 PolarHBondContact O-NE2 3.32Å; V747-I894 WeakPolarHBondContact O-CD1 3.37Å; V747-I950 HydrophobicContact CG1-CD1 4.38Å; V747-I950 HydrophobicContact CG1-CG2 4.11Å |
| 748 | F | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 12 Ų | 12 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -87 | -11.5 | -176.6 | -60.8 | -62.2 | 0 | 0 | 0 | 114.8 | D702 V703 T744 L746 I833 H905 D906 I950 L952 | D702-F748 HydrophobicContact CB-CD2 3.86Å; D702-F748 HydrophobicContact CB-CE2 4.3Å; V703-F748 HydrophobicContact CG1-CB 4.19Å; T744-F748 WeakPolarHBondContact O-CE2 3.3Å; L746-F748 PolarHBondContact O-N 2.94Å; F748-I833 HydrophobicContact CB-CB 4.05Å; F748-I833 HydrophobicContact CD1-CB 4Å; F748-I833 HydrophobicContact CD1-CG2 3.79Å; F748-I833 HydrophobicContact CE1-CG2 4.49Å; F748-I833 HydrophobicContact CG-CB 4.44Å; F748-I833 HydrophobicContact CG-CG2 4.5Å; F748-I833 PolarHBondContact O-N 3.34Å; F748-H905 VanDerWaalsContact CZ-C 3.43Å; F748-H905 VanDerWaalsContact CZ-N 3.27Å; F748-D906 HydrophobicContact CE2-CB 4.48Å; F748-I950 HydrophobicContact CE1-CG2 4.44Å; F748-I950 HydrophobicContact CE2-CG2 4.18Å; F748-I950 HydrophobicContact CZ-CB 3.91Å; F748-I950 HydrophobicContact CZ-CG2 3.59Å; F748-L952 HydrophobicContact CE1-CD2 4.02Å |
| 749 | A | 97.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -90.4 | 143 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V703 V705 A717 L746 I751 Q891 | V703-A749 HydrophobicContact CG1-CB 4.2Å; V703-A749 HydrophobicContact CG2-CB 3.98Å; V705-A749 HydrophobicContact CG2-CB 3.85Å; A717-A749 HydrophobicContact CB-CB 3.72Å; L746-A749 PolarHBondContact O-N 3.09Å; A749-I751 HydrophobicContact CB-CG2 4.45Å; A749-I751 WeakPolarHBondContact O-CG2 3.47Å; A749-I751 PolarHBondContact O-N 2.64Å; A749-Q891 PolarHBondContact O-NE2 2.98Å |
| 750 | P | 97 | Very high | 98.3 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.013 | 6% | 0.064 | C | C | . | . | trans | -72 | 121.7 | 170.5 | -13 | 27.9 | 0 | 0 | 0 | 110.2 | C826 T827 D828 R831 I894 | P750-C826 CarbonylContact O-C 3.57Å; P750-C826 VanDerWaalsContact O-CA 3.27Å; P750-C826 WeakPolarHBondContact O-CA 3.49Å; P750-C826 PolarHBondContact O-SG 3.3Å; P750-T827 PolarHBondContact O-N 3.47Å; P750-T827 PolarHBondContact O-OG1 3.29Å; P750-D828 WeakPolarHBondContact CG-O 3.46Å; P750-R831 HydrophobicContact CG-CB 3.78Å; P750-I894 HydrophobicContact CB-CG2 4.47Å; P750-I894 HydrophobicContact CG-CG2 3.87Å | ||
| 751 | I | 98.1 | Very high | 98.3 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 6% | 0.062 | 7% | 0.065 | C | C | . | . | B | Isolated β-bridge | trans | -119.3 | 174.4 | -176.7 | 74.7 | 162 | 0 | 0 | 0 | 112.4 | A749 V757 V824 Q825 T827 F887 | A749-I751 HydrophobicContact CB-CG2 4.45Å; A749-I751 WeakPolarHBondContact O-CG2 3.47Å; A749-I751 PolarHBondContact O-N 2.64Å; I751-V757 HydrophobicContact CD1-CG2 3.74Å; I751-V824 HydrophobicContact CB-CG1 3.72Å; I751-V824 HydrophobicContact CB-CG2 4.35Å; I751-V824 HydrophobicContact CD1-CG1 4.03Å; I751-V824 HydrophobicContact CD1-CG2 4.29Å; I751-V824 HydrophobicContact CG2-CG1 3.38Å; I751-Q825 WeakPolarHBondContact CA-O 3.25Å; I751-T827 PolarHBondContact O-OG1 3.04Å; I751-F887 HydrophobicContact CD1-CE1 3.72Å; I751-F887 HydrophobicContact CD1-CZ 3.71Å; I751-F887 HydrophobicContact CG1-CE1 4.18Å; I751-F887 HydrophobicContact CG1-CZ 4.4Å |
| 752 | S | 97.5 | Very high | 98.3 | Very high | 46 Ų | 46 | 11.3 Ų | 11.3 | 32% | 0.322 | 6% | 0.061 | S | C | . | . | S | Bend | trans | -76.9 | -59.4 | -178.7 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | D756 Q825 | S752-D756 VanDerWaalsContact CB-OD2 3.25Å; S752-D756 WeakPolarHBondContact CB-OD2 3.21Å; S752-D756 WeakPolarHBondContact OG-CB 3.4Å; S752-D756 PolarHBondContact OG-OD2 3.46Å; S752-Q825 PolarHBondContact N-O 2.78Å |
| 753 | D | 97.8 | Very high | 98.2 | Very high | 53 Ų | 53 | 11.5 Ų | 11.5 | 28% | 0.283 | 6% | 0.062 | S | C | . | . | trans | -151.7 | 156.3 | 161.7 | -170.2 | -82.4 | 0 | 0 | 0 | 108.4 | K755 D756 R888 | D753-K755 PolarHBondContact O-N 2.89Å; D753-K755 WeakPolarHBondContact OD1-CB 3.25Å; D753-K755 PolarHBondContact OD1-N 3.04Å; D753-D756 PolarHBondContact N-OD2 3.21Å; D753-D756 WeakPolarHBondContact O-CB 3.37Å; D753-D756 PolarHBondContact O-N 2.9Å; D753-R888 IonicContact OD1-NH2 3.72Å; D753-R888 PolarHBondContact OD1-NH2 3.2Å; D753-R888 IonicContact OD2-NE 3.09Å | ||
| 754 | L | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -52.6 | -35.8 | 170.1 | 178.2 | 60.8 | 0 | 0 | 0 | 112 | L743 D756 V757 I792 C884 F887 | L743-L754 HydrophobicContact CD1-CD1 4.28Å; L743-L754 HydrophobicContact CD2-CD1 3.98Å; L754-D756 VanDerWaalsContact C-N 3.28Å; L754-D756 PolarHBondContact O-N 3.1Å; L754-V757 HydrophobicContact CD1-CG2 4.36Å; L754-V757 WeakPolarHBondContact O-CB 3.43Å; L754-V757 VanDerWaalsContact O-CG2 3.26Å; L754-V757 WeakPolarHBondContact O-CG2 3.22Å; L754-V757 PolarHBondContact O-N 3.43Å; L754-I792 HydrophobicContact CD1-CG2 4.12Å; L754-I792 HydrophobicContact CG-CG2 4.38Å; L754-I792 VanDerWaalsContact O-CG2 3.27Å; L754-I792 WeakPolarHBondContact O-CG2 3.33Å; L754-C884 HydrophobicContact CD2-CB 4.15Å; L754-F887 HydrophobicContact CB-CD1 4.06Å; L754-F887 HydrophobicContact CB-CE1 4.12Å; L754-F887 HydrophobicContact CD1-CD1 4.18Å; L754-F887 HydrophobicContact CD1-CD2 4.15Å; L754-F887 HydrophobicContact CD1-CE1 4.12Å; L754-F887 HydrophobicContact CD1-CE2 4.06Å; L754-F887 HydrophobicContact CD1-CG 4.22Å; L754-F887 HydrophobicContact CD1-CZ 4.06Å; L754-F887 HydrophobicContact CD2-CB 4.41Å; L754-F887 HydrophobicContact CD2-CD1 4.39Å; L754-F887 HydrophobicContact CD2-CG 4.31Å; L754-F887 HydrophobicContact CG-CD1 4.44Å |
| 755 | K | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 11.7 Ų | 11.7 | 32% | 0.317 | 6% | 0.062 | S | C | . | . | G | 310 helix | trans | -72.2 | -15.4 | 178.6 | -73.9 | -172.3 | 160.4 | -107.7 | 0 | 115.1 | N260 N262 D753 V757 K758 G791 | N260-K755 PolarHBondContact O-NZ 2.96Å; N262-K755 HydrophobicContact CB-CB 4.26Å; N262-K755 WeakPolarHBondContact CB-O 3.39Å; N262-K755 VanDerWaalsContact CG-CB 3.45Å; N262-K755 PolarHBondContact N-O 2.92Å; N262-K755 WeakPolarHBondContact OD1-CB 3.31Å; D753-K755 PolarHBondContact O-N 2.89Å; D753-K755 WeakPolarHBondContact OD1-CB 3.25Å; D753-K755 PolarHBondContact OD1-N 3.04Å; K755-V757 VanDerWaalsContact C-N 3.33Å; K755-K758 PolarHBondContact O-NZ 3.34Å; K755-G791 WeakPolarHBondContact CA-O 3.45Å |
| 756 | D | 98.5 | Very high | 97.9 | Very high | 23 Ų | 23 | 10.7 Ų | 10.7 | 12% | 0.123 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -78.9 | -22 | 173.4 | -70.9 | -28.7 | 0 | 0 | 0 | 111.9 | N262 N264 S752 D753 L754 K758 V824 | N262-D756 WeakPolarHBondContact CB-OD1 3.08Å; N262-D756 PolarHBondContact ND2-OD1 3Å; N264-D756 WeakPolarHBondContact ND2-CB 3.07Å; N264-D756 PolarHBondContact ND2-O 2.97Å; S752-D756 VanDerWaalsContact CB-OD2 3.25Å; S752-D756 WeakPolarHBondContact CB-OD2 3.21Å; S752-D756 WeakPolarHBondContact OG-CB 3.4Å; S752-D756 PolarHBondContact OG-OD2 3.46Å; D753-D756 PolarHBondContact N-OD2 3.21Å; D753-D756 WeakPolarHBondContact O-CB 3.37Å; D753-D756 PolarHBondContact O-N 2.9Å; L754-D756 VanDerWaalsContact C-N 3.28Å; L754-D756 PolarHBondContact O-N 3.1Å; D756-K758 PolarHBondContact O-N 2.76Å; D756-K758 PolarHBondContact O-NZ 2.85Å; D756-V824 HydrophobicContact CB-CG2 3.9Å |
| 757 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -55.8 | 133.3 | 178 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | L743 L746 I751 L754 K755 I792 V824 | L743-V757 HydrophobicContact CD2-CG1 4.09Å; L746-V757 HydrophobicContact CD2-CG1 3.89Å; L746-V757 HydrophobicContact CD2-CG2 3.71Å; I751-V757 HydrophobicContact CD1-CG2 3.74Å; L754-V757 HydrophobicContact CD1-CG2 4.36Å; L754-V757 WeakPolarHBondContact O-CB 3.43Å; L754-V757 VanDerWaalsContact O-CG2 3.26Å; L754-V757 WeakPolarHBondContact O-CG2 3.22Å; L754-V757 PolarHBondContact O-N 3.43Å; K755-V757 VanDerWaalsContact C-N 3.33Å; V757-I792 HydrophobicContact CB-CG2 3.89Å; V757-I792 HydrophobicContact CG1-CG2 4.39Å; V757-V824 HydrophobicContact CB-CB 4.44Å; V757-V824 HydrophobicContact CG2-CB 3.93Å; V757-V824 HydrophobicContact CG2-CG1 4.21Å; V757-V824 HydrophobicContact CG2-CG2 3.96Å | ||
| 758 | K | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 166.1 | 169.1 | -62.5 | -63.1 | 173 | -67 | 0 | 110.2 | S261 N262 N264 N265 I276 K755 D756 A793 D795 S822 Y823 | S261-K758 VanDerWaalsContact OG-CE 3.22Å; S261-K758 WeakPolarHBondContact OG-CE 3.41Å; S261-K758 PolarHBondContact OG-NZ 3.04Å; N262-K758 PolarHBondContact O-NZ 2.81Å; N264-K758 VanDerWaalsContact OD1-CE 3.28Å; N264-K758 WeakPolarHBondContact OD1-CE 3.49Å; N264-K758 PolarHBondContact OD1-NZ 2.88Å; N265-K758 WeakPolarHBondContact OD1-CD 3.48Å; N265-K758 WeakPolarHBondContact OD1-CE 3.35Å; I276-K758 HydrophobicContact CG2-CB 4.1Å; I276-K758 HydrophobicContact CG2-CG 3.55Å; K755-K758 PolarHBondContact O-NZ 3.34Å; D756-K758 PolarHBondContact O-N 2.76Å; D756-K758 PolarHBondContact O-NZ 2.85Å; K758-A793 CarbonylContact C-O 2.9Å; K758-A793 VanDerWaalsContact CA-O 3.28Å; K758-A793 WeakPolarHBondContact CA-O 3.33Å; K758-A793 HydrophobicContact CD-CB 3.95Å; K758-D795 WeakPolarHBondContact CB-OD2 3.4Å; K758-D795 WeakPolarHBondContact CG-OD2 3.43Å; K758-S822 CarbonylContact O-C 3.54Å; K758-S822 WeakPolarHBondContact O-CA 3.48Å; K758-Y823 HydrophobicContact CB-CD1 4.11Å; K758-Y823 HydrophobicContact CB-CE1 3.61Å; K758-Y823 PolarHBondContact N-O 3.31Å; K758-Y823 VanDerWaalsContact O-CD1 3.31Å; K758-Y823 WeakPolarHBondContact O-CD1 3.2Å; K758-Y823 PolarHBondContact O-N 3.37Å |
| 759 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142 | -173 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | M787 A793 V794 D795 V820 T821 | C759-M787 HydrophobicContact CB-CE 4.21Å; C759-A793 PolarHBondContact N-O 3.23Å; C759-V794 WeakPolarHBondContact O-CA 3.35Å; C759-V794 WeakPolarHBondContact O-CG1 3.49Å; C759-D795 PolarHBondContact O-N 3.35Å; C759-D795 VanDerWaalsContact O-N 3.11Å; C759-D795 VanDerWaalsContact O-OD1 3.12Å; C759-V820 HydrophobicContact CB-CG1 3.98Å; C759-T821 CarbonylContact C-O 3.53Å; C759-T821 VanDerWaalsContact CA-O 3.23Å; C759-T821 WeakPolarHBondContact CA-O 3.36Å |
| 760 | S | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 137.2 | 150.6 | -166.7 | 0 | 0 | 0 | 0 | 109.7 | N762 G796 G797 V820 T821 | S760-N762 PolarHBondContact OG-OD1 2.9Å; S760-G796 WeakPolarHBondContact CA-O 3.46Å; S760-G797 WeakPolarHBondContact OG-CA 3.43Å; S760-V820 WeakPolarHBondContact O-CA 3.2Å; S760-T821 PolarHBondContact N-O 3.35Å; S760-T821 PolarHBondContact O-N 2.89Å |
| 761 | A | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | M783 V794 G796 G797 K798 L818 | A761-M783 HydrophobicContact CB-CE 4.35Å; A761-M783 HydrophobicContact CB-SD 4.05Å; A761-V794 HydrophobicContact CB-CG1 3.89Å; A761-V794 HydrophobicContact CB-CG2 4.02Å; A761-G796 PolarHBondContact N-O 2.96Å; A761-G797 WeakPolarHBondContact O-CA 3.31Å; A761-K798 PolarHBondContact O-N 3.28Å; A761-L818 HydrophobicContact CB-CD1 4.09Å |
| 762 | N | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.3 | -172.5 | -71.1 | 74.7 | 0 | 0 | 0 | 111.2 | A308 F427 S760 M764 K798 L818 V819 | A308-N762 WeakPolarHBondContact CB-OD1 3.48Å; A308-N762 PolarHBondContact O-ND2 2.59Å; F427-N762 HydrophobicContact CD2-CB 4.37Å; F427-N762 HydrophobicContact CE2-CB 4Å; S760-N762 PolarHBondContact OG-OD1 2.9Å; N762-M764 HydrophobicContact CB-CE 4.39Å; N762-M764 HydrophobicContact CB-SD 4.27Å; N762-M764 WeakPolarHBondContact O-CE 3.25Å; N762-K798 CarbonylContact C-O 3.52Å; N762-K798 VanDerWaalsContact CA-O 3.29Å; N762-K798 WeakPolarHBondContact CA-O 3.47Å; N762-L818 WeakPolarHBondContact O-CA 3.3Å; N762-V819 HydrophobicContact CB-CB 4.41Å; N762-V819 PolarHBondContact N-O 2.91Å; N762-V819 PolarHBondContact O-N 3.35Å |
| 763 | W | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.8 | -165.8 | -61 | 90.8 | 0 | 0 | 0 | 113 | F235 W765 L776 A779 C780 M783 K798 D799 S800 L818 | F235-W763 AromaticContact CE1-CD1 3.95Å; F235-W763 HydrophobicContact CE1-CG 4.47Å; F235-W763 AromaticContact CE1-NE1 3.9Å; F235-W763 HydrophobicContact CE2-CB 4.39Å; F235-W763 HydrophobicContact CE2-CG 4.35Å; F235-W763 HydrophobicContact CZ-CB 4.13Å; F235-W763 AromaticContact CZ-CD1 3.5Å; F235-W763 VanDerWaalsContact CZ-CD1 3.5Å; F235-W763 HydrophobicContact CZ-CD2 4.03Å; F235-W763 AromaticContact CZ-CG 3.62Å; F235-W763 HydrophobicContact CZ-CG 3.62Å; F235-W763 AromaticContact CZ-NE1 3.79Å; W763-W765 HydrophobicContact CE3-CE3 4.38Å; W763-W765 HydrophobicContact CE3-CZ3 4.44Å; W763-W765 HydrophobicContact CZ3-CZ3 4.44Å; W763-L776 HydrophobicContact CD2-CD1 4.01Å; W763-L776 HydrophobicContact CE3-CD1 3.39Å; W763-L776 HydrophobicContact CZ3-CD1 3.91Å; W763-A779 HydrophobicContact CZ3-CB 4.05Å; W763-C780 VanDerWaalsContact CH2-CA 3.5Å; W763-C780 HydrophobicContact CH2-CB 3.9Å; W763-C780 HydrophobicContact CZ2-CB 4.11Å; W763-C780 HydrophobicContact CZ3-CB 4.49Å; W763-M783 HydrophobicContact CH2-CB 4.35Å; W763-M783 HydrophobicContact CH2-SD 4.02Å; W763-M783 HydrophobicContact CZ2-CE 3.83Å; W763-M783 HydrophobicContact CZ2-SD 3.58Å; W763-M783 VanDerWaalsContact CZ2-SD 3.58Å; W763-K798 PolarHBondContact N-O 3.16Å; W763-D799 HydrophobicContact CB-CB 4.02Å; W763-D799 CarbonylContact O-C 3.43Å; W763-D799 VanDerWaalsContact O-CA 3.31Å; W763-D799 WeakPolarHBondContact O-CA 3.44Å; W763-S800 PolarHBondContact O-N 3.42Å; W763-L818 HydrophobicContact CD2-CD1 3.83Å; W763-L818 HydrophobicContact CE3-CB 4Å; W763-L818 HydrophobicContact CE3-CD1 4.04Å; W763-L818 HydrophobicContact CE3-CG 4.47Å; W763-L818 HydrophobicContact CG-CD1 4.42Å; W763-L818 HydrophobicContact CH2-CB 4.4Å; W763-L818 HydrophobicContact CH2-CD1 3.98Å; W763-L818 HydrophobicContact CH2-CD2 3.78Å; W763-L818 HydrophobicContact CH2-CG 4.26Å; W763-L818 HydrophobicContact CZ2-CD1 3.8Å; W763-L818 HydrophobicContact CZ2-CD2 4.25Å; W763-L818 HydrophobicContact CZ3-CB 3.89Å; W763-L818 HydrophobicContact CZ3-CD1 4.12Å; W763-L818 HydrophobicContact CZ3-CD2 4.1Å; W763-L818 HydrophobicContact CZ3-CG 4.24Å |
| 764 | M | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 104 | 179 | -70.3 | 67 | 65.7 | 0 | 0 | 108.3 | T310 I425 N762 M803 T817 V819 | T310-M764 HydrophobicContact CG2-CG 4.4Å; T310-M764 HydrophobicContact CG2-SD 3.67Å; I425-M764 HydrophobicContact CD1-CB 3.57Å; I425-M764 HydrophobicContact CD1-CE 4.19Å; I425-M764 HydrophobicContact CD1-CG 3.84Å; I425-M764 HydrophobicContact CG1-CB 4.09Å; I425-M764 HydrophobicContact CG1-CG 4.02Å; I425-M764 HydrophobicContact CG2-CE 4.32Å; I425-M764 HydrophobicContact CG2-CG 4.27Å; N762-M764 HydrophobicContact CB-CE 4.39Å; N762-M764 HydrophobicContact CB-SD 4.27Å; N762-M764 WeakPolarHBondContact O-CE 3.25Å; M764-M803 HydrophobicContact CB-CG 4.04Å; M764-M803 HydrophobicContact CB-SD 4.48Å; M764-T817 HydrophobicContact CE-CG2 4.19Å; M764-T817 PolarHBondContact N-O 3.17Å; M764-T817 PolarHBondContact O-N 3.45Å; M764-V819 HydrophobicContact CE-CB 4.17Å; M764-V819 HydrophobicContact CE-CG2 3.54Å |
| 765 | W | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | trans | -139.9 | 144.5 | -168.8 | -144.4 | -73.5 | 0 | 0 | 0 | 112.9 | M727 P731 W763 A767 E772 K775 L776 A779 S800 L801 S802 M803 | M727-W765 HydrophobicContact CB-CH2 4.4Å; M727-W765 HydrophobicContact SD-CH2 4.11Å; M727-W765 HydrophobicContact SD-CZ3 3.95Å; P731-W765 HydrophobicContact CB-CH2 4.38Å; W763-W765 HydrophobicContact CE3-CE3 4.38Å; W763-W765 HydrophobicContact CE3-CZ3 4.44Å; W763-W765 HydrophobicContact CZ3-CZ3 4.44Å; W765-A767 HydrophobicContact CB-CB 4.23Å; W765-A767 HydrophobicContact CG-CB 4.45Å; W765-A767 PolarHBondContact O-N 3.34Å; W765-E772 PolarHBondContact NE1-O 3.17Å; W765-E772 PolarHBondContact NE1-OE2 2.95Å; W765-E772 VanDerWaalsContact NE1-OE2 3.12Å; W765-K775 HydrophobicContact CZ2-CB 3.71Å; W765-L776 HydrophobicContact CB-CD2 4.32Å; W765-L776 HydrophobicContact CD2-CB 3.94Å; W765-L776 HydrophobicContact CD2-CD1 4.08Å; W765-L776 HydrophobicContact CD2-CG 4.49Å; W765-L776 HydrophobicContact CE3-CB 4.37Å; W765-L776 HydrophobicContact CE3-CD1 3.76Å; W765-L776 HydrophobicContact CG-CB 4.12Å; W765-L776 HydrophobicContact CG-CD1 4.44Å; W765-L776 HydrophobicContact CG-CD2 4.43Å; W765-L776 HydrophobicContact CZ3-CD1 4.34Å; W765-A779 HydrophobicContact CH2-CB 3.9Å; W765-A779 HydrophobicContact CZ3-CB 4.1Å; W765-S800 PolarHBondContact N-O 2.91Å; W765-L801 HydrophobicContact CB-CD2 4.41Å; W765-L801 CarbonylContact O-C 3.58Å; W765-L801 WeakPolarHBondContact O-CA 3.08Å; W765-S802 PolarHBondContact O-N 3.36Å; W765-M803 PolarHBondContact O-N 2.82Å | ||
| 766 | P | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | trans | -75.5 | 44.3 | 165 | 32.5 | -38.6 | 0 | 0 | 0 | 112.5 | K768 F769 E772 K813 | P766-K768 PolarHBondContact O-N 3.32Å; P766-F769 HydrophobicContact CB-CD2 4.03Å; P766-F769 WeakPolarHBondContact O-CD2 3.21Å; P766-F769 PolarHBondContact O-N 2.87Å; P766-E772 HydrophobicContact CB-CG 4.49Å; P766-E772 HydrophobicContact CG-CB 4.24Å; P766-E772 HydrophobicContact CG-CG 3.93Å; P766-E772 VanDerWaalsContact O-CB 3.27Å; P766-E772 WeakPolarHBondContact O-CB 3.34Å; P766-K813 HydrophobicContact CB-CB 4.24Å; P766-K813 HydrophobicContact CB-CG 4.26Å; P766-K813 HydrophobicContact CG-CB 4.24Å | ||
| 767 | A | 92.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.9 | -167 | 0 | 0 | 0 | 0 | 0 | 115.1 | W765 F769 L776 L801 | W765-A767 HydrophobicContact CB-CB 4.23Å; W765-A767 HydrophobicContact CG-CB 4.45Å; W765-A767 PolarHBondContact O-N 3.34Å; A767-F769 PolarHBondContact O-N 3.16Å; A767-L776 HydrophobicContact CB-CD2 3.73Å; A767-L801 HydrophobicContact CB-CB 4.26Å; A767-L801 HydrophobicContact CB-CD2 4.06Å; A767-L801 PolarHBondContact N-O 2.64Å |
| 768 | K | 86.8 | Confident | 94.5 | Very high | 69 Ų | 69 | 15.2 Ų | 15.2 | 30% | 0.3 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 3 | 172.9 | -58.6 | -170.6 | -178.3 | -166.5 | 0 | 113.8 | S469 M471 P766 | S469-K768 PolarHBondContact O-NZ 2.9Å; M471-K768 HydrophobicContact CE-CB 4.26Å; M471-K768 HydrophobicContact CG-CB 4.16Å; M471-K768 HydrophobicContact CG-CD 3.75Å; P766-K768 PolarHBondContact O-N 3.32Å |
| 769 | F | 89.2 | Confident | 94.5 | Very high | 32 Ų | 32 | 15.2 Ų | 15.2 | 14% | 0.14 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -103.4 | 142.1 | 176.6 | -71.8 | -89.8 | 0 | 0 | 0 | 112.3 | V472 P766 A767 G771 E772 A804 I811 K813 | V472-F769 HydrophobicContact CG2-CZ 3.99Å; P766-F769 HydrophobicContact CB-CD2 4.03Å; P766-F769 WeakPolarHBondContact O-CD2 3.21Å; P766-F769 PolarHBondContact O-N 2.87Å; A767-F769 PolarHBondContact O-N 3.16Å; F769-G771 PolarHBondContact O-N 2.93Å; F769-E772 HydrophobicContact CB-CB 4.38Å; F769-E772 HydrophobicContact CB-CG 4.05Å; F769-E772 WeakPolarHBondContact O-CB 3.25Å; F769-E772 PolarHBondContact O-N 2.89Å; F769-A804 HydrophobicContact CD2-CB 4.39Å; F769-A804 HydrophobicContact CE2-CB 3.51Å; F769-A804 HydrophobicContact CZ-CB 3.96Å; F769-I811 HydrophobicContact CE1-CD1 4.05Å; F769-I811 HydrophobicContact CE1-CG2 3.74Å; F769-I811 HydrophobicContact CZ-CD1 4.44Å; F769-I811 HydrophobicContact CZ-CG2 3.61Å; F769-K813 HydrophobicContact CB-CD 4.41Å; F769-K813 HydrophobicContact CG-CD 4.31Å |
| 770 | P | 84.2 | Confident | 94.5 | Very high | 106 Ų | 106 | 15.2 Ų | 15.2 | 69% | 0.688 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 123.9 | -177 | -26.3 | 34.6 | 0 | 0 | 0 | 113.4 | I639 E772 | I639-P770 HydrophobicContact CD1-CB 4.12Å; P770-E772 VanDerWaalsContact C-N 3.3Å; P770-E772 PolarHBondContact O-N 3.42Å |
| 771 | G | 89 | Confident | 94.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -22.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | F769 D773 F774 K775 | F769-G771 PolarHBondContact O-N 2.93Å; G771-D773 VanDerWaalsContact C-OD1 3.26Å; G771-D773 WeakPolarHBondContact CA-OD1 3.38Å; G771-D773 PolarHBondContact N-OD1 3.1Å; G771-F774 PolarHBondContact O-N 3.03Å; G771-K775 WeakPolarHBondContact O-CG 3.46Å; G771-K775 PolarHBondContact O-N 3.23Å |
| 772 | E | 92.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73.3 | -33.1 | 173.4 | -63.2 | -59.5 | 149.9 | 0 | 0 | 111.3 | W765 P766 F769 P770 F774 K775 L776 K813 | W765-E772 PolarHBondContact NE1-O 3.17Å; W765-E772 PolarHBondContact NE1-OE2 2.95Å; W765-E772 VanDerWaalsContact NE1-OE2 3.12Å; P766-E772 HydrophobicContact CB-CG 4.49Å; P766-E772 HydrophobicContact CG-CB 4.24Å; P766-E772 HydrophobicContact CG-CG 3.93Å; P766-E772 VanDerWaalsContact O-CB 3.27Å; P766-E772 WeakPolarHBondContact O-CB 3.34Å; F769-E772 HydrophobicContact CB-CB 4.38Å; F769-E772 HydrophobicContact CB-CG 4.05Å; F769-E772 WeakPolarHBondContact O-CB 3.25Å; F769-E772 PolarHBondContact O-N 2.89Å; P770-E772 VanDerWaalsContact C-N 3.3Å; P770-E772 PolarHBondContact O-N 3.42Å; E772-F774 VanDerWaalsContact C-N 3.33Å; E772-F774 PolarHBondContact O-N 3Å; E772-K775 PolarHBondContact O-N 2.98Å; E772-K775 IonicContact OE1-NZ 3.72Å; E772-K775 PolarHBondContact OE1-NZ 2.73Å; E772-K775 WeakPolarHBondContact OE2-CD 3.38Å; E772-K775 IonicContact OE2-NZ 3.81Å; E772-L776 WeakPolarHBondContact O-CB 3.45Å; E772-L776 PolarHBondContact O-N 2.58Å; E772-K813 HydrophobicContact CG-CD 4.42Å; E772-K813 IonicContact OE1-NZ 3.63Å |
| 773 | D | 93.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 18 Ų | 18 | 12% | 0.118 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.8 | -46.5 | 165.3 | 56.3 | -10.4 | 0 | 0 | 0 | 112.8 | F234 L636 G771 L777 | F234-D773 HydrophobicContact CE2-CB 4.21Å; F234-D773 HydrophobicContact CZ-CB 3.9Å; L636-D773 HydrophobicContact CD2-CB 4.2Å; L636-D773 HydrophobicContact CG-CB 3.97Å; L636-D773 WeakPolarHBondContact CG-OD2 3.42Å; G771-D773 VanDerWaalsContact C-OD1 3.26Å; G771-D773 WeakPolarHBondContact CA-OD1 3.38Å; G771-D773 PolarHBondContact N-OD1 3.1Å; D773-L777 PolarHBondContact O-N 2.76Å |
| 774 | F | 94.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 18.2 Ų | 18.2 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.8 | -38.5 | 178.2 | -179.4 | -105.4 | 0 | 0 | 0 | 112.9 | V241 K637 G771 E772 L776 L777 T778 | V241-F774 HydrophobicContact CG1-CD2 3.85Å; V241-F774 HydrophobicContact CG1-CE2 3.72Å; V241-F774 HydrophobicContact CG2-CD2 4.21Å; V241-F774 HydrophobicContact CG2-CE2 4.38Å; K637-F774 WeakPolarHBondContact O-CB 3.24Å; G771-F774 PolarHBondContact O-N 3.03Å; E772-F774 VanDerWaalsContact C-N 3.33Å; E772-F774 PolarHBondContact O-N 3Å; F774-L776 VanDerWaalsContact C-N 3.35Å; F774-L777 HydrophobicContact CD2-CD2 4.43Å; F774-L777 WeakPolarHBondContact O-CB 3.4Å; F774-L777 PolarHBondContact O-N 3.15Å; F774-T778 HydrophobicContact CD1-CG2 4.46Å; F774-T778 HydrophobicContact CE1-CG2 3.95Å; F774-T778 HydrophobicContact CE2-CG2 4.15Å; F774-T778 HydrophobicContact CZ-CG2 3.78Å; F774-T778 PolarHBondContact O-N 3.33Å; F774-T778 PolarHBondContact O-OG1 3.16Å |
| 775 | K | 94.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 174.1 | -68 | 173 | -172.4 | 174.6 | 0 | 112.5 | P731 W765 G771 E772 T778 A779 | P731-K775 HydrophobicContact CB-CB 4.25Å; P731-K775 WeakPolarHBondContact CB-O 3.42Å; P731-K775 HydrophobicContact CG-CB 3.68Å; P731-K775 HydrophobicContact CG-CD 4.25Å; P731-K775 HydrophobicContact CG-CG 3.74Å; W765-K775 HydrophobicContact CZ2-CB 3.71Å; G771-K775 WeakPolarHBondContact O-CG 3.46Å; G771-K775 PolarHBondContact O-N 3.23Å; E772-K775 PolarHBondContact O-N 2.98Å; E772-K775 IonicContact OE1-NZ 3.72Å; E772-K775 PolarHBondContact OE1-NZ 2.73Å; E772-K775 WeakPolarHBondContact OE2-CD 3.38Å; E772-K775 IonicContact OE2-NZ 3.81Å; K775-T778 PolarHBondContact O-N 2.8Å; K775-T778 PolarHBondContact O-OG1 2.98Å; K775-T778 VanDerWaalsContact O-OG1 3.12Å; K775-A779 VanDerWaalsContact O-CB 3.3Å; K775-A779 WeakPolarHBondContact O-CB 3.42Å; K775-A779 PolarHBondContact O-N 3.4Å |
| 776 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 173.5 | 174.5 | 57.8 | 0 | 0 | 0 | 111.4 | F234 F235 L250 W763 W765 A767 E772 F774 C780 L801 | F234-L776 HydrophobicContact CD1-CD2 4.07Å; F234-L776 HydrophobicContact CE1-CD2 3.73Å; F234-L776 HydrophobicContact CE1-CG 4.4Å; F235-L776 HydrophobicContact CE2-CD2 4.3Å; F235-L776 HydrophobicContact CZ-CD1 4.48Å; L250-L776 HydrophobicContact CD1-CD2 4.3Å; L250-L776 HydrophobicContact CD1-CG 4.1Å; W763-L776 HydrophobicContact CD2-CD1 4.01Å; W763-L776 HydrophobicContact CE3-CD1 3.39Å; W763-L776 HydrophobicContact CZ3-CD1 3.91Å; W765-L776 HydrophobicContact CB-CD2 4.32Å; W765-L776 HydrophobicContact CD2-CB 3.94Å; W765-L776 HydrophobicContact CD2-CD1 4.08Å; W765-L776 HydrophobicContact CD2-CG 4.49Å; W765-L776 HydrophobicContact CE3-CB 4.37Å; W765-L776 HydrophobicContact CE3-CD1 3.76Å; W765-L776 HydrophobicContact CG-CB 4.12Å; W765-L776 HydrophobicContact CG-CD1 4.44Å; W765-L776 HydrophobicContact CG-CD2 4.43Å; W765-L776 HydrophobicContact CZ3-CD1 4.34Å; A767-L776 HydrophobicContact CB-CD2 3.73Å; E772-L776 WeakPolarHBondContact O-CB 3.45Å; E772-L776 PolarHBondContact O-N 2.58Å; F774-L776 VanDerWaalsContact C-N 3.35Å; L776-C780 VanDerWaalsContact O-CB 3.25Å; L776-C780 WeakPolarHBondContact O-CB 3.3Å; L776-C780 PolarHBondContact O-N 3.05Å; L776-L801 HydrophobicContact CD2-CD2 3.74Å |
| 777 | L | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.1 | 170.5 | 61.8 | 0 | 0 | 0 | 112.4 | L239 V241 E246 L250 M253 L636 D773 F774 R781 | L239-L777 HydrophobicContact CD1-CD1 4.06Å; V241-L777 HydrophobicContact CG2-CD2 3.54Å; E246-L777 HydrophobicContact CG-CD2 4.05Å; L250-L777 HydrophobicContact CD2-CB 4.33Å; L250-L777 HydrophobicContact CD2-CD1 3.56Å; M253-L777 HydrophobicContact CE-CD1 3.87Å; L636-L777 HydrophobicContact CD2-CB 4.3Å; L636-L777 HydrophobicContact CD2-CD2 3.9Å; D773-L777 PolarHBondContact O-N 2.76Å; F774-L777 HydrophobicContact CD2-CD2 4.43Å; F774-L777 WeakPolarHBondContact O-CB 3.4Å; F774-L777 PolarHBondContact O-N 3.15Å; L777-R781 WeakPolarHBondContact O-CB 3.44Å; L777-R781 PolarHBondContact O-N 2.99Å |
| 778 | T | 96 | Very high | 95 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | F774 K775 C780 R781 A782 | F774-T778 HydrophobicContact CD1-CG2 4.46Å; F774-T778 HydrophobicContact CE1-CG2 3.95Å; F774-T778 HydrophobicContact CE2-CG2 4.15Å; F774-T778 HydrophobicContact CZ-CG2 3.78Å; F774-T778 PolarHBondContact O-N 3.33Å; F774-T778 PolarHBondContact O-OG1 3.16Å; K775-T778 PolarHBondContact O-N 2.8Å; K775-T778 PolarHBondContact O-OG1 2.98Å; K775-T778 VanDerWaalsContact O-OG1 3.12Å; T778-C780 PolarHBondContact O-N 3.14Å; T778-R781 PolarHBondContact O-N 3.42Å; T778-A782 WeakPolarHBondContact O-CB 3.35Å; T778-A782 PolarHBondContact O-N 2.83Å |
| 779 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P731 A735 W763 W765 K775 A782 M783 | P731-A779 HydrophobicContact CB-CB 3.97Å; A735-A779 HydrophobicContact CB-CB 4.09Å; A735-A779 VanDerWaalsContact CB-O 3.31Å; A735-A779 WeakPolarHBondContact CB-O 3.45Å; W763-A779 HydrophobicContact CZ3-CB 4.05Å; W765-A779 HydrophobicContact CH2-CB 3.9Å; W765-A779 HydrophobicContact CZ3-CB 4.1Å; K775-A779 VanDerWaalsContact O-CB 3.3Å; K775-A779 WeakPolarHBondContact O-CB 3.42Å; K775-A779 PolarHBondContact O-N 3.4Å; A779-A782 PolarHBondContact O-N 3.06Å; A779-M783 WeakPolarHBondContact O-CB 3.49Å; A779-M783 PolarHBondContact O-N 3.34Å |
| 780 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | L250 W763 L776 T778 A782 M783 C784 | L250-C780 HydrophobicContact CD2-CB 4.09Å; W763-C780 VanDerWaalsContact CH2-CA 3.5Å; W763-C780 HydrophobicContact CH2-CB 3.9Å; W763-C780 HydrophobicContact CZ2-CB 4.11Å; W763-C780 HydrophobicContact CZ3-CB 4.49Å; L776-C780 VanDerWaalsContact O-CB 3.25Å; L776-C780 WeakPolarHBondContact O-CB 3.3Å; L776-C780 PolarHBondContact O-N 3.05Å; T778-C780 PolarHBondContact O-N 3.14Å; C780-A782 PolarHBondContact O-N 3.48Å; C780-M783 PolarHBondContact O-N 3.07Å; C780-C784 PolarHBondContact O-N 2.97Å; C780-C784 PolarHBondContact O-SG 3.39Å |
| 781 | R | 97.7 | Very high | 96.6 | Very high | 61 Ų | 61 | 17.8 Ų | 17.8 | 23% | 0.23 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.4 | -176.4 | -177.4 | -67.8 | 139.2 | -4.5 | 111.7 | E246 L777 T778 C784 Q785 | E246-R781 IonicContact OE1-CZ 2.85Å; E246-R781 IonicContact OE1-NH2 3.35Å; E246-R781 PolarHBondContact OE1-NH2 2.94Å; E246-R781 IonicContact OE2-CZ 2.73Å; E246-R781 IonicContact OE2-NH2 3.52Å; E246-R781 PolarHBondContact OE2-NH2 3.08Å; L777-R781 WeakPolarHBondContact O-CB 3.44Å; L777-R781 PolarHBondContact O-N 2.99Å; T778-R781 PolarHBondContact O-N 3.42Å; R781-C784 PolarHBondContact O-N 3.07Å; R781-Q785 WeakPolarHBondContact O-CB 3.24Å; R781-Q785 VanDerWaalsContact O-CG 3.28Å; R781-Q785 WeakPolarHBondContact O-CG 3.09Å; R781-Q785 PolarHBondContact O-N 2.98Å |
| 782 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | E732 A735 R736 T778 A779 C780 Q785 I786 | E732-A782 HydrophobicContact CB-CB 3.64Å; E732-A782 HydrophobicContact CG-CB 4.08Å; A735-A782 HydrophobicContact CB-CB 4.42Å; R736-A782 HydrophobicContact CG-CB 4.47Å; T778-A782 WeakPolarHBondContact O-CB 3.35Å; T778-A782 PolarHBondContact O-N 2.83Å; A779-A782 PolarHBondContact O-N 3.06Å; C780-A782 PolarHBondContact O-N 3.48Å; A782-Q785 PolarHBondContact O-N 2.92Å; A782-I786 PolarHBondContact O-N 2.85Å |
| 783 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 172.8 | -172.3 | -159.5 | 71.5 | 0 | 0 | 111 | V254 A735 V739 A761 W763 A779 C780 Q785 I786 M787 V794 L818 V820 | V254-M783 HydrophobicContact CG2-CE 4.25Å; A735-M783 HydrophobicContact CB-CB 4.38Å; V739-M783 HydrophobicContact CG2-CG 3.72Å; A761-M783 HydrophobicContact CB-CE 4.35Å; A761-M783 HydrophobicContact CB-SD 4.05Å; W763-M783 HydrophobicContact CH2-CB 4.35Å; W763-M783 HydrophobicContact CH2-SD 4.02Å; W763-M783 HydrophobicContact CZ2-CE 3.83Å; W763-M783 HydrophobicContact CZ2-SD 3.58Å; W763-M783 VanDerWaalsContact CZ2-SD 3.58Å; A779-M783 WeakPolarHBondContact O-CB 3.49Å; A779-M783 PolarHBondContact O-N 3.34Å; C780-M783 PolarHBondContact O-N 3.07Å; M783-Q785 VanDerWaalsContact C-N 3.33Å; M783-Q785 PolarHBondContact O-N 3.46Å; M783-I786 WeakPolarHBondContact O-CG2 3.22Å; M783-I786 PolarHBondContact O-N 2.94Å; M783-M787 HydrophobicContact CE-CE 4.31Å; M783-M787 HydrophobicContact CE-SD 4.07Å; M783-M787 HydrophobicContact CG-CE 3.73Å; M783-M787 HydrophobicContact CG-CG 4.36Å; M783-M787 HydrophobicContact CG-SD 4Å; M783-M787 WeakPolarHBondContact O-CB 3.48Å; M783-M787 VanDerWaalsContact O-CG 3.27Å; M783-M787 WeakPolarHBondContact O-CG 3.49Å; M783-M787 PolarHBondContact O-N 3.07Å; M783-M787 HydrophobicContact SD-CE 3.75Å; M783-M787 HydrophobicContact SD-SD 4.23Å; M783-V794 HydrophobicContact CE-CG2 3.7Å; M783-V794 HydrophobicContact SD-CG2 4.5Å; M783-L818 HydrophobicContact CB-CD2 4.46Å; M783-L818 HydrophobicContact CG-CD2 4.06Å; M783-L818 HydrophobicContact SD-CD1 4.22Å; M783-L818 HydrophobicContact SD-CD2 3.72Å; M783-V820 HydrophobicContact SD-CG2 4.43Å |
| 784 | C | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | -178.4 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | T257 C780 R781 S788 | T257-C784 HydrophobicContact CG2-CB 3.84Å; C780-C784 PolarHBondContact O-N 2.97Å; C780-C784 PolarHBondContact O-SG 3.39Å; R781-C784 PolarHBondContact O-N 3.07Å; C784-S788 WeakPolarHBondContact O-CB 3.36Å; C784-S788 PolarHBondContact O-N 2.83Å; C784-S788 VanDerWaalsContact O-N 3.09Å; C784-S788 PolarHBondContact O-OG 2.88Å |
| 785 | Q | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 15.5 Ų | 15.5 | 50% | 0.495 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.4 | -74.6 | 173.1 | -4.6 | 0 | 0 | 112.2 | R781 A782 M783 S788 S789 | R781-Q785 WeakPolarHBondContact O-CB 3.24Å; R781-Q785 VanDerWaalsContact O-CG 3.28Å; R781-Q785 WeakPolarHBondContact O-CG 3.09Å; R781-Q785 PolarHBondContact O-N 2.98Å; A782-Q785 PolarHBondContact O-N 2.92Å; M783-Q785 VanDerWaalsContact C-N 3.33Å; M783-Q785 PolarHBondContact O-N 3.46Å; Q785-S788 PolarHBondContact O-N 3.08Å; Q785-S789 WeakPolarHBondContact O-CB 3.28Å; Q785-S789 PolarHBondContact O-N 3.27Å; Q785-S789 PolarHBondContact O-OG 2.85Å |
| 786 | I | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.036 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -73 | -39.6 | -178.2 | -158.9 | 66 | 0 | 0 | 0 | 111.6 | R736 V739 A782 M783 S788 S789 L790 L877 P880 | R736-I786 HydrophobicContact CG-CB 3.95Å; R736-I786 HydrophobicContact CG-CG1 4.2Å; R736-I786 HydrophobicContact CG-CG2 4.05Å; V739-I786 HydrophobicContact CB-CG2 4.03Å; V739-I786 HydrophobicContact CG1-CG2 4.14Å; V739-I786 HydrophobicContact CG2-CG2 4.04Å; A782-I786 PolarHBondContact O-N 2.85Å; M783-I786 WeakPolarHBondContact O-CG2 3.22Å; M783-I786 PolarHBondContact O-N 2.94Å; I786-S788 VanDerWaalsContact C-N 3.33Å; I786-S788 PolarHBondContact O-N 3.18Å; I786-S789 CarbonylContact O-C 3.56Å; I786-S789 WeakPolarHBondContact O-CB 3.34Å; I786-S789 PolarHBondContact O-N 3.26Å; I786-L790 HydrophobicContact CG1-CD1 4.05Å; I786-L790 HydrophobicContact CG1-CG 4.4Å; I786-L790 WeakPolarHBondContact O-CB 3.25Å; I786-L790 VanDerWaalsContact O-CG 3.25Å; I786-L790 WeakPolarHBondContact O-CG 3.09Å; I786-L790 PolarHBondContact O-N 3.06Å; I786-L877 HydrophobicContact CD1-CD2 4.11Å; I786-L877 HydrophobicContact CD1-CG 4.06Å; I786-L877 HydrophobicContact CG1-CD2 3.89Å; I786-L877 HydrophobicContact CG1-CG 4.32Å; I786-P880 HydrophobicContact CD1-CB 3.8Å; I786-P880 HydrophobicContact CD1-CG 3.91Å |
| 787 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 173.1 | -74.5 | -173.3 | 171.1 | 0 | 0 | 111.4 | T257 V739 C759 M783 S789 L790 G791 I792 V794 V820 | T257-M787 HydrophobicContact CG2-CB 4.28Å; T257-M787 HydrophobicContact CG2-SD 4.39Å; V739-M787 HydrophobicContact CG1-CG 4.11Å; V739-M787 HydrophobicContact CG2-CE 3.75Å; V739-M787 HydrophobicContact CG2-CG 4.18Å; C759-M787 HydrophobicContact CB-CE 4.21Å; M783-M787 HydrophobicContact CE-CE 4.31Å; M783-M787 HydrophobicContact CE-SD 4.07Å; M783-M787 HydrophobicContact CG-CE 3.73Å; M783-M787 HydrophobicContact CG-CG 4.36Å; M783-M787 HydrophobicContact CG-SD 4Å; M783-M787 WeakPolarHBondContact O-CB 3.48Å; M783-M787 VanDerWaalsContact O-CG 3.27Å; M783-M787 WeakPolarHBondContact O-CG 3.49Å; M783-M787 PolarHBondContact O-N 3.07Å; M783-M787 HydrophobicContact SD-CE 3.75Å; M783-M787 HydrophobicContact SD-SD 4.23Å; M787-S789 VanDerWaalsContact C-N 3.3Å; M787-S789 PolarHBondContact O-N 3.49Å; M787-L790 PolarHBondContact O-N 3.24Å; M787-G791 PolarHBondContact O-N 2.85Å; M787-I792 CarbonylContact C-O 3.53Å; M787-I792 HydrophobicContact CB-CD1 4.45Å; M787-I792 HydrophobicContact CB-CG1 3.87Å; M787-I792 HydrophobicContact CE-CD1 4.43Å; M787-I792 HydrophobicContact CG-CD1 3.86Å; M787-I792 HydrophobicContact CG-CG1 3.83Å; M787-I792 PolarHBondContact O-N 2.82Å; M787-V794 HydrophobicContact CE-CG2 3.83Å; M787-V794 HydrophobicContact SD-CG2 3.44Å; M787-V794 WeakPolarHBondContact SD-CG2 3.28Å; M787-V820 HydrophobicContact CE-CG1 4.14Å; M787-V820 HydrophobicContact CE-CG2 4.16Å |
| 788 | S | 97.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60 | -38.4 | 173.9 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | N260 C784 Q785 I786 G791 | N260-S788 WeakPolarHBondContact ND2-CB 3.45Å; N260-S788 PolarHBondContact ND2-OG 3.24Å; C784-S788 WeakPolarHBondContact O-CB 3.36Å; C784-S788 PolarHBondContact O-N 2.83Å; C784-S788 VanDerWaalsContact O-N 3.09Å; C784-S788 PolarHBondContact O-OG 2.88Å; Q785-S788 PolarHBondContact O-N 3.08Å; I786-S788 VanDerWaalsContact C-N 3.33Å; I786-S788 PolarHBondContact O-N 3.18Å; S788-G791 PolarHBondContact O-N 3.33Å |
| 789 | S | 97.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 19.2 Ų | 19.2 | 38% | 0.378 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -72.6 | -29.1 | 179.2 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | Q785 I786 M787 | Q785-S789 WeakPolarHBondContact O-CB 3.28Å; Q785-S789 PolarHBondContact O-N 3.27Å; Q785-S789 PolarHBondContact O-OG 2.85Å; I786-S789 CarbonylContact O-C 3.56Å; I786-S789 WeakPolarHBondContact O-CB 3.34Å; I786-S789 PolarHBondContact O-N 3.26Å; M787-S789 VanDerWaalsContact C-N 3.3Å; M787-S789 PolarHBondContact O-N 3.49Å |
| 790 | L | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -84 | -26.9 | 175.9 | -66.8 | 167 | 0 | 0 | 0 | 111.9 | V739 L743 I786 M787 I792 L877 P880 F883 | V739-L790 HydrophobicContact CG1-CD1 3.79Å; L743-L790 HydrophobicContact CD1-CD1 3.84Å; I786-L790 HydrophobicContact CG1-CD1 4.05Å; I786-L790 HydrophobicContact CG1-CG 4.4Å; I786-L790 WeakPolarHBondContact O-CB 3.25Å; I786-L790 VanDerWaalsContact O-CG 3.25Å; I786-L790 WeakPolarHBondContact O-CG 3.09Å; I786-L790 PolarHBondContact O-N 3.06Å; M787-L790 PolarHBondContact O-N 3.24Å; L790-I792 HydrophobicContact CB-CG1 4.37Å; L790-L877 HydrophobicContact CD1-CD2 4.36Å; L790-P880 HydrophobicContact CD2-CB 4.05Å; L790-P880 HydrophobicContact CG-CB 4.42Å; L790-F883 HydrophobicContact CD2-CB 3.93Å; L790-F883 HydrophobicContact CD2-CD1 3.7Å; L790-F883 HydrophobicContact CD2-CE1 4.5Å; L790-F883 HydrophobicContact CD2-CG 3.9Å |
| 791 | G | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 22.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S261 K755 M787 S788 | S261-G791 WeakPolarHBondContact CA-O 3.3Å; S261-G791 WeakPolarHBondContact CB-O 3.45Å; K755-G791 WeakPolarHBondContact CA-O 3.45Å; M787-G791 PolarHBondContact O-N 2.85Å; S788-G791 PolarHBondContact O-N 3.33Å |
| 792 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -106.6 | 167.3 | 176.5 | 64.5 | 159.9 | 0 | 0 | 0 | 110.8 | V739 L743 L754 V757 M787 L790 | V739-I792 HydrophobicContact CG1-CD1 3.9Å; L743-I792 HydrophobicContact CD1-CD1 3.99Å; L743-I792 HydrophobicContact CD2-CD1 4.49Å; L754-I792 HydrophobicContact CD1-CG2 4.12Å; L754-I792 HydrophobicContact CG-CG2 4.38Å; L754-I792 VanDerWaalsContact O-CG2 3.27Å; L754-I792 WeakPolarHBondContact O-CG2 3.33Å; V757-I792 HydrophobicContact CB-CG2 3.89Å; V757-I792 HydrophobicContact CG1-CG2 4.39Å; M787-I792 CarbonylContact C-O 3.53Å; M787-I792 HydrophobicContact CB-CD1 4.45Å; M787-I792 HydrophobicContact CB-CG1 3.87Å; M787-I792 HydrophobicContact CE-CD1 4.43Å; M787-I792 HydrophobicContact CG-CD1 3.86Å; M787-I792 HydrophobicContact CG-CG1 3.83Å; M787-I792 PolarHBondContact O-N 2.82Å; L790-I792 HydrophobicContact CB-CG1 4.37Å | ||
| 793 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T257 Q258 S261 K758 C759 | T257-A793 WeakPolarHBondContact OG1-CA 3.48Å; Q258-A793 HydrophobicContact CG-CB 4.15Å; S261-A793 WeakPolarHBondContact OG-CB 3.48Å; K758-A793 CarbonylContact C-O 2.9Å; K758-A793 VanDerWaalsContact CA-O 3.28Å; K758-A793 WeakPolarHBondContact CA-O 3.33Å; K758-A793 HydrophobicContact CD-CB 3.95Å; C759-A793 PolarHBondContact N-O 3.23Å |
| 794 | V | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 140.9 | 166.1 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | V254 T257 Q258 F269 C759 A761 M783 M787 G796 | V254-V794 HydrophobicContact CG1-CB 3.67Å; V254-V794 HydrophobicContact CG1-CG1 3.53Å; V254-V794 HydrophobicContact CG1-CG2 4.18Å; T257-V794 PolarHBondContact OG1-N 2.82Å; Q258-V794 PolarHBondContact NE2-O 2.96Å; F269-V794 VanDerWaalsContact CZ-O 3.3Å; F269-V794 WeakPolarHBondContact CZ-O 3.13Å; C759-V794 WeakPolarHBondContact O-CA 3.35Å; C759-V794 WeakPolarHBondContact O-CG1 3.49Å; A761-V794 HydrophobicContact CB-CG1 3.89Å; A761-V794 HydrophobicContact CB-CG2 4.02Å; M783-V794 HydrophobicContact CE-CG2 3.7Å; M783-V794 HydrophobicContact SD-CG2 4.5Å; M787-V794 HydrophobicContact CE-CG2 3.83Å; M787-V794 HydrophobicContact SD-CG2 3.44Å; M787-V794 WeakPolarHBondContact SD-CG2 3.28Å; V794-G796 WeakPolarHBondContact CG1-O 3.48Å |
| 795 | D | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | -29.1 | 171.3 | 51.8 | 8.6 | 0 | 0 | 0 | 114 | N265 K268 F269 S274 K758 C759 Y823 | N265-D795 PolarHBondContact ND2-OD2 2.97Å; K268-D795 HydrophobicContact CB-CB 3.67Å; F269-D795 WeakPolarHBondContact CD1-O 3.42Å; F269-D795 WeakPolarHBondContact CE1-O 3.4Å; F269-D795 PolarHBondContact N-O 2.82Å; S274-D795 VanDerWaalsContact CB-CG 3.44Å; S274-D795 PolarHBondContact OG-O 3.3Å; K758-D795 WeakPolarHBondContact CB-OD2 3.4Å; K758-D795 WeakPolarHBondContact CG-OD2 3.43Å; C759-D795 PolarHBondContact O-N 3.35Å; C759-D795 VanDerWaalsContact O-N 3.11Å; C759-D795 VanDerWaalsContact O-OD1 3.12Å; D795-Y823 PolarHBondContact OD2-OH 3.07Å; D795-Y823 VanDerWaalsContact OD2-OH 3.05Å |
| 796 | G | 95.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 14 Ų | 14 | 18% | 0.175 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S274 S760 A761 V794 | S274-G796 PolarHBondContact OG-N 3.37Å; S760-G796 WeakPolarHBondContact CA-O 3.46Å; A761-G796 PolarHBondContact N-O 2.96Å; V794-G796 WeakPolarHBondContact CG1-O 3.48Å |
| 797 | G | 94.2 | Very high | 95 | Very high | 48 Ų | 48 | 13.9 Ų | 13.9 | 50% | 0.495 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | 165.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S760 A761 | S760-G797 WeakPolarHBondContact OG-CA 3.43Å; A761-G797 WeakPolarHBondContact O-CA 3.31Å |
| 798 | K | 94 | Very high | 94.3 | Very high | 43 Ų | 43 | 18.5 Ų | 18.5 | 19% | 0.187 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.2 | -178.9 | -156.5 | 162.9 | -169.4 | 170.3 | 0 | 110.8 | E309 A761 N762 W763 | E309-K798 WeakPolarHBondContact OE1-CD 3.08Å; E309-K798 WeakPolarHBondContact OE1-CE 3.26Å; E309-K798 IonicContact OE1-NZ 3.84Å; E309-K798 PolarHBondContact OE1-NZ 3.23Å; E309-K798 IonicContact OE2-NZ 2.66Å; E309-K798 PolarHBondContact OE2-NZ 3.16Å; A761-K798 PolarHBondContact O-N 3.28Å; N762-K798 CarbonylContact C-O 3.52Å; N762-K798 VanDerWaalsContact CA-O 3.29Å; N762-K798 WeakPolarHBondContact CA-O 3.47Å; W763-K798 PolarHBondContact N-O 3.16Å |
| 799 | D | 94.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.3 | -180 | 63.7 | -79 | 0 | 0 | 0 | 113.5 | H232 F235 W763 L801 | H232-D799 IonicContact CE1-OD1 3.82Å; H232-D799 IonicContact CG-OD1 3.12Å; H232-D799 IonicContact ND1-OD1 2.65Å; H232-D799 PolarHBondContact ND1-OD1 3.19Å; F235-D799 HydrophobicContact CD2-CB 3.95Å; F235-D799 HydrophobicContact CE2-CB 3.67Å; F235-D799 HydrophobicContact CZ-CB 4.41Å; W763-D799 HydrophobicContact CB-CB 4.02Å; W763-D799 CarbonylContact O-C 3.43Å; W763-D799 VanDerWaalsContact O-CA 3.31Å; W763-D799 WeakPolarHBondContact O-CA 3.44Å; D799-L801 HydrophobicContact CB-CD2 4.1Å; D799-L801 HydrophobicContact CB-CG 4.34Å; D799-L801 WeakPolarHBondContact OD2-CD1 3.36Å; D799-L801 VanDerWaalsContact OD2-CG 3.31Å; D799-L801 WeakPolarHBondContact OD2-CG 3.42Å |
| 800 | S | 94.5 | Very high | 93.2 | Very high | 17 Ų | 17 | 20 Ų | 20 | 12% | 0.119 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 90.5 | -178.8 | -158.2 | 0 | 0 | 0 | 0 | 108.2 | N312 W763 W765 S802 M803 | N312-S800 WeakPolarHBondContact ND2-CB 3.34Å; N312-S800 PolarHBondContact ND2-OG 3.05Å; N312-S800 VanDerWaalsContact ND2-OG 3.14Å; W763-S800 PolarHBondContact O-N 3.42Å; W765-S800 PolarHBondContact N-O 2.91Å; S800-S802 PolarHBondContact O-N 3.39Å; S800-M803 WeakPolarHBondContact O-CG 3.46Å |
| 801 | L | 94.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | trans | -92.6 | 11.3 | -164.6 | -56.3 | -176.6 | 0 | 0 | 0 | 115.1 | F234 F235 W765 A767 L776 D799 | F234-L801 HydrophobicContact CB-CD1 3.47Å; F234-L801 VanDerWaalsContact CB-CD1 3.47Å; F234-L801 HydrophobicContact CD1-CD1 4.03Å; F234-L801 HydrophobicContact CG-CD1 3.93Å; F235-L801 HydrophobicContact CE2-CD2 4.34Å; W765-L801 HydrophobicContact CB-CD2 4.41Å; W765-L801 CarbonylContact O-C 3.58Å; W765-L801 WeakPolarHBondContact O-CA 3.08Å; A767-L801 HydrophobicContact CB-CB 4.26Å; A767-L801 HydrophobicContact CB-CD2 4.06Å; A767-L801 PolarHBondContact N-O 2.64Å; L776-L801 HydrophobicContact CD2-CD2 3.74Å; D799-L801 HydrophobicContact CB-CD2 4.1Å; D799-L801 HydrophobicContact CB-CG 4.34Å; D799-L801 WeakPolarHBondContact OD2-CD1 3.36Å; D799-L801 VanDerWaalsContact OD2-CG 3.31Å; D799-L801 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 802 | S | 90.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | trans | -117.6 | 40.8 | -176.5 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | K423 S468 S470 W765 S800 A804 | K423-S802 VanDerWaalsContact CD-O 3.25Å; K423-S802 WeakPolarHBondContact CD-O 3.42Å; K423-S802 PolarHBondContact NZ-O 3.47Å; K423-S802 PolarHBondContact NZ-OG 3.43Å; S468-S802 WeakPolarHBondContact O-CB 3.35Å; S468-S802 PolarHBondContact O-OG 2.86Å; S470-S802 WeakPolarHBondContact O-CB 3.3Å; W765-S802 PolarHBondContact O-N 3.36Å; S800-S802 PolarHBondContact O-N 3.39Å; S802-A804 VanDerWaalsContact C-N 3.26Å; S802-A804 PolarHBondContact O-N 3.34Å | ||
| 803 | M | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -84.3 | 60.4 | -175.3 | -58.8 | -59.7 | -64.2 | 0 | 0 | 113.6 | N312 K423 I425 M764 W765 S800 A814 | N312-M803 HydrophobicContact CB-CE 4.33Å; N312-M803 HydrophobicContact CB-SD 4.14Å; K423-M803 HydrophobicContact CD-CE 4.19Å; K423-M803 HydrophobicContact CD-SD 3.76Å; K423-M803 HydrophobicContact CG-CE 4.33Å; K423-M803 HydrophobicContact CG-SD 4.5Å; K423-M803 PolarHBondContact NZ-SD 2.71Å; K423-M803 VanDerWaalsContact NZ-SD 3.44Å; I425-M803 HydrophobicContact CG1-CE 3.67Å; M764-M803 HydrophobicContact CB-CG 4.04Å; M764-M803 HydrophobicContact CB-SD 4.48Å; W765-M803 PolarHBondContact O-N 2.82Å; S800-M803 WeakPolarHBondContact O-CG 3.46Å; M803-A814 HydrophobicContact CB-CB 3.81Å; M803-A814 WeakPolarHBondContact O-CB 3.43Å; M803-A814 PolarHBondContact O-N 2.79Å | ||
| 804 | A | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 160.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F769 S802 I811 V812 | F769-A804 HydrophobicContact CD2-CB 4.39Å; F769-A804 HydrophobicContact CE2-CB 3.51Å; F769-A804 HydrophobicContact CZ-CB 3.96Å; S802-A804 VanDerWaalsContact C-N 3.26Å; S802-A804 PolarHBondContact O-N 3.34Å; A804-I811 HydrophobicContact CB-CG2 4.35Å; A804-V812 VanDerWaalsContact CA-O 3.28Å; A804-V812 WeakPolarHBondContact CA-O 3.4Å; A804-V812 WeakPolarHBondContact CB-O 3.27Å |
| 805 | A | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F375 V422 V812 | F375-A805 HydrophobicContact CE2-CB 4.01Å; V422-A805 HydrophobicContact CB-CB 4.2Å; V422-A805 HydrophobicContact CG1-CB 3.82Å; A805-V812 PolarHBondContact N-O 3.08Å; A805-V812 PolarHBondContact O-N 2.94Å |
| 806 | N | 87.4 | Confident | 92 | Very high | 34 Ų | 34 | 24 Ų | 24 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 125.9 | 172 | -163.7 | -52 | 0 | 0 | 0 | 110.1 | C372 V472 Q473 E475 G809 | C372-N806 PolarHBondContact SG-O 3.23Å; V472-N806 HydrophobicContact CG1-CB 3.87Å; Q473-N806 PolarHBondContact O-N 2.97Å; E475-N806 HydrophobicContact CG-CB 3.99Å; E475-N806 PolarHBondContact OE1-ND2 2.97Å; N806-G809 WeakPolarHBondContact OD1-CA 3.46Å; N806-G809 PolarHBondContact OD1-N 3.44Å |
| 807 | V | 86.8 | Confident | 92.1 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 99.3 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 109 | N370 C372 V422 G809 E810 V812 | N370-V807 HydrophobicContact CB-CG1 3.9Å; N370-V807 WeakPolarHBondContact O-CG1 3.46Å; C372-V807 HydrophobicContact CB-CG2 4.48Å; V422-V807 HydrophobicContact CG1-CG2 3.83Å; V422-V807 HydrophobicContact CG2-CG2 4.25Å; V807-G809 PolarHBondContact O-N 3.36Å; V807-E810 PolarHBondContact N-O 2.92Å; V807-E810 PolarHBondContact O-N 2.95Å; V807-V812 HydrophobicContact CB-CG2 4.05Å; V807-V812 HydrophobicContact CG2-CB 4.32Å; V807-V812 HydrophobicContact CG2-CG2 3.78Å |
| 808 | S | 83.8 | Confident | 92.3 | Very high | 97 Ų | 97 | 21 Ų | 21 | 68% | 0.678 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 21.5 | 179.3 | -51.7 | 0 | 0 | 0 | 0 | 114.9 | N370 | N370-S808 PolarHBondContact ND2-OG 3.13Š|
| 809 | G | 83.6 | Confident | 92.6 | Very high | 61 Ų | 61 | 18.9 Ų | 18.9 | 63% | 0.629 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -8.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N806 V807 | N806-G809 WeakPolarHBondContact OD1-CA 3.46Å; N806-G809 PolarHBondContact OD1-N 3.44Å; V807-G809 PolarHBondContact O-N 3.36Å |
| 810 | E | 88.6 | Confident | 92.8 | Very high | 62 Ų | 62 | 18.3 Ų | 18.3 | 29% | 0.29 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.4 | 165.6 | -179.7 | 170.3 | -137.9 | 0 | 0 | 109.7 | R411 V807 V812 | R411-E810 IonicContact CZ-OE1 3.38Å; R411-E810 VanDerWaalsContact CZ-OE1 3.25Å; R411-E810 IonicContact CZ-OE2 3.93Å; R411-E810 IonicContact NH1-OE1 3.67Å; R411-E810 PolarHBondContact NH1-OE1 2.7Å; R411-E810 VanDerWaalsContact NH2-CD 3.25Å; R411-E810 IonicContact NH2-OE1 3.73Å; R411-E810 PolarHBondContact NH2-OE1 2.67Å; R411-E810 IonicContact NH2-OE2 2.74Å; R411-E810 PolarHBondContact NH2-OE2 2.88Å; V807-E810 PolarHBondContact N-O 2.92Å; V807-E810 PolarHBondContact O-N 2.95Å; E810-V812 HydrophobicContact CG-CG2 4.41Å |
| 811 | I | 90.8 | Very high | 93 | Very high | 70 Ų | 70 | 17.5 Ų | 17.5 | 36% | 0.359 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.6 | 170.5 | -61.3 | 178.3 | 0 | 0 | 0 | 108.2 | V472 F769 A804 | V472-I811 HydrophobicContact CG2-CD1 4.46Å; F769-I811 HydrophobicContact CE1-CD1 4.05Å; F769-I811 HydrophobicContact CE1-CG2 3.74Å; F769-I811 HydrophobicContact CZ-CD1 4.44Å; F769-I811 HydrophobicContact CZ-CG2 3.61Å; A804-I811 HydrophobicContact CB-CG2 4.35Å |
| 812 | V | 92.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 109 | R418 V422 A804 A805 V807 E810 | R418-V812 HydrophobicContact CB-CG2 4.46Å; R418-V812 HydrophobicContact CG-CG1 4.05Å; R418-V812 HydrophobicContact CG-CG2 4.26Å; V422-V812 HydrophobicContact CG2-CB 4.03Å; V422-V812 HydrophobicContact CG2-CG1 3.7Å; V422-V812 HydrophobicContact CG2-CG2 4.5Å; A804-V812 VanDerWaalsContact CA-O 3.28Å; A804-V812 WeakPolarHBondContact CA-O 3.4Å; A804-V812 WeakPolarHBondContact CB-O 3.27Å; A805-V812 PolarHBondContact N-O 3.08Å; A805-V812 PolarHBondContact O-N 2.94Å; V807-V812 HydrophobicContact CB-CG2 4.05Å; V807-V812 HydrophobicContact CG2-CB 4.32Å; V807-V812 HydrophobicContact CG2-CG2 3.78Å; E810-V812 HydrophobicContact CG-CG2 4.41Å |
| 813 | K | 94.1 | Very high | 93.6 | Very high | 15 Ų | 15 | 16.9 Ų | 16.9 | 7% | 0.065 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 138.6 | 177.4 | -64.7 | 178.1 | -62.3 | -173.7 | 0 | 109.7 | E417 F419 G420 P766 F769 E772 | E417-K813 WeakPolarHBondContact OE1-CE 3.3Å; E417-K813 IonicContact OE1-NZ 3.82Å; E417-K813 PolarHBondContact OE1-NZ 3.46Å; E417-K813 WeakPolarHBondContact OE2-CE 3.4Å; E417-K813 IonicContact OE2-NZ 2.77Å; E417-K813 PolarHBondContact OE2-NZ 3.28Å; F419-K813 CarbonylContact C-O 3.58Å; F419-K813 VanDerWaalsContact CA-O 3.23Å; F419-K813 WeakPolarHBondContact CA-O 3.33Å; F419-K813 HydrophobicContact CD1-CB 4.08Å; F419-K813 HydrophobicContact CE1-CB 4.12Å; F419-K813 HydrophobicContact CE1-CD 4.49Å; G420-K813 PolarHBondContact N-O 3.31Å; P766-K813 HydrophobicContact CB-CB 4.24Å; P766-K813 HydrophobicContact CB-CG 4.26Å; P766-K813 HydrophobicContact CG-CB 4.24Å; F769-K813 HydrophobicContact CB-CD 4.41Å; F769-K813 HydrophobicContact CG-CD 4.31Å; E772-K813 HydrophobicContact CG-CD 4.42Å; E772-K813 IonicContact OE1-NZ 3.63Å |
| 814 | A | 95.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 152.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y421 M803 G816 | Y421-A814 HydrophobicContact CD1-CB 3.78Å; Y421-A814 HydrophobicContact CE1-CB 4.09Å; M803-A814 HydrophobicContact CB-CB 3.81Å; M803-A814 WeakPolarHBondContact O-CB 3.43Å; M803-A814 PolarHBondContact O-N 2.79Å; A814-G816 PolarHBondContact O-N 3.12Å |
| 815 | P | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 136.7 | 162.5 | -24.8 | 34.7 | 0 | 0 | 0 | 111.7 | F408 Y421 P724 L728 T817 | F408-P815 HydrophobicContact CB-CG 4.37Å; F408-P815 HydrophobicContact CD1-CG 3.82Å; F408-P815 HydrophobicContact CE1-CG 4.43Å; F408-P815 HydrophobicContact CG-CG 4.17Å; Y421-P815 HydrophobicContact CE1-CG 4.42Å; Y421-P815 HydrophobicContact CE2-CG 3.95Å; P724-P815 HydrophobicContact CB-CB 4.06Å; L728-P815 HydrophobicContact CD1-CB 4.25Å; L728-P815 HydrophobicContact CD1-CG 4.17Å; L728-P815 HydrophobicContact CD2-CB 3.96Å; L728-P815 HydrophobicContact CD2-CG 4.37Å; L728-P815 HydrophobicContact CG-CB 4.02Å; L728-P815 HydrophobicContact CG-CG 4.46Å; P815-T817 PolarHBondContact O-N 3.41Å; P815-T817 PolarHBondContact O-OG1 3.05Å |
| 816 | G | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 119.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A814 | A814-G816 PolarHBondContact O-N 3.12Š|
| 817 | T | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.4 | -168.8 | -53.1 | 0 | 0 | 0 | 0 | 110 | Y421 I425 P724 M764 P815 V819 | Y421-T817 PolarHBondContact OH-OG1 2.74Å; I425-T817 HydrophobicContact CD1-CG2 3.75Å; P724-T817 HydrophobicContact CB-CG2 4.06Å; P724-T817 WeakPolarHBondContact CB-OG1 3.47Å; P724-T817 HydrophobicContact CG-CG2 4.23Å; M764-T817 HydrophobicContact CE-CG2 4.19Å; M764-T817 PolarHBondContact N-O 3.17Å; M764-T817 PolarHBondContact O-N 3.45Å; P815-T817 PolarHBondContact O-N 3.41Å; P815-T817 PolarHBondContact O-OG1 3.05Å; T817-V819 HydrophobicContact CG2-CG2 4.37Å |
| 818 | L | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.9 | 161.6 | 166.6 | 68.4 | 0 | 0 | 0 | 108.1 | M727 T738 A761 N762 W763 M783 V820 | M727-L818 HydrophobicContact CE-CB 3.7Å; M727-L818 HydrophobicContact SD-CB 4.28Å; T738-L818 HydrophobicContact CG2-CB 4.46Å; T738-L818 HydrophobicContact CG2-CD2 3.98Å; T738-L818 HydrophobicContact CG2-CG 3.93Å; A761-L818 HydrophobicContact CB-CD1 4.09Å; N762-L818 WeakPolarHBondContact O-CA 3.3Å; W763-L818 HydrophobicContact CD2-CD1 3.83Å; W763-L818 HydrophobicContact CE3-CB 4Å; W763-L818 HydrophobicContact CE3-CD1 4.04Å; W763-L818 HydrophobicContact CE3-CG 4.47Å; W763-L818 HydrophobicContact CG-CD1 4.42Å; W763-L818 HydrophobicContact CH2-CB 4.4Å; W763-L818 HydrophobicContact CH2-CD1 3.98Å; W763-L818 HydrophobicContact CH2-CD2 3.78Å; W763-L818 HydrophobicContact CH2-CG 4.26Å; W763-L818 HydrophobicContact CZ2-CD1 3.8Å; W763-L818 HydrophobicContact CZ2-CD2 4.25Å; W763-L818 HydrophobicContact CZ3-CB 3.89Å; W763-L818 HydrophobicContact CZ3-CD1 4.12Å; W763-L818 HydrophobicContact CZ3-CD2 4.1Å; W763-L818 HydrophobicContact CZ3-CG 4.24Å; M783-L818 HydrophobicContact CB-CD2 4.46Å; M783-L818 HydrophobicContact CG-CD2 4.06Å; M783-L818 HydrophobicContact SD-CD1 4.22Å; M783-L818 HydrophobicContact SD-CD2 3.72Å; L818-V820 HydrophobicContact CD1-CG2 4.02Å; L818-V820 HydrophobicContact CD2-CG2 3.81Å; L818-V820 HydrophobicContact CG-CG2 3.88Å |
| 819 | V | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.3 | 163.4 | 178 | 0 | 0 | 0 | 0 | 107.5 | F404 F427 I720 E722 N762 M764 T817 | F404-V819 HydrophobicContact CE1-CG1 3.96Å; F404-V819 HydrophobicContact CE1-CG2 3.8Å; F404-V819 HydrophobicContact CZ-CG2 3.65Å; F427-V819 HydrophobicContact CD2-CB 4.41Å; F427-V819 HydrophobicContact CD2-CG1 4.21Å; F427-V819 HydrophobicContact CE1-CG1 4.18Å; F427-V819 HydrophobicContact CE2-CB 4.22Å; F427-V819 HydrophobicContact CE2-CG1 3.77Å; F427-V819 HydrophobicContact CZ-CG1 3.77Å; I720-V819 HydrophobicContact CG2-CG1 3.81Å; E722-V819 HydrophobicContact CB-CG2 3.97Å; N762-V819 HydrophobicContact CB-CB 4.41Å; N762-V819 PolarHBondContact N-O 2.91Å; N762-V819 PolarHBondContact O-N 3.35Å; M764-V819 HydrophobicContact CE-CB 4.17Å; M764-V819 HydrophobicContact CE-CG2 3.54Å; T817-V819 HydrophobicContact CG2-CG2 4.37Å |
| 820 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.2 | 170.9 | 173.2 | 0 | 0 | 0 | 0 | 108.4 | I720 G721 T738 V739 S742 C759 S760 M783 M787 L818 | I720-V820 CarbonylContact C-O 3.53Å; I720-V820 WeakPolarHBondContact CA-O 3.38Å; G721-V820 PolarHBondContact N-O 3.33Å; G721-V820 PolarHBondContact O-N 2.97Å; T738-V820 HydrophobicContact CG2-CB 4.1Å; T738-V820 HydrophobicContact CG2-CG2 3.83Å; V739-V820 HydrophobicContact CG2-CG2 4.26Å; S742-V820 WeakPolarHBondContact OG-CG1 3.21Å; C759-V820 HydrophobicContact CB-CG1 3.98Å; S760-V820 WeakPolarHBondContact O-CA 3.2Å; M783-V820 HydrophobicContact SD-CG2 4.43Å; M787-V820 HydrophobicContact CE-CG1 4.14Å; M787-V820 HydrophobicContact CE-CG2 4.16Å; L818-V820 HydrophobicContact CD1-CG2 4.02Å; L818-V820 HydrophobicContact CD2-CG2 3.81Å; L818-V820 HydrophobicContact CG-CG2 3.88Å |
| 821 | T | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.9 | 170.6 | -56 | 0 | 0 | 0 | 0 | 108.4 | L306 F427 A429 M718 A719 I720 C759 S760 | L306-T821 HydrophobicContact CD1-CG2 4.13Å; L306-T821 HydrophobicContact CD2-CG2 3.84Å; F427-T821 WeakPolarHBondContact CZ-OG1 3.42Å; A429-T821 HydrophobicContact CB-CG2 4.16Å; M718-T821 HydrophobicContact CG-CG2 3.64Å; M718-T821 HydrophobicContact SD-CG2 3.74Å; A719-T821 CarbonylContact O-C 3.44Å; A719-T821 WeakPolarHBondContact O-CA 3.46Å; I720-T821 HydrophobicContact CG1-CG2 4.1Å; C759-T821 CarbonylContact C-O 3.53Å; C759-T821 VanDerWaalsContact CA-O 3.23Å; C759-T821 WeakPolarHBondContact CA-O 3.36Å; S760-T821 PolarHBondContact N-O 3.35Å; S760-T821 PolarHBondContact O-N 2.89Å |
| 822 | S | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.7 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | M718 A719 S742 K758 | M718-S822 VanDerWaalsContact CA-O 3.27Å; M718-S822 WeakPolarHBondContact CA-O 3.35Å; A719-S822 PolarHBondContact N-O 2.99Å; A719-S822 VanDerWaalsContact N-O 3.09Å; A719-S822 PolarHBondContact O-N 2.92Å; A719-S822 PolarHBondContact O-OG 3.1Å; S742-S822 WeakPolarHBondContact O-CB 3.12Å; S742-S822 PolarHBondContact O-OG 3.23Å; K758-S822 CarbonylContact O-C 3.54Å; K758-S822 WeakPolarHBondContact O-CA 3.48Å |
| 823 | Y | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.2 | 174.3 | 80.6 | -65.8 | 0 | 0 | 0 | 112.9 | S274 A275 I276 I304 L306 A717 K758 D795 | S274-Y823 VanDerWaalsContact C-OH 3.27Å; S274-Y823 PolarHBondContact O-OH 2.96Å; A275-Y823 PolarHBondContact N-OH 3.09Å; I276-Y823 HydrophobicContact CD1-CD2 4.05Å; I276-Y823 HydrophobicContact CD1-CE2 4.02Å; I276-Y823 HydrophobicContact CG1-CD2 4.32Å; I276-Y823 HydrophobicContact CG1-CE2 3.84Å; I276-Y823 HydrophobicContact CG2-CE2 4.3Å; I304-Y823 HydrophobicContact CG2-CD2 3.85Å; I304-Y823 HydrophobicContact CG2-CE2 4.2Å; L306-Y823 HydrophobicContact CB-CD1 3.73Å; L306-Y823 HydrophobicContact CB-CD2 3.7Å; L306-Y823 HydrophobicContact CB-CE1 3.7Å; L306-Y823 HydrophobicContact CB-CE2 3.64Å; L306-Y823 HydrophobicContact CB-CG 3.72Å; L306-Y823 HydrophobicContact CD2-CD1 3.45Å; L306-Y823 VanDerWaalsContact CD2-CD1 3.45Å; L306-Y823 HydrophobicContact CD2-CE1 3.95Å; L306-Y823 HydrophobicContact CD2-CG 3.87Å; L306-Y823 HydrophobicContact CG-CD1 4.17Å; L306-Y823 HydrophobicContact CG-CE1 4.47Å; L306-Y823 HydrophobicContact CG-CG 4.27Å; A717-Y823 VanDerWaalsContact O-CA 3.3Å; A717-Y823 WeakPolarHBondContact O-CA 3.45Å; K758-Y823 HydrophobicContact CB-CD1 4.11Å; K758-Y823 HydrophobicContact CB-CE1 3.61Å; K758-Y823 PolarHBondContact N-O 3.31Å; K758-Y823 VanDerWaalsContact O-CD1 3.31Å; K758-Y823 WeakPolarHBondContact O-CD1 3.2Å; K758-Y823 PolarHBondContact O-N 3.37Å; D795-Y823 PolarHBondContact OD2-OH 3.07Å; D795-Y823 VanDerWaalsContact OD2-OH 3.05Å |
| 824 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 164.8 | -175 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | A716 A717 L746 I751 D756 V757 C826 | A716-V824 WeakPolarHBondContact CA-O 3.17Å; A717-V824 HydrophobicContact CB-CG1 4.31Å; A717-V824 PolarHBondContact N-O 3.24Å; A717-V824 PolarHBondContact O-N 3.18Å; A717-V824 VanDerWaalsContact O-N 3.07Å; L746-V824 HydrophobicContact CD1-CG1 4.29Å; L746-V824 HydrophobicContact CD2-CG1 4.06Å; L746-V824 HydrophobicContact CG-CG1 4.5Å; I751-V824 HydrophobicContact CB-CG1 3.72Å; I751-V824 HydrophobicContact CB-CG2 4.35Å; I751-V824 HydrophobicContact CD1-CG1 4.03Å; I751-V824 HydrophobicContact CD1-CG2 4.29Å; I751-V824 HydrophobicContact CG2-CG1 3.38Å; D756-V824 HydrophobicContact CB-CG2 3.9Å; V757-V824 HydrophobicContact CB-CB 4.44Å; V757-V824 HydrophobicContact CG2-CB 3.93Å; V757-V824 HydrophobicContact CG2-CG1 4.21Å; V757-V824 HydrophobicContact CG2-CG2 3.96Å; V824-C826 PolarHBondContact O-N 2.7Å |
| 825 | Q | 98.7 | Very high | 96.5 | Very high | 20 Ų | 20 | 16 Ų | 16 | 9% | 0.093 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 122 | 168.5 | -65.5 | -176.2 | -107.4 | 0 | 0 | 111.2 | R277 G278 F279 I304 I751 S752 | R277-Q825 WeakPolarHBondContact O-CG 3.47Å; R277-Q825 PolarHBondContact O-OE1 3.48Å; G278-Q825 PolarHBondContact O-NE2 3.12Å; F279-Q825 HydrophobicContact CE2-CB 3.78Å; F279-Q825 HydrophobicContact CE2-CG 4.06Å; F279-Q825 HydrophobicContact CZ-CB 3.83Å; F279-Q825 HydrophobicContact CZ-CG 4.34Å; I304-Q825 HydrophobicContact CD1-CB 4.2Å; I304-Q825 HydrophobicContact CD1-CG 3.76Å; I751-Q825 WeakPolarHBondContact CA-O 3.25Å; S752-Q825 PolarHBondContact N-O 2.78Å |
| 826 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.3 | 167.6 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | F279 V705 G715 A717 P750 V824 | F279-C826 WeakPolarHBondContact CE2-O 3.24Å; F279-C826 WeakPolarHBondContact CZ-O 3.48Å; V705-C826 HydrophobicContact CG1-CB 4.11Å; G715-C826 PolarHBondContact N-O 2.76Å; G715-C826 PolarHBondContact O-N 2.76Å; A717-C826 HydrophobicContact CB-CB 4.17Å; P750-C826 CarbonylContact O-C 3.57Å; P750-C826 VanDerWaalsContact O-CA 3.27Å; P750-C826 WeakPolarHBondContact O-CA 3.49Å; P750-C826 PolarHBondContact O-SG 3.3Å; V824-C826 PolarHBondContact O-N 2.7Å |
| 827 | T | 97.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 16.4 Ų | 16.4 | 35% | 0.35 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -90.6 | -25.3 | -169.9 | 47 | 0 | 0 | 0 | 0 | 114 | F279 P750 I751 | F279-T827 HydrophobicContact CZ-CG2 4.41Å; P750-T827 PolarHBondContact O-N 3.47Å; P750-T827 PolarHBondContact O-OG1 3.29Å; I751-T827 PolarHBondContact O-OG1 3.04Å |
| 828 | D | 94.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 17% | 0.171 | 10% | 0.102 | C | C | . | . | trans | -150.8 | 102.3 | 173.7 | -174.2 | -11.4 | 0 | 0 | 0 | 110.1 | N713 P750 T830 R831 | N713-D828 WeakPolarHBondContact O-CA 3.42Å; P750-D828 WeakPolarHBondContact CG-O 3.46Å; D828-T830 PolarHBondContact O-N 3.4Å; D828-T830 VanDerWaalsContact O-N 3.08Å; D828-T830 WeakPolarHBondContact OD1-CB 3.41Å; D828-T830 PolarHBondContact OD1-N 2.95Å; D828-T830 PolarHBondContact OD1-OG1 3.49Å; D828-T830 PolarHBondContact OD2-OG1 3.33Å; D828-R831 HydrophobicContact CB-CG 4.45Å; D828-R831 PolarHBondContact O-N 3.2Å; D828-R831 VanDerWaalsContact OD2-CD 3.28Å; D828-R831 WeakPolarHBondContact OD2-CD 3.48Å; D828-R831 WeakPolarHBondContact OD2-CG 3.31Å; D828-R831 IonicContact OD2-CZ 3.82Å; D828-R831 IonicContact OD2-NE 2.75Å; D828-R831 PolarHBondContact OD2-NE 3.48Å | ||
| 829 | I | 93.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -8.8 | 179.4 | 68.7 | -177.1 | 0 | 0 | 0 | 113.4 | A688 V705 A707 N713 I832 W1333 | A688-I829 HydrophobicContact CB-CB 4.04Å; V705-I829 HydrophobicContact CG1-CG2 4.05Å; A707-I829 HydrophobicContact CB-CD1 3.61Å; N713-I829 HydrophobicContact CB-CG1 4.36Å; N713-I829 WeakPolarHBondContact O-CG1 3.38Å; N713-I829 PolarHBondContact O-N 2.92Å; I829-I832 WeakPolarHBondContact O-CD1 3.29Å; I829-I832 WeakPolarHBondContact O-CG1 3.49Å; I829-W1333 HydrophobicContact CD1-CD2 3.64Å; I829-W1333 HydrophobicContact CD1-CE3 3.97Å; I829-W1333 HydrophobicContact CD1-CG 3.93Å; I829-W1333 HydrophobicContact CD1-CZ2 4.26Å; I829-W1333 HydrophobicContact CD1-CZ3 4.43Å; I829-W1333 HydrophobicContact CG1-CD2 4.47Å; I829-W1333 HydrophobicContact CG1-CG 4.3Å |
| 830 | T | 89.1 | Confident | 94.3 | Very high | 65 Ų | 65 | 27.8 Ų | 27.8 | 40% | 0.399 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.5 | -177.4 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | N713 D828 | N713-T830 HydrophobicContact CB-CG2 4.43Å; D828-T830 PolarHBondContact O-N 3.4Å; D828-T830 VanDerWaalsContact O-N 3.08Å; D828-T830 WeakPolarHBondContact OD1-CB 3.41Å; D828-T830 PolarHBondContact OD1-N 2.95Å; D828-T830 PolarHBondContact OD1-OG1 3.49Å; D828-T830 PolarHBondContact OD2-OG1 3.33Å |
| 831 | R | 91.4 | Very high | 93.9 | Very high | 95 Ų | 95 | 34.9 Ų | 34.9 | 36% | 0.358 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -109.6 | 18.2 | -176.4 | -60 | 178.8 | -172.6 | -134.1 | 2.4 | 114.6 | P750 D828 I833 I894 S895 | P750-R831 HydrophobicContact CG-CB 3.78Å; D828-R831 HydrophobicContact CB-CG 4.45Å; D828-R831 PolarHBondContact O-N 3.2Å; D828-R831 VanDerWaalsContact OD2-CD 3.28Å; D828-R831 WeakPolarHBondContact OD2-CD 3.48Å; D828-R831 WeakPolarHBondContact OD2-CG 3.31Å; D828-R831 IonicContact OD2-CZ 3.82Å; D828-R831 IonicContact OD2-NE 2.75Å; D828-R831 PolarHBondContact OD2-NE 3.48Å; R831-I833 PolarHBondContact O-N 3.08Å; R831-I894 HydrophobicContact CB-CG2 4.4Å; R831-I894 WeakPolarHBondContact O-CG2 3.46Å; R831-S895 PolarHBondContact NH1-O 3.2Å; R831-S895 VanDerWaalsContact NH1-O 3.13Å |
| 832 | I | 94.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | trans | -66.5 | 128.8 | -178.5 | -50.2 | 161.4 | 0 | 0 | 0 | 109.6 | A688 M689 V703 V705 I829 | A688-I832 HydrophobicContact CB-CD1 4.1Å; M689-I832 HydrophobicContact CB-CD1 4.13Å; M689-I832 HydrophobicContact CB-CG2 4.34Å; M689-I832 HydrophobicContact CE-CB 4.01Å; M689-I832 HydrophobicContact CE-CD1 4.44Å; M689-I832 HydrophobicContact CE-CG2 3.78Å; M689-I832 HydrophobicContact CG-CG2 4.28Å; V703-I832 HydrophobicContact CG1-CG2 4.16Å; V705-I832 HydrophobicContact CB-CD1 3.64Å; V705-I832 HydrophobicContact CG1-CD1 3.75Å; V705-I832 HydrophobicContact CG2-CD1 3.75Å; V705-I832 HydrophobicContact CG2-CG1 4.2Å; V705-I832 HydrophobicContact CG2-CG2 4.28Å; I829-I832 WeakPolarHBondContact O-CD1 3.29Å; I829-I832 WeakPolarHBondContact O-CG1 3.49Å | ||
| 833 | I | 95.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.108 | 18% | 0.176 | C | C | . | . | trans | -84.2 | 150 | 176.4 | -61.3 | -55.4 | 0 | 0 | 0 | 110.4 | F748 R831 I894 V901 | F748-I833 HydrophobicContact CB-CB 4.05Å; F748-I833 HydrophobicContact CD1-CB 4Å; F748-I833 HydrophobicContact CD1-CG2 3.79Å; F748-I833 HydrophobicContact CE1-CG2 4.49Å; F748-I833 HydrophobicContact CG-CB 4.44Å; F748-I833 HydrophobicContact CG-CG2 4.5Å; F748-I833 PolarHBondContact O-N 3.34Å; R831-I833 PolarHBondContact O-N 3.08Å; I833-I894 HydrophobicContact CG1-CD1 3.94Å; I833-I894 HydrophobicContact CG1-CG1 3.71Å; I833-I894 HydrophobicContact CG1-CG2 4.28Å; I833-V901 HydrophobicContact CD1-CB 4.18Å; I833-V901 HydrophobicContact CD1-CG1 4.01Å; I833-V901 HydrophobicContact CG1-CG1 4.15Å; I833-V901 HydrophobicContact CG2-CG1 4Å | ||
| 834 | T | 95.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | trans | -131.4 | 150.7 | -177.6 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | M689 V693 A836 K838 A903 G904 | M689-T834 HydrophobicContact CE-CG2 3.65Å; M689-T834 HydrophobicContact SD-CG2 4.14Å; V693-T834 HydrophobicContact CG1-CG2 3.86Å; T834-A836 PolarHBondContact O-N 3.07Å; T834-K838 PolarHBondContact OG1-NZ 3.27Å; T834-A903 VanDerWaalsContact O-CA 3.24Å; T834-A903 WeakPolarHBondContact O-CA 3.41Å; T834-A903 VanDerWaalsContact O-CB 3.25Å; T834-A903 WeakPolarHBondContact O-CB 3.46Å; T834-G904 CarbonylContact C-O 3.57Å; T834-G904 PolarHBondContact O-N 2.7Å; T834-G904 VanDerWaalsContact O-N 3.14Å | ||
| 835 | P | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -60.4 | -25.1 | 170.2 | -30.5 | 39 | 0 | 0 | 0 | 114.7 | V700 D702 L837 G904 H905 M919 | V700-P835 HydrophobicContact CG2-CB 4.05Å; V700-P835 HydrophobicContact CG2-CG 4.34Å; D702-P835 VanDerWaalsContact OD2-CD 3.29Å; D702-P835 WeakPolarHBondContact OD2-CD 3.16Å; D702-P835 WeakPolarHBondContact OD2-CG 3.38Å; P835-L837 PolarHBondContact O-N 3.35Å; P835-G904 VanDerWaalsContact CA-O 3.22Å; P835-G904 WeakPolarHBondContact CA-O 3.4Å; P835-G904 VanDerWaalsContact N-O 3.08Å; P835-H905 HydrophobicContact CB-CB 3.87Å; P835-H905 HydrophobicContact CG-CB 3.84Å; P835-H905 WeakPolarHBondContact CG-ND1 3.31Å; P835-M919 HydrophobicContact CB-CG 4.25Å; P835-M919 WeakPolarHBondContact O-CA 3.05Å |
| 836 | A | 91.9 | Very high | 93.3 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -58.4 | 97.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V693 T834 K838 A922 | V693-A836 HydrophobicContact CB-CB 4.36Å; V693-A836 HydrophobicContact CG2-CB 4.4Å; T834-A836 PolarHBondContact O-N 3.07Å; A836-K838 PolarHBondContact O-N 3.21Å; A836-K838 PolarHBondContact O-NZ 2.76Å; A836-A922 HydrophobicContact CB-CB 3.84Å |
| 837 | L | 91.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -54.7 | 135.4 | 178.5 | -65.2 | 169.2 | 0 | 0 | 0 | 111.1 | P835 L844 A903 M919 G923 C925 M927 Q953 T979 | P835-L837 PolarHBondContact O-N 3.35Å; L837-L844 HydrophobicContact CD2-CD2 4.07Å; L837-A903 HydrophobicContact CD2-CB 4.15Å; L837-M919 HydrophobicContact CD1-CB 3.97Å; L837-M919 WeakPolarHBondContact CD1-O 3.31Å; L837-M919 HydrophobicContact CD2-CB 4.2Å; L837-M919 HydrophobicContact CD2-CE 3.75Å; L837-M919 HydrophobicContact CD2-SD 4.33Å; L837-M919 HydrophobicContact CG-CB 3.88Å; L837-M919 WeakPolarHBondContact CG-O 3.31Å; L837-G923 VanDerWaalsContact O-CA 3.24Å; L837-G923 WeakPolarHBondContact O-CA 3.34Å; L837-C925 HydrophobicContact CB-CB 4.15Å; L837-C925 HydrophobicContact CD1-CB 4.23Å; L837-C925 PolarHBondContact O-SG 2.84Å; L837-M927 HydrophobicContact CD1-CE 3.52Å; L837-Q953 HydrophobicContact CD2-CB 3.83Å; L837-Q953 HydrophobicContact CD2-CG 4Å; L837-T979 HydrophobicContact CD1-CG2 3.97Å; L837-T979 HydrophobicContact CD2-CG2 4.11Å; L837-T979 HydrophobicContact CG-CG2 4.5Å | ||
| 838 | K | 87.8 | Confident | 93.1 | Very high | 77 Ų | 77 | 32.5 Ų | 32.5 | 34% | 0.335 | 16% | 0.156 | S | C | . | . | trans | -81.4 | 135.9 | 175.4 | -50.2 | -54.8 | -177.9 | -75.3 | 0 | 108.2 | T834 A836 V840 Y902 Q953 | T834-K838 PolarHBondContact OG1-NZ 3.27Å; A836-K838 PolarHBondContact O-N 3.21Å; A836-K838 PolarHBondContact O-NZ 2.76Å; K838-V840 HydrophobicContact CB-CG2 4.24Å; K838-V840 PolarHBondContact O-N 3.29Å; K838-Y902 WeakPolarHBondContact CE-O 3.23Å; K838-Y902 WeakPolarHBondContact CG-O 3.46Å; K838-Y902 PolarHBondContact NZ-O 2.7Å; K838-Q953 PolarHBondContact O-NE2 2.92Å | ||
| 839 | R | 83.7 | Confident | 93.1 | Very high | 111 Ų | 111 | 31.1 Ų | 31.1 | 42% | 0.419 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -75.6 | 66.8 | -173.9 | -67.8 | 178.3 | -174.7 | 172 | 3.2 | 111.9 | G923 C925 | R839-G923 PolarHBondContact NE-O 2.66Å; R839-G923 PolarHBondContact NH2-O 2.78Å; R839-C925 VanDerWaalsContact CG-SG 3.56Å |
| 840 | V | 85.7 | Confident | 92.8 | Very high | 51 Ų | 51 | 30.9 Ų | 30.9 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -139.8 | 162.2 | -176.7 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | K838 A842 Y902 T979 | K838-V840 HydrophobicContact CB-CG2 4.24Å; K838-V840 PolarHBondContact O-N 3.29Å; V840-A842 HydrophobicContact CG2-CB 4.17Å; V840-A842 PolarHBondContact O-N 3.23Å; V840-Y902 HydrophobicContact CG2-CD2 3.71Å; V840-Y902 HydrophobicContact CG2-CE2 3.63Å; V840-T979 PolarHBondContact O-OG1 3.5Å |
| 841 | Q | 89.8 | Confident | 92.8 | Very high | 149 Ų | 149 | 27.9 Ų | 27.9 | 70% | 0.696 | 13% | 0.129 | S | C | * | . | trans | -74.1 | 114.9 | 167 | -170.5 | 171.7 | 3.1 | 0 | 0 | 109.1 | T979 | Q841-T979 WeakPolarHBondContact CA-O 3.41Š| ||
| 842 | A | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 164.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V840 Y902 Q953 V954 Y978 T979 | V840-A842 HydrophobicContact CG2-CB 4.17Å; V840-A842 PolarHBondContact O-N 3.23Å; A842-Y902 HydrophobicContact CB-CD2 4.05Å; A842-Y902 HydrophobicContact CB-CE2 4.32Å; A842-Q953 HydrophobicContact CB-CG 3.72Å; A842-V954 WeakPolarHBondContact CB-O 3.31Å; A842-Y978 CarbonylContact O-C 3.53Å; A842-Y978 VanDerWaalsContact O-CA 3.24Å; A842-Y978 WeakPolarHBondContact O-CA 3.44Å; A842-Y978 VanDerWaalsContact O-CB 3.3Å; A842-Y978 WeakPolarHBondContact O-CB 3.17Å; A842-T979 PolarHBondContact N-O 2.81Å; A842-T979 PolarHBondContact N-OG1 2.97Å; A842-T979 PolarHBondContact O-N 3.3Å |
| 843 | T | 96.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 14% | 0.135 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.7 | -175.9 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | I845 V954 V959 V975 | T843-I845 HydrophobicContact CG2-CG1 4.46Å; T843-V954 PolarHBondContact N-O 2.85Å; T843-V954 PolarHBondContact O-N 2.85Å; T843-V959 HydrophobicContact CG2-CG1 4.19Å; T843-V959 HydrophobicContact CG2-CG2 3.93Å; T843-V975 HydrophobicContact CG2-CB 4.49Å; T843-V975 HydrophobicContact CG2-CG1 3.62Å; T843-V975 HydrophobicContact CG2-CG2 4.12Å |
| 844 | L | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.7 | 175.8 | -62.1 | 171.8 | 0 | 0 | 0 | 109.5 | L837 L916 M927 V951 L952 Q953 V976 G977 T979 | L837-L844 HydrophobicContact CD2-CD2 4.07Å; L844-L916 HydrophobicContact CD1-CD2 4.26Å; L844-M927 HydrophobicContact CD1-CE 3.81Å; L844-M927 HydrophobicContact CD1-CG 3.78Å; L844-M927 HydrophobicContact CD1-SD 3.99Å; L844-V951 HydrophobicContact CB-CG1 4.43Å; L844-V951 HydrophobicContact CD2-CG1 4.35Å; L844-L952 WeakPolarHBondContact CA-O 3.38Å; L844-Q953 HydrophobicContact CD2-CB 4.12Å; L844-Q953 HydrophobicContact CD2-CG 4.31Å; L844-V976 HydrophobicContact CB-CG2 4.03Å; L844-V976 PolarHBondContact O-N 2.88Å; L844-G977 PolarHBondContact N-O 3.32Å; L844-G977 PolarHBondContact O-N 3.47Å; L844-T979 HydrophobicContact CD1-CG2 4.33Å; L844-T979 HydrophobicContact CD2-CG2 4.09Å; L844-T979 HydrophobicContact CG-CG2 4.3Å |
| 845 | I | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.5 | 177.6 | -59 | 175.8 | 0 | 0 | 0 | 108.3 | T843 V847 V951 L952 V954 V959 V962 L963 E974 V975 | T843-I845 HydrophobicContact CG2-CG1 4.46Å; I845-V847 HydrophobicContact CG2-CG2 4.12Å; I845-V951 CarbonylContact O-C 3.52Å; I845-V951 WeakPolarHBondContact O-CA 3.3Å; I845-L952 PolarHBondContact N-O 2.87Å; I845-L952 PolarHBondContact O-N 3.46Å; I845-V954 HydrophobicContact CD1-CB 4.25Å; I845-V954 HydrophobicContact CD1-CG1 4.48Å; I845-V954 HydrophobicContact CD1-CG2 4.05Å; I845-V959 HydrophobicContact CD1-CG1 4.31Å; I845-V962 HydrophobicContact CD1-CB 4.15Å; I845-V962 HydrophobicContact CD1-CG1 3.72Å; I845-L963 HydrophobicContact CD1-CD2 4.07Å; I845-L963 HydrophobicContact CD1-CG 4.06Å; I845-L963 HydrophobicContact CG1-CD2 4.36Å; I845-L963 HydrophobicContact CG2-CD2 3.84Å; I845-E974 CarbonylContact C-O 3.49Å; I845-E974 VanDerWaalsContact CA-O 3.32Å; I845-E974 WeakPolarHBondContact CA-O 3.43Å; I845-V975 HydrophobicContact CG1-CG2 4.48Å |
| 846 | Y | 96.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.9 | 171.8 | 173.9 | -146.7 | 0 | 0 | 0 | 109.3 | R848 L853 V907 L912 F935 I950 V951 S973 E974 V976 | Y846-R848 PolarHBondContact OH-NE 3.13Å; Y846-R848 PolarHBondContact OH-NH2 3.23Å; Y846-L853 HydrophobicContact CE1-CD2 4.4Å; Y846-V907 HydrophobicContact CD2-CG2 4.47Å; Y846-V907 HydrophobicContact CE2-CG2 3.97Å; Y846-L912 HydrophobicContact CD1-CD1 4.08Å; Y846-L912 HydrophobicContact CD1-CD2 3.85Å; Y846-L912 HydrophobicContact CD2-CD1 4Å; Y846-L912 HydrophobicContact CE1-CD1 4.25Å; Y846-L912 HydrophobicContact CE1-CD2 3.82Å; Y846-L912 HydrophobicContact CE2-CD1 4.22Å; Y846-L912 HydrophobicContact CG-CD1 3.97Å; Y846-F935 HydrophobicContact CD1-CE1 4.38Å; Y846-F935 AromaticContact CD1-CZ 3.78Å; Y846-F935 HydrophobicContact CD1-CZ 3.78Å; Y846-F935 HydrophobicContact CE1-CE1 4.06Å; Y846-F935 AromaticContact CE1-CZ 3.93Å; Y846-F935 HydrophobicContact CE1-CZ 3.93Å; Y846-I950 WeakPolarHBondContact CD2-O 3.08Å; Y846-V951 HydrophobicContact CD2-CG2 4.14Å; Y846-S973 CarbonylContact O-C 3.54Å; Y846-S973 WeakPolarHBondContact O-CA 3.21Å; Y846-E974 PolarHBondContact N-O 2.96Å; Y846-E974 PolarHBondContact O-N 3.35Å; Y846-V976 HydrophobicContact CD1-CG1 4.32Å; Y846-V976 HydrophobicContact CG-CG1 4.46Å |
| 847 | V | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.8 | -176.2 | -172 | 0 | 0 | 0 | 0 | 110 | I845 F849 A886 G949 I950 Y966 V971 | I845-V847 HydrophobicContact CG2-CG2 4.12Å; V847-F849 HydrophobicContact CB-CE2 4.3Å; V847-F849 HydrophobicContact CG1-CD2 4.09Å; V847-F849 HydrophobicContact CG1-CE2 3.88Å; V847-A886 HydrophobicContact CG1-CB 4.44Å; V847-G949 WeakPolarHBondContact O-CA 3.42Å; V847-I950 HydrophobicContact CB-CG1 3.94Å; V847-I950 HydrophobicContact CG2-CG1 4.27Å; V847-I950 PolarHBondContact N-O 3.1Å; V847-I950 PolarHBondContact O-N 3.46Å; V847-I950 VanDerWaalsContact O-N 3.09Å; V847-Y966 HydrophobicContact CG1-CD1 3.95Å; V847-Y966 HydrophobicContact CG1-CE1 3.83Å; V847-Y966 HydrophobicContact CG1-CG 4.43Å; V847-Y966 HydrophobicContact CG2-CD2 4.28Å; V847-Y966 HydrophobicContact CG2-CE1 4.43Å; V847-Y966 HydrophobicContact CG2-CE2 3.89Å; V847-V971 HydrophobicContact CG1-CG1 3.58Å |
| 848 | R | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 124 | 173 | -78.4 | -88 | 81.9 | -100.6 | -12.2 | 110.7 | Y846 G850 S851 L853 E947 A948 P972 | Y846-R848 PolarHBondContact OH-NE 3.13Å; Y846-R848 PolarHBondContact OH-NH2 3.23Å; R848-G850 PolarHBondContact O-N 3.15Å; R848-S851 VanDerWaalsContact CB-O 3.25Å; R848-S851 WeakPolarHBondContact CB-O 3.39Å; R848-S851 PolarHBondContact NH1-OG 2.91Å; R848-L853 HydrophobicContact CG-CD2 3.44Å; R848-L853 VanDerWaalsContact CG-CD2 3.44Å; R848-L853 HydrophobicContact CG-CG 3.93Å; R848-E947 VanDerWaalsContact NH2-C 3.32Å; R848-E947 PolarHBondContact NH2-O 3.21Å; R848-A948 VanDerWaalsContact CZ-O 3.28Å; R848-A948 PolarHBondContact NH1-O 3.45Å; R848-A948 VanDerWaalsContact NH2-C 3.33Å; R848-A948 PolarHBondContact NH2-O 3.49Å; R848-A948 VanDerWaalsContact NH2-O 3.09Å; R848-P972 HydrophobicContact CB-CB 4.06Å; R848-P972 HydrophobicContact CB-CG 4.12Å; R848-P972 HydrophobicContact CG-CB 4.3Å; R848-P972 PolarHBondContact N-O 3.45Å |
| 849 | F | 95.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -95.4 | 83.6 | 171.5 | -84.9 | -130.5 | 0 | 0 | 0 | 110.3 | T744 V747 V847 F883 A886 F887 A948 I950 | T744-F849 HydrophobicContact CG2-CB 4.11Å; T744-F849 HydrophobicContact CG2-CD1 3.81Å; T744-F849 HydrophobicContact CG2-CE1 4.38Å; T744-F849 HydrophobicContact CG2-CG 4Å; V747-F849 HydrophobicContact CG2-CE1 4.45Å; V747-F849 HydrophobicContact CG2-CZ 4.42Å; V847-F849 HydrophobicContact CB-CE2 4.3Å; V847-F849 HydrophobicContact CG1-CD2 4.09Å; V847-F849 HydrophobicContact CG1-CE2 3.88Å; F849-F883 HydrophobicContact CB-CD2 3.64Å; F849-F883 HydrophobicContact CB-CE2 3.81Å; F849-F883 HydrophobicContact CB-CG 4.32Å; F849-F883 HydrophobicContact CD1-CD1 4.08Å; F849-F883 AromaticContact CD1-CD2 3.92Å; F849-F883 HydrophobicContact CD1-CD2 3.92Å; F849-F883 AromaticContact CD1-CE1 3.94Å; F849-F883 HydrophobicContact CD1-CE1 3.94Å; F849-F883 AromaticContact CD1-CE2 3.77Å; F849-F883 HydrophobicContact CD1-CE2 3.77Å; F849-F883 HydrophobicContact CD1-CG 4.04Å; F849-F883 AromaticContact CD1-CZ 3.75Å; F849-F883 HydrophobicContact CD1-CZ 3.75Å; F849-F883 HydrophobicContact CE1-CE1 4.45Å; F849-F883 HydrophobicContact CE1-CZ 4.5Å; F849-F883 HydrophobicContact CG-CD2 4.3Å; F849-F883 HydrophobicContact CG-CE2 4.3Å; F849-A886 HydrophobicContact CD1-CB 3.96Å; F849-A886 HydrophobicContact CD2-CB 3.6Å; F849-A886 HydrophobicContact CE1-CB 3.86Å; F849-A886 HydrophobicContact CE2-CB 3.45Å; F849-A886 VanDerWaalsContact CE2-CB 3.45Å; F849-A886 HydrophobicContact CG-CB 3.85Å; F849-A886 HydrophobicContact CZ-CB 3.6Å; F849-F887 HydrophobicContact CE1-CB 3.99Å; F849-F887 HydrophobicContact CE1-CD2 4.46Å; F849-A948 WeakPolarHBondContact CA-O 3.43Å; F849-A948 WeakPolarHBondContact CB-O 3.4Å; F849-A948 PolarHBondContact N-O 3.01Å; F849-A948 VanDerWaalsContact N-O 3.09Å; F849-I950 HydrophobicContact CD2-CG1 4.39Å; F849-I950 HydrophobicContact CE2-CD1 3.61Å; F849-I950 HydrophobicContact CE2-CG1 3.65Å; F849-I950 HydrophobicContact CE2-CG2 4.32Å; F849-I950 HydrophobicContact CZ-CD1 3.79Å; F849-I950 HydrophobicContact CZ-CG1 4.28Å; F849-I950 HydrophobicContact CZ-CG2 4.49Å |
| 850 | G | 88.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 90 | 10.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | R848 E878 K879 | R848-G850 PolarHBondContact O-N 3.15Å; G850-E878 PolarHBondContact O-N 3.32Å; G850-K879 VanDerWaalsContact O-CB 3.29Å; G850-K879 WeakPolarHBondContact O-CB 3.26Å; G850-K879 PolarHBondContact O-N 3.24Å |
| 851 | S | 88.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -127.5 | 170.7 | 160.6 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | R848 E947 | R848-S851 VanDerWaalsContact CB-O 3.25Å; R848-S851 WeakPolarHBondContact CB-O 3.39Å; R848-S851 PolarHBondContact NH1-OG 2.91Å; S851-E947 WeakPolarHBondContact CB-OE2 3.46Å; S851-E947 PolarHBondContact OG-OE2 3.35Å |
| 852 | S | 83.6 | Confident | 91.9 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 11% | 0.105 | 7% | 0.071 | C | C | . | . | trans | -93.9 | 158 | 177.5 | 21.6 | 0 | 0 | 0 | 0 | 112.2 | E854 K855 K879 | S852-E854 WeakPolarHBondContact CB-OE1 3.39Å; S852-E854 PolarHBondContact O-N 3.03Å; S852-E854 VanDerWaalsContact O-N 3.14Å; S852-E854 PolarHBondContact OG-OE1 3.1Å; S852-K855 WeakPolarHBondContact O-CB 3.48Å; S852-K855 PolarHBondContact O-N 3.38Å; S852-K879 PolarHBondContact OG-NZ 3.01Å | ||
| 853 | L | 82.4 | Confident | 92 | Very high | 22 Ų | 22 | 14.5 Ų | 14.5 | 12% | 0.115 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.7 | -177 | -62.1 | 161.6 | 0 | 0 | 0 | 113.7 | Y846 R848 N856 F935 P972 E974 | Y846-L853 HydrophobicContact CE1-CD2 4.4Å; R848-L853 HydrophobicContact CG-CD2 3.44Å; R848-L853 VanDerWaalsContact CG-CD2 3.44Å; R848-L853 HydrophobicContact CG-CG 3.93Å; L853-N856 PolarHBondContact O-ND2 3.43Å; L853-F935 HydrophobicContact CB-CD1 4.45Å; L853-F935 HydrophobicContact CB-CE1 4.02Å; L853-F935 HydrophobicContact CB-CZ 4.49Å; L853-F935 HydrophobicContact CD2-CE1 3.72Å; L853-F935 HydrophobicContact CD2-CZ 3.63Å; L853-F935 HydrophobicContact CG-CE1 4.45Å; L853-P972 HydrophobicContact CD1-CB 3.86Å; L853-P972 HydrophobicContact CD2-CB 4.48Å; L853-P972 HydrophobicContact CG-CB 3.83Å; L853-E974 HydrophobicContact CD1-CG 3.68Å |
| 854 | E | 81.6 | Confident | 91.8 | Very high | 129 Ų | 129 | 13.4 Ų | 13.4 | 60% | 0.603 | 7% | 0.065 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.3 | 173.6 | 72.5 | -143.9 | 151.9 | 0 | 0 | 113.5 | S852 N856 | S852-E854 WeakPolarHBondContact CB-OE1 3.39Å; S852-E854 PolarHBondContact O-N 3.03Å; S852-E854 VanDerWaalsContact O-N 3.14Å; S852-E854 PolarHBondContact OG-OE1 3.1Å; E854-N856 PolarHBondContact O-N 3.19Å |
| 855 | K | 82.2 | Confident | 91.7 | Very high | 55 Ų | 55 | 13.5 Ų | 13.5 | 24% | 0.239 | 7% | 0.066 | C | C | . | . | trans | -90.8 | 88.3 | -179.4 | -82.9 | -92.4 | -176.1 | 154.3 | 0 | 109.2 | S852 R857 E873 E878 E947 | S852-K855 WeakPolarHBondContact O-CB 3.48Å; S852-K855 PolarHBondContact O-N 3.38Å; K855-R857 HydrophobicContact CD-CG 4.43Å; K855-E873 IonicContact NZ-OE1 2.76Å; K855-E873 PolarHBondContact NZ-OE1 2.94Å; K855-E878 VanDerWaalsContact CE-OE1 3.28Å; K855-E878 WeakPolarHBondContact CE-OE1 3.32Å; K855-E878 IonicContact NZ-OE1 3.98Å; K855-E878 PolarHBondContact NZ-OE1 3.25Å; K855-E947 WeakPolarHBondContact O-CG 3.41Å | ||
| 856 | N | 89.7 | Confident | 91.5 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 9% | 0.091 | 7% | 0.067 | C | C | . | . | trans | -109.9 | 76.4 | 179.6 | -60.9 | -68 | 0 | 0 | 0 | 109.7 | L853 E854 S937 E941 A945 | L853-N856 PolarHBondContact O-ND2 3.43Å; E854-N856 PolarHBondContact O-N 3.19Å; N856-S937 PolarHBondContact ND2-OG 3.33Å; N856-E941 HydrophobicContact CB-CB 4.03Å; N856-A945 HydrophobicContact CB-CB 4.08Å | ||
| 857 | R | 92.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 15.4 Ų | 15.4 | 6% | 0.064 | 8% | 0.076 | C | C | . | . | trans | -92.8 | 128.5 | -169.4 | -69.4 | 176.1 | -66.8 | -163.9 | -6.1 | 112.4 | K855 E873 P874 D876 E878 E947 | K855-R857 HydrophobicContact CD-CG 4.43Å; R857-E873 WeakPolarHBondContact CB-O 3.29Å; R857-E873 WeakPolarHBondContact CD-OE1 3.44Å; R857-E873 HydrophobicContact CG-CB 4.43Å; R857-E873 HydrophobicContact CG-CG 4.34Å; R857-E873 IonicContact NH1-OE1 3.85Å; R857-P874 WeakPolarHBondContact CD-O 3.25Å; R857-P874 PolarHBondContact NE-O 3.11Å; R857-D876 VanDerWaalsContact NH2-N 3.11Å; R857-D876 PolarHBondContact NH2-O 3.45Å; R857-E878 IonicContact CZ-OE1 3.58Å; R857-E878 IonicContact NH1-OE1 3.66Å; R857-E878 PolarHBondContact NH1-OE1 2.9Å; R857-E878 IonicContact NH2-OE1 3.44Å; R857-E947 WeakPolarHBondContact CB-OE1 3.05Å; R857-E947 IonicContact CZ-OE1 2.76Å; R857-E947 VanDerWaalsContact CZ-OE1 3.25Å; R857-E947 IonicContact CZ-OE2 2.97Å; R857-E947 IonicContact NE-OE1 3.3Å; R857-E947 PolarHBondContact NE-OE1 2.93Å; R857-E947 IonicContact NH2-OE1 2.7Å; R857-E947 PolarHBondContact NH2-OE1 3.1Å; R857-E947 IonicContact NH2-OE2 3.7Å; R857-E947 PolarHBondContact NH2-OE2 2.96Å | ||
| 858 | L | 93.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | trans | -101 | 0.3 | -178.2 | -65.3 | 179.9 | 0 | 0 | 0 | 114.3 | Y648 G860 S861 L863 F871 E941 F944 | Y648-L858 HydrophobicContact CD1-CD1 3.93Å; Y648-L858 HydrophobicContact CD2-CD1 3.73Å; Y648-L858 HydrophobicContact CE1-CD1 4.42Å; Y648-L858 HydrophobicContact CE2-CD1 4.23Å; Y648-L858 HydrophobicContact CG-CD1 3.58Å; L858-G860 PolarHBondContact O-N 3.35Å; L858-S861 WeakPolarHBondContact O-CB 3.48Å; L858-S861 PolarHBondContact O-N 3.35Å; L858-S861 PolarHBondContact O-OG 3.45Å; L858-L863 HydrophobicContact CD1-CD2 4.18Å; L858-L863 HydrophobicContact CD2-CD2 4.34Å; L858-F871 HydrophobicContact CB-CD2 4.06Å; L858-E941 HydrophobicContact CD1-CB 4.44Å; L858-E941 HydrophobicContact CD1-CG 3.98Å; L858-F944 VanDerWaalsContact CD2-C 3.46Å; L858-F944 HydrophobicContact CD2-CB 3.77Å; L858-F944 WeakPolarHBondContact CD2-O 3.29Å | ||
| 859 | G | 92.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -64.5 | 128.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S861 L870 E873 P874 | G859-S861 PolarHBondContact O-N 3.01Å; G859-L870 CarbonylContact C-O 3.53Å; G859-L870 VanDerWaalsContact CA-O 3.28Å; G859-L870 WeakPolarHBondContact CA-O 3.5Å; G859-E873 WeakPolarHBondContact CA-O 3.42Å; G859-E873 PolarHBondContact N-O 2.87Å; G859-P874 VanDerWaalsContact O-CA 3.28Å; G859-P874 WeakPolarHBondContact O-CA 3.36Å; G859-P874 WeakPolarHBondContact O-CB 3.34Å |
| 860 | G | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 31.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K726 L729 L858 L870 | K726-G860 WeakPolarHBondContact CG-O 3.46Å; K726-G860 PolarHBondContact NZ-O 2.91Å; K726-G860 VanDerWaalsContact NZ-O 3.12Å; L729-G860 VanDerWaalsContact CD1-N 3.29Å; L858-G860 PolarHBondContact O-N 3.35Å; G860-L870 PolarHBondContact N-O 3.12Å |
| 861 | S | 96.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | trans | -86.6 | 160.5 | 174 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | L858 G859 L863 A864 Q865 E946 | L858-S861 WeakPolarHBondContact O-CB 3.48Å; L858-S861 PolarHBondContact O-N 3.35Å; L858-S861 PolarHBondContact O-OG 3.45Å; G859-S861 PolarHBondContact O-N 3.01Å; S861-L863 PolarHBondContact O-N 2.84Å; S861-A864 WeakPolarHBondContact O-CB 3.09Å; S861-A864 PolarHBondContact O-N 2.89Å; S861-A864 PolarHBondContact OG-N 3Å; S861-Q865 PolarHBondContact O-N 3.33Å; S861-E946 VanDerWaalsContact CA-CD 3.48Å; S861-E946 WeakPolarHBondContact CA-OE1 3.43Å; S861-E946 WeakPolarHBondContact CA-OE2 3.37Å; S861-E946 VanDerWaalsContact CB-CD 3.5Å; S861-E946 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 862 | A | 96.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.6 | -39.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V663 L666 V669 Q865 C866 E946 | V663-A862 HydrophobicContact CG1-CB 4.19Å; L666-A862 HydrophobicContact CD2-CB 3.56Å; V669-A862 HydrophobicContact CG2-CB 3.99Å; A862-Q865 PolarHBondContact O-N 3.09Å; A862-C866 WeakPolarHBondContact O-CB 3.28Å; A862-C866 PolarHBondContact O-N 3.45Å; A862-C866 PolarHBondContact O-SG 3.08Å; A862-C866 VanDerWaalsContact O-SG 3.34Å; A862-E946 WeakPolarHBondContact CB-OE1 3.43Å; A862-E946 PolarHBondContact N-OE1 3.4Å |
| 863 | L | 95.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 174 | 178.8 | 63.1 | 0 | 0 | 0 | 111.8 | Y648 A659 V663 L858 S861 C866 L867 F944 | Y648-L863 HydrophobicContact CE2-CD2 4.35Å; A659-L863 HydrophobicContact CB-CD1 3.91Å; V663-L863 HydrophobicContact CG2-CB 4.15Å; V663-L863 HydrophobicContact CG2-CD1 4.22Å; L858-L863 HydrophobicContact CD1-CD2 4.18Å; L858-L863 HydrophobicContact CD2-CD2 4.34Å; S861-L863 PolarHBondContact O-N 2.84Å; L863-C866 PolarHBondContact O-N 3.39Å; L863-L867 HydrophobicContact CD1-CD1 3.82Å; L863-L867 HydrophobicContact CD1-CG 4.24Å; L863-L867 HydrophobicContact CG-CD1 3.91Å; L863-L867 WeakPolarHBondContact O-CB 3.32Å; L863-L867 WeakPolarHBondContact O-CD1 3.38Å; L863-L867 VanDerWaalsContact O-CG 3.23Å; L863-L867 WeakPolarHBondContact O-CG 3.3Å; L863-L867 PolarHBondContact O-N 3.19Å; L863-L867 VanDerWaalsContact O-N 3.12Å; L863-F944 HydrophobicContact CB-CB 4.11Å; L863-F944 HydrophobicContact CB-CD1 4.45Å; L863-F944 HydrophobicContact CB-CG 4.25Å; L863-F944 HydrophobicContact CD2-CB 3.83Å; L863-F944 HydrophobicContact CD2-CD2 3.69Å; L863-F944 HydrophobicContact CD2-CE2 4.4Å; L863-F944 HydrophobicContact CD2-CG 3.86Å |
| 864 | A | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S861 C866 L867 G868 N869 F871 | S861-A864 WeakPolarHBondContact O-CB 3.09Å; S861-A864 PolarHBondContact O-N 2.89Å; S861-A864 PolarHBondContact OG-N 3Å; A864-C866 PolarHBondContact O-N 3.49Å; A864-L867 CarbonylContact O-C 3.49Å; A864-L867 WeakPolarHBondContact O-CA 3.25Å; A864-L867 PolarHBondContact O-N 3.26Å; A864-L867 VanDerWaalsContact O-N 3.08Å; A864-G868 PolarHBondContact O-N 2.86Å; A864-N869 CarbonylContact C-O 3.14Å; A864-N869 CarbonylContact O-C 3.57Å; A864-N869 PolarHBondContact O-N 3.1Å; A864-F871 HydrophobicContact CB-CD2 3.47Å; A864-F871 VanDerWaalsContact CB-CD2 3.47Å; A864-F871 HydrophobicContact CB-CE2 3.68Å; A864-F871 HydrophobicContact CB-CG 4.31Å |
| 865 | Q | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 178.7 | -177.5 | 176.3 | -12.3 | 0 | 0 | 112 | S407 F408 Q410 L666 S861 A862 L867 G868 | S407-Q865 PolarHBondContact O-NE2 3.21Å; F408-Q865 HydrophobicContact CD2-CG 4.21Å; F408-Q865 HydrophobicContact CE2-CG 4.16Å; Q410-Q865 PolarHBondContact NE2-O 2.86Å; L666-Q865 HydrophobicContact CD1-CG 4.42Å; S861-Q865 PolarHBondContact O-N 3.33Å; A862-Q865 PolarHBondContact O-N 3.09Å; Q865-L867 PolarHBondContact O-N 3.41Å; Q865-G868 PolarHBondContact O-N 3.41Å |
| 866 | C | 93.7 | Very high | 92 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -23.8 | 176.2 | -76.9 | 0 | 0 | 0 | 0 | 113.5 | W364 M662 A862 L863 A864 | W364-C866 HydrophobicContact CE3-CB 3.95Å; W364-C866 HydrophobicContact CZ3-CB 4.27Å; W364-C866 VanDerWaalsContact CZ3-SG 3.56Å; M662-C866 HydrophobicContact CB-CB 3.9Å; A862-C866 WeakPolarHBondContact O-CB 3.28Å; A862-C866 PolarHBondContact O-N 3.45Å; A862-C866 PolarHBondContact O-SG 3.08Å; A862-C866 VanDerWaalsContact O-SG 3.34Å; L863-C866 PolarHBondContact O-N 3.39Å; A864-C866 PolarHBondContact O-N 3.49Å |
| 867 | L | 90.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 18.8 Ų | 18.8 | 21% | 0.209 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 5.9 | 175.3 | -66.1 | 171 | 0 | 0 | 0 | 113.5 | Y648 F653 P654 M662 L863 A864 Q865 N869 F871 | Y648-L867 HydrophobicContact CE2-CD1 4.42Å; F653-L867 HydrophobicContact CD1-CD1 3.74Å; F653-L867 HydrophobicContact CD1-CD2 3.91Å; F653-L867 HydrophobicContact CD1-CG 4.35Å; F653-L867 HydrophobicContact CE1-CB 4.43Å; F653-L867 HydrophobicContact CE1-CD1 3.98Å; F653-L867 HydrophobicContact CE1-CD2 4.36Å; F653-L867 HydrophobicContact CG-CD1 4.15Å; P654-L867 HydrophobicContact CG-CD2 3.77Å; M662-L867 HydrophobicContact CE-CD2 3.84Å; L863-L867 HydrophobicContact CD1-CD1 3.82Å; L863-L867 HydrophobicContact CD1-CG 4.24Å; L863-L867 HydrophobicContact CG-CD1 3.91Å; L863-L867 WeakPolarHBondContact O-CB 3.32Å; L863-L867 WeakPolarHBondContact O-CD1 3.38Å; L863-L867 VanDerWaalsContact O-CG 3.23Å; L863-L867 WeakPolarHBondContact O-CG 3.3Å; L863-L867 PolarHBondContact O-N 3.19Å; L863-L867 VanDerWaalsContact O-N 3.12Å; A864-L867 CarbonylContact O-C 3.49Å; A864-L867 WeakPolarHBondContact O-CA 3.25Å; A864-L867 PolarHBondContact O-N 3.26Å; A864-L867 VanDerWaalsContact O-N 3.08Å; Q865-L867 PolarHBondContact O-N 3.41Å; L867-N869 VanDerWaalsContact C-N 3.31Å; L867-N869 PolarHBondContact O-N 3.47Å; L867-F871 HydrophobicContact CD1-CE2 4.26Å; L867-F871 HydrophobicContact CD1-CZ 3.89Å |
| 868 | G | 87.5 | Confident | 92.4 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 53% | 0.526 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 33 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A864 Q865 | A864-G868 PolarHBondContact O-N 2.86Å; Q865-G868 PolarHBondContact O-N 3.41Å |
| 869 | N | 86.9 | Confident | 92.5 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | trans | -137.4 | 172.8 | -174.8 | -147 | -55.6 | 0 | 0 | 0 | 110.8 | A864 L867 F871 | A864-N869 CarbonylContact C-O 3.14Å; A864-N869 CarbonylContact O-C 3.57Å; A864-N869 PolarHBondContact O-N 3.1Å; L867-N869 VanDerWaalsContact C-N 3.31Å; L867-N869 PolarHBondContact O-N 3.47Å; N869-F871 HydrophobicContact CB-CD1 4.28Å; N869-F871 HydrophobicContact CB-CE1 3.94Å; N869-F871 HydrophobicContact CB-CZ 4.24Å; N869-F871 PolarHBondContact OD1-N 3.23Å | ||
| 870 | L | 88.5 | Confident | 92.7 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | -116.2 | -25.1 | 168.1 | -61.8 | 176.8 | 0 | 0 | 0 | 112.7 | F408 V412 L645 V725 L728 L729 G859 G860 | F408-L870 HydrophobicContact CE2-CD2 4.48Å; F408-L870 HydrophobicContact CZ-CD2 4.36Å; V412-L870 HydrophobicContact CG1-CD1 3.83Å; V412-L870 HydrophobicContact CG2-CD1 3.99Å; L645-L870 HydrophobicContact CD2-CB 4.18Å; V725-L870 HydrophobicContact CG1-CD2 3.9Å; L728-L870 HydrophobicContact CB-CD1 4.45Å; L729-L870 HydrophobicContact CD1-CB 4.18Å; L729-L870 HydrophobicContact CD2-CB 3.65Å; L729-L870 HydrophobicContact CD2-CD1 3.93Å; L729-L870 HydrophobicContact CD2-CG 4.43Å; L729-L870 HydrophobicContact CG-CB 4.03Å; L729-L870 HydrophobicContact CG-CD1 4.37Å; G859-L870 CarbonylContact C-O 3.53Å; G859-L870 VanDerWaalsContact CA-O 3.28Å; G859-L870 WeakPolarHBondContact CA-O 3.5Å; G860-L870 PolarHBondContact N-O 3.12Å | ||
| 871 | F | 88.5 | Confident | 92.8 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | trans | 56.3 | 174.5 | -166.5 | -51.8 | -48.2 | 0 | 0 | 0 | 114.4 | K646 Y648 F653 L729 L858 A864 L867 N869 | K646-F871 VanDerWaalsContact O-CA 3.31Å; K646-F871 WeakPolarHBondContact O-CA 3.46Å; Y648-F871 HydrophobicContact CD2-CE1 4.32Å; Y648-F871 AromaticContact CD2-CE2 3.81Å; Y648-F871 HydrophobicContact CD2-CE2 3.81Å; Y648-F871 AromaticContact CD2-CZ 3.72Å; Y648-F871 HydrophobicContact CD2-CZ 3.72Å; Y648-F871 HydrophobicContact CE2-CZ 4.36Å; F653-F871 HydrophobicContact CE1-CZ 4.4Å; F653-F871 AromaticContact CE2-CE1 3.82Å; F653-F871 HydrophobicContact CE2-CE1 3.82Å; F653-F871 AromaticContact CE2-CZ 3.88Å; F653-F871 HydrophobicContact CE2-CZ 3.88Å; F653-F871 AromaticContact CZ-CE1 3.64Å; F653-F871 HydrophobicContact CZ-CE1 3.64Å; F653-F871 AromaticContact CZ-CZ 3.77Å; F653-F871 HydrophobicContact CZ-CZ 3.77Å; L729-F871 WeakPolarHBondContact CD1-O 3.36Å; L729-F871 WeakPolarHBondContact CD2-O 3.46Å; L858-F871 HydrophobicContact CB-CD2 4.06Å; A864-F871 HydrophobicContact CB-CD2 3.47Å; A864-F871 VanDerWaalsContact CB-CD2 3.47Å; A864-F871 HydrophobicContact CB-CE2 3.68Å; A864-F871 HydrophobicContact CB-CG 4.31Å; L867-F871 HydrophobicContact CD1-CE2 4.26Å; L867-F871 HydrophobicContact CD1-CZ 3.89Å; N869-F871 HydrophobicContact CB-CD1 4.28Å; N869-F871 HydrophobicContact CB-CE1 3.94Å; N869-F871 HydrophobicContact CB-CZ 4.24Å; N869-F871 PolarHBondContact OD1-N 3.23Å | ||
| 872 | Y | 83.2 | Confident | 92.8 | Very high | 142 Ų | 142 | 33 Ų | 33 | 56% | 0.557 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -87.8 | -45.6 | -163 | 114 | -93.1 | 0 | 0 | 0 | 116.3 | K646 | K646-Y872 PolarHBondContact O-N 3.39Š|
| 873 | E | 89.8 | Confident | 92.9 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | trans | -114.4 | 113.2 | -173.4 | -156.1 | -174.1 | 159.1 | 0 | 0 | 110.2 | K855 R857 G859 | K855-E873 IonicContact NZ-OE1 2.76Å; K855-E873 PolarHBondContact NZ-OE1 2.94Å; R857-E873 WeakPolarHBondContact CB-O 3.29Å; R857-E873 WeakPolarHBondContact CD-OE1 3.44Å; R857-E873 HydrophobicContact CG-CB 4.43Å; R857-E873 HydrophobicContact CG-CG 4.34Å; R857-E873 IonicContact NH1-OE1 3.85Å; G859-E873 WeakPolarHBondContact CA-O 3.42Å; G859-E873 PolarHBondContact N-O 2.87Å | ||
| 874 | P | 93.7 | Very high | 93 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -76.7 | 159.9 | 172.9 | 31.6 | -33.4 | 0 | 0 | 0 | 112.1 | K726 L729 N730 R857 G859 | K726-P874 HydrophobicContact CB-CB 4.19Å; K726-P874 HydrophobicContact CG-CB 4.17Å; L729-P874 HydrophobicContact CB-CG 4.28Å; L729-P874 HydrophobicContact CD1-CB 4.25Å; L729-P874 HydrophobicContact CD1-CG 4.46Å; N730-P874 HydrophobicContact CB-CG 3.99Å; R857-P874 WeakPolarHBondContact CD-O 3.25Å; R857-P874 PolarHBondContact NE-O 3.11Å; G859-P874 VanDerWaalsContact O-CA 3.28Å; G859-P874 WeakPolarHBondContact O-CA 3.36Å; G859-P874 WeakPolarHBondContact O-CB 3.34Å |
| 875 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -58.6 | 148.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M737 E946 E947 | M737-A875 HydrophobicContact CE-CB 4.02Å; M737-A875 HydrophobicContact CG-CB 4.43Å; M737-A875 WeakPolarHBondContact CG-O 3.49Å; M737-A875 HydrophobicContact SD-CB 4.07Å; A875-E946 WeakPolarHBondContact CB-O 3.13Å; A875-E947 HydrophobicContact CB-CG 4.2Å | ||
| 876 | D | 96.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | trans | -157.2 | 143.8 | -176 | -157.7 | -10.3 | 0 | 0 | 0 | 112.8 | S733 R736 R857 E878 | S733-D876 VanDerWaalsContact CB-CG 3.49Å; S733-D876 VanDerWaalsContact CB-OD2 3.28Å; S733-D876 WeakPolarHBondContact CB-OD2 3.47Å; S733-D876 PolarHBondContact OG-OD2 2.97Å; R736-D876 IonicContact CZ-OD1 3.66Å; R736-D876 IonicContact CZ-OD2 2.81Å; R736-D876 IonicContact NE-OD1 3.66Å; R736-D876 PolarHBondContact NE-OD1 3.35Å; R736-D876 IonicContact NE-OD2 3.59Å; R736-D876 PolarHBondContact NE-OD2 3.43Å; R736-D876 IonicContact NH2-OD1 2.76Å; R736-D876 IonicContact NH2-OD2 3.21Å; R736-D876 PolarHBondContact NH2-OD2 3.07Å; R857-D876 VanDerWaalsContact NH2-N 3.11Å; R857-D876 PolarHBondContact NH2-O 3.45Å; D876-E878 PolarHBondContact O-N 3.12Å; D876-E878 VanDerWaalsContact O-N 3.12Å | ||
| 877 | L | 96.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -83.7 | 80.5 | 178.1 | 176.1 | 48.5 | 0 | 0 | 0 | 110.9 | R736 A740 I786 L790 F883 | R736-L877 HydrophobicContact CB-CB 4.37Å; A740-L877 HydrophobicContact CB-CB 4.47Å; A740-L877 HydrophobicContact CB-CD2 3.88Å; I786-L877 HydrophobicContact CD1-CD2 4.11Å; I786-L877 HydrophobicContact CD1-CG 4.06Å; I786-L877 HydrophobicContact CG1-CD2 3.89Å; I786-L877 HydrophobicContact CG1-CG 4.32Å; L790-L877 HydrophobicContact CD1-CD2 4.36Å; L877-F883 HydrophobicContact CD1-CB 4.06Å; L877-F883 HydrophobicContact CD1-CD2 3.86Å; L877-F883 HydrophobicContact CD1-CG 4.38Å; L877-F883 HydrophobicContact CD2-CD2 3.77Å; L877-F883 HydrophobicContact CD2-CE2 4.31Å; L877-F883 HydrophobicContact CD2-CG 4.31Å; L877-F883 HydrophobicContact CG-CD2 4.49Å | ||
| 878 | E | 93.4 | Very high | 94 | Very high | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | trans | -70.9 | -30.6 | -176.9 | -64.1 | 176.7 | 178.4 | 0 | 0 | 113.8 | G850 K855 R857 D876 P880 | G850-E878 PolarHBondContact O-N 3.32Å; K855-E878 VanDerWaalsContact CE-OE1 3.28Å; K855-E878 WeakPolarHBondContact CE-OE1 3.32Å; K855-E878 IonicContact NZ-OE1 3.98Å; K855-E878 PolarHBondContact NZ-OE1 3.25Å; R857-E878 IonicContact CZ-OE1 3.58Å; R857-E878 IonicContact NH1-OE1 3.66Å; R857-E878 PolarHBondContact NH1-OE1 2.9Å; R857-E878 IonicContact NH2-OE1 3.44Å; D876-E878 PolarHBondContact O-N 3.12Å; D876-E878 VanDerWaalsContact O-N 3.12Å; E878-P880 WeakPolarHBondContact O-CD 3.44Å | ||
| 879 | K | 96.4 | Very high | 94.5 | Very high | 70 Ų | 70 | 38 Ų | 38 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | trans | -128.9 | 71.1 | -165.4 | -57.9 | 159.5 | -165.9 | 169.1 | 0 | 111.7 | G850 S852 H881 Q882 F883 | G850-K879 VanDerWaalsContact O-CB 3.29Å; G850-K879 WeakPolarHBondContact O-CB 3.26Å; G850-K879 PolarHBondContact O-N 3.24Å; S852-K879 PolarHBondContact OG-NZ 3.01Å; K879-H881 VanDerWaalsContact C-N 3.27Å; K879-H881 PolarHBondContact O-N 3.12Å; K879-H881 VanDerWaalsContact O-N 3.14Å; K879-Q882 HydrophobicContact CB-CB 4.21Å; K879-Q882 HydrophobicContact CB-CG 4.29Å; K879-Q882 WeakPolarHBondContact O-CB 3.27Å; K879-Q882 PolarHBondContact O-N 3.02Å; K879-F883 PolarHBondContact O-N 3.38Å | ||
| 880 | P | 96.5 | Very high | 95 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.7 | -33.8 | -176.4 | 18.1 | -31.2 | 0 | 0 | 0 | 114.4 | I786 L790 E878 Q882 F883 C884 | I786-P880 HydrophobicContact CD1-CB 3.8Å; I786-P880 HydrophobicContact CD1-CG 3.91Å; L790-P880 HydrophobicContact CD2-CB 4.05Å; L790-P880 HydrophobicContact CG-CB 4.42Å; E878-P880 WeakPolarHBondContact O-CD 3.44Å; P880-Q882 VanDerWaalsContact C-N 3.27Å; P880-Q882 PolarHBondContact O-N 2.77Å; P880-F883 VanDerWaalsContact O-CB 3.31Å; P880-F883 WeakPolarHBondContact O-CB 3.26Å; P880-F883 PolarHBondContact O-N 3.2Å; P880-F883 VanDerWaalsContact O-N 3.11Å; P880-C884 PolarHBondContact O-N 3.36Å; P880-C884 PolarHBondContact O-SG 3.27Å; P880-C884 VanDerWaalsContact O-SG 3.38Å |
| 881 | H | 96.3 | Very high | 95.5 | Very high | 133 Ų | 133 | 37.4 Ų | 37.4 | 62% | 0.616 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -68.8 | -21.1 | 175.7 | -57.4 | -35.7 | 0 | 0 | 0 | 113.9 | K879 R885 | K879-H881 VanDerWaalsContact C-N 3.27Å; K879-H881 PolarHBondContact O-N 3.12Å; K879-H881 VanDerWaalsContact O-N 3.14Å; H881-R885 WeakPolarHBondContact O-CG 3.38Å; H881-R885 PolarHBondContact O-NE 2.97Å |
| 882 | Q | 96.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -75.2 | -42.9 | 166.4 | -77 | 179.5 | -36.1 | 0 | 0 | 110.7 | K879 P880 C884 R885 A886 N970 | K879-Q882 HydrophobicContact CB-CB 4.21Å; K879-Q882 HydrophobicContact CB-CG 4.29Å; K879-Q882 WeakPolarHBondContact O-CB 3.27Å; K879-Q882 PolarHBondContact O-N 3.02Å; P880-Q882 VanDerWaalsContact C-N 3.27Å; P880-Q882 PolarHBondContact O-N 2.77Å; Q882-C884 PolarHBondContact O-N 3.03Å; Q882-R885 PolarHBondContact O-N 3.11Å; Q882-R885 VanDerWaalsContact O-N 3.1Å; Q882-A886 WeakPolarHBondContact O-CB 3.24Å; Q882-A886 PolarHBondContact O-N 3.15Å; Q882-N970 WeakPolarHBondContact CG-O 3.46Å; Q882-N970 PolarHBondContact NE2-O 3.39Å |
| 883 | F | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.4 | -52.8 | 174.7 | -166.3 | -69.3 | 0 | 0 | 0 | 111.7 | A740 L743 T744 L790 F849 L877 K879 P880 R885 A886 F887 | A740-F883 HydrophobicContact CB-CE2 3.87Å; A740-F883 WeakPolarHBondContact O-CZ 3.48Å; L743-F883 HydrophobicContact CB-CE1 3.69Å; L743-F883 HydrophobicContact CB-CZ 3.54Å; L743-F883 HydrophobicContact CD1-CE1 3.91Å; L743-F883 HydrophobicContact CD1-CZ 4.27Å; T744-F883 HydrophobicContact CG2-CE2 3.95Å; T744-F883 HydrophobicContact CG2-CZ 3.98Å; L790-F883 HydrophobicContact CD2-CB 3.93Å; L790-F883 HydrophobicContact CD2-CD1 3.7Å; L790-F883 HydrophobicContact CD2-CE1 4.5Å; L790-F883 HydrophobicContact CD2-CG 3.9Å; F849-F883 HydrophobicContact CB-CD2 3.64Å; F849-F883 HydrophobicContact CB-CE2 3.81Å; F849-F883 HydrophobicContact CB-CG 4.32Å; F849-F883 HydrophobicContact CD1-CD1 4.08Å; F849-F883 AromaticContact CD1-CD2 3.92Å; F849-F883 HydrophobicContact CD1-CD2 3.92Å; F849-F883 AromaticContact CD1-CE1 3.94Å; F849-F883 HydrophobicContact CD1-CE1 3.94Å; F849-F883 AromaticContact CD1-CE2 3.77Å; F849-F883 HydrophobicContact CD1-CE2 3.77Å; F849-F883 HydrophobicContact CD1-CG 4.04Å; F849-F883 AromaticContact CD1-CZ 3.75Å; F849-F883 HydrophobicContact CD1-CZ 3.75Å; F849-F883 HydrophobicContact CE1-CE1 4.45Å; F849-F883 HydrophobicContact CE1-CZ 4.5Å; F849-F883 HydrophobicContact CG-CD2 4.3Å; F849-F883 HydrophobicContact CG-CE2 4.3Å; L877-F883 HydrophobicContact CD1-CB 4.06Å; L877-F883 HydrophobicContact CD1-CD2 3.86Å; L877-F883 HydrophobicContact CD1-CG 4.38Å; L877-F883 HydrophobicContact CD2-CD2 3.77Å; L877-F883 HydrophobicContact CD2-CE2 4.31Å; L877-F883 HydrophobicContact CD2-CG 4.31Å; L877-F883 HydrophobicContact CG-CD2 4.49Å; K879-F883 PolarHBondContact O-N 3.38Å; P880-F883 VanDerWaalsContact O-CB 3.31Å; P880-F883 WeakPolarHBondContact O-CB 3.26Å; P880-F883 PolarHBondContact O-N 3.2Å; P880-F883 VanDerWaalsContact O-N 3.11Å; F883-R885 PolarHBondContact O-N 2.91Å; F883-A886 PolarHBondContact O-N 3.26Å; F883-F887 HydrophobicContact CE1-CD2 4.19Å; F883-F887 WeakPolarHBondContact O-CB 3.34Å; F883-F887 PolarHBondContact O-N 3.16Å |
| 884 | C | 98 | Very high | 96.7 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -25.8 | 179 | -60.9 | 0 | 0 | 0 | 0 | 114.2 | L754 P880 Q882 R888 | L754-C884 HydrophobicContact CD2-CB 4.15Å; P880-C884 PolarHBondContact O-N 3.36Å; P880-C884 PolarHBondContact O-SG 3.27Å; P880-C884 VanDerWaalsContact O-SG 3.38Å; Q882-C884 PolarHBondContact O-N 3.03Å; C884-R888 WeakPolarHBondContact O-CG 3.39Å; C884-R888 PolarHBondContact O-N 3.04Å |
| 885 | R | 97.8 | Very high | 96.6 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -79.1 | -47.7 | 174.6 | -76.6 | 179.3 | -70.2 | -176.7 | 5.3 | 110.3 | H881 Q882 F883 F887 R888 I889 S969 V971 | H881-R885 WeakPolarHBondContact O-CG 3.38Å; H881-R885 PolarHBondContact O-NE 2.97Å; Q882-R885 PolarHBondContact O-N 3.11Å; Q882-R885 VanDerWaalsContact O-N 3.1Å; F883-R885 PolarHBondContact O-N 2.91Å; R885-F887 VanDerWaalsContact C-N 3.33Å; R885-F887 PolarHBondContact O-N 3.4Å; R885-R888 PolarHBondContact O-N 3.32Å; R885-I889 HydrophobicContact CB-CD1 4.49Å; R885-I889 VanDerWaalsContact O-CD1 3.23Å; R885-I889 WeakPolarHBondContact O-CD1 3.02Å; R885-I889 WeakPolarHBondContact O-CG1 3.3Å; R885-I889 PolarHBondContact O-N 3.22Å; R885-S969 WeakPolarHBondContact CD-O 3.44Å; R885-S969 PolarHBondContact NE-O 2.82Å; R885-S969 PolarHBondContact NH1-O 2.89Å; R885-S969 VanDerWaalsContact NH1-O 3.09Å; R885-V971 HydrophobicContact CB-CG2 3.86Å |
| 886 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V847 F849 Q882 F883 I889 T890 V971 | V847-A886 HydrophobicContact CG1-CB 4.44Å; F849-A886 HydrophobicContact CD1-CB 3.96Å; F849-A886 HydrophobicContact CD2-CB 3.6Å; F849-A886 HydrophobicContact CE1-CB 3.86Å; F849-A886 HydrophobicContact CE2-CB 3.45Å; F849-A886 VanDerWaalsContact CE2-CB 3.45Å; F849-A886 HydrophobicContact CG-CB 3.85Å; F849-A886 HydrophobicContact CZ-CB 3.6Å; Q882-A886 WeakPolarHBondContact O-CB 3.24Å; Q882-A886 PolarHBondContact O-N 3.15Å; F883-A886 PolarHBondContact O-N 3.26Å; A886-I889 PolarHBondContact O-N 3Å; A886-T890 WeakPolarHBondContact O-CB 3.41Å; A886-T890 PolarHBondContact O-N 3.47Å; A886-T890 PolarHBondContact O-OG1 3Å; A886-V971 HydrophobicContact CB-CG1 3.62Å; A886-V971 HydrophobicContact CB-CG2 4.04Å |
| 887 | F | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.3 | -53 | 175.3 | -168.3 | -75.2 | 0 | 0 | 0 | 111.8 | L743 V747 I751 L754 F849 F883 R885 I889 T890 Q891 | L743-F887 HydrophobicContact CB-CE2 4.49Å; L743-F887 WeakPolarHBondContact O-CE2 3.44Å; V747-F887 HydrophobicContact CB-CD2 3.96Å; V747-F887 HydrophobicContact CB-CE2 3.81Å; V747-F887 HydrophobicContact CB-CZ 4.41Å; V747-F887 HydrophobicContact CG2-CB 4.42Å; V747-F887 HydrophobicContact CG2-CD1 4.27Å; V747-F887 HydrophobicContact CG2-CD2 3.57Å; V747-F887 HydrophobicContact CG2-CE1 4.42Å; V747-F887 HydrophobicContact CG2-CE2 3.75Å; V747-F887 HydrophobicContact CG2-CG 3.84Å; V747-F887 HydrophobicContact CG2-CZ 4.17Å; I751-F887 HydrophobicContact CD1-CE1 3.72Å; I751-F887 HydrophobicContact CD1-CZ 3.71Å; I751-F887 HydrophobicContact CG1-CE1 4.18Å; I751-F887 HydrophobicContact CG1-CZ 4.4Å; L754-F887 HydrophobicContact CB-CD1 4.06Å; L754-F887 HydrophobicContact CB-CE1 4.12Å; L754-F887 HydrophobicContact CD1-CD1 4.18Å; L754-F887 HydrophobicContact CD1-CD2 4.15Å; L754-F887 HydrophobicContact CD1-CE1 4.12Å; L754-F887 HydrophobicContact CD1-CE2 4.06Å; L754-F887 HydrophobicContact CD1-CG 4.22Å; L754-F887 HydrophobicContact CD1-CZ 4.06Å; L754-F887 HydrophobicContact CD2-CB 4.41Å; L754-F887 HydrophobicContact CD2-CD1 4.39Å; L754-F887 HydrophobicContact CD2-CG 4.31Å; L754-F887 HydrophobicContact CG-CD1 4.44Å; F849-F887 HydrophobicContact CE1-CB 3.99Å; F849-F887 HydrophobicContact CE1-CD2 4.46Å; F883-F887 HydrophobicContact CE1-CD2 4.19Å; F883-F887 WeakPolarHBondContact O-CB 3.34Å; F883-F887 PolarHBondContact O-N 3.16Å; R885-F887 VanDerWaalsContact C-N 3.33Å; R885-F887 PolarHBondContact O-N 3.4Å; F887-I889 PolarHBondContact O-N 3.15Å; F887-T890 PolarHBondContact O-N 3.2Å; F887-Q891 HydrophobicContact CD1-CG 3.87Å; F887-Q891 HydrophobicContact CE1-CG 3.61Å; F887-Q891 HydrophobicContact CZ-CG 4.49Å; F887-Q891 WeakPolarHBondContact O-CG 3.23Å; F887-Q891 PolarHBondContact O-N 3.31Å |
| 888 | R | 97.9 | Very high | 94.4 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -37.7 | -179.2 | -75.7 | -174.1 | -177 | 99.7 | 6.1 | 113.4 | D753 C884 R885 Q891 Q892 | D753-R888 IonicContact OD1-NH2 3.72Å; D753-R888 PolarHBondContact OD1-NH2 3.2Å; D753-R888 IonicContact OD2-NE 3.09Å; C884-R888 WeakPolarHBondContact O-CG 3.39Å; C884-R888 PolarHBondContact O-N 3.04Å; R885-R888 PolarHBondContact O-N 3.32Å; R888-Q891 PolarHBondContact O-N 3.03Å; R888-Q892 VanDerWaalsContact O-CG 3.28Å; R888-Q892 WeakPolarHBondContact O-CG 3.32Å; R888-Q892 PolarHBondContact O-N 2.99Å |
| 889 | I | 98 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.4 | -64.6 | 155.9 | 0 | 0 | 0 | 110 | R885 A886 F887 Q891 Q892 L893 K965 Y966 S969 V971 | R885-I889 HydrophobicContact CB-CD1 4.49Å; R885-I889 VanDerWaalsContact O-CD1 3.23Å; R885-I889 WeakPolarHBondContact O-CD1 3.02Å; R885-I889 WeakPolarHBondContact O-CG1 3.3Å; R885-I889 PolarHBondContact O-N 3.22Å; A886-I889 PolarHBondContact O-N 3Å; F887-I889 PolarHBondContact O-N 3.15Å; I889-Q891 PolarHBondContact O-N 3.38Å; I889-Q892 WeakPolarHBondContact O-CB 3.4Å; I889-Q892 PolarHBondContact O-N 3.48Å; I889-Q892 VanDerWaalsContact O-N 3.17Å; I889-L893 HydrophobicContact CG2-CD1 4.11Å; I889-L893 HydrophobicContact CG2-CG 4.47Å; I889-L893 VanDerWaalsContact O-CG 3.31Å; I889-L893 WeakPolarHBondContact O-CG 3.3Å; I889-L893 PolarHBondContact O-N 3.31Å; I889-K965 HydrophobicContact CG2-CB 3.79Å; I889-Y966 HydrophobicContact CB-CD1 4Å; I889-Y966 HydrophobicContact CB-CE1 3.68Å; I889-Y966 HydrophobicContact CD1-CD1 3.75Å; I889-Y966 HydrophobicContact CD1-CE1 4.26Å; I889-Y966 HydrophobicContact CG2-CD1 3.7Å; I889-Y966 HydrophobicContact CG2-CD2 4.35Å; I889-Y966 HydrophobicContact CG2-CE1 3.47Å; I889-Y966 VanDerWaalsContact CG2-CE1 3.47Å; I889-Y966 HydrophobicContact CG2-CE2 4.14Å; I889-Y966 HydrophobicContact CG2-CG 4.14Å; I889-S969 VanDerWaalsContact CD1-CB 3.49Å; I889-S969 WeakPolarHBondContact CD1-OG 3.32Å; I889-V971 HydrophobicContact CD1-CG2 4.18Å |
| 890 | T | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 110.9 | V747 A886 F887 Q892 L893 I894 I950 Y966 | V747-T890 HydrophobicContact CG1-CG2 4.14Å; V747-T890 HydrophobicContact CG2-CG2 3.84Å; A886-T890 WeakPolarHBondContact O-CB 3.41Å; A886-T890 PolarHBondContact O-N 3.47Å; A886-T890 PolarHBondContact O-OG1 3Å; F887-T890 PolarHBondContact O-N 3.2Å; T890-Q892 VanDerWaalsContact C-N 3.34Å; T890-Q892 PolarHBondContact O-N 2.71Å; T890-L893 WeakPolarHBondContact O-CB 3.02Å; T890-L893 PolarHBondContact O-N 3.45Å; T890-I894 HydrophobicContact CG2-CD1 4.29Å; T890-I894 WeakPolarHBondContact O-CG1 3.49Å; T890-I894 PolarHBondContact O-N 3.17Å; T890-I950 HydrophobicContact CG2-CD1 3.7Å; T890-Y966 PolarHBondContact OG1-OH 2.88Å |
| 891 | Q | 97.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -42 | 172.3 | -70.6 | -73.2 | -59 | 0 | 0 | 113 | V747 A749 F887 R888 I889 L893 I894 S895 | V747-Q891 PolarHBondContact O-NE2 3.32Å; A749-Q891 PolarHBondContact O-NE2 2.98Å; F887-Q891 HydrophobicContact CD1-CG 3.87Å; F887-Q891 HydrophobicContact CE1-CG 3.61Å; F887-Q891 HydrophobicContact CZ-CG 4.49Å; F887-Q891 WeakPolarHBondContact O-CG 3.23Å; F887-Q891 PolarHBondContact O-N 3.31Å; R888-Q891 PolarHBondContact O-N 3.03Å; I889-Q891 PolarHBondContact O-N 3.38Å; Q891-L893 VanDerWaalsContact C-N 3.27Å; Q891-L893 PolarHBondContact O-N 2.97Å; Q891-I894 PolarHBondContact O-N 3.46Å; Q891-S895 WeakPolarHBondContact O-CB 3.23Å; Q891-S895 PolarHBondContact O-N 3.16Å; Q891-S895 PolarHBondContact O-OG 3.09Å; Q891-S895 VanDerWaalsContact O-OG 3.11Å |
| 892 | Q | 96.8 | Very high | 93.2 | Very high | 113 Ų | 113 | 43.8 Ų | 43.8 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.8 | -26.1 | 174.7 | -72.6 | 170.5 | 4.3 | 0 | 0 | 113.7 | R888 I889 T890 D896 | R888-Q892 VanDerWaalsContact O-CG 3.28Å; R888-Q892 WeakPolarHBondContact O-CG 3.32Å; R888-Q892 PolarHBondContact O-N 2.99Å; I889-Q892 WeakPolarHBondContact O-CB 3.4Å; I889-Q892 PolarHBondContact O-N 3.48Å; I889-Q892 VanDerWaalsContact O-N 3.17Å; T890-Q892 VanDerWaalsContact C-N 3.34Å; T890-Q892 PolarHBondContact O-N 2.71Å; Q892-D896 PolarHBondContact O-N 2.69Å |
| 893 | L | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -82.5 | -31.9 | 176.8 | -68.6 | 173.4 | 0 | 0 | 0 | 112.5 | I889 T890 Q891 S895 D896 A900 V901 V962 K965 Y966 | I889-L893 HydrophobicContact CG2-CD1 4.11Å; I889-L893 HydrophobicContact CG2-CG 4.47Å; I889-L893 VanDerWaalsContact O-CG 3.31Å; I889-L893 WeakPolarHBondContact O-CG 3.3Å; I889-L893 PolarHBondContact O-N 3.31Å; T890-L893 WeakPolarHBondContact O-CB 3.02Å; T890-L893 PolarHBondContact O-N 3.45Å; Q891-L893 VanDerWaalsContact C-N 3.27Å; Q891-L893 PolarHBondContact O-N 2.97Å; L893-S895 VanDerWaalsContact C-N 3.34Å; L893-D896 VanDerWaalsContact O-CB 3.32Å; L893-D896 WeakPolarHBondContact O-CB 3.29Å; L893-D896 PolarHBondContact O-N 2.83Å; L893-A900 HydrophobicContact CB-CB 4.43Å; L893-A900 HydrophobicContact CD2-CB 3.87Å; L893-V901 HydrophobicContact CB-CG2 3.87Å; L893-V962 HydrophobicContact CD1-CB 4.45Å; L893-V962 HydrophobicContact CD1-CG1 3.8Å; L893-V962 HydrophobicContact CD1-CG2 4.09Å; L893-V962 HydrophobicContact CD2-CG2 3.83Å; L893-K965 HydrophobicContact CD2-CD 3.87Å; L893-Y966 HydrophobicContact CD1-CE2 3.96Å |
| 894 | I | 94.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 171.2 | -64.9 | 173.3 | 0 | 0 | 0 | 110.7 | V747 P750 R831 I833 T890 Q891 D896 | V747-I894 WeakPolarHBondContact O-CD1 3.37Å; P750-I894 HydrophobicContact CB-CG2 4.47Å; P750-I894 HydrophobicContact CG-CG2 3.87Å; R831-I894 HydrophobicContact CB-CG2 4.4Å; R831-I894 WeakPolarHBondContact O-CG2 3.46Å; I833-I894 HydrophobicContact CG1-CD1 3.94Å; I833-I894 HydrophobicContact CG1-CG1 3.71Å; I833-I894 HydrophobicContact CG1-CG2 4.28Å; T890-I894 HydrophobicContact CG2-CD1 4.29Å; T890-I894 WeakPolarHBondContact O-CG1 3.49Å; T890-I894 PolarHBondContact O-N 3.17Å; Q891-I894 PolarHBondContact O-N 3.46Å; I894-D896 VanDerWaalsContact C-N 3.3Å; I894-D896 PolarHBondContact O-N 2.94Å |
| 895 | S | 89.8 | Confident | 93.1 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 43% | 0.427 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -78.1 | -6.5 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 114.6 | R831 Q891 L893 E897 | R831-S895 PolarHBondContact NH1-O 3.2Å; R831-S895 VanDerWaalsContact NH1-O 3.13Å; Q891-S895 WeakPolarHBondContact O-CB 3.23Å; Q891-S895 PolarHBondContact O-N 3.16Å; Q891-S895 PolarHBondContact O-OG 3.09Å; Q891-S895 VanDerWaalsContact O-OG 3.11Å; L893-S895 VanDerWaalsContact C-N 3.34Å; S895-E897 PolarHBondContact O-N 2.82Å |
| 896 | D | 85.8 | Confident | 93.2 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -67.1 | 119.4 | -177.5 | -169.7 | -59.5 | 0 | 0 | 0 | 111.2 | Q892 L893 I894 F898 C899 A900 K958 | Q892-D896 PolarHBondContact O-N 2.69Å; L893-D896 VanDerWaalsContact O-CB 3.32Å; L893-D896 WeakPolarHBondContact O-CB 3.29Å; L893-D896 PolarHBondContact O-N 2.83Å; I894-D896 VanDerWaalsContact C-N 3.3Å; I894-D896 PolarHBondContact O-N 2.94Å; D896-F898 PolarHBondContact O-N 3.34Å; D896-F898 WeakPolarHBondContact OD1-CB 3.42Å; D896-F898 PolarHBondContact OD1-N 2.88Å; D896-C899 PolarHBondContact O-N 3.43Å; D896-A900 HydrophobicContact CB-CB 3.76Å; D896-K958 IonicContact OD1-NZ 3.59Å; D896-K958 PolarHBondContact OD1-NZ 2.9Å; D896-K958 IonicContact OD2-NZ 2.71Å; D896-K958 PolarHBondContact OD2-NZ 3.43Å | ||
| 897 | E | 78.1 | Confident | 93.2 | Very high | 154 Ų | 154 | 38.2 Ų | 38.2 | 72% | 0.72 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | -176.3 | -61.4 | -178.2 | 150.6 | 0 | 0 | 114 | S895 | S895-E897 PolarHBondContact O-N 2.82Š|
| 898 | F | 80.4 | Confident | 93.2 | Very high | 143 Ų | 143 | 39.8 Ų | 39.8 | 63% | 0.627 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 23.3 | 177.3 | -52.5 | -88 | 0 | 0 | 0 | 112.6 | D896 | D896-F898 PolarHBondContact O-N 3.34Å; D896-F898 WeakPolarHBondContact OD1-CB 3.42Å; D896-F898 PolarHBondContact OD1-N 2.88Å |
| 899 | C | 79 | Confident | 93.2 | Very high | 71 Ų | 71 | 36.3 Ų | 36.3 | 48% | 0.48 | 19% | 0.186 | S | C | . | . | trans | 49.4 | 63.1 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | D896 V901 | D896-C899 PolarHBondContact O-N 3.43Å; C899-V901 PolarHBondContact O-N 2.88Å; C899-V901 VanDerWaalsContact O-N 3.1Å | ||
| 900 | A | 90.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -67.3 | -8.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L893 D896 K958 | L893-A900 HydrophobicContact CB-CB 4.43Å; L893-A900 HydrophobicContact CD2-CB 3.87Å; D896-A900 HydrophobicContact CB-CB 3.76Å; A900-K958 HydrophobicContact CB-CD 4.07Å; A900-K958 HydrophobicContact CB-CG 4.33Å |
| 901 | V | 94.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | trans | -131.4 | 134 | 173.9 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | I833 L893 C899 A903 L952 | I833-V901 HydrophobicContact CD1-CB 4.18Å; I833-V901 HydrophobicContact CD1-CG1 4.01Å; I833-V901 HydrophobicContact CG1-CG1 4.15Å; I833-V901 HydrophobicContact CG2-CG1 4Å; L893-V901 HydrophobicContact CB-CG2 3.87Å; C899-V901 PolarHBondContact O-N 2.88Å; C899-V901 VanDerWaalsContact O-N 3.1Å; V901-A903 WeakPolarHBondContact CG1-O 3.4Å; V901-L952 HydrophobicContact CG1-CD2 4.02Å | ||
| 902 | Y | 92.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 35 Ų | 35 | 29% | 0.286 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -102 | -33.9 | 175.5 | -71.5 | -22.8 | 0 | 0 | 0 | 113.2 | K838 V840 A842 Q953 P955 | K838-Y902 WeakPolarHBondContact CE-O 3.23Å; K838-Y902 WeakPolarHBondContact CG-O 3.46Å; K838-Y902 PolarHBondContact NZ-O 2.7Å; V840-Y902 HydrophobicContact CG2-CD2 3.71Å; V840-Y902 HydrophobicContact CG2-CE2 3.63Å; A842-Y902 HydrophobicContact CB-CD2 4.05Å; A842-Y902 HydrophobicContact CB-CE2 4.32Å; Y902-Q953 PolarHBondContact N-O 3.28Å; Y902-P955 HydrophobicContact CE1-CB 4.36Å; Y902-P955 HydrophobicContact CE1-CG 4.17Å; Y902-P955 HydrophobicContact CE2-CB 3.71Å; Y902-P955 HydrophobicContact CE2-CG 4.23Å |
| 903 | A | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109 | T834 L837 V901 M919 Q953 | T834-A903 VanDerWaalsContact O-CA 3.24Å; T834-A903 WeakPolarHBondContact O-CA 3.41Å; T834-A903 VanDerWaalsContact O-CB 3.25Å; T834-A903 WeakPolarHBondContact O-CB 3.46Å; L837-A903 HydrophobicContact CD2-CB 4.15Å; V901-A903 WeakPolarHBondContact CG1-O 3.4Å; A903-M919 HydrophobicContact CB-CE 4.05Å; A903-Q953 HydrophobicContact CB-CB 3.9Å; A903-Q953 PolarHBondContact O-N 2.99Å |
| 904 | G | 97.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 150.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T834 P835 V951 | T834-G904 CarbonylContact C-O 3.57Å; T834-G904 PolarHBondContact O-N 2.7Å; T834-G904 VanDerWaalsContact O-N 3.14Å; P835-G904 VanDerWaalsContact CA-O 3.22Å; P835-G904 WeakPolarHBondContact CA-O 3.4Å; P835-G904 VanDerWaalsContact N-O 3.08Å; G904-V951 WeakPolarHBondContact CA-O 3.47Å |
| 905 | H | 98.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.06 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.9 | -178.8 | -164.6 | 20 | 0 | 0 | 0 | 110.7 | V700 D702 F748 P835 C915 E918 M919 I950 V951 | V700-H905 PolarHBondContact O-CE1 3.4Å; D702-H905 IonicContact OD1-CE1 2.8Å; D702-H905 IonicContact OD1-CG 2.75Å; D702-H905 IonicContact OD1-ND1 3.92Å; D702-H905 PolarHBondContact OD1-ND1 3.37Å; D702-H905 IonicContact OD2-ND1 3.71Å; F748-H905 VanDerWaalsContact CZ-C 3.43Å; F748-H905 VanDerWaalsContact CZ-N 3.27Å; P835-H905 HydrophobicContact CB-CB 3.87Å; P835-H905 HydrophobicContact CG-CB 3.84Å; P835-H905 WeakPolarHBondContact CG-ND1 3.31Å; H905-C915 PolarHBondContact CD2-O 2.72Å; H905-E918 WeakPolarHBondContact NE2-CB 2.99Å; H905-E918 IonicContact NE2-OE2 2.97Å; H905-M919 HydrophobicContact CB-CE 4.2Å; H905-M919 HydrophobicContact CB-CG 3.54Å; H905-M919 HydrophobicContact CB-SD 3.9Å; H905-I950 CarbonylContact O-C 3.55Å; H905-I950 VanDerWaalsContact O-CA 3.24Å; H905-I950 WeakPolarHBondContact O-CA 3.5Å; H905-I950 WeakPolarHBondContact O-CB 3.42Å; H905-V951 PolarHBondContact N-O 2.73Å; H905-V951 PolarHBondContact O-N 2.78Å |
| 906 | D | 98.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 165.4 | 173.7 | 166.8 | -94.9 | 0 | 0 | 0 | 114.1 | D702 T744 N745 F748 S908 C915 G949 | D702-D906 WeakPolarHBondContact OD1-CB 3.35Å; D702-D906 PolarHBondContact OD1-N 2.84Å; T744-D906 WeakPolarHBondContact CB-OD2 3.45Å; T744-D906 PolarHBondContact OG1-OD2 2.78Å; N745-D906 VanDerWaalsContact OD1-CB 3.24Å; N745-D906 WeakPolarHBondContact OD1-CB 3.46Å; F748-D906 HydrophobicContact CE2-CB 4.48Å; D906-S908 WeakPolarHBondContact OD1-CB 3.38Å; D906-S908 PolarHBondContact OD1-N 3.14Å; D906-S908 PolarHBondContact OD1-OG 3.4Å; D906-C915 VanDerWaalsContact O-CB 3.29Å; D906-C915 WeakPolarHBondContact O-CB 3.17Å; D906-C915 PolarHBondContact O-SG 2.88Å; D906-G949 CarbonylContact C-O 3.52Å |
| 907 | V | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 100.7 | 169.2 | -180 | 0 | 0 | 0 | 0 | 109.3 | Y846 L912 C915 G949 V951 | Y846-V907 HydrophobicContact CD2-CG2 4.47Å; Y846-V907 HydrophobicContact CE2-CG2 3.97Å; V907-L912 HydrophobicContact CG2-CD1 4.4Å; V907-C915 HydrophobicContact CG2-CB 3.99Å; V907-G949 PolarHBondContact N-O 2.99Å; V907-V951 HydrophobicContact CG2-CG2 4.47Å |
| 908 | S | 98 | Very high | 95 | Very high | 35 Ų | 35 | 19 Ų | 19 | 25% | 0.245 | 10% | 0.097 | C | C | . | . | trans | -129.1 | -121.5 | -178.4 | 48 | 0 | 0 | 0 | 0 | 111.4 | D906 G910 G911 E946 | D906-S908 WeakPolarHBondContact OD1-CB 3.38Å; D906-S908 PolarHBondContact OD1-N 3.14Å; D906-S908 PolarHBondContact OD1-OG 3.4Å; S908-G910 PolarHBondContact O-N 3.02Å; S908-G911 PolarHBondContact O-N 3.13Å; S908-G911 VanDerWaalsContact O-N 3.07Å; S908-E946 WeakPolarHBondContact O-CB 3.4Å; S908-E946 VanDerWaalsContact O-CG 3.26Å; S908-E946 WeakPolarHBondContact O-CG 3.18Å | ||
| 909 | D | 98.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 12.1 Ų | 12.1 | 8% | 0.08 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 129 | -176.4 | -95.4 | -102.9 | 0 | 0 | 0 | 111.9 | R406 S668 V669 G911 | R406-D909 IonicContact CZ-OD1 2.99Å; R406-D909 IonicContact CZ-OD2 2.72Å; R406-D909 VanDerWaalsContact NH1-CG 3.35Å; R406-D909 IonicContact NH1-OD1 2.78Å; R406-D909 PolarHBondContact NH1-OD1 3.49Å; R406-D909 IonicContact NH1-OD2 2.73Å; R406-D909 PolarHBondContact NH1-OD2 2.7Å; R406-D909 VanDerWaalsContact NH1-OD2 3.12Å; R406-D909 IonicContact NH2-OD1 2.85Å; R406-D909 IonicContact NH2-OD2 2.85Å; R406-D909 PolarHBondContact NH2-OD2 3.38Å; S668-D909 WeakPolarHBondContact CB-OD1 3.03Å; S668-D909 PolarHBondContact OG-OD1 2.95Å; V669-D909 HydrophobicContact CG2-CB 3.9Å; D909-G911 PolarHBondContact O-N 2.76Å |
| 910 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -5.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S908 F944 E946 | S908-G910 PolarHBondContact O-N 3.02Å; G910-F944 WeakPolarHBondContact O-CD1 3.32Å; G910-E946 PolarHBondContact N-OE1 3.36Å |
| 911 | G | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | 72.8 | -163 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S908 D909 I913 V914 C915 L943 A945 | S908-G911 PolarHBondContact O-N 3.13Å; S908-G911 VanDerWaalsContact O-N 3.07Å; D909-G911 PolarHBondContact O-N 2.76Å; G911-I913 PolarHBondContact O-N 3.29Å; G911-I913 VanDerWaalsContact O-N 3.15Å; G911-V914 PolarHBondContact O-N 3.21Å; G911-C915 PolarHBondContact O-N 2.85Å; G911-L943 CarbonylContact C-O 3.49Å; G911-A945 WeakPolarHBondContact CA-O 3.26Å |
| 912 | L | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -55.4 | -34.9 | -171 | 179.4 | 62.2 | 0 | 0 | 0 | 113.6 | Y846 V907 L916 L931 L943 V951 | Y846-L912 HydrophobicContact CD1-CD1 4.08Å; Y846-L912 HydrophobicContact CD1-CD2 3.85Å; Y846-L912 HydrophobicContact CD2-CD1 4Å; Y846-L912 HydrophobicContact CE1-CD1 4.25Å; Y846-L912 HydrophobicContact CE1-CD2 3.82Å; Y846-L912 HydrophobicContact CE2-CD1 4.22Å; Y846-L912 HydrophobicContact CG-CD1 3.97Å; V907-L912 HydrophobicContact CG2-CD1 4.4Å; L912-L916 HydrophobicContact CD1-CD1 4.05Å; L912-L916 HydrophobicContact CD1-CG 4.23Å; L912-L916 HydrophobicContact CG-CD1 3.92Å; L912-L916 WeakPolarHBondContact O-CB 3.39Å; L912-L916 WeakPolarHBondContact O-CD1 3.4Å; L912-L916 VanDerWaalsContact O-CG 3.29Å; L912-L916 WeakPolarHBondContact O-CG 3.38Å; L912-L916 PolarHBondContact O-N 3.12Å; L912-L916 VanDerWaalsContact O-N 3.08Å; L912-L931 HydrophobicContact CD2-CD2 4.03Å; L912-L943 PolarHBondContact N-O 2.83Å; L912-V951 HydrophobicContact CD1-CG2 3.61Å |
| 913 | I | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 178.8 | -166.7 | 166.2 | 0 | 0 | 0 | 112.8 | L656 L660 G911 L917 L943 F944 I991 L999 | L656-I913 HydrophobicContact CD1-CD1 4.06Å; L660-I913 HydrophobicContact CD1-CD1 4.04Å; L660-I913 HydrophobicContact CD1-CG1 4.16Å; L660-I913 HydrophobicContact CD1-CG2 4.18Å; L660-I913 HydrophobicContact CD2-CD1 4.11Å; G911-I913 PolarHBondContact O-N 3.29Å; G911-I913 VanDerWaalsContact O-N 3.15Å; I913-L917 HydrophobicContact CG1-CD1 4.02Å; I913-L917 WeakPolarHBondContact O-CB 2.98Å; I913-L917 WeakPolarHBondContact O-CD1 3.26Å; I913-L917 VanDerWaalsContact O-CG 3.26Å; I913-L917 WeakPolarHBondContact O-CG 3.33Å; I913-L917 PolarHBondContact O-N 3.41Å; I913-L943 HydrophobicContact CB-CB 4.03Å; I913-L943 HydrophobicContact CB-CD2 3.96Å; I913-L943 HydrophobicContact CD1-CB 4.46Å; I913-L943 HydrophobicContact CD1-CD1 4.28Å; I913-L943 HydrophobicContact CD1-CD2 4.27Å; I913-L943 HydrophobicContact CG1-CD2 4.31Å; I913-L943 HydrophobicContact CG2-CB 4.31Å; I913-L943 WeakPolarHBondContact CG2-O 3.27Å; I913-L943 PolarHBondContact N-O 2.85Å; I913-F944 HydrophobicContact CG2-CD1 3.72Å; I913-F944 HydrophobicContact CG2-CE1 3.54Å; I913-F944 HydrophobicContact CG2-CG 4.41Å; I913-F944 HydrophobicContact CG2-CZ 4.13Å; I913-I991 HydrophobicContact CD1-CD1 4.3Å; I913-I991 HydrophobicContact CG1-CD1 4.21Å; I913-L999 HydrophobicContact CD1-CD2 4.38Å |
| 914 | V | 98 | Very high | 95.5 | Very high | 3 Ų | 3 | 5.2 Ų | 5.2 | 2% | 0.018 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -70 | -48.9 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 109.8 | V663 L664 V669 G911 L916 L917 E918 | V663-V914 HydrophobicContact CG1-CG2 3.98Å; L664-V914 HydrophobicContact CD2-CG2 4.23Å; V669-V914 HydrophobicContact CG1-CG1 3.85Å; V669-V914 HydrophobicContact CG1-CG2 3.88Å; G911-V914 PolarHBondContact O-N 3.21Å; V914-L916 PolarHBondContact O-N 3.16Å; V914-L917 CarbonylContact O-C 3.56Å; V914-L917 PolarHBondContact O-N 2.8Å; V914-E918 HydrophobicContact CG1-CG 4.19Å; V914-E918 VanDerWaalsContact CG1-OE2 3.29Å; V914-E918 WeakPolarHBondContact CG1-OE2 3.2Å; V914-E918 PolarHBondContact O-N 3.08Å |
| 915 | C | 98 | Very high | 94.9 | Very high | 4 Ų | 4 | 5.2 Ų | 5.2 | 3% | 0.027 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -48.9 | -53 | 173 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | H905 D906 V907 G911 L917 E918 M919 | H905-C915 PolarHBondContact CD2-O 2.72Å; D906-C915 VanDerWaalsContact O-CB 3.29Å; D906-C915 WeakPolarHBondContact O-CB 3.17Å; D906-C915 PolarHBondContact O-SG 2.88Å; V907-C915 HydrophobicContact CG2-CB 3.99Å; G911-C915 PolarHBondContact O-N 2.85Å; C915-L917 VanDerWaalsContact C-N 3.33Å; C915-L917 PolarHBondContact O-N 3.11Å; C915-E918 PolarHBondContact O-N 2.94Å; C915-M919 WeakPolarHBondContact O-CB 3.16Å; C915-M919 VanDerWaalsContact O-CG 3.3Å; C915-M919 WeakPolarHBondContact O-CG 3.43Å; C915-M919 PolarHBondContact O-N 3.07Å |
| 916 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 178.9 | -72.6 | 166.6 | 0 | 0 | 0 | 112.4 | L844 L912 V914 A920 M927 V929 V951 | L844-L916 HydrophobicContact CD1-CD2 4.26Å; L912-L916 HydrophobicContact CD1-CD1 4.05Å; L912-L916 HydrophobicContact CD1-CG 4.23Å; L912-L916 HydrophobicContact CG-CD1 3.92Å; L912-L916 WeakPolarHBondContact O-CB 3.39Å; L912-L916 WeakPolarHBondContact O-CD1 3.4Å; L912-L916 VanDerWaalsContact O-CG 3.29Å; L912-L916 WeakPolarHBondContact O-CG 3.38Å; L912-L916 PolarHBondContact O-N 3.12Å; L912-L916 VanDerWaalsContact O-N 3.08Å; V914-L916 PolarHBondContact O-N 3.16Å; L916-A920 WeakPolarHBondContact O-CB 3.46Å; L916-A920 PolarHBondContact O-N 2.73Å; L916-A920 VanDerWaalsContact O-N 3.12Å; L916-M927 HydrophobicContact CB-CE 4.47Å; L916-M927 HydrophobicContact CB-SD 3.95Å; L916-M927 HydrophobicContact CD2-CE 4.21Å; L916-M927 HydrophobicContact CD2-SD 3.91Å; L916-M927 HydrophobicContact CG-SD 4.49Å; L916-M927 WeakPolarHBondContact O-CE 3.31Å; L916-V929 HydrophobicContact CD1-CG1 4.09Å; L916-V929 HydrophobicContact CD1-CG2 4.2Å; L916-V951 HydrophobicContact CD2-CG1 4.04Å; L916-V951 HydrophobicContact CD2-CG2 4.35Å |
| 917 | L | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -70 | -42.7 | 177.5 | -78.4 | 168.1 | 0 | 0 | 0 | 112.5 | L660 L664 I913 V914 C915 A920 F921 I989 W1006 | L660-L917 HydrophobicContact CD1-CD1 3.7Å; L660-L917 HydrophobicContact CD2-CD1 3.82Å; L660-L917 HydrophobicContact CG-CD1 4.31Å; L664-L917 HydrophobicContact CD2-CD1 4.45Å; I913-L917 HydrophobicContact CG1-CD1 4.02Å; I913-L917 WeakPolarHBondContact O-CB 2.98Å; I913-L917 WeakPolarHBondContact O-CD1 3.26Å; I913-L917 VanDerWaalsContact O-CG 3.26Å; I913-L917 WeakPolarHBondContact O-CG 3.33Å; I913-L917 PolarHBondContact O-N 3.41Å; V914-L917 CarbonylContact O-C 3.56Å; V914-L917 PolarHBondContact O-N 2.8Å; C915-L917 VanDerWaalsContact C-N 3.33Å; C915-L917 PolarHBondContact O-N 3.11Å; L917-A920 CarbonylContact O-C 3.41Å; L917-A920 WeakPolarHBondContact O-CA 3.49Å; L917-A920 WeakPolarHBondContact O-CB 3.26Å; L917-A920 PolarHBondContact O-N 3.02Å; L917-F921 HydrophobicContact CB-CE1 4.08Å; L917-F921 HydrophobicContact CB-CE2 4.12Å; L917-F921 HydrophobicContact CB-CZ 3.72Å; L917-F921 HydrophobicContact CD2-CE1 4.01Å; L917-F921 HydrophobicContact CD2-CZ 4.18Å; L917-F921 HydrophobicContact CG-CZ 4.4Å; L917-F921 WeakPolarHBondContact O-CD1 3.34Å; L917-F921 WeakPolarHBondContact O-CG 3.01Å; L917-F921 PolarHBondContact O-N 3.28Å; L917-I989 HydrophobicContact CD2-CD1 3.71Å; L917-I989 HydrophobicContact CD2-CG2 4.32Å; L917-I989 HydrophobicContact CG-CD1 4.3Å; L917-W1006 HydrophobicContact CD2-CB 3.98Å; L917-W1006 HydrophobicContact CD2-CG 4.17Å |
| 918 | E | 97.1 | Very high | 94 | Very high | 24 Ų | 24 | 7.6 Ų | 7.6 | 11% | 0.112 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 179.5 | -74.8 | -176.4 | 135.3 | 0 | 0 | 111.8 | V700 H905 V914 C915 A920 F921 A922 W1010 | V700-E918 HydrophobicContact CB-CB 4.46Å; V700-E918 HydrophobicContact CG1-CB 3.94Å; V700-E918 HydrophobicContact CG1-CG 3.98Å; H905-E918 WeakPolarHBondContact NE2-CB 2.99Å; H905-E918 IonicContact NE2-OE2 2.97Å; V914-E918 HydrophobicContact CG1-CG 4.19Å; V914-E918 VanDerWaalsContact CG1-OE2 3.29Å; V914-E918 WeakPolarHBondContact CG1-OE2 3.2Å; V914-E918 PolarHBondContact O-N 3.08Å; C915-E918 PolarHBondContact O-N 2.94Å; E918-A920 VanDerWaalsContact C-N 3.33Å; E918-A920 PolarHBondContact O-N 3.16Å; E918-F921 HydrophobicContact CG-CD2 4.09Å; E918-F921 HydrophobicContact CG-CE2 4.34Å; E918-F921 PolarHBondContact O-N 3.01Å; E918-A922 WeakPolarHBondContact O-CB 3.26Å; E918-A922 PolarHBondContact O-N 3.36Å; E918-W1010 HydrophobicContact CG-CZ2 4.27Å; E918-W1010 WeakPolarHBondContact OE1-CZ2 3.35Å; E918-W1010 PolarHBondContact OE1-NE1 2.9Å |
| 919 | M | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -57 | -44.9 | 166 | -72.7 | -169.1 | 101.4 | 0 | 0 | 112.1 | P835 L837 A903 H905 C915 A922 G923 M927 V951 | P835-M919 HydrophobicContact CB-CG 4.25Å; P835-M919 WeakPolarHBondContact O-CA 3.05Å; L837-M919 HydrophobicContact CD1-CB 3.97Å; L837-M919 WeakPolarHBondContact CD1-O 3.31Å; L837-M919 HydrophobicContact CD2-CB 4.2Å; L837-M919 HydrophobicContact CD2-CE 3.75Å; L837-M919 HydrophobicContact CD2-SD 4.33Å; L837-M919 HydrophobicContact CG-CB 3.88Å; L837-M919 WeakPolarHBondContact CG-O 3.31Å; A903-M919 HydrophobicContact CB-CE 4.05Å; H905-M919 HydrophobicContact CB-CE 4.2Å; H905-M919 HydrophobicContact CB-CG 3.54Å; H905-M919 HydrophobicContact CB-SD 3.9Å; C915-M919 WeakPolarHBondContact O-CB 3.16Å; C915-M919 VanDerWaalsContact O-CG 3.3Å; C915-M919 WeakPolarHBondContact O-CG 3.43Å; C915-M919 PolarHBondContact O-N 3.07Å; M919-A922 PolarHBondContact O-N 3.3Å; M919-G923 PolarHBondContact O-N 3.34Å; M919-G923 VanDerWaalsContact O-N 3.08Å; M919-M927 HydrophobicContact CB-CE 4.47Å; M919-V951 HydrophobicContact SD-CB 3.96Å; M919-V951 HydrophobicContact SD-CG1 3.84Å |
| 920 | A | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L916 L917 E918 A922 G923 N924 M927 V1003 | L916-A920 WeakPolarHBondContact O-CB 3.46Å; L916-A920 PolarHBondContact O-N 2.73Å; L916-A920 VanDerWaalsContact O-N 3.12Å; L917-A920 CarbonylContact O-C 3.41Å; L917-A920 WeakPolarHBondContact O-CA 3.49Å; L917-A920 WeakPolarHBondContact O-CB 3.26Å; L917-A920 PolarHBondContact O-N 3.02Å; E918-A920 VanDerWaalsContact C-N 3.33Å; E918-A920 PolarHBondContact O-N 3.16Å; A920-A922 VanDerWaalsContact C-N 3.33Å; A920-A922 PolarHBondContact O-N 3.08Å; A920-G923 PolarHBondContact O-N 3.01Å; A920-N924 VanDerWaalsContact O-CA 3.3Å; A920-N924 WeakPolarHBondContact O-CA 3.5Å; A920-N924 PolarHBondContact O-N 3.35Å; A920-M927 HydrophobicContact CB-CE 4.17Å; A920-V1003 HydrophobicContact CB-CG1 4.02Å; A920-V1003 HydrophobicContact CB-CG2 4.26Å |
| 921 | F | 91.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 176.8 | -59.7 | -17 | 0 | 0 | 0 | 111.7 | F696 T698 L917 E918 V1003 W1006 R1007 W1010 | F696-F921 VanDerWaalsContact CD2-O 3.31Å; F696-F921 WeakPolarHBondContact CD2-O 3.38Å; T698-F921 HydrophobicContact CG2-CB 4.1Å; T698-F921 PolarHBondContact OG1-O 2.81Å; L917-F921 HydrophobicContact CB-CE1 4.08Å; L917-F921 HydrophobicContact CB-CE2 4.12Å; L917-F921 HydrophobicContact CB-CZ 3.72Å; L917-F921 HydrophobicContact CD2-CE1 4.01Å; L917-F921 HydrophobicContact CD2-CZ 4.18Å; L917-F921 HydrophobicContact CG-CZ 4.4Å; L917-F921 WeakPolarHBondContact O-CD1 3.34Å; L917-F921 WeakPolarHBondContact O-CG 3.01Å; L917-F921 PolarHBondContact O-N 3.28Å; E918-F921 HydrophobicContact CG-CD2 4.09Å; E918-F921 HydrophobicContact CG-CE2 4.34Å; E918-F921 PolarHBondContact O-N 3.01Å; F921-V1003 HydrophobicContact CD1-CG1 3.7Å; F921-V1003 HydrophobicContact CE1-CG1 4.17Å; F921-W1006 HydrophobicContact CE1-CB 3.83Å; F921-W1006 HydrophobicContact CZ-CB 3.87Å; F921-R1007 HydrophobicContact CB-CG 4.02Å; F921-R1007 HydrophobicContact CD1-CB 3.57Å; F921-R1007 HydrophobicContact CD1-CG 3.89Å; F921-R1007 HydrophobicContact CD2-CG 4.26Å; F921-R1007 HydrophobicContact CE1-CB 3.75Å; F921-R1007 HydrophobicContact CE1-CG 4.46Å; F921-R1007 VanDerWaalsContact CE1-N 3.27Å; F921-R1007 HydrophobicContact CG-CB 4Å; F921-R1007 HydrophobicContact CG-CG 3.79Å; F921-R1007 HydrophobicContact CZ-CB 4.3Å; F921-W1010 HydrophobicContact CD2-CB 4.48Å; F921-W1010 AromaticContact CD2-CD2 3.83Å; F921-W1010 HydrophobicContact CD2-CD2 3.83Å; F921-W1010 AromaticContact CD2-CE3 3.82Å; F921-W1010 HydrophobicContact CD2-CE3 3.82Å; F921-W1010 HydrophobicContact CD2-CG 4.15Å; F921-W1010 HydrophobicContact CD2-CZ3 4.36Å; F921-W1010 HydrophobicContact CE2-CB 3.68Å; F921-W1010 AromaticContact CE2-CD2 3.82Å; F921-W1010 HydrophobicContact CE2-CD2 3.82Å; F921-W1010 HydrophobicContact CE2-CE3 4.17Å; F921-W1010 AromaticContact CE2-CG 3.62Å; F921-W1010 HydrophobicContact CE2-CG 3.62Å; F921-W1010 HydrophobicContact CZ-CB 4.24Å |
| 922 | A | 90.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -79.4 | -29.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | V693 P695 T698 V700 A836 E918 M919 A920 | V693-A922 HydrophobicContact CG2-CB 4.34Å; P695-A922 WeakPolarHBondContact CD-O 3.24Å; T698-A922 HydrophobicContact CG2-CB 4.27Å; V700-A922 HydrophobicContact CG2-CB 3.9Å; A836-A922 HydrophobicContact CB-CB 3.84Å; E918-A922 WeakPolarHBondContact O-CB 3.26Å; E918-A922 PolarHBondContact O-N 3.36Å; M919-A922 PolarHBondContact O-N 3.3Å; A920-A922 VanDerWaalsContact C-N 3.33Å; A920-A922 PolarHBondContact O-N 3.08Å |
| 923 | G | 87.2 | Confident | 91.1 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -97.2 | -26.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L837 R839 M919 A920 | L837-G923 VanDerWaalsContact O-CA 3.24Å; L837-G923 WeakPolarHBondContact O-CA 3.34Å; R839-G923 PolarHBondContact NE-O 2.66Å; R839-G923 PolarHBondContact NH2-O 2.78Å; M919-G923 PolarHBondContact O-N 3.34Å; M919-G923 VanDerWaalsContact O-N 3.08Å; A920-G923 PolarHBondContact O-N 3.01Å |
| 924 | N | 85.1 | Confident | 90 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | trans | 53.9 | 45.2 | -164.9 | -137.8 | 36.8 | 0 | 0 | 0 | 113.9 | F696 A920 N982 R1007 H1034 | F696-N924 HydrophobicContact CE2-CB 3.48Å; F696-N924 VanDerWaalsContact CE2-CB 3.48Å; F696-N924 HydrophobicContact CZ-CB 3.41Å; F696-N924 VanDerWaalsContact CZ-CB 3.41Å; A920-N924 VanDerWaalsContact O-CA 3.3Å; A920-N924 WeakPolarHBondContact O-CA 3.5Å; A920-N924 PolarHBondContact O-N 3.35Å; N924-N982 PolarHBondContact O-ND2 2.8Å; N924-N982 PolarHBondContact O-OD1 2.88Å; N924-R1007 PolarHBondContact OD1-NH1 3.46Å; N924-R1007 VanDerWaalsContact OD1-NH1 3.08Å; N924-H1034 PolarHBondContact ND2-NE2 3Å | ||
| 925 | C | 84.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -98.8 | 144.5 | 179.3 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | L837 R839 M927 | L837-C925 HydrophobicContact CB-CB 4.15Å; L837-C925 HydrophobicContact CD1-CB 4.23Å; L837-C925 PolarHBondContact O-SG 2.84Å; R839-C925 VanDerWaalsContact CG-SG 3.56Å; C925-M927 PolarHBondContact O-N 3.36Å | ||
| 926 | N | 88.9 | Confident | 87.4 | Confident | 27 Ų | 27 | 22.2 Ų | 22.2 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 130.6 | 159.7 | -79.5 | -10.6 | 0 | 0 | 0 | 109.8 | T979 S980 N982 A987 K988 | N926-T979 VanDerWaalsContact O-CA 3.28Å; N926-T979 WeakPolarHBondContact O-CA 3.19Å; N926-S980 WeakPolarHBondContact CB-OG 3.29Å; N926-S980 PolarHBondContact O-N 2.95Å; N926-N982 PolarHBondContact N-OD1 2.99Å; N926-A987 WeakPolarHBondContact OD1-CA 3.34Å; N926-K988 CarbonylContact C-O 3.58Å; N926-K988 VanDerWaalsContact CA-O 3.32Å; N926-K988 WeakPolarHBondContact CA-O 3.49Å; N926-K988 PolarHBondContact OD1-N 3.12Å |
| 927 | M | 92.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125.9 | 179.7 | -179.1 | -177.1 | -70.8 | 0 | 0 | 110.6 | L837 L844 L916 M919 A920 C925 V929 K988 I989 E990 | L837-M927 HydrophobicContact CD1-CE 3.52Å; L844-M927 HydrophobicContact CD1-CE 3.81Å; L844-M927 HydrophobicContact CD1-CG 3.78Å; L844-M927 HydrophobicContact CD1-SD 3.99Å; L916-M927 HydrophobicContact CB-CE 4.47Å; L916-M927 HydrophobicContact CB-SD 3.95Å; L916-M927 HydrophobicContact CD2-CE 4.21Å; L916-M927 HydrophobicContact CD2-SD 3.91Å; L916-M927 HydrophobicContact CG-SD 4.49Å; L916-M927 WeakPolarHBondContact O-CE 3.31Å; M919-M927 HydrophobicContact CB-CE 4.47Å; A920-M927 HydrophobicContact CB-CE 4.17Å; C925-M927 PolarHBondContact O-N 3.36Å; M927-V929 HydrophobicContact CG-CG2 3.71Å; M927-V929 HydrophobicContact SD-CG2 3.66Å; M927-K988 PolarHBondContact N-O 2.96Å; M927-I989 HydrophobicContact CB-CG1 4.29Å; M927-I989 HydrophobicContact CG-CG1 4.48Å; M927-I989 WeakPolarHBondContact O-CA 3.12Å; M927-I989 HydrophobicContact SD-CD1 3.94Å; M927-I989 HydrophobicContact SD-CG1 4.44Å; M927-E990 PolarHBondContact O-N 3.13Å |
| 928 | H | 94.5 | Very high | 86 | Confident | 39 Ų | 39 | 24.8 Ų | 24.8 | 18% | 0.181 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.2 | 174.7 | -178.5 | -62.9 | 0 | 0 | 0 | 108.9 | V930 G977 Y978 E990 F992 | H928-V930 VanDerWaalsContact CE1-CG2 3.44Å; H928-V930 WeakPolarHBondContact CE1-CG2 3.38Å; H928-G977 CarbonylContact O-C 3.51Å; H928-G977 WeakPolarHBondContact O-CA 3.39Å; H928-Y978 HydrophobicContact CB-CD1 4.33Å; H928-Y978 HydrophobicContact CB-CD2 4.34Å; H928-Y978 HydrophobicContact CB-CE1 3.81Å; H928-Y978 HydrophobicContact CB-CE2 3.84Å; H928-Y978 AromaticContact CD2-CZ 3.98Å; H928-Y978 PolarHBondContact CD2-OH 3.45Å; H928-Y978 VanDerWaalsContact CD2-OH 3.29Å; H928-Y978 AromaticContact CG-CE1 3.66Å; H928-Y978 AromaticContact CG-CZ 3.52Å; H928-Y978 PolarHBondContact N-O 3.12Å; H928-Y978 AromaticContact ND1-CE1 3.46Å; H928-Y978 WeakPolarHBondContact ND1-CE1 3.19Å; H928-Y978 AromaticContact ND1-CZ 3.81Å; H928-Y978 PolarHBondContact O-N 3.22Å; H928-E990 IonicContact CD2-OE2 2.61Å; H928-F992 AromaticContact CE1-CD2 3.78Å; H928-F992 AromaticContact CE1-CE2 3.77Å; H928-F992 AromaticContact NE2-CD2 3.95Å; H928-F992 AromaticContact NE2-CE2 3.44Å; H928-F992 WeakPolarHBondContact NE2-CE2 3.46Å |
| 929 | V | 95.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.4 | -176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | L916 M927 L931 V976 E990 I991 F992 | L916-V929 HydrophobicContact CD1-CG1 4.09Å; L916-V929 HydrophobicContact CD1-CG2 4.2Å; M927-V929 HydrophobicContact CG-CG2 3.71Å; M927-V929 HydrophobicContact SD-CG2 3.66Å; V929-L931 HydrophobicContact CG1-CD2 4.17Å; V929-L931 HydrophobicContact CG1-CG 4.39Å; V929-V976 CarbonylContact C-O 3.58Å; V929-V976 VanDerWaalsContact CA-O 3.24Å; V929-V976 WeakPolarHBondContact CA-O 3.16Å; V929-V976 WeakPolarHBondContact CG1-O 3.34Å; V929-E990 PolarHBondContact N-O 2.85Å; V929-I991 HydrophobicContact CB-CB 4.33Å; V929-I991 HydrophobicContact CB-CG1 4.12Å; V929-I991 HydrophobicContact CB-CG2 4.12Å; V929-I991 HydrophobicContact CG1-CG2 4.08Å; V929-I991 HydrophobicContact CG2-CG1 4.23Å; V929-F992 PolarHBondContact O-N 3.38Å |
| 930 | V | 93.7 | Very high | 85.2 | Confident | 57 Ų | 57 | 26.3 Ų | 26.3 | 35% | 0.345 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 109.8 | 170.8 | -174.3 | 0 | 0 | 0 | 0 | 107.3 | H928 P932 V976 F992 | H928-V930 VanDerWaalsContact CE1-CG2 3.44Å; H928-V930 WeakPolarHBondContact CE1-CG2 3.38Å; V930-P932 WeakPolarHBondContact O-CD 3.41Å; V930-V976 PolarHBondContact N-O 3.01Å; V930-F992 WeakPolarHBondContact CA-O 3.45Å; V930-F992 HydrophobicContact CG1-CB 4.47Å; V930-F992 HydrophobicContact CG2-CB 4.37Å |
| 931 | L | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.8 | 175.5 | -61.9 | 176.7 | 0 | 0 | 0 | 109.2 | L912 V929 F935 V942 L943 V976 F992 Y993 H994 | L912-L931 HydrophobicContact CD2-CD2 4.03Å; V929-L931 HydrophobicContact CG1-CD2 4.17Å; V929-L931 HydrophobicContact CG1-CG 4.39Å; L931-F935 HydrophobicContact CB-CD2 4.46Å; L931-V942 HydrophobicContact CD1-CG1 3.91Å; L931-L943 HydrophobicContact CD1-CD2 3.85Å; L931-L943 HydrophobicContact CD1-CG 4.14Å; L931-V976 HydrophobicContact CD2-CG1 4.38Å; L931-F992 PolarHBondContact N-O 2.69Å; L931-Y993 HydrophobicContact CB-CD2 4.23Å; L931-Y993 HydrophobicContact CD1-CD2 4.23Å; L931-H994 PolarHBondContact O-CD2 3.31Å; L931-H994 PolarHBondContact O-N 3.12Å; L931-H994 VanDerWaalsContact O-N 3.1Å |
| 932 | P | 80.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 21% | 0.208 | 17% | 0.174 | C | C | . | . | trans | -71.9 | 161.7 | -175.7 | 27.8 | -36.4 | 0 | 0 | 0 | 113.9 | V930 S934 F935 E974 | V930-P932 WeakPolarHBondContact O-CD 3.41Å; P932-S934 WeakPolarHBondContact CG-OG 3.29Å; P932-S934 PolarHBondContact O-N 2.81Å; P932-F935 HydrophobicContact CG-CD2 3.84Å; P932-F935 HydrophobicContact CG-CE2 3.81Å; P932-F935 WeakPolarHBondContact O-CD2 3.21Å; P932-F935 PolarHBondContact O-N 2.64Å; P932-E974 HydrophobicContact CG-CB 4.28Å; P932-E974 HydrophobicContact CG-CG 4.34Å | ||
| 933 | L | 69.3 | Low | 85.4 | Confident | 142 Ų | 142 | 28.5 Ų | 28.5 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -8.2 | 178 | -72.3 | 161.9 | 0 | 0 | 0 | 115.3 | H994 | L933-H994 HydrophobicContact CD2-CB 4.35Š|
| 934 | S | 72 | Confident | 85.8 | Confident | 46 Ų | 46 | 28.4 Ų | 28.4 | 32% | 0.322 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.1 | 170.9 | 38.9 | 0 | 0 | 0 | 0 | 113 | P932 A936 E974 | P932-S934 WeakPolarHBondContact CG-OG 3.29Å; P932-S934 PolarHBondContact O-N 2.81Å; S934-A936 PolarHBondContact O-N 2.78Å; S934-E974 WeakPolarHBondContact CB-OE1 3.34Å; S934-E974 PolarHBondContact OG-OE1 2.91Å |
| 935 | F | 71.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -87.6 | 80 | 173.5 | -69.4 | -74.1 | 0 | 0 | 0 | 111.8 | Y846 L853 L931 P932 S937 V942 Y993 | Y846-F935 HydrophobicContact CD1-CE1 4.38Å; Y846-F935 AromaticContact CD1-CZ 3.78Å; Y846-F935 HydrophobicContact CD1-CZ 3.78Å; Y846-F935 HydrophobicContact CE1-CE1 4.06Å; Y846-F935 AromaticContact CE1-CZ 3.93Å; Y846-F935 HydrophobicContact CE1-CZ 3.93Å; L853-F935 HydrophobicContact CB-CD1 4.45Å; L853-F935 HydrophobicContact CB-CE1 4.02Å; L853-F935 HydrophobicContact CB-CZ 4.49Å; L853-F935 HydrophobicContact CD2-CE1 3.72Å; L853-F935 HydrophobicContact CD2-CZ 3.63Å; L853-F935 HydrophobicContact CG-CE1 4.45Å; L931-F935 HydrophobicContact CB-CD2 4.46Å; P932-F935 HydrophobicContact CG-CD2 3.84Å; P932-F935 HydrophobicContact CG-CE2 3.81Å; P932-F935 WeakPolarHBondContact O-CD2 3.21Å; P932-F935 PolarHBondContact O-N 2.64Å; F935-S937 PolarHBondContact O-N 2.77Å; F935-S937 VanDerWaalsContact O-N 3.17Å; F935-V942 HydrophobicContact CB-CG1 3.98Å; F935-V942 HydrophobicContact CB-CG2 3.82Å; F935-V942 HydrophobicContact CD1-CG1 3.58Å; F935-V942 HydrophobicContact CD1-CG2 4.29Å; F935-V942 HydrophobicContact CD2-CG1 4.47Å; F935-V942 HydrophobicContact CE1-CG1 4.17Å; F935-V942 HydrophobicContact CG-CG1 3.75Å; F935-V942 HydrophobicContact CG-CG2 4.39Å; F935-Y993 PolarHBondContact O-OH 3.33Å | ||
| 936 | A | 70.4 | Confident | 86.8 | Confident | 87 Ų | 87 | 28.3 Ų | 28.3 | 72% | 0.719 | 17% | 0.173 | S | C | * | . | trans | -72.1 | -2.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S934 | S934-A936 PolarHBondContact O-N 2.78Š| ||
| 937 | S | 79 | Confident | 87.2 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -89.6 | 165 | 178.9 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | N856 F935 Y993 | N856-S937 PolarHBondContact ND2-OG 3.33Å; F935-S937 PolarHBondContact O-N 2.77Å; F935-S937 VanDerWaalsContact O-N 3.17Å; S937-Y993 PolarHBondContact O-OH 3.44Å |
| 938 | G | 85.6 | Confident | 87.4 | Confident | 25 Ų | 25 | 27.1 Ų | 27.1 | 26% | 0.258 | 17% | 0.167 | S | C | . | . | trans | -59.7 | 155 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H940 E941 V942 | G938-H940 PolarHBondContact O-N 3.37Å; G938-E941 VanDerWaalsContact C-OE2 3.23Å; G938-E941 VanDerWaalsContact CA-CD 3.47Å; G938-E941 WeakPolarHBondContact CA-OE1 3.48Å; G938-E941 WeakPolarHBondContact CA-OE2 3.48Å; G938-E941 PolarHBondContact N-OE1 3.04Å; G938-E941 VanDerWaalsContact N-OE1 3.07Å; G938-E941 WeakPolarHBondContact O-CB 3.16Å; G938-E941 PolarHBondContact O-N 3.39Å; G938-V942 WeakPolarHBondContact O-CG2 3.4Å; G938-V942 PolarHBondContact O-N 3.32Å | ||
| 939 | F | 86.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 25.3 Ų | 25.3 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -29.5 | -174.4 | 60.9 | -90.9 | 0 | 0 | 0 | 112.8 | L656 L943 Y993 V998 | L656-F939 HydrophobicContact CB-CE2 4.14Å; L656-F939 HydrophobicContact CD2-CD2 4.39Å; F939-L943 HydrophobicContact CB-CD1 4.4Å; F939-L943 HydrophobicContact CD2-CD1 4.49Å; F939-L943 WeakPolarHBondContact O-CB 3.27Å; F939-L943 VanDerWaalsContact O-CD1 3.29Å; F939-L943 WeakPolarHBondContact O-CD1 3.47Å; F939-L943 WeakPolarHBondContact O-CG 3.37Å; F939-L943 PolarHBondContact O-N 2.95Å; F939-Y993 HydrophobicContact CB-CD1 4.11Å; F939-Y993 HydrophobicContact CB-CD2 3.98Å; F939-Y993 HydrophobicContact CB-CE2 4.49Å; F939-Y993 HydrophobicContact CB-CG 3.79Å; F939-V998 HydrophobicContact CG-CG1 4.35Å |
| 940 | H | 89.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 173.2 | -72 | 149.2 | 0 | 0 | 0 | 111.6 | Y648 P654 L656 G938 L943 F944 | Y648-H940 HydrophobicContact CE1-CB 3.88Å; Y648-H940 AromaticContact CZ-ND1 3.88Å; Y648-H940 PolarHBondContact OH-ND1 3.26Å; P654-H940 PolarHBondContact O-CE1 2.76Å; P654-H940 VanDerWaalsContact O-CE1 3.22Å; L656-H940 WeakPolarHBondContact CA-NE2 3.2Å; L656-H940 PolarHBondContact N-NE2 3.19Å; G938-H940 PolarHBondContact O-N 3.37Å; H940-L943 PolarHBondContact O-N 3.08Å; H940-F944 HydrophobicContact CB-CD2 4.47Å; H940-F944 AromaticContact CD2-CE2 4Å; H940-F944 WeakPolarHBondContact O-CB 3.22Å; H940-F944 WeakPolarHBondContact O-CD2 3.39Å; H940-F944 PolarHBondContact O-N 3.28Å |
| 941 | E | 91.3 | Very high | 87.9 | Confident | 44 Ų | 44 | 22.6 Ų | 22.6 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 175.8 | -57 | 93.7 | 111 | 0 | 0 | 111 | Y648 N856 L858 G938 A945 | Y648-E941 HydrophobicContact CD1-CG 4.07Å; N856-E941 HydrophobicContact CB-CB 4.03Å; L858-E941 HydrophobicContact CD1-CB 4.44Å; L858-E941 HydrophobicContact CD1-CG 3.98Å; G938-E941 VanDerWaalsContact C-OE2 3.23Å; G938-E941 VanDerWaalsContact CA-CD 3.47Å; G938-E941 WeakPolarHBondContact CA-OE1 3.48Å; G938-E941 WeakPolarHBondContact CA-OE2 3.48Å; G938-E941 PolarHBondContact N-OE1 3.04Å; G938-E941 VanDerWaalsContact N-OE1 3.07Å; G938-E941 WeakPolarHBondContact O-CB 3.16Å; G938-E941 PolarHBondContact O-N 3.39Å; E941-A945 WeakPolarHBondContact O-CB 3.33Å; E941-A945 PolarHBondContact O-N 2.8Å |
| 942 | V | 91.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | -179.4 | -179.3 | 0 | 0 | 0 | 0 | 112.6 | L931 F935 G938 | L931-V942 HydrophobicContact CD1-CG1 3.91Å; F935-V942 HydrophobicContact CB-CG1 3.98Å; F935-V942 HydrophobicContact CB-CG2 3.82Å; F935-V942 HydrophobicContact CD1-CG1 3.58Å; F935-V942 HydrophobicContact CD1-CG2 4.29Å; F935-V942 HydrophobicContact CD2-CG1 4.47Å; F935-V942 HydrophobicContact CE1-CG1 4.17Å; F935-V942 HydrophobicContact CG-CG1 3.75Å; F935-V942 HydrophobicContact CG-CG2 4.39Å; G938-V942 WeakPolarHBondContact O-CG2 3.4Å; G938-V942 PolarHBondContact O-N 3.32Å |
| 943 | L | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -80 | -34.6 | -175.6 | -73.3 | 166.8 | 0 | 0 | 0 | 113.2 | L656 G911 L912 I913 L931 F939 H940 I991 | L656-L943 HydrophobicContact CD1-CD1 3.89Å; L656-L943 HydrophobicContact CD2-CD1 3.78Å; G911-L943 CarbonylContact C-O 3.49Å; L912-L943 PolarHBondContact N-O 2.83Å; I913-L943 HydrophobicContact CB-CB 4.03Å; I913-L943 HydrophobicContact CB-CD2 3.96Å; I913-L943 HydrophobicContact CD1-CB 4.46Å; I913-L943 HydrophobicContact CD1-CD1 4.28Å; I913-L943 HydrophobicContact CD1-CD2 4.27Å; I913-L943 HydrophobicContact CG1-CD2 4.31Å; I913-L943 HydrophobicContact CG2-CB 4.31Å; I913-L943 WeakPolarHBondContact CG2-O 3.27Å; I913-L943 PolarHBondContact N-O 2.85Å; L931-L943 HydrophobicContact CD1-CD2 3.85Å; L931-L943 HydrophobicContact CD1-CG 4.14Å; F939-L943 HydrophobicContact CB-CD1 4.4Å; F939-L943 HydrophobicContact CD2-CD1 4.49Å; F939-L943 WeakPolarHBondContact O-CB 3.27Å; F939-L943 VanDerWaalsContact O-CD1 3.29Å; F939-L943 WeakPolarHBondContact O-CD1 3.47Å; F939-L943 WeakPolarHBondContact O-CG 3.37Å; F939-L943 PolarHBondContact O-N 2.95Å; H940-L943 PolarHBondContact O-N 3.08Å; L943-I991 HydrophobicContact CD2-CG2 4.39Å |
| 944 | F | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -108.8 | 6.5 | -175.7 | -63.1 | -75 | 0 | 0 | 0 | 114.5 | L656 A659 L660 V663 L858 L863 G910 I913 H940 E946 | L656-F944 HydrophobicContact CD1-CE2 3.61Å; L656-F944 HydrophobicContact CD1-CZ 3.99Å; A659-F944 HydrophobicContact CB-CE2 3.89Å; A659-F944 HydrophobicContact CB-CZ 3.92Å; L660-F944 HydrophobicContact CB-CZ 4.17Å; L660-F944 HydrophobicContact CD1-CE1 4.39Å; V663-F944 HydrophobicContact CB-CE1 4.07Å; V663-F944 HydrophobicContact CG1-CD1 4.36Å; V663-F944 HydrophobicContact CG1-CE1 4.15Å; V663-F944 HydrophobicContact CG2-CD1 4.17Å; V663-F944 HydrophobicContact CG2-CE1 3.89Å; L858-F944 VanDerWaalsContact CD2-C 3.46Å; L858-F944 HydrophobicContact CD2-CB 3.77Å; L858-F944 WeakPolarHBondContact CD2-O 3.29Å; L863-F944 HydrophobicContact CB-CB 4.11Å; L863-F944 HydrophobicContact CB-CD1 4.45Å; L863-F944 HydrophobicContact CB-CG 4.25Å; L863-F944 HydrophobicContact CD2-CB 3.83Å; L863-F944 HydrophobicContact CD2-CD2 3.69Å; L863-F944 HydrophobicContact CD2-CE2 4.4Å; L863-F944 HydrophobicContact CD2-CG 3.86Å; G910-F944 WeakPolarHBondContact O-CD1 3.32Å; I913-F944 HydrophobicContact CG2-CD1 3.72Å; I913-F944 HydrophobicContact CG2-CE1 3.54Å; I913-F944 HydrophobicContact CG2-CG 4.41Å; I913-F944 HydrophobicContact CG2-CZ 4.13Å; H940-F944 HydrophobicContact CB-CD2 4.47Å; H940-F944 AromaticContact CD2-CE2 4Å; H940-F944 WeakPolarHBondContact O-CB 3.22Å; H940-F944 WeakPolarHBondContact O-CD2 3.39Å; H940-F944 PolarHBondContact O-N 3.28Å; F944-E946 WeakPolarHBondContact O-CG 3.4Å; F944-E946 PolarHBondContact O-N 3.49Å |
| 945 | A | 94.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | trans | -68.8 | 123.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N856 G911 E941 E947 | N856-A945 HydrophobicContact CB-CB 4.08Å; G911-A945 WeakPolarHBondContact CA-O 3.26Å; E941-A945 WeakPolarHBondContact O-CB 3.33Å; E941-A945 PolarHBondContact O-N 2.8Å; A945-E947 VanDerWaalsContact C-N 3.25Å; A945-E947 HydrophobicContact CB-CG 4.22Å; A945-E947 PolarHBondContact O-N 2.65Å | ||
| 946 | E | 97 | Very high | 92.4 | Very high | 3 Ų | 3 | 15.4 Ų | 15.4 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | trans | -95.8 | 50.2 | -175 | -53.9 | -173.2 | 175.4 | 0 | 0 | 110.5 | K726 M737 S861 A862 A875 S908 G910 F944 | K726-E946 IonicContact NZ-OE2 3.74Å; K726-E946 PolarHBondContact NZ-OE2 3.48Å; M737-E946 WeakPolarHBondContact CE-O 3.43Å; S861-E946 VanDerWaalsContact CA-CD 3.48Å; S861-E946 WeakPolarHBondContact CA-OE1 3.43Å; S861-E946 WeakPolarHBondContact CA-OE2 3.37Å; S861-E946 VanDerWaalsContact CB-CD 3.5Å; S861-E946 WeakPolarHBondContact CB-OE1 3.44Å; A862-E946 WeakPolarHBondContact CB-OE1 3.43Å; A862-E946 PolarHBondContact N-OE1 3.4Å; A875-E946 WeakPolarHBondContact CB-O 3.13Å; S908-E946 WeakPolarHBondContact O-CB 3.4Å; S908-E946 VanDerWaalsContact O-CG 3.26Å; S908-E946 WeakPolarHBondContact O-CG 3.18Å; G910-E946 PolarHBondContact N-OE1 3.36Å; F944-E946 WeakPolarHBondContact O-CG 3.4Å; F944-E946 PolarHBondContact O-N 3.49Å | ||
| 947 | E | 96.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | trans | -84.2 | 133.5 | 177 | -63 | -86.3 | 157.3 | 0 | 0 | 109.5 | R848 S851 K855 R857 A875 A945 G949 | R848-E947 VanDerWaalsContact NH2-C 3.32Å; R848-E947 PolarHBondContact NH2-O 3.21Å; S851-E947 WeakPolarHBondContact CB-OE2 3.46Å; S851-E947 PolarHBondContact OG-OE2 3.35Å; K855-E947 WeakPolarHBondContact O-CG 3.41Å; R857-E947 WeakPolarHBondContact CB-OE1 3.05Å; R857-E947 IonicContact CZ-OE1 2.76Å; R857-E947 VanDerWaalsContact CZ-OE1 3.25Å; R857-E947 IonicContact CZ-OE2 2.97Å; R857-E947 IonicContact NE-OE1 3.3Å; R857-E947 PolarHBondContact NE-OE1 2.93Å; R857-E947 IonicContact NH2-OE1 2.7Å; R857-E947 PolarHBondContact NH2-OE1 3.1Å; R857-E947 IonicContact NH2-OE2 3.7Å; R857-E947 PolarHBondContact NH2-OE2 2.96Å; A875-E947 HydrophobicContact CB-CG 4.2Å; A945-E947 VanDerWaalsContact C-N 3.25Å; A945-E947 HydrophobicContact CB-CG 4.22Å; A945-E947 PolarHBondContact O-N 2.65Å; E947-G949 PolarHBondContact O-N 3.49Å | ||
| 948 | A | 97.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -63.4 | 121.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M737 A740 T744 R848 F849 | M737-A948 HydrophobicContact CE-CB 3.93Å; M737-A948 HydrophobicContact SD-CB 4.31Å; A740-A948 HydrophobicContact CB-CB 3.57Å; T744-A948 HydrophobicContact CG2-CB 4.27Å; R848-A948 VanDerWaalsContact CZ-O 3.28Å; R848-A948 PolarHBondContact NH1-O 3.45Å; R848-A948 VanDerWaalsContact NH2-C 3.33Å; R848-A948 PolarHBondContact NH2-O 3.49Å; R848-A948 VanDerWaalsContact NH2-O 3.09Å; F849-A948 WeakPolarHBondContact CA-O 3.43Å; F849-A948 WeakPolarHBondContact CB-O 3.4Å; F849-A948 PolarHBondContact N-O 3.01Å; F849-A948 VanDerWaalsContact N-O 3.09Å |
| 949 | G | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | -174.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V847 D906 V907 E947 | V847-G949 WeakPolarHBondContact O-CA 3.42Å; D906-G949 CarbonylContact C-O 3.52Å; V907-G949 PolarHBondContact N-O 2.99Å; E947-G949 PolarHBondContact O-N 3.49Å |
| 950 | I | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.9 | 178.1 | 65.3 | 179.8 | 0 | 0 | 0 | 112.1 | T744 V747 F748 Y846 V847 F849 T890 H905 L952 | T744-I950 HydrophobicContact CG2-CG2 4.5Å; V747-I950 HydrophobicContact CG1-CD1 4.38Å; V747-I950 HydrophobicContact CG1-CG2 4.11Å; F748-I950 HydrophobicContact CE1-CG2 4.44Å; F748-I950 HydrophobicContact CE2-CG2 4.18Å; F748-I950 HydrophobicContact CZ-CB 3.91Å; F748-I950 HydrophobicContact CZ-CG2 3.59Å; Y846-I950 WeakPolarHBondContact CD2-O 3.08Å; V847-I950 HydrophobicContact CB-CG1 3.94Å; V847-I950 HydrophobicContact CG2-CG1 4.27Å; V847-I950 PolarHBondContact N-O 3.1Å; V847-I950 PolarHBondContact O-N 3.46Å; V847-I950 VanDerWaalsContact O-N 3.09Å; F849-I950 HydrophobicContact CD2-CG1 4.39Å; F849-I950 HydrophobicContact CE2-CD1 3.61Å; F849-I950 HydrophobicContact CE2-CG1 3.65Å; F849-I950 HydrophobicContact CE2-CG2 4.32Å; F849-I950 HydrophobicContact CZ-CD1 3.79Å; F849-I950 HydrophobicContact CZ-CG1 4.28Å; F849-I950 HydrophobicContact CZ-CG2 4.49Å; T890-I950 HydrophobicContact CG2-CD1 3.7Å; H905-I950 CarbonylContact O-C 3.55Å; H905-I950 VanDerWaalsContact O-CA 3.24Å; H905-I950 WeakPolarHBondContact O-CA 3.5Å; H905-I950 WeakPolarHBondContact O-CB 3.42Å; I950-L952 HydrophobicContact CD1-CD1 4.15Å; I950-L952 HydrophobicContact CD1-CD2 3.98Å; I950-L952 HydrophobicContact CD1-CG 4.03Å; I950-L952 HydrophobicContact CG1-CG 4.34Å |
| 951 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.7 | 163.5 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | L844 I845 Y846 G904 H905 V907 L912 L916 M919 | L844-V951 HydrophobicContact CB-CG1 4.43Å; L844-V951 HydrophobicContact CD2-CG1 4.35Å; I845-V951 CarbonylContact O-C 3.52Å; I845-V951 WeakPolarHBondContact O-CA 3.3Å; Y846-V951 HydrophobicContact CD2-CG2 4.14Å; G904-V951 WeakPolarHBondContact CA-O 3.47Å; H905-V951 PolarHBondContact N-O 2.73Å; H905-V951 PolarHBondContact O-N 2.78Å; V907-V951 HydrophobicContact CG2-CG2 4.47Å; L912-V951 HydrophobicContact CD1-CG2 3.61Å; L916-V951 HydrophobicContact CD2-CG1 4.04Å; L916-V951 HydrophobicContact CD2-CG2 4.35Å; M919-V951 HydrophobicContact SD-CB 3.96Å; M919-V951 HydrophobicContact SD-CG1 3.84Å |
| 952 | L | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.5 | 178.9 | -64.3 | 178.6 | 0 | 0 | 0 | 111.4 | F748 L844 I845 V901 I950 V954 Y966 | F748-L952 HydrophobicContact CE1-CD2 4.02Å; L844-L952 WeakPolarHBondContact CA-O 3.38Å; I845-L952 PolarHBondContact N-O 2.87Å; I845-L952 PolarHBondContact O-N 3.46Å; V901-L952 HydrophobicContact CG1-CD2 4.02Å; I950-L952 HydrophobicContact CD1-CD1 4.15Å; I950-L952 HydrophobicContact CD1-CD2 3.98Å; I950-L952 HydrophobicContact CD1-CG 4.03Å; I950-L952 HydrophobicContact CG1-CG 4.34Å; L952-V954 HydrophobicContact CB-CG2 4Å; L952-Y966 HydrophobicContact CD1-CE2 4.32Å; L952-Y966 WeakPolarHBondContact CD1-OH 3.24Å |
| 953 | Q | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.9 | 165.7 | -169 | -169.4 | 28 | 0 | 0 | 109.1 | L837 K838 A842 L844 Y902 A903 T979 | L837-Q953 HydrophobicContact CD2-CB 3.83Å; L837-Q953 HydrophobicContact CD2-CG 4Å; K838-Q953 PolarHBondContact O-NE2 2.92Å; A842-Q953 HydrophobicContact CB-CG 3.72Å; L844-Q953 HydrophobicContact CD2-CB 4.12Å; L844-Q953 HydrophobicContact CD2-CG 4.31Å; Y902-Q953 PolarHBondContact N-O 3.28Å; A903-Q953 HydrophobicContact CB-CB 3.9Å; A903-Q953 PolarHBondContact O-N 2.99Å; Q953-T979 HydrophobicContact CG-CG2 4.44Å; Q953-T979 PolarHBondContact NE2-OG1 3.21Å |
| 954 | V | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.8 | -172.1 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | A842 T843 I845 L952 S956 K958 V959 V962 | A842-V954 WeakPolarHBondContact CB-O 3.31Å; T843-V954 PolarHBondContact N-O 2.85Å; T843-V954 PolarHBondContact O-N 2.85Å; I845-V954 HydrophobicContact CD1-CB 4.25Å; I845-V954 HydrophobicContact CD1-CG1 4.48Å; I845-V954 HydrophobicContact CD1-CG2 4.05Å; L952-V954 HydrophobicContact CB-CG2 4Å; V954-S956 PolarHBondContact O-N 3.19Å; V954-K958 HydrophobicContact CG1-CB 3.99Å; V954-V959 HydrophobicContact CB-CG2 4.47Å; V954-V959 HydrophobicContact CG1-CG2 3.98Å; V954-V962 HydrophobicContact CG1-CB 4.37Å; V954-V962 HydrophobicContact CG1-CG2 3.8Å; V954-V962 HydrophobicContact CG2-CG1 4.32Å; V954-V962 HydrophobicContact CG2-CG2 4.42Å |
| 955 | P | 93.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 135.2 | 173.8 | 17.9 | -27.5 | 0 | 0 | 0 | 111.6 | Y902 F957 K958 | Y902-P955 HydrophobicContact CE1-CB 4.36Å; Y902-P955 HydrophobicContact CE1-CG 4.17Å; Y902-P955 HydrophobicContact CE2-CB 3.71Å; Y902-P955 HydrophobicContact CE2-CG 4.23Å; P955-F957 HydrophobicContact CB-CD1 3.9Å; P955-F957 HydrophobicContact CB-CE1 3.56Å; P955-F957 HydrophobicContact CB-CZ 4.09Å; P955-F957 HydrophobicContact CG-CE1 4.2Å; P955-F957 HydrophobicContact CG-CZ 4.22Å; P955-F957 PolarHBondContact O-N 3.24Å; P955-K958 HydrophobicContact CG-CB 4.19Å; P955-K958 HydrophobicContact CG-CG 4.13Å; P955-K958 PolarHBondContact O-N 2.83Å |
| 956 | S | 91.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 33 Ų | 33 | 46% | 0.462 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.7 | -170.2 | -56.4 | 0 | 0 | 0 | 0 | 115 | V954 | V954-S956 PolarHBondContact O-N 3.19Š|
| 957 | F | 92.6 | Very high | 96.2 | Very high | 144 Ų | 144 | 37.2 Ų | 37.2 | 63% | 0.632 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16 | 175.8 | 68 | -94.4 | 0 | 0 | 0 | 114.7 | P955 | P955-F957 HydrophobicContact CB-CD1 3.9Å; P955-F957 HydrophobicContact CB-CE1 3.56Å; P955-F957 HydrophobicContact CB-CZ 4.09Å; P955-F957 HydrophobicContact CG-CE1 4.2Å; P955-F957 HydrophobicContact CG-CZ 4.22Å; P955-F957 PolarHBondContact O-N 3.24Å |
| 958 | K | 94.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 42 Ų | 42 | 10% | 0.1 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.1 | 176.5 | -75.9 | -85.2 | -167 | 168.1 | 0 | 113.7 | D896 A900 V954 P955 Q960 D961 V962 | D896-K958 IonicContact OD1-NZ 3.59Å; D896-K958 PolarHBondContact OD1-NZ 2.9Å; D896-K958 IonicContact OD2-NZ 2.71Å; D896-K958 PolarHBondContact OD2-NZ 3.43Å; A900-K958 HydrophobicContact CB-CD 4.07Å; A900-K958 HydrophobicContact CB-CG 4.33Å; V954-K958 HydrophobicContact CG1-CB 3.99Å; P955-K958 HydrophobicContact CG-CB 4.19Å; P955-K958 HydrophobicContact CG-CG 4.13Å; P955-K958 PolarHBondContact O-N 2.83Å; K958-Q960 VanDerWaalsContact C-N 3.34Å; K958-Q960 PolarHBondContact O-N 2.9Å; K958-D961 PolarHBondContact O-N 2.76Å; K958-V962 HydrophobicContact CB-CG2 4.35Å; K958-V962 WeakPolarHBondContact O-CG2 3.31Å; K958-V962 PolarHBondContact O-N 2.88Å |
| 959 | V | 96.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.7 | -45.4 | -169.6 | 171.1 | 0 | 0 | 0 | 0 | 113.3 | T843 I845 V954 V962 L963 V975 | T843-V959 HydrophobicContact CG2-CG1 4.19Å; T843-V959 HydrophobicContact CG2-CG2 3.93Å; I845-V959 HydrophobicContact CD1-CG1 4.31Å; V954-V959 HydrophobicContact CB-CG2 4.47Å; V954-V959 HydrophobicContact CG1-CG2 3.98Å; V959-V962 PolarHBondContact O-N 3.38Å; V959-L963 HydrophobicContact CG1-CD1 3.86Å; V959-L963 HydrophobicContact CG1-CG 4.45Å; V959-L963 WeakPolarHBondContact O-CG 3.49Å; V959-L963 PolarHBondContact O-N 2.69Å; V959-V975 HydrophobicContact CG1-CG2 4.26Å |
| 960 | Q | 96.3 | Very high | 96 | Very high | 147 Ų | 147 | 48.6 Ų | 48.6 | 69% | 0.687 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.5 | -41.5 | 179.7 | -66.5 | -64.4 | -31.8 | 0 | 0 | 111.7 | K958 K964 | K958-Q960 VanDerWaalsContact C-N 3.34Å; K958-Q960 PolarHBondContact O-N 2.9Å; Q960-K964 WeakPolarHBondContact O-CB 2.94Å; Q960-K964 PolarHBondContact O-N 3.46Å |
| 961 | D | 95.4 | Very high | 95.9 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.9 | -61.9 | -28.2 | 0 | 0 | 0 | 112 | K958 K965 | K958-D961 PolarHBondContact O-N 2.76Å; D961-K965 WeakPolarHBondContact O-CG 3.2Å; D961-K965 PolarHBondContact O-N 2.83Å |
| 962 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -53 | 177.8 | 172 | 0 | 0 | 0 | 0 | 111 | I845 L893 V954 K958 V959 K964 K965 Y966 | I845-V962 HydrophobicContact CD1-CB 4.15Å; I845-V962 HydrophobicContact CD1-CG1 3.72Å; L893-V962 HydrophobicContact CD1-CB 4.45Å; L893-V962 HydrophobicContact CD1-CG1 3.8Å; L893-V962 HydrophobicContact CD1-CG2 4.09Å; L893-V962 HydrophobicContact CD2-CG2 3.83Å; V954-V962 HydrophobicContact CG1-CB 4.37Å; V954-V962 HydrophobicContact CG1-CG2 3.8Å; V954-V962 HydrophobicContact CG2-CG1 4.32Å; V954-V962 HydrophobicContact CG2-CG2 4.42Å; K958-V962 HydrophobicContact CB-CG2 4.35Å; K958-V962 WeakPolarHBondContact O-CG2 3.31Å; K958-V962 PolarHBondContact O-N 2.88Å; V959-V962 PolarHBondContact O-N 3.38Å; V962-K964 VanDerWaalsContact C-N 3.3Å; V962-K964 PolarHBondContact O-N 2.63Å; V962-K965 PolarHBondContact O-N 2.83Å; V962-Y966 HydrophobicContact CG1-CD2 4.03Å; V962-Y966 HydrophobicContact CG1-CE2 3.73Å; V962-Y966 VanDerWaalsContact O-CD2 3.24Å; V962-Y966 WeakPolarHBondContact O-CD2 3.37Å; V962-Y966 PolarHBondContact O-N 3.28Å |
| 963 | L | 96.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 176.6 | -69.3 | 168.9 | 0 | 0 | 0 | 110.7 | I845 V959 K965 Y966 H967 V975 | I845-L963 HydrophobicContact CD1-CD2 4.07Å; I845-L963 HydrophobicContact CD1-CG 4.06Å; I845-L963 HydrophobicContact CG1-CD2 4.36Å; I845-L963 HydrophobicContact CG2-CD2 3.84Å; V959-L963 HydrophobicContact CG1-CD1 3.86Å; V959-L963 HydrophobicContact CG1-CG 4.45Å; V959-L963 WeakPolarHBondContact O-CG 3.49Å; V959-L963 PolarHBondContact O-N 2.69Å; L963-K965 PolarHBondContact O-N 3Å; L963-Y966 PolarHBondContact O-N 2.67Å; L963-H967 WeakPolarHBondContact O-CB 3.35Å; L963-H967 VanDerWaalsContact O-CG 3.25Å; L963-H967 PolarHBondContact O-N 3.37Å; L963-V975 HydrophobicContact CD1-CG2 3.83Å; L963-V975 HydrophobicContact CD2-CG2 4.43Å |
| 964 | K | 97.1 | Very high | 95.4 | Very high | 112 Ų | 112 | 52.7 Ų | 52.7 | 49% | 0.487 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | 179.1 | -169.3 | -171.5 | -171.9 | -44.9 | 0 | 112.3 | Q960 V962 Y966 H967 D968 | Q960-K964 WeakPolarHBondContact O-CB 2.94Å; Q960-K964 PolarHBondContact O-N 3.46Å; V962-K964 VanDerWaalsContact C-N 3.3Å; V962-K964 PolarHBondContact O-N 2.63Å; K964-Y966 VanDerWaalsContact C-N 3.32Å; K964-Y966 PolarHBondContact O-N 2.72Å; K964-H967 PolarHBondContact O-N 2.57Å; K964-D968 IonicContact NZ-OD1 3.48Å; K964-D968 PolarHBondContact NZ-OD1 2.63Å; K964-D968 IonicContact NZ-OD2 3.64Å; K964-D968 PolarHBondContact NZ-OD2 2.7Å; K964-D968 VanDerWaalsContact O-CB 3.26Å; K964-D968 WeakPolarHBondContact O-CB 3.43Å; K964-D968 PolarHBondContact O-N 2.93Å |
| 965 | K | 96.9 | Very high | 95.4 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 177.1 | -77.6 | 172.6 | 177.5 | -178.1 | 0 | 112.1 | I889 L893 D961 V962 L963 S969 | I889-K965 HydrophobicContact CG2-CB 3.79Å; L893-K965 HydrophobicContact CD2-CD 3.87Å; D961-K965 WeakPolarHBondContact O-CG 3.2Å; D961-K965 PolarHBondContact O-N 2.83Å; V962-K965 PolarHBondContact O-N 2.83Å; L963-K965 PolarHBondContact O-N 3Å; K965-S969 VanDerWaalsContact O-CB 3.32Å; K965-S969 WeakPolarHBondContact O-CB 3.39Å; K965-S969 PolarHBondContact O-N 3.4Å; K965-S969 PolarHBondContact O-OG 3.05Å |
| 966 | Y | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.4 | -47.3 | 176.3 | -70.4 | -63.9 | 0 | 0 | 0 | 112.3 | V847 I889 T890 L893 L952 V962 L963 K964 S969 N970 V971 S973 | V847-Y966 HydrophobicContact CG1-CD1 3.95Å; V847-Y966 HydrophobicContact CG1-CE1 3.83Å; V847-Y966 HydrophobicContact CG1-CG 4.43Å; V847-Y966 HydrophobicContact CG2-CD2 4.28Å; V847-Y966 HydrophobicContact CG2-CE1 4.43Å; V847-Y966 HydrophobicContact CG2-CE2 3.89Å; I889-Y966 HydrophobicContact CB-CD1 4Å; I889-Y966 HydrophobicContact CB-CE1 3.68Å; I889-Y966 HydrophobicContact CD1-CD1 3.75Å; I889-Y966 HydrophobicContact CD1-CE1 4.26Å; I889-Y966 HydrophobicContact CG2-CD1 3.7Å; I889-Y966 HydrophobicContact CG2-CD2 4.35Å; I889-Y966 HydrophobicContact CG2-CE1 3.47Å; I889-Y966 VanDerWaalsContact CG2-CE1 3.47Å; I889-Y966 HydrophobicContact CG2-CE2 4.14Å; I889-Y966 HydrophobicContact CG2-CG 4.14Å; T890-Y966 PolarHBondContact OG1-OH 2.88Å; L893-Y966 HydrophobicContact CD1-CE2 3.96Å; L952-Y966 HydrophobicContact CD1-CE2 4.32Å; L952-Y966 WeakPolarHBondContact CD1-OH 3.24Å; V962-Y966 HydrophobicContact CG1-CD2 4.03Å; V962-Y966 HydrophobicContact CG1-CE2 3.73Å; V962-Y966 VanDerWaalsContact O-CD2 3.24Å; V962-Y966 WeakPolarHBondContact O-CD2 3.37Å; V962-Y966 PolarHBondContact O-N 3.28Å; L963-Y966 PolarHBondContact O-N 2.67Å; K964-Y966 VanDerWaalsContact C-N 3.32Å; K964-Y966 PolarHBondContact O-N 2.72Å; Y966-S969 CarbonylContact O-C 3.58Å; Y966-S969 WeakPolarHBondContact O-CA 3.49Å; Y966-S969 WeakPolarHBondContact O-CB 3.26Å; Y966-S969 PolarHBondContact O-N 2.9Å; Y966-S969 VanDerWaalsContact O-N 3.16Å; Y966-N970 PolarHBondContact O-N 3.1Å; Y966-V971 CarbonylContact C-O 3.52Å; Y966-V971 HydrophobicContact CD1-CB 4Å; Y966-V971 HydrophobicContact CD1-CG1 3.78Å; Y966-V971 HydrophobicContact CD1-CG2 4.46Å; Y966-V971 HydrophobicContact CG-CG1 4.45Å; Y966-V971 PolarHBondContact O-N 3.26Å; Y966-S973 VanDerWaalsContact CB-OG 3.24Å; Y966-S973 WeakPolarHBondContact CB-OG 3.34Å |
| 967 | H | 96.3 | Very high | 95.6 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 43% | 0.431 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | -178.7 | -67.8 | 176 | 0 | 0 | 0 | 112.8 | L963 K964 S969 N970 S973 | L963-H967 WeakPolarHBondContact O-CB 3.35Å; L963-H967 VanDerWaalsContact O-CG 3.25Å; L963-H967 PolarHBondContact O-N 3.37Å; K964-H967 PolarHBondContact O-N 2.57Å; H967-S969 PolarHBondContact O-N 2.66Å; H967-N970 WeakPolarHBondContact O-CA 3.46Å; H967-N970 PolarHBondContact O-N 2.96Å; H967-S973 PolarHBondContact CD2-OG 3.42Å; H967-S973 PolarHBondContact NE2-O 3.5Å; H967-S973 PolarHBondContact NE2-OG 2.82Å |
| 968 | D | 96.7 | Very high | 95.7 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53 | -39 | 172.9 | -72.8 | -12.1 | 0 | 0 | 0 | 110.7 | K964 N970 | K964-D968 IonicContact NZ-OD1 3.48Å; K964-D968 PolarHBondContact NZ-OD1 2.63Å; K964-D968 IonicContact NZ-OD2 3.64Å; K964-D968 PolarHBondContact NZ-OD2 2.7Å; K964-D968 VanDerWaalsContact O-CB 3.26Å; K964-D968 WeakPolarHBondContact O-CB 3.43Å; K964-D968 PolarHBondContact O-N 2.93Å; D968-N970 PolarHBondContact O-N 3.31Å; D968-N970 PolarHBondContact O-ND2 2.65Å |
| 969 | S | 95.5 | Very high | 95.7 | Very high | 35 Ų | 35 | 49.3 Ų | 49.3 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.3 | -179.6 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | R885 I889 K965 Y966 H967 V971 | R885-S969 WeakPolarHBondContact CD-O 3.44Å; R885-S969 PolarHBondContact NE-O 2.82Å; R885-S969 PolarHBondContact NH1-O 2.89Å; R885-S969 VanDerWaalsContact NH1-O 3.09Å; I889-S969 VanDerWaalsContact CD1-CB 3.49Å; I889-S969 WeakPolarHBondContact CD1-OG 3.32Å; K965-S969 VanDerWaalsContact O-CB 3.32Å; K965-S969 WeakPolarHBondContact O-CB 3.39Å; K965-S969 PolarHBondContact O-N 3.4Å; K965-S969 PolarHBondContact O-OG 3.05Å; Y966-S969 CarbonylContact O-C 3.58Å; Y966-S969 WeakPolarHBondContact O-CA 3.49Å; Y966-S969 WeakPolarHBondContact O-CB 3.26Å; Y966-S969 PolarHBondContact O-N 2.9Å; Y966-S969 VanDerWaalsContact O-N 3.16Å; H967-S969 PolarHBondContact O-N 2.66Å; S969-V971 VanDerWaalsContact C-N 3.28Å; S969-V971 PolarHBondContact O-N 3.49Å |
| 970 | N | 94.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 57% | 0.572 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.4 | -174.1 | -66.3 | -110.2 | 0 | 0 | 0 | 112.6 | Q882 Y966 H967 D968 | Q882-N970 WeakPolarHBondContact CG-O 3.46Å; Q882-N970 PolarHBondContact NE2-O 3.39Å; Y966-N970 PolarHBondContact O-N 3.1Å; H967-N970 WeakPolarHBondContact O-CA 3.46Å; H967-N970 PolarHBondContact O-N 2.96Å; D968-N970 PolarHBondContact O-N 3.31Å; D968-N970 PolarHBondContact O-ND2 2.65Å |
| 971 | V | 96.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | trans | -99.4 | 123.2 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | V847 R885 A886 I889 Y966 S969 S973 | V847-V971 HydrophobicContact CG1-CG1 3.58Å; R885-V971 HydrophobicContact CB-CG2 3.86Å; A886-V971 HydrophobicContact CB-CG1 3.62Å; A886-V971 HydrophobicContact CB-CG2 4.04Å; I889-V971 HydrophobicContact CD1-CG2 4.18Å; Y966-V971 CarbonylContact C-O 3.52Å; Y966-V971 HydrophobicContact CD1-CB 4Å; Y966-V971 HydrophobicContact CD1-CG1 3.78Å; Y966-V971 HydrophobicContact CD1-CG2 4.46Å; Y966-V971 HydrophobicContact CG-CG1 4.45Å; Y966-V971 PolarHBondContact O-N 3.26Å; S969-V971 VanDerWaalsContact C-N 3.28Å; S969-V971 PolarHBondContact O-N 3.49Å; V971-S973 PolarHBondContact O-N 3.14Å | ||
| 972 | P | 94.3 | Very high | 92.8 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | trans | -67.7 | 122.1 | 178.1 | -13.2 | 27.4 | 0 | 0 | 0 | 110.1 | R848 L853 | R848-P972 HydrophobicContact CB-CB 4.06Å; R848-P972 HydrophobicContact CB-CG 4.12Å; R848-P972 HydrophobicContact CG-CB 4.3Å; R848-P972 PolarHBondContact N-O 3.45Å; L853-P972 HydrophobicContact CD1-CB 3.86Å; L853-P972 HydrophobicContact CD2-CB 4.48Å; L853-P972 HydrophobicContact CG-CB 3.83Å | ||
| 973 | S | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.7 | 175.1 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | Y846 Y966 H967 V971 | Y846-S973 CarbonylContact O-C 3.54Å; Y846-S973 WeakPolarHBondContact O-CA 3.21Å; Y966-S973 VanDerWaalsContact CB-OG 3.24Å; Y966-S973 WeakPolarHBondContact CB-OG 3.34Å; H967-S973 PolarHBondContact CD2-OG 3.42Å; H967-S973 PolarHBondContact NE2-O 3.5Å; H967-S973 PolarHBondContact NE2-OG 2.82Å; V971-S973 PolarHBondContact O-N 3.14Å |
| 974 | E | 93.9 | Very high | 88.8 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.4 | -175.1 | -74.3 | -76.5 | -151.9 | 0 | 0 | 110.7 | I845 Y846 L853 P932 S934 V976 | I845-E974 CarbonylContact C-O 3.49Å; I845-E974 VanDerWaalsContact CA-O 3.32Å; I845-E974 WeakPolarHBondContact CA-O 3.43Å; Y846-E974 PolarHBondContact N-O 2.96Å; Y846-E974 PolarHBondContact O-N 3.35Å; L853-E974 HydrophobicContact CD1-CG 3.68Å; P932-E974 HydrophobicContact CG-CB 4.28Å; P932-E974 HydrophobicContact CG-CG 4.34Å; S934-E974 WeakPolarHBondContact CB-OE1 3.34Å; S934-E974 PolarHBondContact OG-OE1 2.91Å; E974-V976 PolarHBondContact O-N 2.72Å |
| 975 | V | 95.6 | Very high | 87.1 | Confident | 59 Ų | 59 | 54.4 Ų | 54.4 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 119.2 | 165.5 | 177.1 | 0 | 0 | 0 | 0 | 108 | T843 I845 V959 L963 | T843-V975 HydrophobicContact CG2-CB 4.49Å; T843-V975 HydrophobicContact CG2-CG1 3.62Å; T843-V975 HydrophobicContact CG2-CG2 4.12Å; I845-V975 HydrophobicContact CG1-CG2 4.48Å; V959-V975 HydrophobicContact CG1-CG2 4.26Å; L963-V975 HydrophobicContact CD1-CG2 3.83Å; L963-V975 HydrophobicContact CD2-CG2 4.43Å |
| 976 | V | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -7.5 | 179 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | L844 Y846 V929 V930 L931 E974 | L844-V976 HydrophobicContact CB-CG2 4.03Å; L844-V976 PolarHBondContact O-N 2.88Å; Y846-V976 HydrophobicContact CD1-CG1 4.32Å; Y846-V976 HydrophobicContact CG-CG1 4.46Å; V929-V976 CarbonylContact C-O 3.58Å; V929-V976 VanDerWaalsContact CA-O 3.24Å; V929-V976 WeakPolarHBondContact CA-O 3.16Å; V929-V976 WeakPolarHBondContact CG1-O 3.34Å; V930-V976 PolarHBondContact N-O 3.01Å; L931-V976 HydrophobicContact CD2-CG1 4.38Å; E974-V976 PolarHBondContact O-N 2.72Å |
| 977 | G | 94.1 | Very high | 85.3 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -162.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | L844 H928 | L844-G977 PolarHBondContact N-O 3.32Å; L844-G977 PolarHBondContact O-N 3.47Å; H928-G977 CarbonylContact O-C 3.51Å; H928-G977 WeakPolarHBondContact O-CA 3.39Å |
| 978 | Y | 94.8 | Very high | 85.1 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.5 | 175.1 | 58.6 | -86.7 | 0 | 0 | 0 | 112.1 | A842 H928 | A842-Y978 CarbonylContact O-C 3.53Å; A842-Y978 VanDerWaalsContact O-CA 3.24Å; A842-Y978 WeakPolarHBondContact O-CA 3.44Å; A842-Y978 VanDerWaalsContact O-CB 3.3Å; A842-Y978 WeakPolarHBondContact O-CB 3.17Å; H928-Y978 HydrophobicContact CB-CD1 4.33Å; H928-Y978 HydrophobicContact CB-CD2 4.34Å; H928-Y978 HydrophobicContact CB-CE1 3.81Å; H928-Y978 HydrophobicContact CB-CE2 3.84Å; H928-Y978 AromaticContact CD2-CZ 3.98Å; H928-Y978 PolarHBondContact CD2-OH 3.45Å; H928-Y978 VanDerWaalsContact CD2-OH 3.29Å; H928-Y978 AromaticContact CG-CE1 3.66Å; H928-Y978 AromaticContact CG-CZ 3.52Å; H928-Y978 PolarHBondContact N-O 3.12Å; H928-Y978 AromaticContact ND1-CE1 3.46Å; H928-Y978 WeakPolarHBondContact ND1-CE1 3.19Å; H928-Y978 AromaticContact ND1-CZ 3.81Å; H928-Y978 PolarHBondContact O-N 3.22Å |
| 979 | T | 93.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 154.9 | 168.1 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | L837 V840 Q841 A842 L844 N926 Q953 | L837-T979 HydrophobicContact CD1-CG2 3.97Å; L837-T979 HydrophobicContact CD2-CG2 4.11Å; L837-T979 HydrophobicContact CG-CG2 4.5Å; V840-T979 PolarHBondContact O-OG1 3.5Å; Q841-T979 WeakPolarHBondContact CA-O 3.41Å; A842-T979 PolarHBondContact N-O 2.81Å; A842-T979 PolarHBondContact N-OG1 2.97Å; A842-T979 PolarHBondContact O-N 3.3Å; L844-T979 HydrophobicContact CD1-CG2 4.33Å; L844-T979 HydrophobicContact CD2-CG2 4.09Å; L844-T979 HydrophobicContact CG-CG2 4.3Å; N926-T979 VanDerWaalsContact O-CA 3.28Å; N926-T979 WeakPolarHBondContact O-CA 3.19Å; Q953-T979 HydrophobicContact CG-CG2 4.44Å; Q953-T979 PolarHBondContact NE2-OG1 3.21Å |
| 980 | S | 84.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 54 Ų | 54 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.1 | 170 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | N926 | N926-S980 WeakPolarHBondContact CB-OG 3.29Å; N926-S980 PolarHBondContact O-N 2.95Å |
| 981 | V | 75.8 | Confident | 84.9 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | trans | -75.8 | 132 | 174.5 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | S983 | V981-S983 PolarHBondContact O-N 3.31Š| ||
| 982 | N | 68.4 | Low | 84.8 | Confident | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | trans | -68 | 119.8 | -179.3 | -47.2 | 1.1 | 0 | 0 | 0 | 109.7 | N924 N926 C984 | N924-N982 PolarHBondContact O-ND2 2.8Å; N924-N982 PolarHBondContact O-OD1 2.88Å; N926-N982 PolarHBondContact N-OD1 2.99Å; N982-C984 VanDerWaalsContact C-N 3.27Å; N982-C984 WeakPolarHBondContact CB-O 3.41Å | ||
| 983 | S | 55.6 | Low | 84.6 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 81% | 0.811 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -81 | -9.6 | 170.6 | 50.3 | 0 | 0 | 0 | 0 | 113.2 | V981 | V981-S983 PolarHBondContact O-N 3.31Š|
| 984 | C | 53.1 | Low | 84.1 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 62% | 0.615 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -121.6 | 170.5 | 178.8 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | N982 E986 | N982-C984 VanDerWaalsContact C-N 3.27Å; N982-C984 WeakPolarHBondContact CB-O 3.41Å; C984-E986 PolarHBondContact O-N 2.96Å |
| 985 | S | 61.4 | Low | 83.8 | Confident | 114 Ų | 114 | 58.6 Ų | 58.6 | 80% | 0.797 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -63.7 | -26.7 | 174.1 | 45 | 0 | 0 | 0 | 0 | 114 | ||
| 986 | E | 72 | Confident | 83.5 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -104.5 | 138.3 | -175.5 | -72.6 | 173.2 | -132.9 | 0 | 0 | 111.4 | C984 C1002 | C984-E986 PolarHBondContact O-N 2.96Å; E986-C1002 PolarHBondContact OE2-SG 3.2Å |
| 987 | A | 85.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -84.2 | 138.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N926 C1002 V1003 | N926-A987 WeakPolarHBondContact OD1-CA 3.34Å; A987-C1002 CarbonylContact O-C 3.58Å; A987-C1002 WeakPolarHBondContact O-CA 3.25Å; A987-C1002 PolarHBondContact O-SG 3.07Å; A987-V1003 HydrophobicContact CB-CB 3.99Å; A987-V1003 HydrophobicContact CB-CG2 3.78Å; A987-V1003 WeakPolarHBondContact O-CG2 3.48Å; A987-V1003 PolarHBondContact O-N 3.07Å | ||
| 988 | K | 91.5 | Very high | 83.4 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.1 | 176 | -71.3 | -169.4 | 170.7 | -161.9 | 0 | 112.9 | N926 M927 G1001 | N926-K988 CarbonylContact C-O 3.58Å; N926-K988 VanDerWaalsContact CA-O 3.32Å; N926-K988 WeakPolarHBondContact CA-O 3.49Å; N926-K988 PolarHBondContact OD1-N 3.12Å; M927-K988 PolarHBondContact N-O 2.96Å; K988-G1001 WeakPolarHBondContact CA-O 3.5Å |
| 989 | I | 92.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.6 | 163 | -170.6 | 168.8 | 0 | 0 | 0 | 110.2 | L917 M927 I991 E1000 G1001 V1003 | L917-I989 HydrophobicContact CD2-CD1 3.71Å; L917-I989 HydrophobicContact CD2-CG2 4.32Å; L917-I989 HydrophobicContact CG-CD1 4.3Å; M927-I989 HydrophobicContact CB-CG1 4.29Å; M927-I989 HydrophobicContact CG-CG1 4.48Å; M927-I989 WeakPolarHBondContact O-CA 3.12Å; M927-I989 HydrophobicContact SD-CD1 3.94Å; M927-I989 HydrophobicContact SD-CG1 4.44Å; I989-I991 HydrophobicContact CD1-CD1 4.06Å; I989-I991 HydrophobicContact CD1-CG1 4.14Å; I989-I991 HydrophobicContact CG1-CD1 4.48Å; I989-I991 HydrophobicContact CG1-CG1 4.04Å; I989-E1000 CarbonylContact O-C 3.55Å; I989-E1000 WeakPolarHBondContact O-CA 3.5Å; I989-G1001 PolarHBondContact N-O 3.01Å; I989-G1001 PolarHBondContact O-N 3.33Å; I989-V1003 HydrophobicContact CB-CG2 4.26Å; I989-V1003 HydrophobicContact CG2-CG2 4.5Å |
| 990 | E | 95.1 | Very high | 83.3 | Confident | 59 Ų | 59 | 67 Ų | 67 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.4 | 174.5 | -70 | 165.7 | -166.9 | 0 | 0 | 107.3 | M927 H928 V929 F992 L997 | M927-E990 PolarHBondContact O-N 3.13Å; H928-E990 IonicContact CD2-OE2 2.61Å; V929-E990 PolarHBondContact N-O 2.85Å; E990-F992 HydrophobicContact CB-CE2 4.1Å; E990-L997 HydrophobicContact CB-CD1 4.43Å |
| 991 | I | 94.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 116.5 | 179.2 | -51.1 | -176.1 | 0 | 0 | 0 | 109.4 | I913 V929 L943 I989 V998 L999 | I913-I991 HydrophobicContact CD1-CD1 4.3Å; I913-I991 HydrophobicContact CG1-CD1 4.21Å; V929-I991 HydrophobicContact CB-CB 4.33Å; V929-I991 HydrophobicContact CB-CG1 4.12Å; V929-I991 HydrophobicContact CB-CG2 4.12Å; V929-I991 HydrophobicContact CG1-CG2 4.08Å; V929-I991 HydrophobicContact CG2-CG1 4.23Å; L943-I991 HydrophobicContact CD2-CG2 4.39Å; I989-I991 HydrophobicContact CD1-CD1 4.06Å; I989-I991 HydrophobicContact CD1-CG1 4.14Å; I989-I991 HydrophobicContact CG1-CD1 4.48Å; I989-I991 HydrophobicContact CG1-CG1 4.04Å; I991-V998 HydrophobicContact CB-CG2 4.32Å; I991-V998 HydrophobicContact CG2-CG2 3.99Å; I991-V998 VanDerWaalsContact O-CG2 3.28Å; I991-V998 WeakPolarHBondContact O-CG2 3.27Å; I991-V998 PolarHBondContact O-N 3.02Å; I991-L999 HydrophobicContact CB-CB 4.02Å; I991-L999 HydrophobicContact CD1-CB 4.21Å; I991-L999 HydrophobicContact CD1-CD2 3.81Å; I991-L999 HydrophobicContact CG1-CB 4.17Å; I991-L999 HydrophobicContact CG1-CD2 4.38Å; I991-L999 PolarHBondContact N-O 3.43Å; I991-L999 PolarHBondContact O-N 3.46Å |
| 992 | F | 94.6 | Very high | 84.3 | Confident | 47 Ų | 47 | 63 Ų | 63 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.4 | 171.9 | -63.3 | -100.7 | 0 | 0 | 0 | 110.2 | H928 V929 V930 L931 E990 H994 K996 L997 | H928-F992 AromaticContact CE1-CD2 3.78Å; H928-F992 AromaticContact CE1-CE2 3.77Å; H928-F992 AromaticContact NE2-CD2 3.95Å; H928-F992 AromaticContact NE2-CE2 3.44Å; H928-F992 WeakPolarHBondContact NE2-CE2 3.46Å; V929-F992 PolarHBondContact O-N 3.38Å; V930-F992 WeakPolarHBondContact CA-O 3.45Å; V930-F992 HydrophobicContact CG1-CB 4.47Å; V930-F992 HydrophobicContact CG2-CB 4.37Å; L931-F992 PolarHBondContact N-O 2.69Å; E990-F992 HydrophobicContact CB-CE2 4.1Å; F992-H994 WeakPolarHBondContact CB-O 3.3Å; F992-K996 CarbonylContact C-O 3.47Å; F992-K996 WeakPolarHBondContact CA-O 3.34Å; F992-L997 HydrophobicContact CD1-CB 4.01Å; F992-L997 HydrophobicContact CD1-CD1 4.35Å; F992-L997 HydrophobicContact CD2-CD1 4.22Å; F992-L997 HydrophobicContact CE1-CB 3.82Å; F992-L997 HydrophobicContact CE1-CD1 4.06Å; F992-L997 HydrophobicContact CE1-CG 4.49Å; F992-L997 HydrophobicContact CE2-CD1 3.91Å; F992-L997 HydrophobicContact CG-CD1 4.43Å; F992-L997 HydrophobicContact CZ-CB 4.4Å; F992-L997 HydrophobicContact CZ-CD1 3.82Å |
| 993 | Y | 89.5 | Confident | 85.3 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 14% | 0.141 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 108.8 | 165.5 | 174.2 | -104.3 | 0 | 0 | 0 | 107.6 | L931 F935 S937 F939 D995 K996 | L931-Y993 HydrophobicContact CB-CD2 4.23Å; L931-Y993 HydrophobicContact CD1-CD2 4.23Å; F935-Y993 PolarHBondContact O-OH 3.33Å; S937-Y993 PolarHBondContact O-OH 3.44Å; F939-Y993 HydrophobicContact CB-CD1 4.11Å; F939-Y993 HydrophobicContact CB-CD2 3.98Å; F939-Y993 HydrophobicContact CB-CE2 4.49Å; F939-Y993 HydrophobicContact CB-CG 3.79Å; Y993-D995 PolarHBondContact O-N 2.84Å; Y993-K996 PolarHBondContact N-O 3.3Å; Y993-K996 WeakPolarHBondContact O-CB 3.25Å; Y993-K996 PolarHBondContact O-N 2.82Å |
| 994 | H | 86 | Confident | 86.7 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 21% | 0.208 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -129.2 | -159.2 | -45.6 | 145.8 | 0 | 0 | 0 | 109.9 | L931 L933 F992 K996 | L931-H994 PolarHBondContact O-CD2 3.31Å; L931-H994 PolarHBondContact O-N 3.12Å; L931-H994 VanDerWaalsContact O-N 3.1Å; L933-H994 HydrophobicContact CD2-CB 4.35Å; F992-H994 WeakPolarHBondContact CB-O 3.3Å; H994-K996 VanDerWaalsContact C-N 3.31Å |
| 995 | D | 86.7 | Confident | 88.5 | Confident | 162 Ų | 162 | 57.8 Ų | 57.8 | 87% | 0.866 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.2 | 178.2 | -47.9 | -55.9 | 0 | 0 | 0 | 113.7 | Y993 | Y993-D995 PolarHBondContact O-N 2.84Š|
| 996 | K | 90 | Very high | 90.1 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.3 | -175.1 | -175.6 | -167.2 | 172.4 | -168.6 | 0 | 110.9 | F992 Y993 H994 V998 | F992-K996 CarbonylContact C-O 3.47Å; F992-K996 WeakPolarHBondContact CA-O 3.34Å; Y993-K996 PolarHBondContact N-O 3.3Å; Y993-K996 WeakPolarHBondContact O-CB 3.25Å; Y993-K996 PolarHBondContact O-N 2.82Å; H994-K996 VanDerWaalsContact C-N 3.31Å; K996-V998 HydrophobicContact CD-CG1 4.18Å; K996-V998 HydrophobicContact CG-CG1 4.38Å; K996-V998 PolarHBondContact O-N 3.3Å |
| 997 | L | 93.9 | Very high | 91 | Very high | 68 Ų | 68 | 48.3 Ų | 48.3 | 36% | 0.356 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 122.6 | 165.5 | -173.3 | 66 | 0 | 0 | 0 | 109.7 | E990 F992 L999 E1000 | E990-L997 HydrophobicContact CB-CD1 4.43Å; F992-L997 HydrophobicContact CD1-CB 4.01Å; F992-L997 HydrophobicContact CD1-CD1 4.35Å; F992-L997 HydrophobicContact CD2-CD1 4.22Å; F992-L997 HydrophobicContact CE1-CB 3.82Å; F992-L997 HydrophobicContact CE1-CD1 4.06Å; F992-L997 HydrophobicContact CE1-CG 4.49Å; F992-L997 HydrophobicContact CE2-CD1 3.91Å; F992-L997 HydrophobicContact CG-CD1 4.43Å; F992-L997 HydrophobicContact CZ-CB 4.4Å; F992-L997 HydrophobicContact CZ-CD1 3.82Å; L997-L999 WeakPolarHBondContact CD1-O 3.44Å; L997-E1000 HydrophobicContact CD1-CB 4.34Å; L997-E1000 HydrophobicContact CD2-CB 4.2Å; L997-E1000 HydrophobicContact CD2-CG 4.19Å |
| 998 | V | 92.1 | Very high | 91.3 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -26 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 113 | L656 F939 I991 K996 | L656-V998 HydrophobicContact CD2-CB 3.93Å; L656-V998 HydrophobicContact CD2-CG2 3.98Å; F939-V998 HydrophobicContact CG-CG1 4.35Å; I991-V998 HydrophobicContact CB-CG2 4.32Å; I991-V998 HydrophobicContact CG2-CG2 3.99Å; I991-V998 VanDerWaalsContact O-CG2 3.28Å; I991-V998 WeakPolarHBondContact O-CG2 3.27Å; I991-V998 PolarHBondContact O-N 3.02Å; K996-V998 HydrophobicContact CD-CG1 4.18Å; K996-V998 HydrophobicContact CG-CG1 4.38Å; K996-V998 PolarHBondContact O-N 3.3Å |
| 999 | L | 93.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.3 | 172.8 | -163.8 | 77.9 | 0 | 0 | 0 | 110.1 | L656 E657 L660 I913 I991 L997 W1006 | L656-L999 HydrophobicContact CD2-CB 4.12Å; L656-L999 HydrophobicContact CD2-CD1 4.38Å; L656-L999 HydrophobicContact CG-CD1 4.4Å; E657-L999 HydrophobicContact CG-CD1 4.09Å; L660-L999 HydrophobicContact CD2-CD1 4.31Å; L660-L999 HydrophobicContact CD2-CD2 3.98Å; I913-L999 HydrophobicContact CD1-CD2 4.38Å; I991-L999 HydrophobicContact CB-CB 4.02Å; I991-L999 HydrophobicContact CD1-CB 4.21Å; I991-L999 HydrophobicContact CD1-CD2 3.81Å; I991-L999 HydrophobicContact CG1-CB 4.17Å; I991-L999 HydrophobicContact CG1-CD2 4.38Å; I991-L999 PolarHBondContact N-O 3.43Å; I991-L999 PolarHBondContact O-N 3.46Å; L997-L999 WeakPolarHBondContact CD1-O 3.44Å; L999-W1006 HydrophobicContact CD1-CH2 4.04Å; L999-W1006 HydrophobicContact CD1-CZ2 3.64Å; L999-W1006 HydrophobicContact CD2-CZ2 4.43Å; L999-W1006 HydrophobicContact CG-CZ2 4.16Å |
| 1000 | E | 93.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.9 | 164.4 | 59.3 | 170 | -175.6 | 0 | 0 | 110.7 | I989 L997 | I989-E1000 CarbonylContact O-C 3.55Å; I989-E1000 WeakPolarHBondContact O-CA 3.5Å; L997-E1000 HydrophobicContact CD1-CB 4.34Å; L997-E1000 HydrophobicContact CD2-CB 4.2Å; L997-E1000 HydrophobicContact CD2-CG 4.19Å |
| 1001 | G | 90.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 49 Ų | 49 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | 175.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115 | K988 I989 | K988-G1001 WeakPolarHBondContact CA-O 3.5Å; I989-G1001 PolarHBondContact N-O 3.01Å; I989-G1001 PolarHBondContact O-N 3.33Å |
| 1002 | C | 90.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.6 | 164.6 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | E986 A987 D1004 R1005 | E986-C1002 PolarHBondContact OE2-SG 3.2Å; A987-C1002 CarbonylContact O-C 3.58Å; A987-C1002 WeakPolarHBondContact O-CA 3.25Å; A987-C1002 PolarHBondContact O-SG 3.07Å; C1002-D1004 PolarHBondContact O-N 3.3Å; C1002-R1005 WeakPolarHBondContact O-CB 3.44Å; C1002-R1005 PolarHBondContact O-N 3.01Å |
| 1003 | V | 89.5 | Confident | 91.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -35.5 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | A920 F921 A987 I989 R1005 W1006 R1007 | A920-V1003 HydrophobicContact CB-CG1 4.02Å; A920-V1003 HydrophobicContact CB-CG2 4.26Å; F921-V1003 HydrophobicContact CD1-CG1 3.7Å; F921-V1003 HydrophobicContact CE1-CG1 4.17Å; A987-V1003 HydrophobicContact CB-CB 3.99Å; A987-V1003 HydrophobicContact CB-CG2 3.78Å; A987-V1003 WeakPolarHBondContact O-CG2 3.48Å; A987-V1003 PolarHBondContact O-N 3.07Å; I989-V1003 HydrophobicContact CB-CG2 4.26Å; I989-V1003 HydrophobicContact CG2-CG2 4.5Å; V1003-R1005 VanDerWaalsContact C-N 3.3Å; V1003-R1005 PolarHBondContact O-N 3.06Å; V1003-W1006 PolarHBondContact O-N 3.47Å; V1003-R1007 WeakPolarHBondContact O-CB 3.41Å; V1003-R1007 PolarHBondContact O-N 3.24Å |
| 1004 | D | 86.4 | Confident | 91.7 | Very high | 37 Ų | 37 | 47 Ų | 47 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -34.5 | 178.2 | -71.2 | 33.6 | 0 | 0 | 0 | 113.1 | C1002 W1006 R1007 Q1008 | C1002-D1004 PolarHBondContact O-N 3.3Å; D1004-W1006 VanDerWaalsContact C-N 3.33Å; D1004-W1006 PolarHBondContact O-N 2.87Å; D1004-R1007 PolarHBondContact O-N 3.25Å; D1004-R1007 IonicContact OD1-CZ 2.61Å; D1004-R1007 IonicContact OD1-NH1 3.98Å; D1004-R1007 PolarHBondContact OD1-NH1 3.28Å; D1004-R1007 IonicContact OD1-NH2 3.95Å; D1004-R1007 PolarHBondContact OD1-NH2 3.02Å; D1004-R1007 VanDerWaalsContact OD1-NH2 3.09Å; D1004-R1007 IonicContact OD2-CZ 2.76Å; D1004-R1007 IonicContact OD2-NH1 2.88Å; D1004-R1007 IonicContact OD2-NH2 2.83Å; D1004-R1007 PolarHBondContact OD2-NH2 2.73Å; D1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; D1004-Q1008 VanDerWaalsContact O-CG 3.24Å; D1004-Q1008 WeakPolarHBondContact O-CG 3.49Å; D1004-Q1008 PolarHBondContact O-N 2.93Å |
| 1005 | R | 91 | Very high | 92 | Very high | 96 Ų | 96 | 48.2 Ų | 48.2 | 36% | 0.362 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.7 | 178.9 | -171.6 | 176.5 | -155.2 | -4.3 | 110.6 | E657 C1002 V1003 Q1009 | E657-R1005 VanDerWaalsContact CD-NH2 3.3Å; E657-R1005 IonicContact OE1-CZ 3.12Å; E657-R1005 IonicContact OE1-NH1 3.77Å; E657-R1005 PolarHBondContact OE1-NH1 3.26Å; E657-R1005 IonicContact OE1-NH2 3.65Å; E657-R1005 PolarHBondContact OE1-NH2 2.75Å; E657-R1005 IonicContact OE2-CZ 3.33Å; E657-R1005 IonicContact OE2-NH1 2.87Å; E657-R1005 IonicContact OE2-NH2 2.79Å; E657-R1005 PolarHBondContact OE2-NH2 3.15Å; C1002-R1005 WeakPolarHBondContact O-CB 3.44Å; C1002-R1005 PolarHBondContact O-N 3.01Å; V1003-R1005 VanDerWaalsContact C-N 3.3Å; V1003-R1005 PolarHBondContact O-N 3.06Å; R1005-Q1009 WeakPolarHBondContact O-CG 3.23Å; R1005-Q1009 PolarHBondContact O-N 3.31Å |
| 1006 | W | 93.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.9 | -38.9 | -178 | -56.9 | 118.7 | 0 | 0 | 0 | 111.2 | E657 L660 L664 L917 F921 L999 V1003 D1004 Q1008 Q1009 W1010 | E657-W1006 HydrophobicContact CB-CH2 4.15Å; E657-W1006 HydrophobicContact CG-CH2 3.88Å; E657-W1006 HydrophobicContact CG-CZ2 4.49Å; L660-W1006 HydrophobicContact CD2-CD2 4.08Å; L660-W1006 HydrophobicContact CD2-CE3 3.75Å; L660-W1006 HydrophobicContact CD2-CH2 4.36Å; L660-W1006 HydrophobicContact CD2-CZ3 3.91Å; L660-W1006 HydrophobicContact CG-CE3 4.41Å; L664-W1006 HydrophobicContact CD1-CB 4.39Å; L664-W1006 HydrophobicContact CD1-CE3 4.32Å; L917-W1006 HydrophobicContact CD2-CB 3.98Å; L917-W1006 HydrophobicContact CD2-CG 4.17Å; F921-W1006 HydrophobicContact CE1-CB 3.83Å; F921-W1006 HydrophobicContact CZ-CB 3.87Å; L999-W1006 HydrophobicContact CD1-CH2 4.04Å; L999-W1006 HydrophobicContact CD1-CZ2 3.64Å; L999-W1006 HydrophobicContact CD2-CZ2 4.43Å; L999-W1006 HydrophobicContact CG-CZ2 4.16Å; V1003-W1006 PolarHBondContact O-N 3.47Å; D1004-W1006 VanDerWaalsContact C-N 3.33Å; D1004-W1006 PolarHBondContact O-N 2.87Å; W1006-Q1008 VanDerWaalsContact C-N 3.32Å; W1006-Q1008 PolarHBondContact O-N 3.23Å; W1006-Q1009 PolarHBondContact O-N 3.45Å; W1006-Q1009 VanDerWaalsContact O-N 3.12Å; W1006-W1010 PolarHBondContact O-N 3.45Å |
| 1007 | R | 92.5 | Very high | 92.3 | Very high | 25 Ų | 25 | 38 Ų | 38 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 174.9 | -163.6 | 171.9 | 67.1 | -114.1 | -7.1 | 112 | F921 N924 V1003 D1004 Q1009 W1010 E1011 H1034 | F921-R1007 HydrophobicContact CB-CG 4.02Å; F921-R1007 HydrophobicContact CD1-CB 3.57Å; F921-R1007 HydrophobicContact CD1-CG 3.89Å; F921-R1007 HydrophobicContact CD2-CG 4.26Å; F921-R1007 HydrophobicContact CE1-CB 3.75Å; F921-R1007 HydrophobicContact CE1-CG 4.46Å; F921-R1007 VanDerWaalsContact CE1-N 3.27Å; F921-R1007 HydrophobicContact CG-CB 4Å; F921-R1007 HydrophobicContact CG-CG 3.79Å; F921-R1007 HydrophobicContact CZ-CB 4.3Å; N924-R1007 PolarHBondContact OD1-NH1 3.46Å; N924-R1007 VanDerWaalsContact OD1-NH1 3.08Å; V1003-R1007 WeakPolarHBondContact O-CB 3.41Å; V1003-R1007 PolarHBondContact O-N 3.24Å; D1004-R1007 PolarHBondContact O-N 3.25Å; D1004-R1007 IonicContact OD1-CZ 2.61Å; D1004-R1007 IonicContact OD1-NH1 3.98Å; D1004-R1007 PolarHBondContact OD1-NH1 3.28Å; D1004-R1007 IonicContact OD1-NH2 3.95Å; D1004-R1007 PolarHBondContact OD1-NH2 3.02Å; D1004-R1007 VanDerWaalsContact OD1-NH2 3.09Å; D1004-R1007 IonicContact OD2-CZ 2.76Å; D1004-R1007 IonicContact OD2-NH1 2.88Å; D1004-R1007 IonicContact OD2-NH2 2.83Å; D1004-R1007 PolarHBondContact OD2-NH2 2.73Å; R1007-Q1009 PolarHBondContact O-N 2.98Å; R1007-W1010 PolarHBondContact O-N 2.71Å; R1007-E1011 WeakPolarHBondContact O-CB 3.27Å; R1007-E1011 WeakPolarHBondContact O-CG 3.28Å; R1007-E1011 PolarHBondContact O-N 3.15Å; R1007-H1034 PolarHBondContact NH2-CE1 2.81Å; R1007-H1034 VanDerWaalsContact NH2-CE1 3.34Å |
| 1008 | Q | 91.4 | Very high | 91.9 | Very high | 129 Ų | 129 | 35.2 Ų | 35.2 | 60% | 0.603 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -64.2 | -35.3 | 175.1 | -76.7 | 172 | 5.3 | 0 | 0 | 113.2 | D1004 W1006 E1012 | D1004-Q1008 WeakPolarHBondContact O-CB 3.35Å; D1004-Q1008 VanDerWaalsContact O-CG 3.24Å; D1004-Q1008 WeakPolarHBondContact O-CG 3.49Å; D1004-Q1008 PolarHBondContact O-N 2.93Å; W1006-Q1008 VanDerWaalsContact C-N 3.32Å; W1006-Q1008 PolarHBondContact O-N 3.23Å; Q1008-E1012 PolarHBondContact O-N 3.06Å |
| 1009 | Q | 94.1 | Very high | 91.6 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 175.4 | -63.3 | -168.2 | 17.6 | 0 | 0 | 112 | S661 L664 R1005 W1006 R1007 E1012 | S661-Q1009 PolarHBondContact OG-OE1 3.37Å; L664-Q1009 HydrophobicContact CD1-CB 4.4Å; R1005-Q1009 WeakPolarHBondContact O-CG 3.23Å; R1005-Q1009 PolarHBondContact O-N 3.31Å; W1006-Q1009 PolarHBondContact O-N 3.45Å; W1006-Q1009 VanDerWaalsContact O-N 3.12Å; R1007-Q1009 PolarHBondContact O-N 2.98Å; Q1009-E1012 WeakPolarHBondContact O-CB 3.37Å; Q1009-E1012 PolarHBondContact O-N 3.33Å |
| 1010 | W | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.9 | -35 | 176.8 | 177.3 | 84.7 | 0 | 0 | 0 | 113.4 | L664 V669 S671 T698 P699 V700 E918 F921 W1006 R1007 E1012 | L664-W1010 HydrophobicContact CB-CB 4.28Å; L664-W1010 HydrophobicContact CD2-CB 4.24Å; L664-W1010 HydrophobicContact CD2-CG 4.45Å; L664-W1010 WeakPolarHBondContact O-CA 3.45Å; V669-W1010 PolarHBondContact O-NE1 2.78Å; S671-W1010 WeakPolarHBondContact CB-O 3.38Å; S671-W1010 PolarHBondContact N-O 3.26Å; T698-W1010 HydrophobicContact CG2-CH2 3.65Å; T698-W1010 HydrophobicContact CG2-CZ3 3.83Å; P699-W1010 HydrophobicContact CG-CH2 4.02Å; V700-W1010 HydrophobicContact CG1-CH2 3.72Å; V700-W1010 HydrophobicContact CG1-CZ2 3.54Å; E918-W1010 HydrophobicContact CG-CZ2 4.27Å; E918-W1010 WeakPolarHBondContact OE1-CZ2 3.35Å; E918-W1010 PolarHBondContact OE1-NE1 2.9Å; F921-W1010 HydrophobicContact CD2-CB 4.48Å; F921-W1010 AromaticContact CD2-CD2 3.83Å; F921-W1010 HydrophobicContact CD2-CD2 3.83Å; F921-W1010 AromaticContact CD2-CE3 3.82Å; F921-W1010 HydrophobicContact CD2-CE3 3.82Å; F921-W1010 HydrophobicContact CD2-CG 4.15Å; F921-W1010 HydrophobicContact CD2-CZ3 4.36Å; F921-W1010 HydrophobicContact CE2-CB 3.68Å; F921-W1010 AromaticContact CE2-CD2 3.82Å; F921-W1010 HydrophobicContact CE2-CD2 3.82Å; F921-W1010 HydrophobicContact CE2-CE3 4.17Å; F921-W1010 AromaticContact CE2-CG 3.62Å; F921-W1010 HydrophobicContact CE2-CG 3.62Å; F921-W1010 HydrophobicContact CZ-CB 4.24Å; W1006-W1010 PolarHBondContact O-N 3.45Å; R1007-W1010 PolarHBondContact O-N 2.71Å; W1010-E1012 VanDerWaalsContact C-N 3.32Å |
| 1011 | E | 93.6 | Very high | 90.5 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.159 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.6 | -13.9 | 170.3 | -66.8 | -78.6 | -168.7 | 0 | 0 | 113 | S671 R673 R1007 T1013 S1014 Y1015 | S671-E1011 WeakPolarHBondContact CB-OE2 3.49Å; S671-E1011 PolarHBondContact OG-OE2 2.81Å; R673-E1011 IonicContact CZ-OE1 2.67Å; R673-E1011 IonicContact NE-OE1 3.64Å; R673-E1011 PolarHBondContact NE-OE1 2.95Å; R673-E1011 IonicContact NE-OE2 3.25Å; R673-E1011 PolarHBondContact NE-OE2 2.7Å; R673-E1011 IonicContact NH2-OE1 3.64Å; R673-E1011 PolarHBondContact NH2-OE1 3.13Å; R1007-E1011 WeakPolarHBondContact O-CB 3.27Å; R1007-E1011 WeakPolarHBondContact O-CG 3.28Å; R1007-E1011 PolarHBondContact O-N 3.15Å; E1011-T1013 PolarHBondContact O-N 2.96Å; E1011-S1014 VanDerWaalsContact O-CB 3.3Å; E1011-S1014 WeakPolarHBondContact O-CB 3.18Å; E1011-S1014 PolarHBondContact O-N 3.19Å; E1011-Y1015 WeakPolarHBondContact O-CB 3.29Å; E1011-Y1015 PolarHBondContact O-N 3.11Å |
| 1012 | E | 94.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.178 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -51.9 | -167.6 | -169.8 | 176 | -171.2 | 0 | 0 | 112.8 | Y360 R665 Q1008 Q1009 W1010 S1014 Y1015 R1016 | Y360-E1012 HydrophobicContact CE2-CG 3.77Å; Y360-E1012 WeakPolarHBondContact CE2-OE1 3.21Å; R665-E1012 IonicContact CZ-OE2 2.74Å; R665-E1012 IonicContact NE-OE2 3.88Å; R665-E1012 PolarHBondContact NE-OE2 3.04Å; R665-E1012 IonicContact NH2-OE2 3.71Å; R665-E1012 PolarHBondContact NH2-OE2 3.44Å; Q1008-E1012 PolarHBondContact O-N 3.06Å; Q1009-E1012 WeakPolarHBondContact O-CB 3.37Å; Q1009-E1012 PolarHBondContact O-N 3.33Å; W1010-E1012 VanDerWaalsContact C-N 3.32Å; E1012-S1014 PolarHBondContact O-N 3.18Å; E1012-Y1015 PolarHBondContact O-N 3.01Å; E1012-Y1015 VanDerWaalsContact O-N 3.16Å; E1012-R1016 HydrophobicContact CG-CG 4.18Å; E1012-R1016 WeakPolarHBondContact O-CG 3.12Å; E1012-R1016 PolarHBondContact O-N 2.84Å; E1012-R1016 IonicContact OE1-CZ 2.71Å; E1012-R1016 IonicContact OE1-NE 3.72Å; E1012-R1016 PolarHBondContact OE1-NE 2.71Å; E1012-R1016 IonicContact OE1-NH2 2.79Å; E1012-R1016 PolarHBondContact OE1-NH2 2.91Å |
| 1013 | T | 95.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.7 | -37.6 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | Y360 R665 E1011 R1016 I1017 | Y360-T1013 HydrophobicContact CE1-CG2 4.42Å; Y360-T1013 WeakPolarHBondContact CE1-OG1 3.43Å; Y360-T1013 PolarHBondContact OH-N 2.82Å; Y360-T1013 PolarHBondContact OH-OG1 2.83Å; R665-T1013 PolarHBondContact O-OG1 3.15Å; E1011-T1013 PolarHBondContact O-N 2.96Å; T1013-R1016 PolarHBondContact O-N 2.87Å; T1013-I1017 HydrophobicContact CG2-CD1 4.28Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.3Å; T1013-I1017 PolarHBondContact O-N 3Å; T1013-I1017 VanDerWaalsContact O-N 3.16Å |
| 1014 | S | 92.8 | Very high | 87.7 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -52.9 | 174 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | S671 R673 Y674 E1011 E1012 R1016 I1017 E1018 | S671-S1014 WeakPolarHBondContact O-CB 3.26Å; R673-S1014 WeakPolarHBondContact CB-OG 3.33Å; Y674-S1014 PolarHBondContact N-OG 3.17Å; E1011-S1014 VanDerWaalsContact O-CB 3.3Å; E1011-S1014 WeakPolarHBondContact O-CB 3.18Å; E1011-S1014 PolarHBondContact O-N 3.19Å; E1012-S1014 PolarHBondContact O-N 3.18Å; S1014-R1016 VanDerWaalsContact C-N 3.32Å; S1014-R1016 PolarHBondContact O-N 3.35Å; S1014-I1017 PolarHBondContact O-N 2.83Å; S1014-E1018 WeakPolarHBondContact O-CB 3.41Å; S1014-E1018 PolarHBondContact O-N 2.86Å |
| 1015 | Y | 90.6 | Very high | 87 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 28% | 0.275 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 176.7 | 157.2 | -107.4 | 0 | 0 | 0 | 113.1 | E1011 E1012 E1018 R1019 A1027 D1028 | E1011-Y1015 WeakPolarHBondContact O-CB 3.29Å; E1011-Y1015 PolarHBondContact O-N 3.11Å; E1012-Y1015 PolarHBondContact O-N 3.01Å; E1012-Y1015 VanDerWaalsContact O-N 3.16Å; Y1015-E1018 PolarHBondContact O-N 2.65Å; Y1015-R1019 HydrophobicContact CD2-CG 4.24Å; Y1015-R1019 HydrophobicContact CE2-CG 3.85Å; Y1015-R1019 PolarHBondContact O-N 2.93Å; Y1015-R1019 WeakPolarHBondContact OH-CD 3.19Å; Y1015-R1019 PolarHBondContact OH-NH1 2.96Å; Y1015-A1027 WeakPolarHBondContact CD2-O 3.17Å; Y1015-D1028 VanDerWaalsContact CE2-OD1 3.29Å; Y1015-D1028 WeakPolarHBondContact CE2-OD1 3.49Å; Y1015-D1028 PolarHBondContact OH-OD1 2.91Å |
| 1016 | R | 93 | Very high | 86 | Confident | 74 Ų | 74 | 32 Ų | 32 | 28% | 0.279 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 177.2 | -64.5 | -73.8 | -176.8 | 148.6 | 3.7 | 111.6 | I357 G359 Y360 E1012 T1013 S1014 | I357-R1016 HydrophobicContact CD1-CB 4.21Å; I357-R1016 HydrophobicContact CG2-CB 4.29Å; G359-R1016 PolarHBondContact O-NH1 3.31Å; Y360-R1016 HydrophobicContact CD1-CB 4.31Å; Y360-R1016 HydrophobicContact CD1-CG 3.9Å; Y360-R1016 HydrophobicContact CD2-CG 4.15Å; Y360-R1016 HydrophobicContact CE1-CG 4.06Å; Y360-R1016 HydrophobicContact CE2-CG 4.33Å; Y360-R1016 HydrophobicContact CG-CG 3.92Å; E1012-R1016 HydrophobicContact CG-CG 4.18Å; E1012-R1016 WeakPolarHBondContact O-CG 3.12Å; E1012-R1016 PolarHBondContact O-N 2.84Å; E1012-R1016 IonicContact OE1-CZ 2.71Å; E1012-R1016 IonicContact OE1-NE 3.72Å; E1012-R1016 PolarHBondContact OE1-NE 2.71Å; E1012-R1016 IonicContact OE1-NH2 2.79Å; E1012-R1016 PolarHBondContact OE1-NH2 2.91Å; T1013-R1016 PolarHBondContact O-N 2.87Å; S1014-R1016 VanDerWaalsContact C-N 3.32Å; S1014-R1016 PolarHBondContact O-N 3.35Å |
| 1017 | I | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 173.9 | -62.4 | 166.1 | 0 | 0 | 0 | 110.4 | L355 I357 L379 I383 Y674 T1013 S1014 R1019 M1020 Q1021 | L355-I1017 HydrophobicContact CD1-CD1 4.06Å; I357-I1017 HydrophobicContact CD1-CG1 3.83Å; L379-I1017 HydrophobicContact CD1-CG1 4.49Å; I383-I1017 HydrophobicContact CD1-CG2 4.3Å; I383-I1017 HydrophobicContact CG1-CG2 3.82Å; Y674-I1017 HydrophobicContact CD1-CD1 4.34Å; Y674-I1017 HydrophobicContact CD2-CB 4.15Å; Y674-I1017 HydrophobicContact CD2-CD1 3.99Å; Y674-I1017 HydrophobicContact CD2-CG2 3.61Å; Y674-I1017 HydrophobicContact CE1-CD1 4.18Å; Y674-I1017 HydrophobicContact CE2-CD1 3.82Å; Y674-I1017 HydrophobicContact CE2-CG2 4.24Å; Y674-I1017 HydrophobicContact CG-CB 4.24Å; Y674-I1017 HydrophobicContact CG-CD1 4.25Å; Y674-I1017 HydrophobicContact CG-CG2 4.13Å; T1013-I1017 HydrophobicContact CG2-CD1 4.28Å; T1013-I1017 WeakPolarHBondContact O-CG1 3.3Å; T1013-I1017 PolarHBondContact O-N 3Å; T1013-I1017 VanDerWaalsContact O-N 3.16Å; S1014-I1017 PolarHBondContact O-N 2.83Å; I1017-R1019 VanDerWaalsContact C-N 3.3Å; I1017-R1019 PolarHBondContact O-N 2.92Å; I1017-M1020 WeakPolarHBondContact O-CB 3.35Å; I1017-M1020 PolarHBondContact O-N 3.02Å; I1017-Q1021 PolarHBondContact O-N 3.25Å |
| 1018 | E | 83.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | -178.3 | -166.2 | 54.9 | -144.1 | 0 | 0 | 112.2 | Y674 S1014 Y1015 M1020 Q1021 C1022 A1027 K1204 | Y674-E1018 WeakPolarHBondContact CA-OE2 3.34Å; S1014-E1018 WeakPolarHBondContact O-CB 3.41Å; S1014-E1018 PolarHBondContact O-N 2.86Å; Y1015-E1018 PolarHBondContact O-N 2.65Å; E1018-M1020 VanDerWaalsContact C-N 3.27Å; E1018-M1020 PolarHBondContact O-N 2.96Å; E1018-Q1021 PolarHBondContact O-N 2.76Å; E1018-Q1021 VanDerWaalsContact O-N 3.17Å; E1018-Q1021 PolarHBondContact OE2-NE2 2.7Å; E1018-C1022 PolarHBondContact O-N 3.45Å; E1018-C1022 PolarHBondContact O-SG 3.33Å; E1018-C1022 VanDerWaalsContact O-SG 3.34Å; E1018-C1022 WeakPolarHBondContact OE1-CB 3.26Å; E1018-C1022 PolarHBondContact OE1-SG 3.14Å; E1018-A1027 HydrophobicContact CB-CB 4.3Å; E1018-A1027 HydrophobicContact CG-CB 4Å; E1018-K1204 WeakPolarHBondContact OE1-CE 3.32Å; E1018-K1204 IonicContact OE1-NZ 2.89Å; E1018-K1204 PolarHBondContact OE1-NZ 2.82Å |
| 1019 | R | 85.7 | Confident | 83.3 | Confident | 98 Ų | 98 | 31.1 Ų | 31.1 | 37% | 0.37 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65 | -21.9 | 173.3 | -81.3 | -179.1 | 53.3 | 141.4 | -6.4 | 115.2 | Y1015 I1017 V1024 A1027 D1028 | Y1015-R1019 HydrophobicContact CD2-CG 4.24Å; Y1015-R1019 HydrophobicContact CE2-CG 3.85Å; Y1015-R1019 PolarHBondContact O-N 2.93Å; Y1015-R1019 WeakPolarHBondContact OH-CD 3.19Å; Y1015-R1019 PolarHBondContact OH-NH1 2.96Å; I1017-R1019 VanDerWaalsContact C-N 3.3Å; I1017-R1019 PolarHBondContact O-N 2.92Å; R1019-V1024 HydrophobicContact CG-CG1 4.3Å; R1019-A1027 HydrophobicContact CB-CB 4.44Å; R1019-A1027 HydrophobicContact CG-CB 3.57Å; R1019-D1028 WeakPolarHBondContact CD-OD1 3.32Å; R1019-D1028 IonicContact CZ-OD1 3.85Å; R1019-D1028 IonicContact NE-OD1 2.86Å; R1019-D1028 IonicContact NH1-OD1 3.1Å; R1019-D1028 PolarHBondContact NH1-OD1 2.86Å; R1019-D1028 IonicContact NH1-OD2 2.96Å |
| 1020 | M | 84.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 31 Ų | 31 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -86.7 | -18.5 | 175.5 | -63.2 | -175.3 | 72.2 | 0 | 0 | 112 | C21 I357 P358 L379 I383 I1017 E1018 | C21-M1020 VanDerWaalsContact SG-CE 3.54Å; I357-M1020 HydrophobicContact CG2-SD 4.13Å; P358-M1020 HydrophobicContact CG-CE 4.43Å; L379-M1020 HydrophobicContact CD2-CE 3.85Å; L379-M1020 HydrophobicContact CD2-SD 3.95Å; I383-M1020 HydrophobicContact CD1-CB 4.06Å; I1017-M1020 WeakPolarHBondContact O-CB 3.35Å; I1017-M1020 PolarHBondContact O-N 3.02Å; E1018-M1020 VanDerWaalsContact C-N 3.27Å; E1018-M1020 PolarHBondContact O-N 2.96Å |
| 1021 | Q | 80.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -117.2 | -15.2 | -170.1 | 84 | 178.7 | -10.2 | 0 | 0 | 114.9 | I383 Y674 I1017 E1018 R1202 | I383-Q1021 HydrophobicContact CG2-CB 3.97Å; Y674-Q1021 PolarHBondContact O-NE2 3.19Å; I1017-Q1021 PolarHBondContact O-N 3.25Å; E1018-Q1021 PolarHBondContact O-N 2.76Å; E1018-Q1021 VanDerWaalsContact O-N 3.17Å; E1018-Q1021 PolarHBondContact OE2-NE2 2.7Å; Q1021-R1202 WeakPolarHBondContact O-CD 3.41Å; Q1021-R1202 PolarHBondContact O-NE 2.74Å; Q1021-R1202 PolarHBondContact O-NH1 2.65Å |
| 1022 | C | 71.3 | Confident | 79.2 | Confident | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -130.2 | -175.7 | 171.5 | 83.9 | 0 | 0 | 0 | 0 | 112.3 | E1018 V1024 H1200 | E1018-C1022 PolarHBondContact O-N 3.45Å; E1018-C1022 PolarHBondContact O-SG 3.33Å; E1018-C1022 VanDerWaalsContact O-SG 3.34Å; E1018-C1022 WeakPolarHBondContact OE1-CB 3.26Å; E1018-C1022 PolarHBondContact OE1-SG 3.14Å; C1022-V1024 PolarHBondContact O-N 3.11Å; C1022-H1200 WeakPolarHBondContact CB-O 3.46Å |
| 1023 | N | 68 | Low | 77.1 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -59.6 | 117.9 | 171.4 | -177.3 | -16.2 | 0 | 0 | 0 | 111 | A1025 C1026 A1027 T1114 E1199 H1200 | N1023-A1025 VanDerWaalsContact C-N 3.29Å; N1023-A1025 PolarHBondContact O-N 3.11Å; N1023-A1025 PolarHBondContact OD1-N 3.35Å; N1023-C1026 HydrophobicContact CB-CB 4.41Å; N1023-C1026 WeakPolarHBondContact O-CB 3.38Å; N1023-C1026 PolarHBondContact O-N 2.93Å; N1023-A1027 PolarHBondContact O-N 2.91Å; N1023-A1027 VanDerWaalsContact O-N 3.12Å; N1023-T1114 WeakPolarHBondContact CA-OG1 3.46Å; N1023-T1114 HydrophobicContact CB-CG2 4.35Å; N1023-T1114 WeakPolarHBondContact CB-OG1 3.18Å; N1023-T1114 WeakPolarHBondContact OD1-CG2 3.45Å; N1023-E1199 PolarHBondContact ND2-O 3.31Å; N1023-H1200 PolarHBondContact N-O 3.23Å | ||
| 1024 | V | 72.2 | Confident | 74.3 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -49.4 | -44.3 | -179.4 | 176.9 | 0 | 0 | 0 | 0 | 113.1 | R1019 C1022 C1026 A1027 D1028 | R1019-V1024 HydrophobicContact CG-CG1 4.3Å; C1022-V1024 PolarHBondContact O-N 3.11Å; V1024-C1026 PolarHBondContact O-N 3.29Å; V1024-A1027 PolarHBondContact O-N 2.88Å; V1024-D1028 VanDerWaalsContact O-CG 3.24Å; V1024-D1028 PolarHBondContact O-N 3.45Å |
| 1025 | A | 71.3 | Confident | 71.4 | Confident | 54 Ų | 54 | 40.3 Ų | 40.3 | 45% | 0.446 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.8 | -31.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1023 E1029 | N1023-A1025 VanDerWaalsContact C-N 3.29Å; N1023-A1025 PolarHBondContact O-N 3.11Å; N1023-A1025 PolarHBondContact OD1-N 3.35Å; A1025-E1029 PolarHBondContact O-N 2.98Å |
| 1026 | C | 69.4 | Low | 68.6 | Low | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.3 | -36.7 | -178.2 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | N1023 V1024 D1028 E1029 E1030 H1200 Y1298 | N1023-C1026 HydrophobicContact CB-CB 4.41Å; N1023-C1026 WeakPolarHBondContact O-CB 3.38Å; N1023-C1026 PolarHBondContact O-N 2.93Å; V1024-C1026 PolarHBondContact O-N 3.29Å; C1026-D1028 VanDerWaalsContact C-N 3.29Å; C1026-D1028 PolarHBondContact O-N 3.06Å; C1026-E1029 PolarHBondContact O-N 2.9Å; C1026-E1030 PolarHBondContact O-N 3.04Å; C1026-H1200 WeakPolarHBondContact CB-ND1 3.37Å; C1026-H1200 PolarHBondContact SG-ND1 3.48Å; C1026-Y1298 HydrophobicContact CB-CD1 3.8Å; C1026-Y1298 HydrophobicContact CB-CE1 4.05Å; C1026-Y1298 HydrophobicContact CB-CG 4.13Å; C1026-Y1298 WeakPolarHBondContact O-CD1 3.3Å; C1026-Y1298 WeakPolarHBondContact O-CE1 3.35Å |
| 1027 | A | 68.7 | Low | 65.4 | Low | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1015 E1018 R1019 N1023 V1024 | Y1015-A1027 WeakPolarHBondContact CD2-O 3.17Å; E1018-A1027 HydrophobicContact CB-CB 4.3Å; E1018-A1027 HydrophobicContact CG-CB 4Å; R1019-A1027 HydrophobicContact CB-CB 4.44Å; R1019-A1027 HydrophobicContact CG-CB 3.57Å; N1023-A1027 PolarHBondContact O-N 2.91Å; N1023-A1027 VanDerWaalsContact O-N 3.12Å; V1024-A1027 PolarHBondContact O-N 2.88Å |
| 1028 | D | 78.1 | Confident | 62.4 | Low | 59 Ų | 59 | 40 Ų | 40 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 173 | -66.7 | -29.1 | 0 | 0 | 0 | 111.2 | Y1015 R1019 V1024 C1026 E1030 S1031 | Y1015-D1028 VanDerWaalsContact CE2-OD1 3.29Å; Y1015-D1028 WeakPolarHBondContact CE2-OD1 3.49Å; Y1015-D1028 PolarHBondContact OH-OD1 2.91Å; R1019-D1028 WeakPolarHBondContact CD-OD1 3.32Å; R1019-D1028 IonicContact CZ-OD1 3.85Å; R1019-D1028 IonicContact NE-OD1 2.86Å; R1019-D1028 IonicContact NH1-OD1 3.1Å; R1019-D1028 PolarHBondContact NH1-OD1 2.86Å; R1019-D1028 IonicContact NH1-OD2 2.96Å; V1024-D1028 VanDerWaalsContact O-CG 3.24Å; V1024-D1028 PolarHBondContact O-N 3.45Å; C1026-D1028 VanDerWaalsContact C-N 3.29Å; C1026-D1028 PolarHBondContact O-N 3.06Å; D1028-E1030 PolarHBondContact O-N 3.46Å; D1028-S1031 PolarHBondContact O-OG 2.92Å |
| 1029 | E | 73.7 | Confident | 59.9 | Low | 77 Ų | 77 | 40.5 Ų | 40.5 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -33.9 | 175.7 | -79 | -172.6 | -160.4 | 0 | 0 | 114.1 | A1025 C1026 S1031 S1032 R1297 Y1298 | A1025-E1029 PolarHBondContact O-N 2.98Å; C1026-E1029 PolarHBondContact O-N 2.9Å; E1029-S1031 PolarHBondContact O-N 3.27Å; E1029-S1032 PolarHBondContact O-OG 2.94Å; E1029-R1297 WeakPolarHBondContact OE2-CA 3.47Å; E1029-R1297 WeakPolarHBondContact OE2-CG 3.47Å; E1029-Y1298 HydrophobicContact CB-CD1 4.39Å; E1029-Y1298 PolarHBondContact OE2-N 2.91Å |
| 1030 | E | 68.8 | Low | 57.2 | Low | 27 Ų | 27 | 38.4 Ų | 38.4 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -27.6 | -174.5 | -144.4 | 177.5 | 114.5 | 0 | 0 | 113.9 | R673 N677 C1026 D1028 S1032 K1204 Y1298 P1299 | R673-E1030 WeakPolarHBondContact CD-OE1 3.19Å; N677-E1030 PolarHBondContact ND2-OE1 2.96Å; N677-E1030 PolarHBondContact ND2-OE2 3Å; C1026-E1030 PolarHBondContact O-N 3.04Å; D1028-E1030 PolarHBondContact O-N 3.46Å; E1030-S1032 PolarHBondContact O-N 3.15Å; E1030-K1204 IonicContact OE2-NZ 2.66Å; E1030-K1204 PolarHBondContact OE2-NZ 2.82Å; E1030-Y1298 HydrophobicContact CB-CD1 4.33Å; E1030-Y1298 HydrophobicContact CB-CE1 3.77Å; E1030-Y1298 HydrophobicContact CG-CD1 4.39Å; E1030-Y1298 HydrophobicContact CG-CE1 3.58Å; E1030-Y1298 VanDerWaalsContact OE2-CE1 3.27Å; E1030-Y1298 WeakPolarHBondContact OE2-CE1 3.46Å; E1030-Y1298 PolarHBondContact OE2-OH 2.91Å; E1030-P1299 HydrophobicContact CG-CG 3.88Å |
| 1031 | S | 68.7 | Low | 55.1 | Low | 89 Ų | 89 | 38.9 Ų | 38.9 | 62% | 0.622 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 5.5 | -172 | 63.8 | 0 | 0 | 0 | 0 | 116.8 | D1028 E1029 | D1028-S1031 PolarHBondContact O-OG 2.92Å; E1029-S1031 PolarHBondContact O-N 3.27Å |
| 1032 | S | 60 | Low | 53 | Low | 50 Ų | 50 | 41 Ų | 41 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -150.2 | 30.6 | -148.6 | 67 | 0 | 0 | 0 | 0 | 119.3 | E1029 E1030 R1297 | E1029-S1032 PolarHBondContact O-OG 2.94Å; E1030-S1032 PolarHBondContact O-N 3.15Å; S1032-R1297 PolarHBondContact O-NH2 3.11Å; S1032-R1297 PolarHBondContact OG-NH2 3.27Å |
| 1033 | L | 50.4 | Low | 51.4 | Low | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | trans | -134.5 | 144 | -169.7 | -53.8 | -162.6 | 0 | 0 | 0 | 117.7 | P1299 F1300 | L1033-P1299 HydrophobicContact CD1-CG 3.76Å; L1033-F1300 HydrophobicContact CB-CE1 4.04Å; L1033-F1300 HydrophobicContact CB-CE2 3.96Å; L1033-F1300 HydrophobicContact CB-CZ 3.55Å; L1033-F1300 HydrophobicContact CD1-CB 4.32Å; L1033-F1300 HydrophobicContact CD1-CD1 3.83Å; L1033-F1300 HydrophobicContact CD1-CD2 3.51Å; L1033-F1300 HydrophobicContact CD1-CE1 3.88Å; L1033-F1300 HydrophobicContact CD1-CE2 3.59Å; L1033-F1300 HydrophobicContact CD1-CG 3.6Å; L1033-F1300 HydrophobicContact CD1-CZ 3.73Å; L1033-F1300 HydrophobicContact CD2-CD2 3.77Å; L1033-F1300 HydrophobicContact CD2-CE2 3.31Å; L1033-F1300 HydrophobicContact CD2-CZ 3.88Å; L1033-F1300 HydrophobicContact CG-CD2 4.17Å; L1033-F1300 HydrophobicContact CG-CE1 4.46Å; L1033-F1300 HydrophobicContact CG-CE2 3.79Å; L1033-F1300 HydrophobicContact CG-CZ 3.91Å | ||
| 1034 | H | 37 | Very low | 50.1 | Low | 60 Ų | 60 | 47 Ų | 47 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | trans | -145.7 | 123.7 | 178.4 | -71.8 | 2.8 | 0 | 0 | 0 | 116.5 | F696 N924 R1007 E1290 | F696-H1034 HydrophobicContact CD1-CB 4.02Å; F696-H1034 AromaticContact CD1-CE1 3.69Å; F696-H1034 AromaticContact CD1-CG 3.64Å; F696-H1034 AromaticContact CD1-ND1 3.18Å; F696-H1034 WeakPolarHBondContact CD1-ND1 3.26Å; F696-H1034 AromaticContact CD2-CE1 3.75Å; F696-H1034 HydrophobicContact CE1-CB 3.53Å; F696-H1034 AromaticContact CE1-CD2 3.48Å; F696-H1034 VanDerWaalsContact CE1-CD2 3.48Å; F696-H1034 WeakPolarHBondContact CE1-CD2 3.41Å; F696-H1034 AromaticContact CE1-CE1 3.43Å; F696-H1034 VanDerWaalsContact CE1-CE1 3.43Å; F696-H1034 WeakPolarHBondContact CE1-CE1 3.42Å; F696-H1034 AromaticContact CE1-CG 3.09Å; F696-H1034 AromaticContact CE1-ND1 3.08Å; F696-H1034 WeakPolarHBondContact CE1-ND1 3.47Å; F696-H1034 AromaticContact CE1-NE2 3.67Å; F696-H1034 AromaticContact CE2-CE1 3.38Å; F696-H1034 WeakPolarHBondContact CE2-CE1 3.5Å; F696-H1034 AromaticContact CE2-ND1 3.91Å; F696-H1034 AromaticContact CE2-NE2 3.6Å; F696-H1034 AromaticContact CG-CE1 3.9Å; F696-H1034 AromaticContact CG-ND1 3.76Å; F696-H1034 HydrophobicContact CZ-CB 4.35Å; F696-H1034 AromaticContact CZ-CD2 3.39Å; F696-H1034 WeakPolarHBondContact CZ-CD2 3.5Å; F696-H1034 AromaticContact CZ-CE1 3.23Å; F696-H1034 WeakPolarHBondContact CZ-CE1 3.5Å; F696-H1034 AromaticContact CZ-CG 3.53Å; F696-H1034 AromaticContact CZ-ND1 3.44Å; F696-H1034 WeakPolarHBondContact CZ-ND1 3.27Å; F696-H1034 AromaticContact CZ-NE2 3.19Å; F696-H1034 WeakPolarHBondContact CZ-NE2 3.38Å; N924-H1034 PolarHBondContact ND2-NE2 3Å; R1007-H1034 PolarHBondContact NH2-CE1 2.81Å; R1007-H1034 VanDerWaalsContact NH2-CE1 3.34Å; H1034-E1290 PolarHBondContact N-OE1 2.84Å | ||
| 1035 | T | 32.6 | Very low | 49.3 | Very low | 45 Ų | 45 | 49 Ų | 49 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | trans | -157.6 | 172.9 | 174.9 | 41.4 | 0 | 0 | 0 | 0 | 117.2 | P695 E1290 F1300 | P695-T1035 WeakPolarHBondContact CB-O 3.33Å; T1035-E1290 HydrophobicContact CG2-CB 4.42Å; T1035-E1290 HydrophobicContact CG2-CG 4.33Å; T1035-F1300 HydrophobicContact CG2-CE1 4Å; T1035-F1300 HydrophobicContact CG2-CZ 4.43Å | ||
| 1036 | S | 30.4 | Very low | 49.3 | Very low | 39 Ų | 39 | 53.3 Ų | 53.3 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | trans | -164 | 147 | -178.2 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | Y1337 S1339 | S1036-Y1337 WeakPolarHBondContact CB-OH 3.47Å; S1036-S1339 VanDerWaalsContact CB-CB 3.49Å; S1036-S1339 WeakPolarHBondContact OG-CB 3.31Å | ||
| 1037 | Y | 27.4 | Very low | 50.2 | Low | 71 Ų | 71 | 53.9 Ų | 53.9 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | trans | -166.6 | 179.7 | 163.8 | -101.3 | -72.2 | 0 | 0 | 0 | 118.4 | E1254 N1255 S1339 | Y1037-E1254 WeakPolarHBondContact CA-OE2 3.44Å; Y1037-E1254 WeakPolarHBondContact CB-OE2 3.49Å; Y1037-E1254 HydrophobicContact CD1-CB 2.72Å; Y1037-E1254 HydrophobicContact CD1-CG 2.3Å; Y1037-E1254 WeakPolarHBondContact CD1-OE2 3.27Å; Y1037-E1254 HydrophobicContact CD2-CB 3.84Å; Y1037-E1254 HydrophobicContact CD2-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CD2-OE1 3.33Å; Y1037-E1254 WeakPolarHBondContact CD2-OE2 3.28Å; Y1037-E1254 HydrophobicContact CE1-CB 2.7Å; Y1037-E1254 HydrophobicContact CE1-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CE1-OE1 3.29Å; Y1037-E1254 WeakPolarHBondContact CE1-OE2 3.5Å; Y1037-E1254 HydrophobicContact CE2-CB 3.81Å; Y1037-E1254 HydrophobicContact CE2-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CE2-OE1 3.32Å; Y1037-E1254 HydrophobicContact CG-CB 3.34Å; Y1037-E1254 HydrophobicContact CG-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact OH-CG 3.36Å; Y1037-E1254 PolarHBondContact OH-OE1 3.01Å; Y1037-N1255 WeakPolarHBondContact CB-O 3.22Å; Y1037-S1339 WeakPolarHBondContact CA-OG 3.42Å; Y1037-S1339 PolarHBondContact O-N 2.77Å | ||
| 1038 | K | 28.2 | Very low | 51.4 | Low | 28 Ų | 28 | 57.4 Ų | 57.4 | 12% | 0.122 | 31% | 0.309 | C | S | . | . | trans | -156.7 | 161.4 | -170.1 | -85.8 | -100.4 | 168.3 | 66.8 | 0 | 118.8 | L1332 C1338 E1340 P1342 | K1038-L1332 HydrophobicContact CD-CD2 4.27Å; K1038-C1338 WeakPolarHBondContact CE-SG 3.19Å; K1038-C1338 VanDerWaalsContact NZ-C 3.25Å; K1038-C1338 PolarHBondContact NZ-O 3.43Å; K1038-E1340 WeakPolarHBondContact CD-O 3.23Å; K1038-E1340 WeakPolarHBondContact CE-O 3.44Å; K1038-E1340 VanDerWaalsContact CG-O 3.27Å; K1038-E1340 WeakPolarHBondContact CG-O 3.25Å; K1038-E1340 PolarHBondContact NZ-O 2.81Å; K1038-P1342 HydrophobicContact CD-CB 4.35Å; K1038-P1342 HydrophobicContact CD-CG 4.11Å | ||
| 1039 | S | 30.5 | Very low | 52.1 | Low | 20 Ų | 20 | 54.6 Ų | 54.6 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | trans | -171.1 | -172.2 | 170.2 | 154.3 | 0 | 0 | 0 | 0 | 116.3 | F1231 P1350 | S1039-F1231 WeakPolarHBondContact OG-CZ 3.47Å; S1039-P1350 WeakPolarHBondContact OG-CB 3.22Å | ||
| 1040 | S | 30.2 | Very low | 53.2 | Low | 54 Ų | 54 | 50.9 Ų | 50.9 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | trans | -156.2 | 166.9 | -162.8 | -50.9 | 0 | 0 | 0 | 0 | 118.5 | C1346 L1353 | S1040-C1346 VanDerWaalsContact CB-SG 3.52Å; S1040-C1346 PolarHBondContact OG-SG 2.73Å; S1040-L1353 WeakPolarHBondContact O-CD2 3.31Å | ||
| 1041 | P | 38.7 | Very low | 54.5 | Low | 47 Ų | 47 | 49.7 Ų | 49.7 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | trans | -124.7 | -179.7 | -146.9 | 49.1 | -43.1 | 0 | 0 | 0 | 124.9 | V1348 L1352 L1353 | P1041-V1348 HydrophobicContact CB-CG2 3.17Å; P1041-V1348 HydrophobicContact CG-CG2 3.54Å; P1041-L1352 HydrophobicContact CB-CD2 4.41Å; P1041-L1353 HydrophobicContact CB-CD2 4.39Å | ||
| 1042 | I | 36.9 | Very low | 55.8 | Low | 54 Ų | 54 | 45.5 Ų | 45.5 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | trans | -159.2 | 149.8 | 175.8 | -18.8 | 78 | 0 | 0 | 0 | 108.7 | L1353 R1356 | I1042-L1353 HydrophobicContact CD1-CD2 3.69Å; I1042-R1356 HydrophobicContact CB-CG 4.28Å; I1042-R1356 HydrophobicContact CD1-CG 4.5Å | ||
| 1043 | L | 38.1 | Very low | 57.5 | Low | 66 Ų | 66 | 43.6 Ų | 43.6 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | cis | 87.9 | 130.4 | 24 | 174.1 | 175.4 | 0 | 0 | 0 | 115.3 | ||||
| 1044 | D | 41.3 | Very low | 59.5 | Low | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | cis | -164.2 | 167.3 | -11.1 | 173.6 | 47.7 | 0 | 0 | 0 | 112 | Y1359 | D1044-Y1359 WeakPolarHBondContact O-CE1 3.09Å; D1044-Y1359 PolarHBondContact O-OH 2.96Å | ||
| 1045 | R | 54.5 | Low | 62.2 | Low | 70 Ų | 70 | 40 Ų | 40 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | trans | -100.2 | 158.6 | -134.8 | -33.6 | -153.1 | -172.2 | 168.1 | -0.4 | 123.4 | Y1068 G1071 Y1359 | R1045-Y1068 VanDerWaalsContact CD-O 3.23Å; R1045-Y1068 WeakPolarHBondContact CD-O 3.3Å; R1045-Y1068 VanDerWaalsContact CZ-C 3.45Å; R1045-Y1068 PolarHBondContact NE-O 2.84Å; R1045-Y1068 PolarHBondContact NH1-O 3.39Å; R1045-Y1068 VanDerWaalsContact NH2-CE1 3.34Å; R1045-Y1068 PolarHBondContact NH2-O 2.95Å; R1045-G1071 WeakPolarHBondContact CA-O 3.42Å; R1045-G1071 VanDerWaalsContact CB-O 3.32Å; R1045-G1071 WeakPolarHBondContact CB-O 3.35Å; R1045-Y1359 VanDerWaalsContact CA-OH 3.25Å; R1045-Y1359 WeakPolarHBondContact CA-OH 3.5Å | ||
| 1046 | N | 72.4 | Confident | 64.9 | Low | 146 Ų | 146 | 37.9 Ų | 37.9 | 78% | 0.781 | 20% | 0.197 | S | C | * | . | trans | 179.7 | 8.6 | 155.3 | -114.4 | -7.5 | 0 | 0 | 0 | 119.9 | G1071 Y1359 | N1046-G1071 PolarHBondContact N-O 2.82Å; N1046-Y1359 PolarHBondContact N-OH 2.85Å | ||
| 1047 | I | 87.2 | Confident | 67.9 | Low | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 146.3 | -165.9 | -68.7 | 159.5 | 0 | 0 | 0 | 114.1 | G1071 F1072 E1073 R1093 Y1359 C1362 M1363 | I1047-G1071 PolarHBondContact N-O 2.75Å; I1047-F1072 HydrophobicContact CB-CD1 3.79Å; I1047-F1072 HydrophobicContact CB-CE1 4Å; I1047-F1072 HydrophobicContact CG2-CD1 3.83Å; I1047-F1072 HydrophobicContact CG2-CE1 3.78Å; I1047-F1072 CarbonylContact O-C 3.49Å; I1047-F1072 WeakPolarHBondContact O-CA 3.27Å; I1047-F1072 WeakPolarHBondContact O-CD1 3.33Å; I1047-E1073 PolarHBondContact O-N 2.85Å; I1047-R1093 HydrophobicContact CG2-CB 3.76Å; I1047-R1093 HydrophobicContact CG2-CG 3.98Å; I1047-Y1359 HydrophobicContact CB-CD2 4.13Å; I1047-Y1359 HydrophobicContact CB-CE2 3.99Å; I1047-Y1359 HydrophobicContact CD1-CD2 3.59Å; I1047-Y1359 HydrophobicContact CD1-CE2 3.43Å; I1047-Y1359 VanDerWaalsContact CD1-CE2 3.43Å; I1047-Y1359 HydrophobicContact CD1-CG 4.49Å; I1047-Y1359 HydrophobicContact CG1-CD2 4.21Å; I1047-Y1359 HydrophobicContact CG1-CE2 3.78Å; I1047-C1362 HydrophobicContact CD1-CB 3.37Å; I1047-C1362 HydrophobicContact CG1-CB 4.44Å; I1047-C1362 HydrophobicContact CG2-CB 4.14Å; I1047-M1363 HydrophobicContact CD1-CG 3.6Å; I1047-M1363 HydrophobicContact CD1-SD 3.45Å; I1047-M1363 WeakPolarHBondContact CD1-SD 3.2Å; I1047-M1363 HydrophobicContact CG1-SD 3.97Å |
| 1048 | K | 93.7 | Very high | 71 | Confident | 75 Ų | 75 | 33.2 Ų | 33.2 | 33% | 0.326 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.1 | 178.9 | -60.8 | -173.8 | -170.1 | -69 | 0 | 114.4 | E1073 F1092 R1093 | K1048-E1073 WeakPolarHBondContact CA-O 3.29Å; K1048-E1073 HydrophobicContact CG-CB 4.32Å; K1048-E1073 IonicContact NZ-OE1 3.58Å; K1048-E1073 PolarHBondContact NZ-OE1 2.93Å; K1048-E1073 IonicContact NZ-OE2 3.37Å; K1048-E1073 PolarHBondContact NZ-OE2 2.87Å; K1048-F1092 HydrophobicContact CB-CD1 4.04Å; K1048-R1093 PolarHBondContact O-N 2.98Å |
| 1049 | V | 94.4 | Very high | 74 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.9 | 174.1 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | L1067 F1072 E1073 V1074 W1075 G1094 V1096 F1154 | V1049-L1067 HydrophobicContact CG1-CD1 4.06Å; V1049-F1072 HydrophobicContact CB-CB 4.26Å; V1049-F1072 HydrophobicContact CB-CD1 4.21Å; V1049-F1072 HydrophobicContact CB-CG 4.23Å; V1049-F1072 HydrophobicContact CG2-CB 4.21Å; V1049-F1072 HydrophobicContact CG2-CD1 3.26Å; V1049-F1072 HydrophobicContact CG2-CD2 4.25Å; V1049-F1072 HydrophobicContact CG2-CE1 3.46Å; V1049-F1072 VanDerWaalsContact CG2-CE1 3.46Å; V1049-F1072 HydrophobicContact CG2-CE2 4.41Å; V1049-F1072 HydrophobicContact CG2-CG 3.67Å; V1049-F1072 HydrophobicContact CG2-CZ 4.03Å; V1049-E1073 PolarHBondContact N-O 3.43Å; V1049-V1074 CarbonylContact O-C 3.48Å; V1049-V1074 WeakPolarHBondContact O-CA 3.47Å; V1049-W1075 PolarHBondContact O-N 2.72Å; V1049-G1094 WeakPolarHBondContact CA-O 3.47Å; V1049-V1096 HydrophobicContact CG1-CG2 3.91Å; V1049-F1154 HydrophobicContact CG2-CE1 4.08Å; V1049-F1154 HydrophobicContact CG2-CZ 3.84Å |
| 1050 | A | 95.9 | Very high | 77 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1052 V1077 F1092 G1094 I1095 V1096 | A1050-I1052 HydrophobicContact CB-CD1 3.75Å; A1050-V1077 HydrophobicContact CB-CG2 3.96Å; A1050-F1092 HydrophobicContact CB-CD1 3.77Å; A1050-F1092 HydrophobicContact CB-CD2 4.25Å; A1050-F1092 HydrophobicContact CB-CE1 3.8Å; A1050-F1092 HydrophobicContact CB-CE2 4.29Å; A1050-F1092 HydrophobicContact CB-CG 4Å; A1050-F1092 HydrophobicContact CB-CZ 4.07Å; A1050-G1094 PolarHBondContact N-O 2.89Å; A1050-I1095 HydrophobicContact CB-CG1 4.45Å; A1050-I1095 CarbonylContact O-C 3.59Å; A1050-I1095 WeakPolarHBondContact O-CA 3.46Å; A1050-V1096 PolarHBondContact O-N 2.74Å |
| 1051 | I | 96.6 | Very high | 80.1 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.2 | 163.9 | -62.8 | 174.6 | 0 | 0 | 0 | 106.7 | D1060 M1063 A1064 L1067 V1074 W1075 V1077 V1096 P1098 | I1051-D1060 HydrophobicContact CG2-CB 4.22Å; I1051-M1063 HydrophobicContact CD1-CB 4.02Å; I1051-M1063 HydrophobicContact CD1-CG 3.8Å; I1051-M1063 HydrophobicContact CG1-CG 4.21Å; I1051-A1064 HydrophobicContact CD1-CB 3.74Å; I1051-L1067 HydrophobicContact CD1-CD1 4.15Å; I1051-L1067 HydrophobicContact CG1-CD1 4.08Å; I1051-V1074 HydrophobicContact CD1-CG1 3.55Å; I1051-V1074 HydrophobicContact CG1-CG1 3.78Å; I1051-W1075 PolarHBondContact N-O 3.25Å; I1051-V1077 PolarHBondContact O-N 2.87Å; I1051-V1077 VanDerWaalsContact O-N 3.14Å; I1051-V1077 VanDerWaalsContact O-O 3.11Å; I1051-V1096 WeakPolarHBondContact CA-O 3.37Å; I1051-V1096 HydrophobicContact CG1-CB 4.44Å; I1051-P1098 HydrophobicContact CG2-CB 4.34Å; I1051-P1098 HydrophobicContact CG2-CG 3.82Å |
| 1052 | I | 96 | Very high | 82.7 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.8 | 178.5 | -49.4 | -55.9 | 0 | 0 | 0 | 107.4 | A1050 V1077 M1079 F1089 I1095 V1096 F1097 P1098 W1130 | A1050-I1052 HydrophobicContact CB-CD1 3.75Å; I1052-V1077 WeakPolarHBondContact CA-O 3.29Å; I1052-V1077 HydrophobicContact CD1-CB 3.74Å; I1052-V1077 HydrophobicContact CD1-CG1 3.8Å; I1052-V1077 HydrophobicContact CD1-CG2 4.14Å; I1052-M1079 HydrophobicContact CG2-SD 3.78Å; I1052-F1089 HydrophobicContact CD1-CD1 4.34Å; I1052-F1089 HydrophobicContact CD1-CE1 3.61Å; I1052-F1089 HydrophobicContact CD1-CZ 4.3Å; I1052-F1089 HydrophobicContact CG1-CE1 4.22Å; I1052-F1089 HydrophobicContact CG1-CZ 4.47Å; I1052-I1095 HydrophobicContact CG1-CD1 4.45Å; I1052-I1095 HydrophobicContact CG1-CG1 4.31Å; I1052-I1095 HydrophobicContact CG1-CG2 3.8Å; I1052-V1096 PolarHBondContact N-O 2.75Å; I1052-F1097 HydrophobicContact CB-CD1 3.92Å; I1052-F1097 HydrophobicContact CB-CE1 3.83Å; I1052-F1097 HydrophobicContact CG1-CE1 4.28Å; I1052-F1097 HydrophobicContact CG2-CD1 4.34Å; I1052-F1097 HydrophobicContact CG2-CE1 3.99Å; I1052-P1098 WeakPolarHBondContact O-CD 3.2Å; I1052-W1130 WeakPolarHBondContact O-CZ2 3.35Å |
| 1053 | R | 94.8 | Very high | 85.5 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 3% | 0.034 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 152.5 | -175.5 | 63.9 | 169.1 | 178.7 | 93.4 | 2.7 | 113.1 | E586 D1076 V1077 T1078 M1079 P1098 | E586-R1053 IonicContact OE1-CZ 2.88Å; E586-R1053 IonicContact OE1-NH1 3.29Å; E586-R1053 PolarHBondContact OE1-NH1 3.49Å; E586-R1053 IonicContact OE1-NH2 2.72Å; E586-R1053 PolarHBondContact OE1-NH2 3.4Å; E586-R1053 IonicContact OE2-CZ 3.77Å; E586-R1053 IonicContact OE2-NH1 3.41Å; E586-R1053 PolarHBondContact OE2-NH1 3.28Å; E586-R1053 IonicContact OE2-NH2 2.7Å; R1053-D1076 IonicContact CZ-OD1 2.65Å; R1053-D1076 IonicContact CZ-OD2 2.69Å; R1053-D1076 IonicContact NE-OD1 2.72Å; R1053-D1076 PolarHBondContact NE-OD1 2.64Å; R1053-D1076 IonicContact NE-OD2 3.86Å; R1053-D1076 IonicContact NH2-OD1 2.67Å; R1053-D1076 PolarHBondContact NH2-OD1 3.17Å; R1053-D1076 IonicContact NH2-OD2 2.83Å; R1053-D1076 PolarHBondContact NH2-OD2 2.88Å; R1053-V1077 WeakPolarHBondContact CG-O 3.4Å; R1053-V1077 PolarHBondContact N-O 2.79Å; R1053-T1078 HydrophobicContact CG-CG2 4.29Å; R1053-T1078 VanDerWaalsContact CZ-CG2 3.4Å; R1053-T1078 CarbonylContact O-C 3.56Å; R1053-T1078 VanDerWaalsContact O-CA 3.31Å; R1053-T1078 WeakPolarHBondContact O-CA 3.35Å; R1053-M1079 PolarHBondContact O-N 3.18Å; R1053-P1098 HydrophobicContact CB-CG 4.22Å |
| 1054 | E | 93.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | trans | -121.7 | 166.4 | 178.4 | -174.1 | 54.3 | -60.6 | 0 | 0 | 111.2 | R501 R587 G1056 T1057 M1079 Y1103 W1130 | R501-E1054 PolarHBondContact NH1-O 3.33Å; R587-E1054 IonicContact CZ-OE1 2.72Å; R587-E1054 IonicContact CZ-OE2 3.8Å; R587-E1054 VanDerWaalsContact CZ-OE2 3.26Å; R587-E1054 IonicContact NE-OE1 2.64Å; R587-E1054 IonicContact NH1-OE1 3.75Å; R587-E1054 PolarHBondContact NH1-OE1 3.25Å; R587-E1054 IonicContact NH1-OE2 2.63Å; R587-E1054 PolarHBondContact NH1-OE2 3.32Å; R587-E1054 IonicContact NH2-OE1 2.75Å; R587-E1054 PolarHBondContact NH2-OE1 3.34Å; R587-E1054 VanDerWaalsContact NH2-OE1 3.1Å; R587-E1054 IonicContact NH2-OE2 3.12Å; R587-E1054 PolarHBondContact NH2-OE2 2.91Å; E1054-G1056 PolarHBondContact O-N 2.85Å; E1054-T1057 HydrophobicContact CB-CG2 4.2Å; E1054-T1057 PolarHBondContact N-OG1 3.22Å; E1054-T1057 WeakPolarHBondContact O-CB 3.36Å; E1054-T1057 PolarHBondContact O-N 2.75Å; E1054-T1057 VanDerWaalsContact O-N 3.13Å; E1054-T1057 PolarHBondContact O-OG1 3.4Å; E1054-M1079 HydrophobicContact CB-CG 3.93Å; E1054-M1079 HydrophobicContact CG-CG 4.17Å; E1054-M1079 WeakPolarHBondContact OE2-CB 2.99Å; E1054-M1079 WeakPolarHBondContact OE2-CG 3.41Å; E1054-Y1103 HydrophobicContact CG-CE2 3.8Å; E1054-Y1103 PolarHBondContact OE2-OH 3.27Å; E1054-Y1103 VanDerWaalsContact OE2-OH 3.12Å; E1054-W1130 HydrophobicContact CB-CD2 3.76Å; E1054-W1130 HydrophobicContact CB-CE3 4.41Å; E1054-W1130 HydrophobicContact CB-CG 3.84Å; E1054-W1130 HydrophobicContact CB-CZ2 4.25Å; E1054-W1130 HydrophobicContact CG-CB 4.22Å; E1054-W1130 HydrophobicContact CG-CD2 4.33Å; E1054-W1130 HydrophobicContact CG-CG 3.88Å | ||
| 1055 | E | 92.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134 | 169.1 | 68.6 | -171.6 | 144.7 | 0 | 0 | 111.2 | S106 F110 E494 K498 R587 T1057 S1102 Y1103 | S106-E1055 PolarHBondContact OG-OE1 3.5Å; S106-E1055 PolarHBondContact OG-OE2 3.26Å; F110-E1055 WeakPolarHBondContact CD2-OE1 3.34Å; E494-E1055 VanDerWaalsContact OE1-CB 3.3Å; E494-E1055 WeakPolarHBondContact OE1-CB 3.27Å; E494-E1055 WeakPolarHBondContact OE1-CG 3.32Å; K498-E1055 HydrophobicContact CD-CB 3.99Å; K498-E1055 WeakPolarHBondContact CD-OE2 3.27Å; K498-E1055 HydrophobicContact CG-CB 4.24Å; K498-E1055 IonicContact NZ-OE2 2.57Å; K498-E1055 PolarHBondContact NZ-OE2 2.95Å; R587-E1055 VanDerWaalsContact CD-CD 3.47Å; R587-E1055 WeakPolarHBondContact CD-OE1 3.38Å; R587-E1055 IonicContact CZ-OE1 3.85Å; R587-E1055 IonicContact NE-OE1 2.77Å; R587-E1055 IonicContact NH1-OE1 2.77Å; R587-E1055 PolarHBondContact NH1-OE1 3.39Å; E1055-T1057 VanDerWaalsContact C-N 3.32Å; E1055-T1057 PolarHBondContact O-N 2.98Å; E1055-S1102 VanDerWaalsContact O-CA 3.25Å; E1055-S1102 WeakPolarHBondContact O-CA 3.48Å; E1055-Y1103 HydrophobicContact CG-CD1 4.19Å; E1055-Y1103 HydrophobicContact CG-CE1 4Å; E1055-Y1103 PolarHBondContact O-N 2.91Å; E1055-Y1103 WeakPolarHBondContact OE1-CE1 3.23Å |
| 1056 | G | 89.9 | Confident | 92.4 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -8.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | E1054 F1101 | E1054-G1056 PolarHBondContact O-N 2.85Å; G1056-F1101 CarbonylContact C-O 3.55Å; G1056-F1101 WeakPolarHBondContact CA-O 3.12Å; G1056-F1101 CarbonylContact O-C 3.5Å; G1056-F1101 VanDerWaalsContact O-C 3.31Å; G1056-F1101 PolarHBondContact O-N 3.1Å |
| 1057 | T | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 145.7 | 166.6 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | Q497 R501 E1054 E1055 W1130 | Q497-T1057 PolarHBondContact NE2-O 3.22Å; R501-T1057 VanDerWaalsContact CZ-O 3.25Å; R501-T1057 PolarHBondContact NH1-OG1 2.9Å; R501-T1057 PolarHBondContact NH2-O 3.44Å; R501-T1057 PolarHBondContact NH2-OG1 3.21Å; E1054-T1057 HydrophobicContact CB-CG2 4.2Å; E1054-T1057 PolarHBondContact N-OG1 3.22Å; E1054-T1057 WeakPolarHBondContact O-CB 3.36Å; E1054-T1057 PolarHBondContact O-N 2.75Å; E1054-T1057 VanDerWaalsContact O-N 3.13Å; E1054-T1057 PolarHBondContact O-OG1 3.4Å; E1055-T1057 VanDerWaalsContact C-N 3.32Å; E1055-T1057 PolarHBondContact O-N 2.98Å; T1057-W1130 HydrophobicContact CG2-CE3 4.16Å; T1057-W1130 HydrophobicContact CG2-CH2 3.79Å; T1057-W1130 HydrophobicContact CG2-CZ2 4.47Å; T1057-W1130 HydrophobicContact CG2-CZ3 3.6Å |
| 1058 | N | 93.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 9.3 Ų | 9.3 | 6% | 0.064 | 4% | 0.04 | C | C | . | . | trans | -143.8 | 2.6 | -175.9 | 69 | 30.1 | 0 | 0 | 0 | 116 | N394 K395 G397 V683 G1099 G1100 R1328 | N394-N1058 PolarHBondContact O-ND2 2.88Å; N394-N1058 VanDerWaalsContact O-ND2 3.13Å; K395-N1058 PolarHBondContact O-ND2 3.13Å; K395-N1058 VanDerWaalsContact O-ND2 3.16Å; G397-N1058 VanDerWaalsContact CA-ND2 3.33Å; G397-N1058 WeakPolarHBondContact CA-ND2 3.42Å; G397-N1058 PolarHBondContact N-ND2 2.74Å; V683-N1058 HydrophobicContact CG2-CB 4.38Å; N1058-G1099 PolarHBondContact N-O 3.14Å; N1058-G1100 WeakPolarHBondContact OD1-CA 3.38Å; N1058-R1328 PolarHBondContact OD1-NH2 2.74Å | ||
| 1059 | G | 90.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | -95.8 | 16.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1063 G1099 | G1059-M1063 VanDerWaalsContact O-CB 3.26Å; G1059-M1063 WeakPolarHBondContact O-CB 3.33Å; G1059-M1063 PolarHBondContact O-N 3.06Å; G1059-G1099 PolarHBondContact N-O 2.64Å | ||
| 1060 | D | 94.5 | Very high | 92.8 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 6% | 0.059 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -75.4 | -33 | -169.1 | 59.7 | -93.2 | 0 | 0 | 0 | 114.6 | R501 I1051 A1064 P1098 | R501-D1060 IonicContact CZ-OD1 2.63Å; R501-D1060 IonicContact NH2-OD1 2.7Å; R501-D1060 PolarHBondContact NH2-OD1 3.43Å; I1051-D1060 HydrophobicContact CG2-CB 4.22Å; D1060-A1064 WeakPolarHBondContact O-CB 3.33Å; D1060-A1064 PolarHBondContact O-N 2.98Å; D1060-P1098 HydrophobicContact CB-CB 4.47Å; D1060-P1098 HydrophobicContact CB-CG 4.22Å |
| 1061 | R | 94.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 7.9 Ų | 7.9 | 12% | 0.117 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -80.2 | -39.8 | -174.6 | -66.1 | -58.1 | -178.4 | 112 | -2.1 | 113 | E508 A1064 A1065 | E508-R1061 IonicContact OE1-CZ 3.22Å; E508-R1061 IonicContact OE1-NH1 2.76Å; E508-R1061 PolarHBondContact OE1-NH1 2.78Å; E508-R1061 IonicContact OE1-NH2 2.7Å; E508-R1061 PolarHBondContact OE1-NH2 2.99Å; E508-R1061 IonicContact OE2-CZ 2.84Å; E508-R1061 IonicContact OE2-NH1 2.8Å; E508-R1061 PolarHBondContact OE2-NH1 3.47Å; E508-R1061 VanDerWaalsContact OE2-NH1 3.17Å; E508-R1061 IonicContact OE2-NH2 2.86Å; E508-R1061 PolarHBondContact OE2-NH2 3.47Å; R1061-A1064 WeakPolarHBondContact O-CB 3.42Å; R1061-A1064 PolarHBondContact O-N 3.13Å; R1061-A1065 PolarHBondContact O-N 2.91Å |
| 1062 | E | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -70.4 | -34.6 | 173.9 | 62.8 | -95.6 | -131.5 | 0 | 0 | 112 | S684 F710 A1064 A1065 A1066 E1327 R1328 | S684-E1062 PolarHBondContact N-OE1 3.07Å; F710-E1062 HydrophobicContact CE1-CB 4.03Å; F710-E1062 HydrophobicContact CZ-CB 4.23Å; E1062-A1064 VanDerWaalsContact C-N 3.35Å; E1062-A1065 PolarHBondContact O-N 3Å; E1062-A1066 PolarHBondContact O-N 2.64Å; E1062-E1327 HydrophobicContact CB-CG 4.46Å; E1062-E1327 WeakPolarHBondContact CB-O 3.32Å; E1062-E1327 HydrophobicContact CG-CB 4.38Å; E1062-E1327 HydrophobicContact CG-CG 3.59Å; E1062-R1328 HydrophobicContact CG-CG 3.77Å; E1062-R1328 IonicContact OE1-CZ 3.38Å; E1062-R1328 IonicContact OE1-NE 3.85Å; E1062-R1328 PolarHBondContact OE1-NE 3.36Å; E1062-R1328 IonicContact OE1-NH2 2.7Å; E1062-R1328 PolarHBondContact OE1-NH2 2.93Å |
| 1063 | M | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 169.4 | -175.3 | 56.9 | 73.4 | 0 | 0 | 111.4 | I1051 G1059 A1065 A1066 L1067 V1096 L1156 V1158 E1327 F1355 | I1051-M1063 HydrophobicContact CD1-CB 4.02Å; I1051-M1063 HydrophobicContact CD1-CG 3.8Å; I1051-M1063 HydrophobicContact CG1-CG 4.21Å; G1059-M1063 VanDerWaalsContact O-CB 3.26Å; G1059-M1063 WeakPolarHBondContact O-CB 3.33Å; G1059-M1063 PolarHBondContact O-N 3.06Å; M1063-A1065 VanDerWaalsContact C-N 3.34Å; M1063-A1065 PolarHBondContact O-N 2.75Å; M1063-A1066 PolarHBondContact O-N 2.9Å; M1063-L1067 HydrophobicContact CG-CD1 3.8Å; M1063-L1067 HydrophobicContact CG-CG 4.49Å; M1063-L1067 WeakPolarHBondContact O-CB 3.46Å; M1063-L1067 WeakPolarHBondContact O-CG 3.42Å; M1063-L1067 PolarHBondContact O-N 3.29Å; M1063-L1067 HydrophobicContact SD-CD1 3.85Å; M1063-L1067 HydrophobicContact SD-CG 4.04Å; M1063-V1096 HydrophobicContact CE-CG1 3.91Å; M1063-V1096 HydrophobicContact CG-CG1 3.78Å; M1063-V1096 HydrophobicContact SD-CG1 3.81Å; M1063-L1156 HydrophobicContact CE-CD2 4.18Å; M1063-L1156 HydrophobicContact SD-CD2 4.38Å; M1063-V1158 HydrophobicContact CE-CB 4.22Å; M1063-V1158 HydrophobicContact CE-CG2 3.61Å; M1063-E1327 HydrophobicContact CB-CB 4.27Å; M1063-E1327 HydrophobicContact CB-CG 4.09Å; M1063-E1327 HydrophobicContact CE-CB 3.75Å; M1063-E1327 HydrophobicContact CE-CG 3.74Å; M1063-E1327 HydrophobicContact SD-CB 4.07Å; M1063-F1355 HydrophobicContact CE-CE1 4.19Å; M1063-F1355 HydrophobicContact CE-CZ 4.47Å; M1063-F1355 HydrophobicContact SD-CE1 3.67Å; M1063-F1355 HydrophobicContact SD-CZ 4.24Å |
| 1064 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L284 F295 I1051 D1060 R1061 E1062 Y1068 V1074 | L284-A1064 HydrophobicContact CD2-CB 4.28Å; F295-A1064 HydrophobicContact CD1-CB 4.15Å; F295-A1064 HydrophobicContact CD2-CB 3.95Å; F295-A1064 HydrophobicContact CE1-CB 3.9Å; F295-A1064 HydrophobicContact CE2-CB 3.69Å; F295-A1064 HydrophobicContact CG-CB 4.17Å; F295-A1064 HydrophobicContact CZ-CB 3.66Å; I1051-A1064 HydrophobicContact CD1-CB 3.74Å; D1060-A1064 WeakPolarHBondContact O-CB 3.33Å; D1060-A1064 PolarHBondContact O-N 2.98Å; R1061-A1064 WeakPolarHBondContact O-CB 3.42Å; R1061-A1064 PolarHBondContact O-N 3.13Å; E1062-A1064 VanDerWaalsContact C-N 3.35Å; A1064-Y1068 WeakPolarHBondContact O-CA 3.48Å; A1064-Y1068 WeakPolarHBondContact O-CB 3.41Å; A1064-Y1068 PolarHBondContact O-N 3.26Å; A1064-V1074 HydrophobicContact CB-CG1 4.28Å |
| 1065 | A | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L284 F710 R1061 E1062 M1063 Y1068 L1069 F1330 | L284-A1065 HydrophobicContact CD2-CB 4.22Å; F710-A1065 HydrophobicContact CB-CB 3.75Å; F710-A1065 HydrophobicContact CD1-CB 3.71Å; F710-A1065 HydrophobicContact CD2-CB 3.5Å; F710-A1065 VanDerWaalsContact CD2-CB 3.5Å; F710-A1065 HydrophobicContact CE1-CB 4.09Å; F710-A1065 HydrophobicContact CE2-CB 3.91Å; F710-A1065 HydrophobicContact CG-CB 3.37Å; F710-A1065 HydrophobicContact CZ-CB 4.17Å; R1061-A1065 PolarHBondContact O-N 2.91Å; E1062-A1065 PolarHBondContact O-N 3Å; M1063-A1065 VanDerWaalsContact C-N 3.34Å; M1063-A1065 PolarHBondContact O-N 2.75Å; A1065-Y1068 PolarHBondContact O-N 3.46Å; A1065-L1069 WeakPolarHBondContact O-CB 3.4Å; A1065-L1069 WeakPolarHBondContact O-CG 3.15Å; A1065-L1069 PolarHBondContact O-N 2.95Å; A1065-F1330 HydrophobicContact CB-CE1 4.27Å; A1065-F1330 HydrophobicContact CB-CZ 3.82Å |
| 1066 | A | 90.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1062 M1063 V1070 E1327 F1330 F1355 | E1062-A1066 PolarHBondContact O-N 2.64Å; M1063-A1066 PolarHBondContact O-N 2.9Å; A1066-V1070 PolarHBondContact O-N 3.23Å; A1066-E1327 HydrophobicContact CB-CB 4.22Å; A1066-F1330 HydrophobicContact CB-CB 4.5Å; A1066-F1330 HydrophobicContact CB-CD1 3.63Å; A1066-F1330 HydrophobicContact CB-CE1 3.98Å; A1066-F1330 HydrophobicContact CB-CG 4.07Å; A1066-F1355 HydrophobicContact CB-CD2 3.84Å; A1066-F1355 HydrophobicContact CB-CE1 4.38Å; A1066-F1355 HydrophobicContact CB-CE2 3.64Å; A1066-F1355 HydrophobicContact CB-CG 4.32Å; A1066-F1355 HydrophobicContact CB-CZ 3.92Å |
| 1067 | L | 92.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 177.2 | -68.6 | 167.3 | 0 | 0 | 0 | 112 | V1049 I1051 M1063 V1070 G1071 F1072 V1074 V1096 F1355 | V1049-L1067 HydrophobicContact CG1-CD1 4.06Å; I1051-L1067 HydrophobicContact CD1-CD1 4.15Å; I1051-L1067 HydrophobicContact CG1-CD1 4.08Å; M1063-L1067 HydrophobicContact CG-CD1 3.8Å; M1063-L1067 HydrophobicContact CG-CG 4.49Å; M1063-L1067 WeakPolarHBondContact O-CB 3.46Å; M1063-L1067 WeakPolarHBondContact O-CG 3.42Å; M1063-L1067 PolarHBondContact O-N 3.29Å; M1063-L1067 HydrophobicContact SD-CD1 3.85Å; M1063-L1067 HydrophobicContact SD-CG 4.04Å; L1067-V1070 WeakPolarHBondContact O-CG2 3.21Å; L1067-G1071 PolarHBondContact O-N 2.85Å; L1067-F1072 HydrophobicContact CB-CB 4.43Å; L1067-F1072 HydrophobicContact CB-CD2 4.03Å; L1067-F1072 HydrophobicContact CD2-CD2 3.73Å; L1067-F1072 HydrophobicContact CD2-CE2 3.84Å; L1067-F1072 WeakPolarHBondContact O-CB 3.34Å; L1067-F1072 WeakPolarHBondContact O-CD2 2.97Å; L1067-F1072 PolarHBondContact O-N 3.38Å; L1067-V1074 HydrophobicContact CB-CG2 3.56Å; L1067-V1074 HydrophobicContact CD1-CG1 4.45Å; L1067-V1096 HydrophobicContact CD1-CB 4.41Å; L1067-V1096 HydrophobicContact CD1-CG2 3.8Å; L1067-F1355 HydrophobicContact CD2-CD1 3.8Å; L1067-F1355 HydrophobicContact CG-CD1 4.33Å |
| 1068 | Y | 91.4 | Very high | 92.6 | Very high | 39 Ų | 39 | 12.7 Ų | 12.7 | 15% | 0.153 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -56.7 | -61.2 | 173.7 | -177.8 | -103.7 | 0 | 0 | 0 | 108.7 | L284 N297 L711 R1045 A1064 A1065 V1070 G1071 | L284-Y1068 HydrophobicContact CD1-CD1 3.81Å; L284-Y1068 HydrophobicContact CD1-CD2 3.58Å; L284-Y1068 HydrophobicContact CD1-CE1 3.85Å; L284-Y1068 HydrophobicContact CD1-CE2 3.6Å; L284-Y1068 HydrophobicContact CD1-CG 3.7Å; L284-Y1068 HydrophobicContact CD2-CD1 4.03Å; L284-Y1068 HydrophobicContact CD2-CD2 4.43Å; L284-Y1068 HydrophobicContact CD2-CG 3.86Å; L284-Y1068 HydrophobicContact CG-CG 4.47Å; N297-Y1068 VanDerWaalsContact CB-OH 3.25Å; N297-Y1068 WeakPolarHBondContact CB-OH 3.45Å; L711-Y1068 HydrophobicContact CD1-CE1 4.13Å; R1045-Y1068 VanDerWaalsContact CD-O 3.23Å; R1045-Y1068 WeakPolarHBondContact CD-O 3.3Å; R1045-Y1068 VanDerWaalsContact CZ-C 3.45Å; R1045-Y1068 PolarHBondContact NE-O 2.84Å; R1045-Y1068 PolarHBondContact NH1-O 3.39Å; R1045-Y1068 VanDerWaalsContact NH2-CE1 3.34Å; R1045-Y1068 PolarHBondContact NH2-O 2.95Å; A1064-Y1068 WeakPolarHBondContact O-CA 3.48Å; A1064-Y1068 WeakPolarHBondContact O-CB 3.41Å; A1064-Y1068 PolarHBondContact O-N 3.26Å; A1065-Y1068 PolarHBondContact O-N 3.46Å; Y1068-V1070 VanDerWaalsContact C-N 3.29Å; Y1068-V1070 PolarHBondContact O-N 3.22Å; Y1068-V1070 VanDerWaalsContact O-N 3.12Å; Y1068-G1071 PolarHBondContact O-N 3.3Å |
| 1069 | L | 87.3 | Confident | 92.6 | Very high | 45 Ų | 45 | 12.1 Ų | 12.1 | 24% | 0.236 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -48.6 | -43.6 | -174.9 | -84.6 | 166 | 0 | 0 | 0 | 114.6 | L711 A1065 F1330 M1331 L1352 | L711-L1069 HydrophobicContact CD2-CD2 3.65Å; L711-L1069 HydrophobicContact CD2-CG 4.09Å; A1065-L1069 WeakPolarHBondContact O-CB 3.4Å; A1065-L1069 WeakPolarHBondContact O-CG 3.15Å; A1065-L1069 PolarHBondContact O-N 2.95Å; L1069-F1330 HydrophobicContact CD1-CD2 3.77Å; L1069-F1330 HydrophobicContact CD1-CE2 3.27Å; L1069-F1330 HydrophobicContact CD1-CZ 4.14Å; L1069-M1331 HydrophobicContact CD1-SD 4.32Å; L1069-L1352 HydrophobicContact CB-CD1 4.08Å |
| 1070 | V | 83.9 | Confident | 92.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -77.7 | -32 | -175.4 | -62.6 | 0 | 0 | 0 | 0 | 115.3 | A1066 L1067 Y1068 F1072 L1352 F1355 R1356 | A1066-V1070 PolarHBondContact O-N 3.23Å; L1067-V1070 WeakPolarHBondContact O-CG2 3.21Å; Y1068-V1070 VanDerWaalsContact C-N 3.29Å; Y1068-V1070 PolarHBondContact O-N 3.22Å; Y1068-V1070 VanDerWaalsContact O-N 3.12Å; V1070-F1072 HydrophobicContact CG2-CD2 3.9Å; V1070-F1072 HydrophobicContact CG2-CE2 4.02Å; V1070-L1352 HydrophobicContact CG1-CD1 3.48Å; V1070-L1352 VanDerWaalsContact CG1-CD1 3.48Å; V1070-L1352 HydrophobicContact CG1-CG 3.65Å; V1070-L1352 WeakPolarHBondContact CG1-O 3.27Å; V1070-F1355 HydrophobicContact CB-CB 4.4Å; V1070-F1355 HydrophobicContact CG1-CB 3.89Å; V1070-F1355 HydrophobicContact CG2-CB 3.72Å; V1070-R1356 HydrophobicContact CB-CB 4.02Å; V1070-R1356 HydrophobicContact CG1-CB 3.91Å |
| 1071 | G | 87.7 | Confident | 92.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 170.1 | -10.9 | -168 | 0 | 0 | 0 | 0 | 0 | 120.2 | R1045 N1046 I1047 L1067 Y1068 Y1359 | R1045-G1071 WeakPolarHBondContact CA-O 3.42Å; R1045-G1071 VanDerWaalsContact CB-O 3.32Å; R1045-G1071 WeakPolarHBondContact CB-O 3.35Å; N1046-G1071 PolarHBondContact N-O 2.82Å; I1047-G1071 PolarHBondContact N-O 2.75Å; L1067-G1071 PolarHBondContact O-N 2.85Å; Y1068-G1071 PolarHBondContact O-N 3.3Å; G1071-Y1359 WeakPolarHBondContact O-CD2 3.35Å; G1071-Y1359 WeakPolarHBondContact O-CE2 3.23Å |
| 1072 | F | 90.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 1% | 0.013 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141 | -165.5 | -60.6 | -70.7 | 0 | 0 | 0 | 114.8 | I1047 V1049 L1067 V1070 V1074 F1154 A1358 Y1359 | I1047-F1072 HydrophobicContact CB-CD1 3.79Å; I1047-F1072 HydrophobicContact CB-CE1 4Å; I1047-F1072 HydrophobicContact CG2-CD1 3.83Å; I1047-F1072 HydrophobicContact CG2-CE1 3.78Å; I1047-F1072 CarbonylContact O-C 3.49Å; I1047-F1072 WeakPolarHBondContact O-CA 3.27Å; I1047-F1072 WeakPolarHBondContact O-CD1 3.33Å; V1049-F1072 HydrophobicContact CB-CB 4.26Å; V1049-F1072 HydrophobicContact CB-CD1 4.21Å; V1049-F1072 HydrophobicContact CB-CG 4.23Å; V1049-F1072 HydrophobicContact CG2-CB 4.21Å; V1049-F1072 HydrophobicContact CG2-CD1 3.26Å; V1049-F1072 HydrophobicContact CG2-CD2 4.25Å; V1049-F1072 HydrophobicContact CG2-CE1 3.46Å; V1049-F1072 VanDerWaalsContact CG2-CE1 3.46Å; V1049-F1072 HydrophobicContact CG2-CE2 4.41Å; V1049-F1072 HydrophobicContact CG2-CG 3.67Å; V1049-F1072 HydrophobicContact CG2-CZ 4.03Å; L1067-F1072 HydrophobicContact CB-CB 4.43Å; L1067-F1072 HydrophobicContact CB-CD2 4.03Å; L1067-F1072 HydrophobicContact CD2-CD2 3.73Å; L1067-F1072 HydrophobicContact CD2-CE2 3.84Å; L1067-F1072 WeakPolarHBondContact O-CB 3.34Å; L1067-F1072 WeakPolarHBondContact O-CD2 2.97Å; L1067-F1072 PolarHBondContact O-N 3.38Å; V1070-F1072 HydrophobicContact CG2-CD2 3.9Å; V1070-F1072 HydrophobicContact CG2-CE2 4.02Å; F1072-V1074 HydrophobicContact CB-CG2 3.93Å; F1072-V1074 PolarHBondContact O-N 3.28Å; F1072-F1154 HydrophobicContact CE1-CE1 4.24Å; F1072-F1154 HydrophobicContact CE1-CZ 4.44Å; F1072-F1154 AromaticContact CZ-CE1 4Å; F1072-F1154 HydrophobicContact CZ-CE1 4Å; F1072-F1154 AromaticContact CZ-CZ 3.95Å; F1072-F1154 HydrophobicContact CZ-CZ 3.95Å; F1072-A1358 HydrophobicContact CZ-CB 4.4Å; F1072-Y1359 HydrophobicContact CD1-CD2 4.04Å; F1072-Y1359 AromaticContact CE1-CD2 3.88Å; F1072-Y1359 HydrophobicContact CE1-CD2 3.88Å; F1072-Y1359 VanDerWaalsContact CZ-CA 3.44Å; F1072-Y1359 HydrophobicContact CZ-CD2 4.24Å; F1072-Y1359 HydrophobicContact CZ-CG 4.44Å |
| 1073 | E | 93.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 13 Ų | 13 | 27% | 0.271 | 6% | 0.06 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 93.9 | 154.3 | -173.2 | -163.3 | 117.9 | 0 | 0 | 107 | F294 I1047 K1048 V1049 W1075 | F294-E1073 HydrophobicContact CB-CG 4.06Å; F294-E1073 HydrophobicContact CD2-CG 4.46Å; F294-E1073 HydrophobicContact CG-CG 4.38Å; I1047-E1073 PolarHBondContact O-N 2.85Å; K1048-E1073 WeakPolarHBondContact CA-O 3.29Å; K1048-E1073 HydrophobicContact CG-CB 4.32Å; K1048-E1073 IonicContact NZ-OE1 3.58Å; K1048-E1073 PolarHBondContact NZ-OE1 2.93Å; K1048-E1073 IonicContact NZ-OE2 3.37Å; K1048-E1073 PolarHBondContact NZ-OE2 2.87Å; V1049-E1073 PolarHBondContact N-O 3.43Å; E1073-W1075 PolarHBondContact OE1-NE1 2.98Å |
| 1074 | V | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.6 | -175 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | F294 F295 V1049 I1051 A1064 L1067 F1072 | F294-V1074 CarbonylContact C-O 3.59Å; F294-V1074 VanDerWaalsContact CA-O 3.24Å; F294-V1074 WeakPolarHBondContact CA-O 3.43Å; F295-V1074 HydrophobicContact CD2-CB 4.19Å; F295-V1074 HydrophobicContact CD2-CG1 4.04Å; F295-V1074 HydrophobicContact CE2-CG1 4.39Å; F295-V1074 PolarHBondContact N-O 2.92Å; V1049-V1074 CarbonylContact O-C 3.48Å; V1049-V1074 WeakPolarHBondContact O-CA 3.47Å; I1051-V1074 HydrophobicContact CD1-CG1 3.55Å; I1051-V1074 HydrophobicContact CG1-CG1 3.78Å; A1064-V1074 HydrophobicContact CB-CG1 4.28Å; L1067-V1074 HydrophobicContact CB-CG2 3.56Å; L1067-V1074 HydrophobicContact CD1-CG1 4.45Å; F1072-V1074 HydrophobicContact CB-CG2 3.93Å; F1072-V1074 PolarHBondContact O-N 3.28Å |
| 1075 | W | 95.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 19.9 Ų | 19.9 | 22% | 0.216 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 135.5 | 175.5 | -74 | 61.1 | 0 | 0 | 0 | 112.9 | S293 F294 V1049 I1051 E1073 V1077 F1092 | S293-W1075 WeakPolarHBondContact O-CA 3.15Å; F294-W1075 HydrophobicContact CB-CD2 4.15Å; F294-W1075 HydrophobicContact CB-CG 4.17Å; F294-W1075 HydrophobicContact CB-CZ2 4.34Å; F294-W1075 HydrophobicContact CD1-CZ2 4.14Å; V1049-W1075 PolarHBondContact O-N 2.72Å; I1051-W1075 PolarHBondContact N-O 3.25Å; E1073-W1075 PolarHBondContact OE1-NE1 2.98Å; W1075-V1077 HydrophobicContact CB-CG2 4.1Å; W1075-F1092 HydrophobicContact CB-CE1 3.92Å; W1075-F1092 HydrophobicContact CB-CZ 4.27Å; W1075-F1092 AromaticContact CD1-CE1 3.62Å; W1075-F1092 HydrophobicContact CD2-CE1 4.1Å; W1075-F1092 HydrophobicContact CD2-CZ 4.09Å; W1075-F1092 HydrophobicContact CE3-CZ 4.49Å; W1075-F1092 AromaticContact CG-CE1 3.6Å; W1075-F1092 HydrophobicContact CG-CE1 3.6Å; W1075-F1092 AromaticContact CG-CZ 3.99Å; W1075-F1092 HydrophobicContact CG-CZ 3.99Å |
| 1076 | D | 96 | Very high | 90.9 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125 | 161.2 | -176.1 | 53.1 | 0 | 0 | 0 | 109.3 | P286 S292 S293 F295 R585 R1053 | P286-D1076 HydrophobicContact CB-CB 4.09Å; P286-D1076 HydrophobicContact CG-CB 4.07Å; S292-D1076 WeakPolarHBondContact CA-O 3.46Å; S292-D1076 WeakPolarHBondContact CB-O 3.47Å; S293-D1076 PolarHBondContact N-O 3.18Å; S293-D1076 PolarHBondContact O-N 3Å; F295-D1076 HydrophobicContact CE2-CB 3.8Å; F295-D1076 HydrophobicContact CZ-CB 4.16Å; R585-D1076 IonicContact CZ-OD2 2.76Å; R585-D1076 VanDerWaalsContact CZ-OD2 3.31Å; R585-D1076 IonicContact NH1-OD2 3.99Å; R585-D1076 PolarHBondContact NH1-OD2 3.47Å; R585-D1076 IonicContact NH2-OD2 2.88Å; R585-D1076 PolarHBondContact NH2-OD2 3.02Å; R1053-D1076 IonicContact CZ-OD1 2.65Å; R1053-D1076 IonicContact CZ-OD2 2.69Å; R1053-D1076 IonicContact NE-OD1 2.72Å; R1053-D1076 PolarHBondContact NE-OD1 2.64Å; R1053-D1076 IonicContact NE-OD2 3.86Å; R1053-D1076 IonicContact NH2-OD1 2.67Å; R1053-D1076 PolarHBondContact NH2-OD1 3.17Å; R1053-D1076 IonicContact NH2-OD2 2.83Å; R1053-D1076 PolarHBondContact NH2-OD2 2.88Å |
| 1077 | V | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 119.5 | 178 | -172.4 | 0 | 0 | 0 | 0 | 109.1 | A1050 I1051 I1052 R1053 W1075 D1081 F1087 | A1050-V1077 HydrophobicContact CB-CG2 3.96Å; I1051-V1077 PolarHBondContact O-N 2.87Å; I1051-V1077 VanDerWaalsContact O-N 3.14Å; I1051-V1077 VanDerWaalsContact O-O 3.11Å; I1052-V1077 WeakPolarHBondContact CA-O 3.29Å; I1052-V1077 HydrophobicContact CD1-CB 3.74Å; I1052-V1077 HydrophobicContact CD1-CG1 3.8Å; I1052-V1077 HydrophobicContact CD1-CG2 4.14Å; R1053-V1077 WeakPolarHBondContact CG-O 3.4Å; R1053-V1077 PolarHBondContact N-O 2.79Å; W1075-V1077 HydrophobicContact CB-CG2 4.1Å; V1077-D1081 WeakPolarHBondContact CA-OD2 3.41Å; V1077-D1081 HydrophobicContact CG1-CB 4.08Å; V1077-F1087 HydrophobicContact CB-CZ 4.3Å; V1077-F1087 HydrophobicContact CG1-CD1 4.05Å; V1077-F1087 HydrophobicContact CG1-CE1 3.57Å; V1077-F1087 HydrophobicContact CG1-CE2 4.33Å; V1077-F1087 HydrophobicContact CG1-CZ 3.73Å; V1077-F1087 HydrophobicContact CG2-CE1 4.12Å; V1077-F1087 HydrophobicContact CG2-CE2 4.15Å; V1077-F1087 HydrophobicContact CG2-CZ 3.51Å |
| 1078 | T | 94.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 158.3 | 170.1 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | R585 R1053 Q1080 D1081 | R585-T1078 HydrophobicContact CG-CG2 4.09Å; R1053-T1078 HydrophobicContact CG-CG2 4.29Å; R1053-T1078 VanDerWaalsContact CZ-CG2 3.4Å; R1053-T1078 CarbonylContact O-C 3.56Å; R1053-T1078 VanDerWaalsContact O-CA 3.31Å; R1053-T1078 WeakPolarHBondContact O-CA 3.35Å; T1078-Q1080 PolarHBondContact O-N 2.85Å; T1078-Q1080 WeakPolarHBondContact OG1-CB 3.24Å; T1078-Q1080 PolarHBondContact OG1-N 2.67Å; T1078-D1081 PolarHBondContact N-OD2 2.97Å; T1078-D1081 WeakPolarHBondContact O-CB 3.36Å; T1078-D1081 PolarHBondContact O-N 3.32Å; T1078-D1081 VanDerWaalsContact O-N 3.09Å; T1078-D1081 PolarHBondContact OG1-N 2.89Å; T1078-D1081 VanDerWaalsContact OG1-N 3.07Å; T1078-D1081 PolarHBondContact OG1-OD2 2.79Å |
| 1079 | M | 93.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.2 | -31.2 | 162.6 | -72.5 | -55.5 | -52.5 | 0 | 0 | 111.7 | I1052 R1053 E1054 L1082 L1083 W1130 T1133 I1134 | I1052-M1079 HydrophobicContact CG2-SD 3.78Å; R1053-M1079 PolarHBondContact O-N 3.18Å; E1054-M1079 HydrophobicContact CB-CG 3.93Å; E1054-M1079 HydrophobicContact CG-CG 4.17Å; E1054-M1079 WeakPolarHBondContact OE2-CB 2.99Å; E1054-M1079 WeakPolarHBondContact OE2-CG 3.41Å; M1079-L1082 HydrophobicContact CE-CD2 4.08Å; M1079-L1082 PolarHBondContact O-N 2.77Å; M1079-L1083 WeakPolarHBondContact O-CD1 3.44Å; M1079-L1083 WeakPolarHBondContact O-CG 3.48Å; M1079-L1083 PolarHBondContact O-N 2.83Å; M1079-L1083 VanDerWaalsContact O-N 3.08Å; M1079-W1130 PolarHBondContact SD-NE1 2.85Å; M1079-T1133 HydrophobicContact CE-CG2 4.06Å; M1079-I1134 HydrophobicContact CE-CD1 4.31Å; M1079-I1134 HydrophobicContact CE-CG1 3.54Å; M1079-I1134 HydrophobicContact SD-CD1 4.34Å; M1079-I1134 HydrophobicContact SD-CG1 4.2Å |
| 1080 | Q | 92.5 | Very high | 90.7 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.7 | -35.7 | 177.1 | -151.5 | 63.7 | 28.9 | 0 | 0 | 113.2 | R585 T1078 L1082 L1083 D1084 | R585-Q1080 WeakPolarHBondContact O-CB 3.23Å; T1078-Q1080 PolarHBondContact O-N 2.85Å; T1078-Q1080 WeakPolarHBondContact OG1-CB 3.24Å; T1078-Q1080 PolarHBondContact OG1-N 2.67Å; Q1080-L1082 VanDerWaalsContact C-N 3.27Å; Q1080-L1082 PolarHBondContact O-N 2.97Å; Q1080-L1083 PolarHBondContact O-N 2.82Å; Q1080-D1084 WeakPolarHBondContact CG-OD2 3.35Å; Q1080-D1084 VanDerWaalsContact NE2-CG 3.28Å; Q1080-D1084 PolarHBondContact NE2-OD1 3.2Å; Q1080-D1084 PolarHBondContact NE2-OD2 2.99Å; Q1080-D1084 WeakPolarHBondContact O-CB 3.31Å; Q1080-D1084 PolarHBondContact O-N 2.95Å |
| 1081 | D | 93.2 | Very high | 91 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 173.4 | -66.1 | -54.3 | 0 | 0 | 0 | 111.3 | S292 R585 V1077 T1078 T1085 | S292-D1081 WeakPolarHBondContact CB-OD2 3.39Å; S292-D1081 PolarHBondContact N-OD1 2.99Å; S292-D1081 PolarHBondContact N-OD2 3.26Å; R585-D1081 IonicContact CZ-OD1 3.91Å; R585-D1081 IonicContact CZ-OD2 3.69Å; R585-D1081 VanDerWaalsContact CZ-OD2 3.31Å; R585-D1081 IonicContact NE-OD1 3.6Å; R585-D1081 PolarHBondContact NE-OD1 3.27Å; R585-D1081 IonicContact NE-OD2 2.7Å; R585-D1081 PolarHBondContact NE-OD2 2.59Å; R585-D1081 VanDerWaalsContact NE-OD2 3.08Å; R585-D1081 IonicContact NH2-OD1 3.27Å; R585-D1081 IonicContact NH2-OD2 3.14Å; R585-D1081 PolarHBondContact NH2-OD2 3.25Å; V1077-D1081 WeakPolarHBondContact CA-OD2 3.41Å; V1077-D1081 HydrophobicContact CG1-CB 4.08Å; T1078-D1081 PolarHBondContact N-OD2 2.97Å; T1078-D1081 WeakPolarHBondContact O-CB 3.36Å; T1078-D1081 PolarHBondContact O-N 3.32Å; T1078-D1081 VanDerWaalsContact O-N 3.09Å; T1078-D1081 PolarHBondContact OG1-N 2.89Å; T1078-D1081 VanDerWaalsContact OG1-N 3.07Å; T1078-D1081 PolarHBondContact OG1-OD2 2.79Å; D1081-T1085 WeakPolarHBondContact O-CB 3.43Å; D1081-T1085 PolarHBondContact O-N 2.89Å; D1081-T1085 PolarHBondContact O-OG1 2.8Å |
| 1082 | L | 90.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.9 | -32.8 | 178.9 | -177.5 | 66.4 | 0 | 0 | 0 | 113.4 | M1079 Q1080 F1087 F1089 A1140 C1143 | M1079-L1082 HydrophobicContact CE-CD2 4.08Å; M1079-L1082 PolarHBondContact O-N 2.77Å; Q1080-L1082 VanDerWaalsContact C-N 3.27Å; Q1080-L1082 PolarHBondContact O-N 2.97Å; L1082-F1087 HydrophobicContact CD1-CD1 4.4Å; L1082-F1089 HydrophobicContact CD1-CE1 4.18Å; L1082-F1089 HydrophobicContact CD1-CZ 4.1Å; L1082-F1089 HydrophobicContact CD2-CE1 4.36Å; L1082-F1089 HydrophobicContact CD2-CE2 4.42Å; L1082-F1089 HydrophobicContact CD2-CZ 3.69Å; L1082-A1140 HydrophobicContact CD2-CB 3.61Å; L1082-A1140 HydrophobicContact CG-CB 4.12Å; L1082-C1143 HydrophobicContact CD1-CB 4.37Å |
| 1083 | L | 89.4 | Confident | 91.4 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 18% | 0.178 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -81.7 | -44.4 | -177.4 | -67.8 | 166.7 | 0 | 0 | 0 | 112.7 | M1079 Q1080 T1133 N1137 | M1079-L1083 WeakPolarHBondContact O-CD1 3.44Å; M1079-L1083 WeakPolarHBondContact O-CG 3.48Å; M1079-L1083 PolarHBondContact O-N 2.83Å; M1079-L1083 VanDerWaalsContact O-N 3.08Å; Q1080-L1083 PolarHBondContact O-N 2.82Å; L1083-T1133 HydrophobicContact CD1-CG2 3.79Å; L1083-N1137 HydrophobicContact CD2-CB 3.91Å; L1083-N1137 VanDerWaalsContact CD2-CG 3.47Å; L1083-N1137 VanDerWaalsContact CD2-ND2 3.27Å; L1083-N1137 WeakPolarHBondContact CD2-ND2 3.32Å |
| 1084 | D | 86.6 | Confident | 91.3 | Very high | 82 Ų | 82 | 33.7 Ų | 33.7 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -93.1 | -15 | -172.2 | -79.2 | -31.1 | 0 | 0 | 0 | 114.5 | K584 Q1080 | K584-D1084 WeakPolarHBondContact CE-OD2 3.4Å; K584-D1084 IonicContact NZ-OD1 2.67Å; K584-D1084 PolarHBondContact NZ-OD1 3.14Å; K584-D1084 IonicContact NZ-OD2 3.67Å; K584-D1084 PolarHBondContact NZ-OD2 2.62Å; Q1080-D1084 WeakPolarHBondContact CG-OD2 3.35Å; Q1080-D1084 VanDerWaalsContact NE2-CG 3.28Å; Q1080-D1084 PolarHBondContact NE2-OD1 3.2Å; Q1080-D1084 PolarHBondContact NE2-OD2 2.99Å; Q1080-D1084 WeakPolarHBondContact O-CB 3.31Å; Q1080-D1084 PolarHBondContact O-N 2.95Å |
| 1085 | T | 84.3 | Confident | 91.4 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 39% | 0.387 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -130.1 | 168.9 | -172.9 | 87 | 0 | 0 | 0 | 0 | 112 | D1081 F1087 K1139 | D1081-T1085 WeakPolarHBondContact O-CB 3.43Å; D1081-T1085 PolarHBondContact O-N 2.89Å; D1081-T1085 PolarHBondContact O-OG1 2.8Å; T1085-F1087 PolarHBondContact O-N 2.91Å; T1085-F1087 PolarHBondContact OG1-N 3.03Å; T1085-K1139 PolarHBondContact O-NZ 2.89Å |
| 1086 | D | 84.4 | Confident | 91.4 | Very high | 154 Ų | 154 | 31 Ų | 31 | 82% | 0.824 | 17% | 0.167 | S | C | * | . | trans | -83 | 40.4 | 175.6 | -64.8 | -39.9 | 0 | 0 | 0 | 113.3 | K1139 | D1086-K1139 IonicContact OD1-NZ 3.79Å; D1086-K1139 PolarHBondContact OD1-NZ 3.18Å | ||
| 1087 | F | 87.3 | Confident | 91.3 | Very high | 24 Ų | 24 | 31 Ų | 31 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | trans | -71 | 135.7 | 169 | -167.8 | -89.6 | 0 | 0 | 0 | 110.5 | S292 V1077 L1082 T1085 F1089 F1092 | S292-F1087 WeakPolarHBondContact OG-CD2 2.95Å; S292-F1087 WeakPolarHBondContact OG-CE2 3.4Å; V1077-F1087 HydrophobicContact CB-CZ 4.3Å; V1077-F1087 HydrophobicContact CG1-CD1 4.05Å; V1077-F1087 HydrophobicContact CG1-CE1 3.57Å; V1077-F1087 HydrophobicContact CG1-CE2 4.33Å; V1077-F1087 HydrophobicContact CG1-CZ 3.73Å; V1077-F1087 HydrophobicContact CG2-CE1 4.12Å; V1077-F1087 HydrophobicContact CG2-CE2 4.15Å; V1077-F1087 HydrophobicContact CG2-CZ 3.51Å; L1082-F1087 HydrophobicContact CD1-CD1 4.4Å; T1085-F1087 PolarHBondContact O-N 2.91Å; T1085-F1087 PolarHBondContact OG1-N 3.03Å; F1087-F1089 HydrophobicContact CD1-CD1 4.4Å; F1087-F1089 HydrophobicContact CD1-CE1 4.39Å; F1087-F1089 AromaticContact CE1-CD1 3.91Å; F1087-F1089 HydrophobicContact CE1-CD1 3.91Å; F1087-F1089 HydrophobicContact CE1-CE1 4.03Å; F1087-F1092 HydrophobicContact CE1-CE2 4.13Å; F1087-F1092 HydrophobicContact CE2-CE2 4.27Å; F1087-F1092 HydrophobicContact CE2-CZ 4.32Å; F1087-F1092 AromaticContact CZ-CE2 3.51Å; F1087-F1092 HydrophobicContact CZ-CE2 3.51Å; F1087-F1092 AromaticContact CZ-CZ 3.76Å; F1087-F1092 HydrophobicContact CZ-CZ 3.76Å | ||
| 1088 | D | 88.6 | Confident | 91.3 | Very high | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | trans | -139.1 | 157.4 | 175.9 | -172.1 | 12.3 | 0 | 0 | 0 | 109.5 | D1090 P1091 C1143 K1146 | D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1088-P1091 VanDerWaalsContact O-CD 3.31Å; D1088-P1091 WeakPolarHBondContact O-CD 3.48Å; D1088-C1143 PolarHBondContact OD1-SG 2.96Å; D1088-K1146 IonicContact OD2-NZ 3.63Å; D1088-K1146 PolarHBondContact OD2-NZ 3.17Å | ||
| 1089 | F | 91.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -83.7 | -5.5 | -175.8 | -59 | -34.8 | 0 | 0 | 0 | 114 | I1052 L1082 F1087 P1091 F1092 I1095 C1143 L1144 F1147 | I1052-F1089 HydrophobicContact CD1-CD1 4.34Å; I1052-F1089 HydrophobicContact CD1-CE1 3.61Å; I1052-F1089 HydrophobicContact CD1-CZ 4.3Å; I1052-F1089 HydrophobicContact CG1-CE1 4.22Å; I1052-F1089 HydrophobicContact CG1-CZ 4.47Å; L1082-F1089 HydrophobicContact CD1-CE1 4.18Å; L1082-F1089 HydrophobicContact CD1-CZ 4.1Å; L1082-F1089 HydrophobicContact CD2-CE1 4.36Å; L1082-F1089 HydrophobicContact CD2-CE2 4.42Å; L1082-F1089 HydrophobicContact CD2-CZ 3.69Å; F1087-F1089 HydrophobicContact CD1-CD1 4.4Å; F1087-F1089 HydrophobicContact CD1-CE1 4.39Å; F1087-F1089 AromaticContact CE1-CD1 3.91Å; F1087-F1089 HydrophobicContact CE1-CD1 3.91Å; F1087-F1089 HydrophobicContact CE1-CE1 4.03Å; F1089-P1091 VanDerWaalsContact C-CD 3.43Å; F1089-F1092 PolarHBondContact O-N 3.47Å; F1089-F1092 VanDerWaalsContact O-N 3.16Å; F1089-I1095 HydrophobicContact CB-CD1 3.87Å; F1089-I1095 HydrophobicContact CD1-CD1 3.62Å; F1089-I1095 HydrophobicContact CD2-CD1 3.58Å; F1089-I1095 HydrophobicContact CE1-CD1 3.97Å; F1089-I1095 HydrophobicContact CE2-CD1 3.92Å; F1089-I1095 HydrophobicContact CG-CD1 3.42Å; F1089-I1095 VanDerWaalsContact CG-CD1 3.42Å; F1089-I1095 HydrophobicContact CZ-CD1 4.09Å; F1089-C1143 HydrophobicContact CD2-CB 3.91Å; F1089-C1143 HydrophobicContact CE2-CB 4.11Å; F1089-L1144 HydrophobicContact CE2-CB 4.17Å; F1089-L1144 HydrophobicContact CE2-CD1 4.35Å; F1089-F1147 HydrophobicContact CB-CB 3.98Å; F1089-F1147 HydrophobicContact CB-CD2 3.53Å; F1089-F1147 HydrophobicContact CB-CE2 4.29Å; F1089-F1147 HydrophobicContact CB-CG 3.96Å; F1089-F1147 HydrophobicContact CD2-CB 4.1Å; F1089-F1147 WeakPolarHBondContact O-CD2 3.46Å |
| 1090 | D | 90.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 30.9 Ų | 30.9 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -43.8 | 178.5 | -91 | 1.7 | 0 | 0 | 0 | 115.4 | D1088 F1092 K1146 R1150 | D1088-D1090 VanDerWaalsContact C-N 3.33Å; D1090-F1092 PolarHBondContact O-N 3.03Å; D1090-K1146 WeakPolarHBondContact OD1-CE 3.47Å; D1090-K1146 IonicContact OD1-NZ 3.45Å; D1090-K1146 PolarHBondContact OD1-NZ 2.65Å; D1090-K1146 VanDerWaalsContact OD1-NZ 3.12Å; D1090-K1146 WeakPolarHBondContact OD2-CE 3.25Å; D1090-K1146 IonicContact OD2-NZ 2.65Å; D1090-K1146 PolarHBondContact OD2-NZ 3.02Å; D1090-R1150 PolarHBondContact O-NH1 2.99Å |
| 1091 | P | 91.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 30.6 Ų | 30.6 | 53% | 0.526 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8 | -177.4 | -22.4 | 35.1 | 0 | 0 | 0 | 115.7 | D1088 F1089 | D1088-P1091 VanDerWaalsContact O-CD 3.31Å; D1088-P1091 WeakPolarHBondContact O-CD 3.48Å; F1089-P1091 VanDerWaalsContact C-CD 3.43Å |
| 1092 | F | 93.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | trans | -104.2 | 155.9 | -170.4 | -57.7 | -80.1 | 0 | 0 | 0 | 112.7 | K1048 A1050 W1075 F1087 F1089 D1090 F1147 R1150 | K1048-F1092 HydrophobicContact CB-CD1 4.04Å; A1050-F1092 HydrophobicContact CB-CD1 3.77Å; A1050-F1092 HydrophobicContact CB-CD2 4.25Å; A1050-F1092 HydrophobicContact CB-CE1 3.8Å; A1050-F1092 HydrophobicContact CB-CE2 4.29Å; A1050-F1092 HydrophobicContact CB-CG 4Å; A1050-F1092 HydrophobicContact CB-CZ 4.07Å; W1075-F1092 HydrophobicContact CB-CE1 3.92Å; W1075-F1092 HydrophobicContact CB-CZ 4.27Å; W1075-F1092 AromaticContact CD1-CE1 3.62Å; W1075-F1092 HydrophobicContact CD2-CE1 4.1Å; W1075-F1092 HydrophobicContact CD2-CZ 4.09Å; W1075-F1092 HydrophobicContact CE3-CZ 4.49Å; W1075-F1092 AromaticContact CG-CE1 3.6Å; W1075-F1092 HydrophobicContact CG-CE1 3.6Å; W1075-F1092 AromaticContact CG-CZ 3.99Å; W1075-F1092 HydrophobicContact CG-CZ 3.99Å; F1087-F1092 HydrophobicContact CE1-CE2 4.13Å; F1087-F1092 HydrophobicContact CE2-CE2 4.27Å; F1087-F1092 HydrophobicContact CE2-CZ 4.32Å; F1087-F1092 AromaticContact CZ-CE2 3.51Å; F1087-F1092 HydrophobicContact CZ-CE2 3.51Å; F1087-F1092 AromaticContact CZ-CZ 3.76Å; F1087-F1092 HydrophobicContact CZ-CZ 3.76Å; F1089-F1092 PolarHBondContact O-N 3.47Å; F1089-F1092 VanDerWaalsContact O-N 3.16Å; D1090-F1092 PolarHBondContact O-N 3.03Å; F1092-F1147 HydrophobicContact CB-CE2 4.1Å; F1092-R1150 PolarHBondContact O-NH1 3.18Å; F1092-R1150 PolarHBondContact O-NH2 3.04Å | ||
| 1093 | R | 91.4 | Very high | 90.2 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 19% | 0.192 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -107.3 | -19 | 170.6 | -65.2 | -78.2 | -88 | -154 | -6.6 | 112.1 | I1047 K1048 D1152 T1153 F1154 C1362 S1365 | I1047-R1093 HydrophobicContact CG2-CB 3.76Å; I1047-R1093 HydrophobicContact CG2-CG 3.98Å; K1048-R1093 PolarHBondContact O-N 2.98Å; R1093-D1152 VanDerWaalsContact CD-OD2 3.29Å; R1093-D1152 WeakPolarHBondContact CD-OD2 3.48Å; R1093-D1152 IonicContact CZ-OD2 2.73Å; R1093-D1152 IonicContact NE-OD2 3.62Å; R1093-D1152 IonicContact NH1-OD2 3.77Å; R1093-D1152 PolarHBondContact NH1-OD2 3.5Å; R1093-T1153 CarbonylContact O-C 3.59Å; R1093-T1153 VanDerWaalsContact O-CA 3.3Å; R1093-T1153 WeakPolarHBondContact O-CA 3.14Å; R1093-F1154 VanDerWaalsContact O-CD1 3.28Å; R1093-F1154 WeakPolarHBondContact O-CD1 3.35Å; R1093-F1154 PolarHBondContact O-N 2.55Å; R1093-C1362 PolarHBondContact NH2-O 3.44Å; R1093-S1365 PolarHBondContact NH2-O 3.26Å |
| 1094 | G | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1049 A1050 F1154 | V1049-G1094 WeakPolarHBondContact CA-O 3.47Å; A1050-G1094 PolarHBondContact N-O 2.89Å; G1094-F1154 VanDerWaalsContact CA-CE1 3.46Å; G1094-F1154 WeakPolarHBondContact CA-O 3.31Å |
| 1095 | I | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139 | 167.1 | -83.1 | 176.2 | 0 | 0 | 0 | 108.9 | A1050 I1052 F1089 F1097 F1147 F1154 I1155 L1156 | A1050-I1095 HydrophobicContact CB-CG1 4.45Å; A1050-I1095 CarbonylContact O-C 3.59Å; A1050-I1095 WeakPolarHBondContact O-CA 3.46Å; I1052-I1095 HydrophobicContact CG1-CD1 4.45Å; I1052-I1095 HydrophobicContact CG1-CG1 4.31Å; I1052-I1095 HydrophobicContact CG1-CG2 3.8Å; F1089-I1095 HydrophobicContact CB-CD1 3.87Å; F1089-I1095 HydrophobicContact CD1-CD1 3.62Å; F1089-I1095 HydrophobicContact CD2-CD1 3.58Å; F1089-I1095 HydrophobicContact CE1-CD1 3.97Å; F1089-I1095 HydrophobicContact CE2-CD1 3.92Å; F1089-I1095 HydrophobicContact CG-CD1 3.42Å; F1089-I1095 VanDerWaalsContact CG-CD1 3.42Å; F1089-I1095 HydrophobicContact CZ-CD1 4.09Å; I1095-F1097 HydrophobicContact CG2-CD2 4.44Å; I1095-F1097 HydrophobicContact CG2-CE1 4.15Å; I1095-F1097 HydrophobicContact CG2-CE2 3.99Å; I1095-F1097 HydrophobicContact CG2-CZ 3.84Å; I1095-F1147 HydrophobicContact CB-CD1 4.44Å; I1095-F1147 HydrophobicContact CB-CE1 3.82Å; I1095-F1147 HydrophobicContact CB-CZ 4.19Å; I1095-F1147 HydrophobicContact CD1-CD1 3.71Å; I1095-F1147 HydrophobicContact CD1-CD2 4.13Å; I1095-F1147 HydrophobicContact CD1-CE1 3.77Å; I1095-F1147 HydrophobicContact CD1-CE2 4.18Å; I1095-F1147 HydrophobicContact CD1-CG 3.88Å; I1095-F1147 HydrophobicContact CD1-CZ 4.01Å; I1095-F1147 HydrophobicContact CG1-CD1 4.24Å; I1095-F1147 HydrophobicContact CG1-CE1 3.77Å; I1095-F1147 HydrophobicContact CG1-CE2 4.28Å; I1095-F1147 HydrophobicContact CG1-CZ 3.79Å; I1095-F1154 PolarHBondContact N-O 3.42Å; I1095-I1155 HydrophobicContact CB-CG1 4.46Å; I1095-I1155 HydrophobicContact CG2-CG2 4.44Å; I1095-I1155 WeakPolarHBondContact O-CA 3.47Å; I1095-L1156 PolarHBondContact O-N 2.81Å |
| 1096 | V | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.1 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 111 | V1049 A1050 I1051 I1052 M1063 L1067 F1154 L1156 | V1049-V1096 HydrophobicContact CG1-CG2 3.91Å; A1050-V1096 PolarHBondContact O-N 2.74Å; I1051-V1096 WeakPolarHBondContact CA-O 3.37Å; I1051-V1096 HydrophobicContact CG1-CB 4.44Å; I1052-V1096 PolarHBondContact N-O 2.75Å; M1063-V1096 HydrophobicContact CE-CG1 3.91Å; M1063-V1096 HydrophobicContact CG-CG1 3.78Å; M1063-V1096 HydrophobicContact SD-CG1 3.81Å; L1067-V1096 HydrophobicContact CD1-CB 4.41Å; L1067-V1096 HydrophobicContact CD1-CG2 3.8Å; V1096-F1154 HydrophobicContact CG2-CE2 4.49Å; V1096-L1156 CarbonylContact C-O 3.48Å; V1096-L1156 VanDerWaalsContact CA-O 3.27Å; V1096-L1156 WeakPolarHBondContact CA-O 3.16Å; V1096-L1156 HydrophobicContact CB-CB 4.49Å; V1096-L1156 HydrophobicContact CG1-CB 4.1Å; V1096-L1156 HydrophobicContact CG1-CD2 4.07Å; V1096-L1156 HydrophobicContact CG1-CG 4.17Å; V1096-L1156 HydrophobicContact CG2-CB 4.06Å; V1096-L1156 HydrophobicContact CG2-CD2 4.47Å |
| 1097 | F | 95.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.5 | 169.4 | -58.7 | -65 | 0 | 0 | 0 | 108.5 | I1052 I1095 W1130 L1144 I1155 L1156 G1157 V1158 L1164 M1165 | I1052-F1097 HydrophobicContact CB-CD1 3.92Å; I1052-F1097 HydrophobicContact CB-CE1 3.83Å; I1052-F1097 HydrophobicContact CG1-CE1 4.28Å; I1052-F1097 HydrophobicContact CG2-CD1 4.34Å; I1052-F1097 HydrophobicContact CG2-CE1 3.99Å; I1095-F1097 HydrophobicContact CG2-CD2 4.44Å; I1095-F1097 HydrophobicContact CG2-CE1 4.15Å; I1095-F1097 HydrophobicContact CG2-CE2 3.99Å; I1095-F1097 HydrophobicContact CG2-CZ 3.84Å; F1097-W1130 HydrophobicContact CB-CH2 3.92Å; F1097-W1130 HydrophobicContact CB-CZ2 4.36Å; F1097-W1130 HydrophobicContact CD1-CH2 4.15Å; F1097-W1130 AromaticContact CD1-CZ2 3.71Å; F1097-W1130 HydrophobicContact CD1-CZ2 3.71Å; F1097-W1130 HydrophobicContact CG-CH2 4.49Å; F1097-W1130 HydrophobicContact CG-CZ2 4.46Å; F1097-L1144 HydrophobicContact CZ-CD1 4.23Å; F1097-I1155 HydrophobicContact CD2-CG2 3.92Å; F1097-I1155 HydrophobicContact CE2-CG2 3.73Å; F1097-L1156 PolarHBondContact N-O 3.08Å; F1097-G1157 WeakPolarHBondContact O-CA 3.17Å; F1097-V1158 PolarHBondContact O-N 3.06Å; F1097-L1164 HydrophobicContact CB-CD2 4.16Å; F1097-L1164 HydrophobicContact CD1-CD2 3.59Å; F1097-L1164 HydrophobicContact CD2-CD2 4.11Å; F1097-L1164 HydrophobicContact CE1-CD2 3.9Å; F1097-L1164 HydrophobicContact CE2-CD2 4.38Å; F1097-L1164 HydrophobicContact CG-CD2 3.7Å; F1097-L1164 HydrophobicContact CZ-CD2 4.29Å; F1097-M1165 HydrophobicContact CD2-CG 3.94Å; F1097-M1165 HydrophobicContact CD2-SD 4.29Å; F1097-M1165 HydrophobicContact CE2-CG 4.26Å |
| 1098 | P | 93.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -77.3 | 172.7 | -176.2 | 32.5 | -35.9 | 0 | 0 | 0 | 112.8 | I1051 I1052 R1053 D1060 V1158 G1161 | I1051-P1098 HydrophobicContact CG2-CB 4.34Å; I1051-P1098 HydrophobicContact CG2-CG 3.82Å; I1052-P1098 WeakPolarHBondContact O-CD 3.2Å; R1053-P1098 HydrophobicContact CB-CG 4.22Å; D1060-P1098 HydrophobicContact CB-CB 4.47Å; D1060-P1098 HydrophobicContact CB-CG 4.22Å; P1098-V1158 CarbonylContact C-O 3.36Å; P1098-G1161 PolarHBondContact O-N 3.21Å | ||
| 1099 | G | 87.8 | Confident | 85 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -79.4 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1058 G1059 V1158 | N1058-G1099 PolarHBondContact N-O 3.14Å; G1059-G1099 PolarHBondContact N-O 2.64Å; G1099-V1158 VanDerWaalsContact CA-O 3.31Å; G1099-V1158 WeakPolarHBondContact CA-O 3.31Å; G1099-V1158 PolarHBondContact N-O 2.84Å | ||
| 1100 | G | 88.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | 140.5 | -151.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1058 N1160 | N1058-G1100 WeakPolarHBondContact OD1-CA 3.38Å; G1100-N1160 WeakPolarHBondContact O-CB 3.34Å |
| 1101 | F | 88 | Confident | 79.6 | Confident | 11 Ų | 11 | 21.7 Ų | 21.7 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | trans | -135.3 | 71.3 | -178.5 | -69.1 | -105.4 | 0 | 0 | 0 | 109.1 | N394 K395 G1056 Y1103 G1104 D1105 W1203 L1263 | N394-F1101 VanDerWaalsContact C-CE2 3.43Å; N394-F1101 HydrophobicContact CB-CE2 3.98Å; N394-F1101 HydrophobicContact CB-CZ 3.85Å; N394-F1101 WeakPolarHBondContact O-CD2 3.28Å; N394-F1101 WeakPolarHBondContact O-CE2 3.36Å; K395-F1101 HydrophobicContact CB-CB 4.45Å; K395-F1101 HydrophobicContact CB-CD2 4.48Å; K395-F1101 HydrophobicContact CB-CG 4.34Å; K395-F1101 HydrophobicContact CG-CB 4.1Å; K395-F1101 HydrophobicContact CG-CD1 3.66Å; K395-F1101 HydrophobicContact CG-CD2 4.22Å; K395-F1101 HydrophobicContact CG-CE1 3.96Å; K395-F1101 HydrophobicContact CG-CG 3.77Å; K395-F1101 HydrophobicContact CG-CZ 4.35Å; G1056-F1101 CarbonylContact C-O 3.55Å; G1056-F1101 WeakPolarHBondContact CA-O 3.12Å; G1056-F1101 CarbonylContact O-C 3.5Å; G1056-F1101 VanDerWaalsContact O-C 3.31Å; G1056-F1101 PolarHBondContact O-N 3.1Å; F1101-Y1103 PolarHBondContact O-N 2.86Å; F1101-G1104 WeakPolarHBondContact O-CA 3.23Å; F1101-G1104 PolarHBondContact O-N 3.5Å; F1101-D1105 VanDerWaalsContact CD1-OD2 3.25Å; F1101-D1105 WeakPolarHBondContact CD1-OD2 3.27Å; F1101-W1203 AromaticContact CE1-CD1 3.91Å; F1101-W1203 AromaticContact CZ-CD1 3.52Å; F1101-W1203 HydrophobicContact CZ-CG 4.43Å; F1101-W1203 AromaticContact CZ-NE1 3.31Å; F1101-W1203 VanDerWaalsContact CZ-NE1 3.31Å; F1101-L1263 HydrophobicContact CD1-CD1 4.28Å; F1101-L1263 HydrophobicContact CE1-CD1 3.74Å; F1101-L1263 HydrophobicContact CZ-CD1 4.36Å | ||
| 1102 | S | 88.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -56.2 | 128.4 | -177.5 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | E1055 G1104 D1105 P1127 N1160 | E1055-S1102 VanDerWaalsContact O-CA 3.25Å; E1055-S1102 WeakPolarHBondContact O-CA 3.48Å; S1102-G1104 PolarHBondContact O-N 3.01Å; S1102-D1105 PolarHBondContact O-N 2.86Å; S1102-P1127 WeakPolarHBondContact OG-CB 3.37Å; S1102-N1160 VanDerWaalsContact CB-OD1 3.25Å; S1102-N1160 WeakPolarHBondContact CB-OD1 3.36Å; S1102-N1160 PolarHBondContact N-OD1 2.98Å; S1102-N1160 PolarHBondContact OG-OD1 3.15Å |
| 1103 | Y | 89.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | 54.4 | 28.2 | -173.4 | -51.9 | -93 | 0 | 0 | 0 | 114.3 | N103 I107 R587 E1054 E1055 F1101 D1105 V1106 G1129 W1130 T1133 | N103-Y1103 WeakPolarHBondContact CB-O 3.45Å; N103-Y1103 PolarHBondContact OD1-O 3.37Å; I107-Y1103 HydrophobicContact CB-CD1 4.31Å; I107-Y1103 HydrophobicContact CB-CE1 4.34Å; I107-Y1103 HydrophobicContact CD1-CD1 4.28Å; I107-Y1103 HydrophobicContact CD1-CG 4.02Å; I107-Y1103 HydrophobicContact CG1-CD1 3.28Å; I107-Y1103 HydrophobicContact CG1-CD2 4.04Å; I107-Y1103 HydrophobicContact CG1-CE1 3.69Å; I107-Y1103 HydrophobicContact CG1-CE2 4.42Å; I107-Y1103 HydrophobicContact CG1-CG 3.44Å; I107-Y1103 VanDerWaalsContact CG1-CG 3.44Å; R587-Y1103 PolarHBondContact NH1-OH 3.41Å; E1054-Y1103 HydrophobicContact CG-CE2 3.8Å; E1054-Y1103 PolarHBondContact OE2-OH 3.27Å; E1054-Y1103 VanDerWaalsContact OE2-OH 3.12Å; E1055-Y1103 HydrophobicContact CG-CD1 4.19Å; E1055-Y1103 HydrophobicContact CG-CE1 4Å; E1055-Y1103 PolarHBondContact O-N 2.91Å; E1055-Y1103 WeakPolarHBondContact OE1-CE1 3.23Å; F1101-Y1103 PolarHBondContact O-N 2.86Å; Y1103-D1105 PolarHBondContact O-N 3.36Å; Y1103-V1106 VanDerWaalsContact O-CB 3.24Å; Y1103-V1106 WeakPolarHBondContact O-CB 3.24Å; Y1103-V1106 WeakPolarHBondContact O-CG2 3.46Å; Y1103-V1106 PolarHBondContact O-N 3.12Å; Y1103-G1129 VanDerWaalsContact CE2-C 3.44Å; Y1103-W1130 HydrophobicContact CE2-CB 4.2Å; Y1103-T1133 PolarHBondContact OH-OG1 3.49Å |
| 1104 | G | 82.7 | Confident | 70.9 | Confident | 14 Ų | 14 | 18.8 Ų | 18.8 | 14% | 0.144 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | 62.1 | 23 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1101 S1102 V1106 | F1101-G1104 WeakPolarHBondContact O-CA 3.23Å; F1101-G1104 PolarHBondContact O-N 3.5Å; S1102-G1104 PolarHBondContact O-N 3.01Å; G1104-V1106 PolarHBondContact O-N 2.82Å |
| 1105 | D | 79.1 | Confident | 67.8 | Low | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | 55.2 | 26.7 | -167.8 | -59.5 | -25.5 | 0 | 0 | 0 | 114.4 | F1101 S1102 Y1103 G1108 A1109 N1160 L1263 | F1101-D1105 VanDerWaalsContact CD1-OD2 3.25Å; F1101-D1105 WeakPolarHBondContact CD1-OD2 3.27Å; S1102-D1105 PolarHBondContact O-N 2.86Å; Y1103-D1105 PolarHBondContact O-N 3.36Å; D1105-G1108 CarbonylContact O-C 3.44Å; D1105-G1108 PolarHBondContact O-N 3.37Å; D1105-A1109 HydrophobicContact CB-CB 3.91Å; D1105-A1109 WeakPolarHBondContact O-CB 3.35Å; D1105-A1109 PolarHBondContact O-N 2.93Å; D1105-A1109 VanDerWaalsContact O-N 3.09Å; D1105-N1160 PolarHBondContact OD1-ND2 3.35Å; D1105-L1263 WeakPolarHBondContact OD2-CD1 3.5Å |
| 1106 | V | 80.6 | Confident | 64.7 | Low | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.121 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 148.7 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | F100 N103 A104 I107 Y1103 G1104 G1108 | F100-V1106 HydrophobicContact CD2-CB 4.5Å; F100-V1106 HydrophobicContact CD2-CG1 3.69Å; F100-V1106 HydrophobicContact CD2-CG2 4.18Å; F100-V1106 HydrophobicContact CE2-CG1 3.77Å; F100-V1106 HydrophobicContact CG-CG1 4.32Å; F100-V1106 HydrophobicContact CZ-CG1 4.44Å; N103-V1106 HydrophobicContact CB-CB 3.82Å; N103-V1106 HydrophobicContact CB-CG1 4.11Å; N103-V1106 HydrophobicContact CB-CG2 3.71Å; A104-V1106 HydrophobicContact CB-CG1 3.83Å; I107-V1106 HydrophobicContact CD1-CG1 4.49Å; I107-V1106 VanDerWaalsContact CD1-O 3.29Å; I107-V1106 WeakPolarHBondContact CD1-O 3.2Å; Y1103-V1106 VanDerWaalsContact O-CB 3.24Å; Y1103-V1106 WeakPolarHBondContact O-CB 3.24Å; Y1103-V1106 WeakPolarHBondContact O-CG2 3.46Å; Y1103-V1106 PolarHBondContact O-N 3.12Å; G1104-V1106 PolarHBondContact O-N 2.82Å; V1106-G1108 PolarHBondContact O-N 3.06Å; V1106-G1108 VanDerWaalsContact O-N 3.16Å |
| 1107 | L | 74.9 | Confident | 61.4 | Low | 25 Ų | 25 | 38.4 Ų | 38.4 | 13% | 0.131 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -1.9 | -164.8 | -54.3 | -173 | 0 | 0 | 0 | 115.9 | L62 F63 F100 A104 I107 F108 L119 | L62-L1107 HydrophobicContact CB-CD1 4.29Å; F63-L1107 HydrophobicContact CD1-CD2 4.08Å; F63-L1107 HydrophobicContact CE1-CD1 4.31Å; F63-L1107 HydrophobicContact CE1-CD2 3.94Å; F100-L1107 HydrophobicContact CE2-CD2 4.28Å; F100-L1107 HydrophobicContact CZ-CD2 3.86Å; A104-L1107 HydrophobicContact CB-CD2 4.27Å; A104-L1107 HydrophobicContact CB-CG 4.39Å; I107-L1107 HydrophobicContact CD1-CB 4.18Å; I107-L1107 HydrophobicContact CD1-CD1 4.03Å; I107-L1107 HydrophobicContact CD1-CG 3.96Å; I107-L1107 HydrophobicContact CG2-CD1 4.2Å; F108-L1107 HydrophobicContact CE1-CD1 4.19Å; F108-L1107 HydrophobicContact CZ-CD1 3.97Å; L119-L1107 HydrophobicContact CD2-CD2 3.74Å |
| 1108 | G | 53.1 | Low | 58.3 | Low | 6 Ų | 6 | 48.3 Ų | 48.3 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -155.8 | 57.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1105 V1106 V1125 L1126 | D1105-G1108 CarbonylContact O-C 3.44Å; D1105-G1108 PolarHBondContact O-N 3.37Å; V1106-G1108 PolarHBondContact O-N 3.06Å; V1106-G1108 VanDerWaalsContact O-N 3.16Å; G1108-V1125 CarbonylContact O-C 3.6Å; G1108-V1125 WeakPolarHBondContact O-CA 3.44Å; G1108-V1125 VanDerWaalsContact O-CG1 3.22Å; G1108-V1125 WeakPolarHBondContact O-CG1 3.22Å; G1108-L1126 VanDerWaalsContact CA-O 3.24Å; G1108-L1126 WeakPolarHBondContact CA-O 3.44Å; G1108-L1126 PolarHBondContact O-N 3.16Å |
| 1109 | A | 40.7 | Very low | 55.1 | Low | 52 Ų | 52 | 55.1 Ų | 55.1 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | trans | -144.6 | 136.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D1105 V1125 | D1105-A1109 HydrophobicContact CB-CB 3.91Å; D1105-A1109 WeakPolarHBondContact O-CB 3.35Å; D1105-A1109 PolarHBondContact O-N 2.93Å; D1105-A1109 VanDerWaalsContact O-N 3.09Å; A1109-V1125 HydrophobicContact CB-CG1 4.39Å; A1109-V1125 HydrophobicContact CB-CG2 4.2Å | ||
| 1110 | S | 34 | Very low | 52.3 | Low | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 31% | 0.313 | C | S | . | . | trans | -117.9 | 148.5 | 172.9 | 73.8 | 0 | 0 | 0 | 0 | 111 | E12 | E12-S1110 WeakPolarHBondContact OE2-CB 3.19Å; E12-S1110 PolarHBondContact OE2-OG 2.85Å | ||
| 1111 | K | 35 | Very low | 49.5 | Very low | 161 Ų | 161 | 65.1 Ų | 65.1 | 70% | 0.7 | 34% | 0.339 | S | S | * | . | trans | -94.6 | 110.6 | 177.6 | -69.8 | -172.9 | 175.7 | -174.9 | 0 | 107.8 | ||||
| 1112 | G | 34 | Very low | 46.8 | Very low | 12 Ų | 12 | 68 Ų | 68 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | trans | -69.4 | 150.5 | -156.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | E12 | E12-G1112 WeakPolarHBondContact OE1-CA 3.24Š| ||
| 1113 | I | 29.8 | Very low | 44.3 | Very low | 47 Ų | 47 | 68.7 Ų | 68.7 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | trans | -70.5 | 153.5 | 170 | -81.6 | 173.5 | 0 | 0 | 0 | 112.5 | E12 I1115 | E12-I1113 HydrophobicContact CB-CD1 4.22Å; E12-I1113 HydrophobicContact CB-CG1 4.03Å; E12-I1113 HydrophobicContact CG-CD1 3.93Å; E12-I1113 HydrophobicContact CG-CG1 4Å; E12-I1113 WeakPolarHBondContact OE1-CB 2.92Å; E12-I1113 WeakPolarHBondContact OE1-CG1 3.44Å; E12-I1113 PolarHBondContact OE1-N 2.86Å; I1113-I1115 HydrophobicContact CG2-CB 4.08Å; I1113-I1115 HydrophobicContact CG2-CD1 4.41Å; I1113-I1115 HydrophobicContact CG2-CG1 4.08Å | ||
| 1114 | T | 31.1 | Very low | 41.9 | Very low | 16 Ų | 16 | 69 Ų | 69 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | trans | -143.5 | 91.6 | 161.6 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | R16 N1023 | R16-T1114 WeakPolarHBondContact CD-O 3.22Å; N1023-T1114 WeakPolarHBondContact CA-OG1 3.46Å; N1023-T1114 HydrophobicContact CB-CG2 4.35Å; N1023-T1114 WeakPolarHBondContact CB-OG1 3.18Å; N1023-T1114 WeakPolarHBondContact OD1-CG2 3.45Å | ||
| 1115 | I | 27.8 | Very low | 40.1 | Very low | 95 Ų | 95 | 68.4 Ų | 68.4 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -135 | 151.9 | -175.3 | -67.2 | -179.9 | 0 | 0 | 0 | 111.5 | I1113 K1117 | I1113-I1115 HydrophobicContact CG2-CB 4.08Å; I1113-I1115 HydrophobicContact CG2-CD1 4.41Å; I1113-I1115 HydrophobicContact CG2-CG1 4.08Å; I1115-K1117 PolarHBondContact O-N 2.83Å | ||
| 1116 | F | 29.3 | Very low | 38.8 | Very low | 118 Ų | 118 | 69 Ų | 69 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | trans | -62 | 111.9 | -171.9 | -53.7 | -107 | 0 | 0 | 0 | 114.9 | R16 E32 | R16-F1116 VanDerWaalsContact NH2-CD2 3.29Å; R16-F1116 VanDerWaalsContact NH2-CG 3.34Å; E32-F1116 WeakPolarHBondContact OE1-CE2 3.39Å | ||
| 1117 | K | 26.7 | Very low | 37.7 | Very low | 200 Ų | 200 | 68 Ų | 68 | 87% | 0.87 | 35% | 0.348 | S | S | * | . | 177.5 | 163.4 | 123.6 | -99.2 | 161.3 | -175.8 | 172.2 | 0 | 112.4 | I1115 N1119 | I1115-K1117 PolarHBondContact O-N 2.83Å; K1117-N1119 PolarHBondContact O-N 3.47Å | |||
| 1118 | K | 29.8 | Very low | 37.5 | Very low | 209 Ų | 209 | 67.2 Ų | 67.2 | 91% | 0.909 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -76.4 | 25 | -171.9 | -150.4 | -178.9 | -177.7 | 179.8 | 0 | 115 | ||
| 1119 | N | 26.6 | Very low | 38.9 | Very low | 144 Ų | 144 | 67 Ų | 67 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -153.4 | 111.4 | 178.1 | -89 | -27.8 | 0 | 0 | 0 | 111.2 | K1117 | K1117-N1119 PolarHBondContact O-N 3.47Š|
| 1120 | S | 29.6 | Very low | 41.2 | Very low | 103 Ų | 103 | 64.5 Ų | 64.5 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | trans | 35.8 | 98.9 | 149.3 | -50.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1121 | L | 28.3 | Very low | 43.7 | Very low | 110 Ų | 110 | 63.7 Ų | 63.7 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | -162 | 121.3 | 123.4 | -134.6 | 72.2 | 0 | 0 | 0 | 110.4 | F67 | F67-L1121 HydrophobicContact CE1-CD2 3.82Å; F67-L1121 HydrophobicContact CE1-CG 4.28Å | |||
| 1122 | F | 32.4 | Very low | 46.1 | Very low | 72 Ų | 72 | 56 Ų | 56 | 32% | 0.316 | 28% | 0.282 | S | S | . | . | trans | -133.3 | 164.7 | 177.8 | -70.8 | -80.2 | 0 | 0 | 0 | 110.2 | Q1197 | F1122-Q1197 PolarHBondContact O-NE2 2.95Š| ||
| 1123 | L | 35 | Very low | 48.7 | Very low | 15 Ų | 15 | 55.5 Ų | 55.5 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | trans | -132.5 | 158.8 | -159.5 | -89.4 | 99.7 | 0 | 0 | 0 | 118.8 | E12 F67 Q1197 L1198 | E12-L1123 VanDerWaalsContact CD-CB 3.43Å; E12-L1123 VanDerWaalsContact CD-CD2 3.42Å; E12-L1123 HydrophobicContact CG-CB 4.36Å; E12-L1123 HydrophobicContact CG-CD1 3.81Å; E12-L1123 HydrophobicContact CG-CD2 3.38Å; E12-L1123 HydrophobicContact CG-CG 3.99Å; E12-L1123 WeakPolarHBondContact OE1-CB 3.37Å; E12-L1123 VanDerWaalsContact OE1-CD1 3.26Å; E12-L1123 WeakPolarHBondContact OE1-CD1 3.46Å; E12-L1123 VanDerWaalsContact OE2-CB 3.31Å; E12-L1123 WeakPolarHBondContact OE2-CB 3.48Å; F67-L1123 HydrophobicContact CD2-CD2 4.15Å; F67-L1123 HydrophobicContact CE1-CD1 3.74Å; F67-L1123 HydrophobicContact CE1-CD2 3.93Å; F67-L1123 HydrophobicContact CE1-CG 3.68Å; F67-L1123 HydrophobicContact CE2-CD1 4.43Å; F67-L1123 HydrophobicContact CE2-CD2 3.27Å; F67-L1123 HydrophobicContact CE2-CG 4.01Å; F67-L1123 HydrophobicContact CZ-CD1 3.45Å; F67-L1123 VanDerWaalsContact CZ-CD1 3.45Å; F67-L1123 HydrophobicContact CZ-CD2 3.17Å; F67-L1123 HydrophobicContact CZ-CG 3.4Å; L1123-Q1197 WeakPolarHBondContact O-CA 3.36Å; L1123-Q1197 VanDerWaalsContact O-CB 3.3Å; L1123-Q1197 WeakPolarHBondContact O-CB 3.4Å; L1123-Q1197 WeakPolarHBondContact O-CG 3.2Å; L1123-L1198 PolarHBondContact O-N 3.26Å | ||
| 1124 | P | 39.6 | Very low | 51.5 | Low | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.5 | -155.8 | 8.2 | 22.5 | 0 | 0 | 0 | 119.1 | S66 I1195 F1196 Q1197 | S66-P1124 VanDerWaalsContact CB-CG 3.44Å; P1124-I1195 HydrophobicContact CB-CG2 3.23Å; P1124-I1195 HydrophobicContact CG-CG2 3.27Å; P1124-F1196 CarbonylContact C-O 3.56Å; P1124-F1196 WeakPolarHBondContact CA-O 3.24Å; P1124-F1196 WeakPolarHBondContact CB-O 3.41Å; P1124-Q1197 HydrophobicContact CB-CG 3.7Å; P1124-Q1197 HydrophobicContact CG-CG 3.94Å |
| 1125 | V | 44.2 | Very low | 54.1 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.5 | -171.5 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | G1108 A1109 F1196 L1198 L1263 | G1108-V1125 CarbonylContact O-C 3.6Å; G1108-V1125 WeakPolarHBondContact O-CA 3.44Å; G1108-V1125 VanDerWaalsContact O-CG1 3.22Å; G1108-V1125 WeakPolarHBondContact O-CG1 3.22Å; A1109-V1125 HydrophobicContact CB-CG1 4.39Å; A1109-V1125 HydrophobicContact CB-CG2 4.2Å; V1125-F1196 PolarHBondContact N-O 2.57Å; V1125-L1198 HydrophobicContact CG2-CD1 4.34Å; V1125-L1198 HydrophobicContact CG2-CG 4.4Å; V1125-L1263 HydrophobicContact CB-CD2 4.46Å; V1125-L1263 HydrophobicContact CG1-CB 4.35Å; V1125-L1263 HydrophobicContact CG1-CD2 4.13Å; V1125-L1263 HydrophobicContact CG2-CD2 3.67Å |
| 1126 | L | 53 | Low | 56.9 | Low | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | trans | -154.6 | 138.5 | 174.7 | -68.9 | 177.7 | 0 | 0 | 0 | 109.4 | G1108 V1128 F1196 | G1108-L1126 VanDerWaalsContact CA-O 3.24Å; G1108-L1126 WeakPolarHBondContact CA-O 3.44Å; G1108-L1126 PolarHBondContact O-N 3.16Å; L1126-V1128 HydrophobicContact CB-CG2 3.81Å; L1126-V1128 PolarHBondContact O-N 3.19Å; L1126-F1196 HydrophobicContact CD2-CD2 4.12Å | ||
| 1127 | P | 57.2 | Low | 59.8 | Low | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -79.4 | 63.3 | 175.4 | 34.2 | -37.7 | 0 | 0 | 0 | 110.3 | S1102 G1129 W1130 A1131 Q1163 L1164 | S1102-P1127 WeakPolarHBondContact OG-CB 3.37Å; P1127-G1129 PolarHBondContact O-N 2.92Å; P1127-G1129 VanDerWaalsContact O-N 3.16Å; P1127-W1130 PolarHBondContact O-N 3.07Å; P1127-A1131 PolarHBondContact O-N 2.78Å; P1127-A1131 VanDerWaalsContact O-N 3.15Å; P1127-Q1163 HydrophobicContact CG-CB 3.7Å; P1127-L1164 HydrophobicContact CG-CB 4.18Å | ||
| 1128 | V | 71.2 | Confident | 62.7 | Low | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.8 | -33.3 | -176.2 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | W61 L62 L1126 A1132 | W61-V1128 HydrophobicContact CE3-CG1 4.05Å; W61-V1128 HydrophobicContact CH2-CG1 4.44Å; W61-V1128 HydrophobicContact CZ3-CG1 3.66Å; L62-V1128 HydrophobicContact CD2-CG1 3.91Å; L1126-V1128 HydrophobicContact CB-CG2 3.81Å; L1126-V1128 PolarHBondContact O-N 3.19Å; V1128-A1132 VanDerWaalsContact O-CB 3.27Å; V1128-A1132 WeakPolarHBondContact O-CB 3.33Å; V1128-A1132 PolarHBondContact O-N 3.42Å |
| 1129 | G | 82 | Confident | 65.6 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -57.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1103 P1127 A1131 A1132 T1133 | Y1103-G1129 VanDerWaalsContact CE2-C 3.44Å; P1127-G1129 PolarHBondContact O-N 2.92Å; P1127-G1129 VanDerWaalsContact O-N 3.16Å; G1129-A1131 VanDerWaalsContact C-N 3.3Å; G1129-A1131 PolarHBondContact O-N 3.31Å; G1129-A1132 WeakPolarHBondContact O-CB 3.14Å; G1129-A1132 PolarHBondContact O-N 3.21Å; G1129-A1132 VanDerWaalsContact O-N 3.11Å; G1129-T1133 PolarHBondContact O-N 3.42Å; G1129-T1133 VanDerWaalsContact O-N 3.08Å; G1129-T1133 PolarHBondContact O-OG1 3.28Å |
| 1130 | W | 88 | Confident | 68.7 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | -178.9 | -172.9 | 9 | 0 | 0 | 0 | 111.6 | I1052 E1054 T1057 M1079 F1097 Y1103 P1127 A1132 T1133 I1134 L1164 | I1052-W1130 WeakPolarHBondContact O-CZ2 3.35Å; E1054-W1130 HydrophobicContact CB-CD2 3.76Å; E1054-W1130 HydrophobicContact CB-CE3 4.41Å; E1054-W1130 HydrophobicContact CB-CG 3.84Å; E1054-W1130 HydrophobicContact CB-CZ2 4.25Å; E1054-W1130 HydrophobicContact CG-CB 4.22Å; E1054-W1130 HydrophobicContact CG-CD2 4.33Å; E1054-W1130 HydrophobicContact CG-CG 3.88Å; T1057-W1130 HydrophobicContact CG2-CE3 4.16Å; T1057-W1130 HydrophobicContact CG2-CH2 3.79Å; T1057-W1130 HydrophobicContact CG2-CZ2 4.47Å; T1057-W1130 HydrophobicContact CG2-CZ3 3.6Å; M1079-W1130 PolarHBondContact SD-NE1 2.85Å; F1097-W1130 HydrophobicContact CB-CH2 3.92Å; F1097-W1130 HydrophobicContact CB-CZ2 4.36Å; F1097-W1130 HydrophobicContact CD1-CH2 4.15Å; F1097-W1130 AromaticContact CD1-CZ2 3.71Å; F1097-W1130 HydrophobicContact CD1-CZ2 3.71Å; F1097-W1130 HydrophobicContact CG-CH2 4.49Å; F1097-W1130 HydrophobicContact CG-CZ2 4.46Å; Y1103-W1130 HydrophobicContact CE2-CB 4.2Å; P1127-W1130 PolarHBondContact O-N 3.07Å; W1130-A1132 VanDerWaalsContact C-N 3.34Å; W1130-A1132 PolarHBondContact O-N 3Å; W1130-T1133 PolarHBondContact O-N 3.4Å; W1130-I1134 PolarHBondContact O-N 2.79Å; W1130-L1164 HydrophobicContact CB-CD1 4.04Å; W1130-L1164 HydrophobicContact CD2-CD1 4.06Å; W1130-L1164 HydrophobicContact CD2-CD2 3.69Å; W1130-L1164 HydrophobicContact CD2-CG 4.36Å; W1130-L1164 HydrophobicContact CE3-CB 4.41Å; W1130-L1164 HydrophobicContact CE3-CD1 4.49Å; W1130-L1164 HydrophobicContact CE3-CD2 3.98Å; W1130-L1164 HydrophobicContact CG-CD1 3.83Å; W1130-L1164 HydrophobicContact CG-CD2 4.24Å; W1130-L1164 HydrophobicContact CH2-CD2 4.06Å; W1130-L1164 HydrophobicContact CZ2-CD2 3.79Å; W1130-L1164 HydrophobicContact CZ3-CD2 4.15Å |
| 1131 | A | 87.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W61 P1127 G1129 I1134 M1135 L1164 T1167 L1168 | W61-A1131 HydrophobicContact CH2-CB 3.78Å; P1127-A1131 PolarHBondContact O-N 2.78Å; P1127-A1131 VanDerWaalsContact O-N 3.15Å; G1129-A1131 VanDerWaalsContact C-N 3.3Å; G1129-A1131 PolarHBondContact O-N 3.31Å; A1131-I1134 PolarHBondContact O-N 2.7Å; A1131-M1135 VanDerWaalsContact O-CB 3.26Å; A1131-M1135 WeakPolarHBondContact O-CB 3.34Å; A1131-M1135 VanDerWaalsContact O-CG 3.26Å; A1131-M1135 WeakPolarHBondContact O-CG 3.23Å; A1131-M1135 PolarHBondContact O-N 3.23Å; A1131-L1164 HydrophobicContact CB-CD1 3.89Å; A1131-T1167 HydrophobicContact CB-CG2 3.46Å; A1131-T1167 VanDerWaalsContact CB-CG2 3.46Å; A1131-L1168 HydrophobicContact CB-CD2 4.07Å; A1131-L1168 HydrophobicContact CB-CG 4.41Å |
| 1132 | A | 86.1 | Confident | 74.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W61 L62 S111 V1128 G1129 W1130 I1134 M1135 F1136 | W61-A1132 HydrophobicContact CZ3-CB 3.89Å; L62-A1132 HydrophobicContact CD2-CB 3.45Å; L62-A1132 VanDerWaalsContact CD2-CB 3.45Å; S111-A1132 WeakPolarHBondContact OG-CB 3.06Å; V1128-A1132 VanDerWaalsContact O-CB 3.27Å; V1128-A1132 WeakPolarHBondContact O-CB 3.33Å; V1128-A1132 PolarHBondContact O-N 3.42Å; G1129-A1132 WeakPolarHBondContact O-CB 3.14Å; G1129-A1132 PolarHBondContact O-N 3.21Å; G1129-A1132 VanDerWaalsContact O-N 3.11Å; W1130-A1132 VanDerWaalsContact C-N 3.34Å; W1130-A1132 PolarHBondContact O-N 3Å; A1132-I1134 PolarHBondContact O-N 3.19Å; A1132-M1135 PolarHBondContact O-N 3Å; A1132-M1135 VanDerWaalsContact O-N 3.09Å; A1132-F1136 HydrophobicContact CB-CD2 4.45Å; A1132-F1136 HydrophobicContact CB-CE2 4.35Å; A1132-F1136 PolarHBondContact O-N 3.39Å |
| 1133 | T | 88.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.8 | -33.2 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | M1079 L1083 Y1103 G1129 W1130 N1137 | M1079-T1133 HydrophobicContact CE-CG2 4.06Å; L1083-T1133 HydrophobicContact CD1-CG2 3.79Å; Y1103-T1133 PolarHBondContact OH-OG1 3.49Å; G1129-T1133 PolarHBondContact O-N 3.42Å; G1129-T1133 VanDerWaalsContact O-N 3.08Å; G1129-T1133 PolarHBondContact O-OG1 3.28Å; W1130-T1133 PolarHBondContact O-N 3.4Å; T1133-N1137 WeakPolarHBondContact O-CB 3.33Å |
| 1134 | I | 88.7 | Confident | 79.9 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.4 | -51 | 170.2 | -65.7 | 167.8 | 0 | 0 | 0 | 111.1 | M1079 W1130 A1131 A1132 F1136 N1137 L1144 L1164 L1168 | M1079-I1134 HydrophobicContact CE-CD1 4.31Å; M1079-I1134 HydrophobicContact CE-CG1 3.54Å; M1079-I1134 HydrophobicContact SD-CD1 4.34Å; M1079-I1134 HydrophobicContact SD-CG1 4.2Å; W1130-I1134 PolarHBondContact O-N 2.79Å; A1131-I1134 PolarHBondContact O-N 2.7Å; A1132-I1134 PolarHBondContact O-N 3.19Å; I1134-F1136 PolarHBondContact O-N 3Å; I1134-N1137 PolarHBondContact O-N 3.49Å; I1134-N1137 VanDerWaalsContact O-O 3.06Å; I1134-L1144 HydrophobicContact CG2-CD2 3.85Å; I1134-L1164 HydrophobicContact CD1-CD1 4.38Å; I1134-L1164 HydrophobicContact CD1-CD2 4.36Å; I1134-L1168 HydrophobicContact CB-CD2 4.35Å; I1134-L1168 HydrophobicContact CD1-CD1 3.95Å; I1134-L1168 HydrophobicContact CG2-CD1 4.49Å; I1134-L1168 HydrophobicContact CG2-CD2 4.2Å |
| 1135 | M | 85.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 11% | 0.108 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.1 | -29.3 | -168.6 | -79.8 | -65.8 | -68.7 | 0 | 0 | 115.6 | A1131 A1132 K1141 L1168 F1186 | A1131-M1135 VanDerWaalsContact O-CB 3.26Å; A1131-M1135 WeakPolarHBondContact O-CB 3.34Å; A1131-M1135 VanDerWaalsContact O-CG 3.26Å; A1131-M1135 WeakPolarHBondContact O-CG 3.23Å; A1131-M1135 PolarHBondContact O-N 3.23Å; A1132-M1135 PolarHBondContact O-N 3Å; A1132-M1135 VanDerWaalsContact O-N 3.09Å; M1135-K1141 VanDerWaalsContact O-CD 3.32Å; M1135-K1141 WeakPolarHBondContact O-CD 3.23Å; M1135-K1141 PolarHBondContact O-NZ 3.27Å; M1135-L1168 HydrophobicContact CG-CD2 3.57Å; M1135-L1168 HydrophobicContact SD-CD2 4.1Å; M1135-F1186 HydrophobicContact CE-CB 4.44Å; M1135-F1186 HydrophobicContact SD-CB 4.34Å; M1135-F1186 HydrophobicContact SD-CD1 3.73Å |
| 1136 | F | 87.3 | Confident | 84.6 | Confident | 46 Ų | 46 | 31.2 Ų | 31.2 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.7 | -179 | -60.4 | -6.7 | 0 | 0 | 0 | 112.6 | K58 W61 L62 L113 A1132 I1134 | K58-F1136 HydrophobicContact CB-CD2 4.45Å; K58-F1136 HydrophobicContact CB-CE2 3.71Å; K58-F1136 HydrophobicContact CB-CZ 3.86Å; K58-F1136 HydrophobicContact CD-CD2 4.16Å; K58-F1136 HydrophobicContact CD-CE2 4.25Å; K58-F1136 HydrophobicContact CD-CG 4.49Å; K58-F1136 HydrophobicContact CG-CD2 4.26Å; K58-F1136 HydrophobicContact CG-CE1 4.21Å; K58-F1136 HydrophobicContact CG-CE2 3.87Å; K58-F1136 HydrophobicContact CG-CZ 3.86Å; W61-F1136 HydrophobicContact CB-CZ 4.42Å; W61-F1136 HydrophobicContact CD2-CE1 4.48Å; W61-F1136 HydrophobicContact CD2-CZ 4.34Å; W61-F1136 HydrophobicContact CE3-CE1 4.33Å; W61-F1136 AromaticContact CE3-CZ 3.93Å; W61-F1136 HydrophobicContact CE3-CZ 3.93Å; L62-F1136 HydrophobicContact CD1-CE2 4.02Å; L62-F1136 HydrophobicContact CD2-CE2 4.47Å; L62-F1136 HydrophobicContact CG-CE2 4.05Å; L62-F1136 HydrophobicContact CG-CZ 4.39Å; L113-F1136 HydrophobicContact CD1-CE2 4.33Å; A1132-F1136 HydrophobicContact CB-CD2 4.45Å; A1132-F1136 HydrophobicContact CB-CE2 4.35Å; A1132-F1136 PolarHBondContact O-N 3.39Å; I1134-F1136 PolarHBondContact O-N 3Å |
| 1137 | N | 88.9 | Confident | 86.5 | Confident | 50 Ų | 50 | 30.4 Ų | 30.4 | 27% | 0.267 | 14% | 0.142 | S | C | . | . | trans | -105.6 | 106.3 | 170 | -174.5 | -73.9 | 0 | 0 | 0 | 110 | L1083 T1133 I1134 K1139 A1140 K1141 | L1083-N1137 HydrophobicContact CD2-CB 3.91Å; L1083-N1137 VanDerWaalsContact CD2-CG 3.47Å; L1083-N1137 VanDerWaalsContact CD2-ND2 3.27Å; L1083-N1137 WeakPolarHBondContact CD2-ND2 3.32Å; T1133-N1137 WeakPolarHBondContact O-CB 3.33Å; I1134-N1137 PolarHBondContact O-N 3.49Å; I1134-N1137 VanDerWaalsContact O-O 3.06Å; N1137-K1139 VanDerWaalsContact C-N 3.28Å; N1137-K1139 PolarHBondContact O-N 3.21Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.38Å; N1137-K1139 PolarHBondContact OD1-N 3.34Å; N1137-A1140 HydrophobicContact CB-CB 4.19Å; N1137-A1140 PolarHBondContact O-N 2.94Å; N1137-A1140 PolarHBondContact OD1-N 3.02Å; N1137-K1141 VanDerWaalsContact O-CB 3.3Å; N1137-K1141 WeakPolarHBondContact O-CB 3.39Å; N1137-K1141 PolarHBondContact O-N 3.43Å; N1137-K1141 VanDerWaalsContact O-N 3.1Å | ||
| 1138 | E | 88.9 | Confident | 87.9 | Confident | 102 Ų | 102 | 30.7 Ų | 30.7 | 48% | 0.477 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.1 | -31 | -175.3 | -61.8 | -58.4 | 152.7 | 0 | 0 | 113.2 | K1141 E1142 | E1138-K1141 PolarHBondContact O-N 3.25Å; E1138-K1141 IonicContact OE1-NZ 2.73Å; E1138-K1141 PolarHBondContact OE1-NZ 3.21Å; E1138-K1141 VanDerWaalsContact OE2-CD 3.28Å; E1138-K1141 WeakPolarHBondContact OE2-CD 3.49Å; E1138-K1141 WeakPolarHBondContact OE2-CE 3.26Å; E1138-K1141 IonicContact OE2-NZ 3.61Å; E1138-K1141 PolarHBondContact OE2-NZ 3.45Å; E1138-E1142 VanDerWaalsContact O-CB 3.31Å; E1138-E1142 WeakPolarHBondContact O-CB 3.45Å; E1138-E1142 VanDerWaalsContact O-CG 3.31Å; E1138-E1142 WeakPolarHBondContact O-CG 3.36Å; E1138-E1142 PolarHBondContact O-N 3.2Å |
| 1139 | K | 90.8 | Very high | 88.8 | Confident | 72 Ų | 72 | 34.8 Ų | 34.8 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.3 | -54.4 | 175.3 | -174.9 | -175.6 | -168.3 | 175.2 | 0 | 111.1 | T1085 D1086 N1137 K1141 E1142 C1143 | T1085-K1139 PolarHBondContact O-NZ 2.89Å; D1086-K1139 IonicContact OD1-NZ 3.79Å; D1086-K1139 PolarHBondContact OD1-NZ 3.18Å; N1137-K1139 VanDerWaalsContact C-N 3.28Å; N1137-K1139 PolarHBondContact O-N 3.21Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.38Å; N1137-K1139 PolarHBondContact OD1-N 3.34Å; K1139-K1141 VanDerWaalsContact C-N 3.27Å; K1139-K1141 PolarHBondContact O-N 3Å; K1139-E1142 PolarHBondContact O-N 3.29Å; K1139-C1143 PolarHBondContact O-N 3.3Å; K1139-C1143 PolarHBondContact O-SG 3.24Å |
| 1140 | A | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1082 N1137 L1144 | L1082-A1140 HydrophobicContact CD2-CB 3.61Å; L1082-A1140 HydrophobicContact CG-CB 4.12Å; N1137-A1140 HydrophobicContact CB-CB 4.19Å; N1137-A1140 PolarHBondContact O-N 2.94Å; N1137-A1140 PolarHBondContact OD1-N 3.02Å; A1140-L1144 WeakPolarHBondContact O-CB 3.21Å; A1140-L1144 PolarHBondContact O-N 2.75Å |
| 1141 | K | 89.5 | Confident | 89 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 177.2 | 177.1 | 170.3 | 160.7 | -162.8 | 0 | 113.4 | M1135 N1137 E1138 K1139 K1145 | M1135-K1141 VanDerWaalsContact O-CD 3.32Å; M1135-K1141 WeakPolarHBondContact O-CD 3.23Å; M1135-K1141 PolarHBondContact O-NZ 3.27Å; N1137-K1141 VanDerWaalsContact O-CB 3.3Å; N1137-K1141 WeakPolarHBondContact O-CB 3.39Å; N1137-K1141 PolarHBondContact O-N 3.43Å; N1137-K1141 VanDerWaalsContact O-N 3.1Å; E1138-K1141 PolarHBondContact O-N 3.25Å; E1138-K1141 IonicContact OE1-NZ 2.73Å; E1138-K1141 PolarHBondContact OE1-NZ 3.21Å; E1138-K1141 VanDerWaalsContact OE2-CD 3.28Å; E1138-K1141 WeakPolarHBondContact OE2-CD 3.49Å; E1138-K1141 WeakPolarHBondContact OE2-CE 3.26Å; E1138-K1141 IonicContact OE2-NZ 3.61Å; E1138-K1141 PolarHBondContact OE2-NZ 3.45Å; K1139-K1141 VanDerWaalsContact C-N 3.27Å; K1139-K1141 PolarHBondContact O-N 3Å; K1141-K1145 HydrophobicContact CG-CD 4.45Å; K1141-K1145 WeakPolarHBondContact O-CB 3.34Å; K1141-K1145 WeakPolarHBondContact O-CD 3.35Å; K1141-K1145 WeakPolarHBondContact O-CG 3.43Å; K1141-K1145 PolarHBondContact O-N 3.09Å |
| 1142 | E | 90.7 | Very high | 89 | Confident | 126 Ų | 126 | 43.6 Ų | 43.6 | 59% | 0.589 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.2 | -46.4 | 174.6 | -77.1 | -174.9 | 165.4 | 0 | 0 | 111.6 | E1138 K1139 L1144 K1145 K1146 | E1138-E1142 VanDerWaalsContact O-CB 3.31Å; E1138-E1142 WeakPolarHBondContact O-CB 3.45Å; E1138-E1142 VanDerWaalsContact O-CG 3.31Å; E1138-E1142 WeakPolarHBondContact O-CG 3.36Å; E1138-E1142 PolarHBondContact O-N 3.2Å; K1139-E1142 PolarHBondContact O-N 3.29Å; E1142-L1144 VanDerWaalsContact C-N 3.31Å; E1142-L1144 PolarHBondContact O-N 3.38Å; E1142-K1145 PolarHBondContact O-N 2.95Å; E1142-K1146 WeakPolarHBondContact O-CB 3.35Å; E1142-K1146 PolarHBondContact O-N 2.88Å |
| 1143 | C | 90.9 | Very high | 89.2 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.095 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | L1082 D1088 F1089 K1139 K1146 F1147 | L1082-C1143 HydrophobicContact CD1-CB 4.37Å; D1088-C1143 PolarHBondContact OD1-SG 2.96Å; F1089-C1143 HydrophobicContact CD2-CB 3.91Å; F1089-C1143 HydrophobicContact CE2-CB 4.11Å; K1139-C1143 PolarHBondContact O-N 3.3Å; K1139-C1143 PolarHBondContact O-SG 3.24Å; C1143-K1146 PolarHBondContact O-N 3.25Å; C1143-F1147 WeakPolarHBondContact O-CB 3.47Å; C1143-F1147 PolarHBondContact O-N 3.04Å |
| 1144 | L | 90.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.8 | -43.7 | 178.1 | -175 | 57.6 | 0 | 0 | 0 | 112.8 | F1089 F1097 I1134 A1140 E1142 F1147 I1148 I1155 L1168 I1170 F1186 | F1089-L1144 HydrophobicContact CE2-CB 4.17Å; F1089-L1144 HydrophobicContact CE2-CD1 4.35Å; F1097-L1144 HydrophobicContact CZ-CD1 4.23Å; I1134-L1144 HydrophobicContact CG2-CD2 3.85Å; A1140-L1144 WeakPolarHBondContact O-CB 3.21Å; A1140-L1144 PolarHBondContact O-N 2.75Å; E1142-L1144 VanDerWaalsContact C-N 3.31Å; E1142-L1144 PolarHBondContact O-N 3.38Å; L1144-F1147 PolarHBondContact O-N 3.41Å; L1144-I1148 HydrophobicContact CD1-CD1 4.12Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.98Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.31Å; L1144-I1148 PolarHBondContact O-N 3.3Å; L1144-I1155 HydrophobicContact CD1-CD1 4.15Å; L1144-L1168 HydrophobicContact CD2-CD1 3.95Å; L1144-I1170 HydrophobicContact CD2-CD1 4.13Å; L1144-F1186 HydrophobicContact CD2-CE1 4.3Å; L1144-F1186 HydrophobicContact CD2-CZ 4.3Å; L1144-F1186 HydrophobicContact CG-CZ 4.37Å |
| 1145 | K | 89.6 | Confident | 89.6 | Confident | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.3 | -77.3 | 168.9 | 178.7 | 178.8 | 0 | 111.8 | K1141 E1142 F1147 I1148 S1149 F1186 | K1141-K1145 HydrophobicContact CG-CD 4.45Å; K1141-K1145 WeakPolarHBondContact O-CB 3.34Å; K1141-K1145 WeakPolarHBondContact O-CD 3.35Å; K1141-K1145 WeakPolarHBondContact O-CG 3.43Å; K1141-K1145 PolarHBondContact O-N 3.09Å; E1142-K1145 PolarHBondContact O-N 2.95Å; K1145-F1147 VanDerWaalsContact C-N 3.33Å; K1145-F1147 PolarHBondContact O-N 2.87Å; K1145-I1148 PolarHBondContact O-N 2.79Å; K1145-S1149 WeakPolarHBondContact O-CB 3.49Å; K1145-S1149 PolarHBondContact O-N 2.76Å; K1145-S1149 PolarHBondContact O-OG 2.86Å; K1145-F1186 HydrophobicContact CD-CD2 4.47Å; K1145-F1186 HydrophobicContact CG-CD2 3.82Å; K1145-F1186 HydrophobicContact CG-CE2 3.72Å; K1145-F1186 HydrophobicContact CG-CZ 4.43Å |
| 1146 | K | 92.2 | Very high | 89.9 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 35% | 0.352 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 176.4 | -179 | -173.3 | 176.2 | -163.3 | 0 | 110.7 | D1088 D1090 E1142 C1143 S1149 R1150 | D1088-K1146 IonicContact OD2-NZ 3.63Å; D1088-K1146 PolarHBondContact OD2-NZ 3.17Å; D1090-K1146 WeakPolarHBondContact OD1-CE 3.47Å; D1090-K1146 IonicContact OD1-NZ 3.45Å; D1090-K1146 PolarHBondContact OD1-NZ 2.65Å; D1090-K1146 VanDerWaalsContact OD1-NZ 3.12Å; D1090-K1146 WeakPolarHBondContact OD2-CE 3.25Å; D1090-K1146 IonicContact OD2-NZ 2.65Å; D1090-K1146 PolarHBondContact OD2-NZ 3.02Å; E1142-K1146 WeakPolarHBondContact O-CB 3.35Å; E1142-K1146 PolarHBondContact O-N 2.88Å; C1143-K1146 PolarHBondContact O-N 3.25Å; K1146-S1149 PolarHBondContact O-N 2.81Å; K1146-S1149 PolarHBondContact O-OG 3.19Å; K1146-R1150 PolarHBondContact O-N 2.84Å |
| 1147 | F | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.1 | -169.4 | -95.3 | 0 | 0 | 0 | 113.8 | F1089 F1092 I1095 C1143 L1144 K1145 T1153 F1154 I1155 | F1089-F1147 HydrophobicContact CB-CB 3.98Å; F1089-F1147 HydrophobicContact CB-CD2 3.53Å; F1089-F1147 HydrophobicContact CB-CE2 4.29Å; F1089-F1147 HydrophobicContact CB-CG 3.96Å; F1089-F1147 HydrophobicContact CD2-CB 4.1Å; F1089-F1147 WeakPolarHBondContact O-CD2 3.46Å; F1092-F1147 HydrophobicContact CB-CE2 4.1Å; I1095-F1147 HydrophobicContact CB-CD1 4.44Å; I1095-F1147 HydrophobicContact CB-CE1 3.82Å; I1095-F1147 HydrophobicContact CB-CZ 4.19Å; I1095-F1147 HydrophobicContact CD1-CD1 3.71Å; I1095-F1147 HydrophobicContact CD1-CD2 4.13Å; I1095-F1147 HydrophobicContact CD1-CE1 3.77Å; I1095-F1147 HydrophobicContact CD1-CE2 4.18Å; I1095-F1147 HydrophobicContact CD1-CG 3.88Å; I1095-F1147 HydrophobicContact CD1-CZ 4.01Å; I1095-F1147 HydrophobicContact CG1-CD1 4.24Å; I1095-F1147 HydrophobicContact CG1-CE1 3.77Å; I1095-F1147 HydrophobicContact CG1-CE2 4.28Å; I1095-F1147 HydrophobicContact CG1-CZ 3.79Å; C1143-F1147 WeakPolarHBondContact O-CB 3.47Å; C1143-F1147 PolarHBondContact O-N 3.04Å; L1144-F1147 PolarHBondContact O-N 3.41Å; K1145-F1147 VanDerWaalsContact C-N 3.33Å; K1145-F1147 PolarHBondContact O-N 2.87Å; F1147-T1153 HydrophobicContact CD1-CG2 4.38Å; F1147-T1153 HydrophobicContact CD2-CG2 3.81Å; F1147-T1153 HydrophobicContact CE1-CG2 4.06Å; F1147-T1153 HydrophobicContact CE2-CG2 3.46Å; F1147-T1153 VanDerWaalsContact CE2-CG2 3.46Å; F1147-T1153 HydrophobicContact CG-CG2 4.28Å; F1147-T1153 HydrophobicContact CZ-CG2 3.6Å; F1147-T1153 PolarHBondContact O-OG1 3.38Å; F1147-F1154 WeakPolarHBondContact CE1-O 3.43Å; F1147-I1155 HydrophobicContact CD1-CD1 4.21Å; F1147-I1155 HydrophobicContact CD1-CG1 4.14Å; F1147-I1155 HydrophobicContact CE1-CG1 3.96Å |
| 1148 | I | 88.1 | Confident | 90.1 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 176.4 | -69.6 | 163.8 | 0 | 0 | 0 | 111.8 | L1144 K1145 R1150 I1155 I1170 F1184 F1186 R1318 | L1144-I1148 HydrophobicContact CD1-CD1 4.12Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.98Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.31Å; L1144-I1148 PolarHBondContact O-N 3.3Å; K1145-I1148 PolarHBondContact O-N 2.79Å; I1148-R1150 VanDerWaalsContact C-N 3.31Å; I1148-R1150 PolarHBondContact O-N 2.81Å; I1148-I1155 HydrophobicContact CD1-CD1 4.11Å; I1148-I1155 HydrophobicContact CG1-CD1 3.53Å; I1148-I1170 HydrophobicContact CD1-CD1 4.04Å; I1148-I1170 HydrophobicContact CD1-CG1 3.97Å; I1148-I1170 HydrophobicContact CD1-CG2 4.28Å; I1148-F1184 HydrophobicContact CG2-CD2 3.82Å; I1148-F1184 HydrophobicContact CG2-CE2 3.96Å; I1148-F1184 HydrophobicContact CG2-CG 4.33Å; I1148-F1186 HydrophobicContact CD1-CE2 3.98Å; I1148-F1186 HydrophobicContact CD1-CZ 3.67Å; I1148-R1318 PolarHBondContact O-NH1 2.83Å; I1148-R1318 PolarHBondContact O-NH2 3.19Å |
| 1149 | S | 88.7 | Confident | 90 | Very high | 95 Ų | 95 | 33.1 Ų | 33.1 | 66% | 0.664 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -73 | -20 | -177.2 | 72.8 | 0 | 0 | 0 | 0 | 114.4 | K1145 K1146 | K1145-S1149 WeakPolarHBondContact O-CB 3.49Å; K1145-S1149 PolarHBondContact O-N 2.76Å; K1145-S1149 PolarHBondContact O-OG 2.86Å; K1146-S1149 PolarHBondContact O-N 2.81Å; K1146-S1149 PolarHBondContact O-OG 3.19Å |
| 1150 | R | 89.7 | Confident | 89.7 | Confident | 44 Ų | 44 | 29.8 Ų | 29.8 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | trans | -65.4 | 134.4 | 170.2 | -82.7 | 173 | 58.2 | -167 | -6.3 | 110.1 | D1090 F1092 K1146 I1148 D1152 T1153 R1318 | D1090-R1150 PolarHBondContact O-NH1 2.99Å; F1092-R1150 PolarHBondContact O-NH1 3.18Å; F1092-R1150 PolarHBondContact O-NH2 3.04Å; K1146-R1150 PolarHBondContact O-N 2.84Å; I1148-R1150 VanDerWaalsContact C-N 3.31Å; I1148-R1150 PolarHBondContact O-N 2.81Å; R1150-D1152 VanDerWaalsContact C-N 3.31Å; R1150-D1152 WeakPolarHBondContact CB-OD1 3.32Å; R1150-D1152 IonicContact CZ-OD1 2.83Å; R1150-D1152 IonicContact CZ-OD2 3.58Å; R1150-D1152 IonicContact NE-OD1 2.69Å; R1150-D1152 PolarHBondContact NE-OD1 3.43Å; R1150-D1152 IonicContact NE-OD2 3.49Å; R1150-D1152 IonicContact NH2-OD1 2.7Å; R1150-D1152 PolarHBondContact NH2-OD1 2.81Å; R1150-D1152 IonicContact NH2-OD2 3.48Å; R1150-D1152 PolarHBondContact NH2-OD2 3.48Å; R1150-T1153 HydrophobicContact CB-CG2 3.71Å; R1150-T1153 HydrophobicContact CG-CG2 4.5Å; R1150-T1153 PolarHBondContact O-OG1 3Å; R1150-R1318 PolarHBondContact O-NH1 3.37Å | ||
| 1151 | P | 85.5 | Confident | 89.7 | Confident | 105 Ų | 105 | 29.8 Ų | 29.8 | 68% | 0.682 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.2 | 176.9 | 32.2 | -35.5 | 0 | 0 | 0 | 113.1 | R1318 | P1151-R1318 WeakPolarHBondContact O-CD 3.09Š|
| 1152 | D | 86.5 | Confident | 89.5 | Confident | 36 Ų | 36 | 28.5 Ų | 28.5 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.3 | -173.1 | 78.3 | -64.1 | 0 | 0 | 0 | 114.3 | R1093 R1150 | R1093-D1152 VanDerWaalsContact CD-OD2 3.29Å; R1093-D1152 WeakPolarHBondContact CD-OD2 3.48Å; R1093-D1152 IonicContact CZ-OD2 2.73Å; R1093-D1152 IonicContact NE-OD2 3.62Å; R1093-D1152 IonicContact NH1-OD2 3.77Å; R1093-D1152 PolarHBondContact NH1-OD2 3.5Å; R1150-D1152 VanDerWaalsContact C-N 3.31Å; R1150-D1152 WeakPolarHBondContact CB-OD1 3.32Å; R1150-D1152 IonicContact CZ-OD1 2.83Å; R1150-D1152 IonicContact CZ-OD2 3.58Å; R1150-D1152 IonicContact NE-OD1 2.69Å; R1150-D1152 PolarHBondContact NE-OD1 3.43Å; R1150-D1152 IonicContact NE-OD2 3.49Å; R1150-D1152 IonicContact NH2-OD1 2.7Å; R1150-D1152 PolarHBondContact NH2-OD1 2.81Å; R1150-D1152 IonicContact NH2-OD2 3.48Å; R1150-D1152 PolarHBondContact NH2-OD2 3.48Å |
| 1153 | T | 91 | Very high | 88.9 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | trans | -113.2 | 153.2 | -174.2 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | R1093 F1147 R1150 R1318 | R1093-T1153 CarbonylContact O-C 3.59Å; R1093-T1153 VanDerWaalsContact O-CA 3.3Å; R1093-T1153 WeakPolarHBondContact O-CA 3.14Å; F1147-T1153 HydrophobicContact CD1-CG2 4.38Å; F1147-T1153 HydrophobicContact CD2-CG2 3.81Å; F1147-T1153 HydrophobicContact CE1-CG2 4.06Å; F1147-T1153 HydrophobicContact CE2-CG2 3.46Å; F1147-T1153 VanDerWaalsContact CE2-CG2 3.46Å; F1147-T1153 HydrophobicContact CG-CG2 4.28Å; F1147-T1153 HydrophobicContact CZ-CG2 3.6Å; F1147-T1153 PolarHBondContact O-OG1 3.38Å; R1150-T1153 HydrophobicContact CB-CG2 3.71Å; R1150-T1153 HydrophobicContact CG-CG2 4.5Å; R1150-T1153 PolarHBondContact O-OG1 3Å; T1153-R1318 WeakPolarHBondContact O-CD 3.23Å; T1153-R1318 PolarHBondContact O-NH1 3.38Å; T1153-R1318 PolarHBondContact OG1-NH1 3.26Å; T1153-R1318 VanDerWaalsContact OG1-NH1 3.16Å | ||
| 1154 | F | 91.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.7 | 168.4 | 76.9 | -96.1 | 0 | 0 | 0 | 113.5 | V1049 F1072 R1093 G1094 I1095 V1096 F1147 L1221 F1222 R1318 A1358 W1361 C1362 | V1049-F1154 HydrophobicContact CG2-CE1 4.08Å; V1049-F1154 HydrophobicContact CG2-CZ 3.84Å; F1072-F1154 HydrophobicContact CE1-CE1 4.24Å; F1072-F1154 HydrophobicContact CE1-CZ 4.44Å; F1072-F1154 AromaticContact CZ-CE1 4Å; F1072-F1154 HydrophobicContact CZ-CE1 4Å; F1072-F1154 AromaticContact CZ-CZ 3.95Å; F1072-F1154 HydrophobicContact CZ-CZ 3.95Å; R1093-F1154 VanDerWaalsContact O-CD1 3.28Å; R1093-F1154 WeakPolarHBondContact O-CD1 3.35Å; R1093-F1154 PolarHBondContact O-N 2.55Å; G1094-F1154 VanDerWaalsContact CA-CE1 3.46Å; G1094-F1154 WeakPolarHBondContact CA-O 3.31Å; I1095-F1154 PolarHBondContact N-O 3.42Å; V1096-F1154 HydrophobicContact CG2-CE2 4.49Å; F1147-F1154 WeakPolarHBondContact CE1-O 3.43Å; F1154-L1221 HydrophobicContact CB-CD1 3.96Å; F1154-L1221 HydrophobicContact CB-CD2 3.63Å; F1154-L1221 HydrophobicContact CB-CG 4.46Å; F1154-L1221 HydrophobicContact CD1-CD1 4.32Å; F1154-L1221 HydrophobicContact CG-CD1 4.2Å; F1154-L1221 HydrophobicContact CG-CD2 4.37Å; F1154-F1222 HydrophobicContact CD2-CE2 4.3Å; F1154-F1222 AromaticContact CD2-CZ 3.75Å; F1154-F1222 HydrophobicContact CD2-CZ 3.75Å; F1154-F1222 AromaticContact CE2-CZ 3.95Å; F1154-F1222 HydrophobicContact CE2-CZ 3.95Å; F1154-R1318 CarbonylContact C-O 3.46Å; F1154-R1318 VanDerWaalsContact CA-O 3.28Å; F1154-R1318 WeakPolarHBondContact CA-O 3.26Å; F1154-R1318 WeakPolarHBondContact CB-O 3.35Å; F1154-A1358 HydrophobicContact CE1-CB 4.38Å; F1154-A1358 HydrophobicContact CZ-CB 4.23Å; F1154-W1361 HydrophobicContact CB-CZ3 4.36Å; F1154-W1361 HydrophobicContact CD1-CZ3 4.43Å; F1154-C1362 VanDerWaalsContact CD1-SG 3.58Å; F1154-C1362 VanDerWaalsContact CE1-SG 3.52Å |
| 1155 | I | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.7 | 170 | -58.1 | -176.1 | 0 | 0 | 0 | 109.9 | I1095 F1097 L1144 F1147 I1148 M1165 R1318 C1319 L1320 | I1095-I1155 HydrophobicContact CB-CG1 4.46Å; I1095-I1155 HydrophobicContact CG2-CG2 4.44Å; I1095-I1155 WeakPolarHBondContact O-CA 3.47Å; F1097-I1155 HydrophobicContact CD2-CG2 3.92Å; F1097-I1155 HydrophobicContact CE2-CG2 3.73Å; L1144-I1155 HydrophobicContact CD1-CD1 4.15Å; F1147-I1155 HydrophobicContact CD1-CD1 4.21Å; F1147-I1155 HydrophobicContact CD1-CG1 4.14Å; F1147-I1155 HydrophobicContact CE1-CG1 3.96Å; I1148-I1155 HydrophobicContact CD1-CD1 4.11Å; I1148-I1155 HydrophobicContact CG1-CD1 3.53Å; I1155-M1165 HydrophobicContact CB-CE 4.22Å; I1155-M1165 HydrophobicContact CG2-CE 3.71Å; I1155-M1165 HydrophobicContact CG2-CG 4.41Å; I1155-M1165 HydrophobicContact CG2-SD 3.7Å; I1155-R1318 PolarHBondContact N-O 3.13Å; I1155-C1319 HydrophobicContact CB-CB 4.41Å; I1155-C1319 CarbonylContact O-C 3.56Å; I1155-C1319 WeakPolarHBondContact O-CA 3.4Å; I1155-L1320 PolarHBondContact O-N 3.17Å |
| 1156 | L | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.1 | 168.2 | 179 | 65 | 0 | 0 | 0 | 110 | M1063 I1095 V1096 F1097 V1158 F1222 L1320 F1354 F1355 | M1063-L1156 HydrophobicContact CE-CD2 4.18Å; M1063-L1156 HydrophobicContact SD-CD2 4.38Å; I1095-L1156 PolarHBondContact O-N 2.81Å; V1096-L1156 CarbonylContact C-O 3.48Å; V1096-L1156 VanDerWaalsContact CA-O 3.27Å; V1096-L1156 WeakPolarHBondContact CA-O 3.16Å; V1096-L1156 HydrophobicContact CB-CB 4.49Å; V1096-L1156 HydrophobicContact CG1-CB 4.1Å; V1096-L1156 HydrophobicContact CG1-CD2 4.07Å; V1096-L1156 HydrophobicContact CG1-CG 4.17Å; V1096-L1156 HydrophobicContact CG2-CB 4.06Å; V1096-L1156 HydrophobicContact CG2-CD2 4.47Å; F1097-L1156 PolarHBondContact N-O 3.08Å; L1156-V1158 HydrophobicContact CD1-CG2 4.33Å; L1156-V1158 HydrophobicContact CD2-CG2 4.27Å; L1156-V1158 HydrophobicContact CG-CG2 4.11Å; L1156-F1222 HydrophobicContact CB-CZ 3.95Å; L1156-F1222 HydrophobicContact CD1-CE1 4.38Å; L1156-F1222 HydrophobicContact CD1-CZ 4.14Å; L1156-F1222 HydrophobicContact CD2-CE1 4.35Å; L1156-F1222 HydrophobicContact CD2-CZ 4.46Å; L1156-F1222 HydrophobicContact CG-CZ 4.41Å; L1156-L1320 CarbonylContact C-O 3.21Å; L1156-L1320 WeakPolarHBondContact CA-O 3.49Å; L1156-L1320 HydrophobicContact CD1-CB 4.36Å; L1156-L1320 HydrophobicContact CD1-CG 4.33Å; L1156-F1354 HydrophobicContact CD1-CE1 3.96Å; L1156-F1354 HydrophobicContact CD1-CZ 3.79Å; L1156-F1354 HydrophobicContact CD2-CE1 3.96Å; L1156-F1355 HydrophobicContact CD2-CD1 4.46Å; L1156-F1355 HydrophobicContact CD2-CE1 3.96Å |
| 1157 | G | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1097 M1165 L1320 A1321 L1322 | F1097-G1157 WeakPolarHBondContact O-CA 3.17Å; G1157-M1165 WeakPolarHBondContact CA-SD 3.45Å; G1157-M1165 PolarHBondContact N-SD 2.92Å; G1157-L1320 PolarHBondContact N-O 3.2Å; G1157-A1321 CarbonylContact O-C 3.55Å; G1157-A1321 WeakPolarHBondContact O-CA 3.37Å; G1157-L1322 PolarHBondContact O-N 3.12Å |
| 1158 | V | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.5 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | M1063 F1097 P1098 G1099 L1156 N1160 G1161 L1322 P1324 E1327 | M1063-V1158 HydrophobicContact CE-CB 4.22Å; M1063-V1158 HydrophobicContact CE-CG2 3.61Å; F1097-V1158 PolarHBondContact O-N 3.06Å; P1098-V1158 CarbonylContact C-O 3.36Å; G1099-V1158 VanDerWaalsContact CA-O 3.31Å; G1099-V1158 WeakPolarHBondContact CA-O 3.31Å; G1099-V1158 PolarHBondContact N-O 2.84Å; L1156-V1158 HydrophobicContact CD1-CG2 4.33Å; L1156-V1158 HydrophobicContact CD2-CG2 4.27Å; L1156-V1158 HydrophobicContact CG-CG2 4.11Å; V1158-N1160 PolarHBondContact O-N 3.02Å; V1158-G1161 PolarHBondContact O-N 3.12Å; V1158-L1322 CarbonylContact C-O 3.47Å; V1158-L1322 WeakPolarHBondContact CA-O 3.35Å; V1158-P1324 WeakPolarHBondContact CG1-O 3.37Å; V1158-E1327 WeakPolarHBondContact CG1-OE1 3.17Å |
| 1159 | C | 86.2 | Confident | 85.8 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | -100.3 | -177 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | G1161 C1162 Q1163 L1322 M1323 H1325 | C1159-G1161 VanDerWaalsContact C-N 3.31Å; C1159-G1161 PolarHBondContact O-N 3.06Å; C1159-C1162 WeakPolarHBondContact O-CA 3.48Å; C1159-C1162 VanDerWaalsContact O-CB 3.28Å; C1159-C1162 WeakPolarHBondContact O-CB 3.47Å; C1159-C1162 PolarHBondContact O-N 3.29Å; C1159-Q1163 WeakPolarHBondContact O-CG 3.4Å; C1159-Q1163 PolarHBondContact O-N 2.91Å; C1159-L1322 PolarHBondContact N-O 2.64Å; C1159-M1323 HydrophobicContact CB-CE 4.12Å; C1159-H1325 WeakPolarHBondContact CB-NE2 3.46Å |
| 1160 | N | 85.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 178 | -153.3 | -136.1 | 0 | 0 | 0 | 111.9 | G1100 S1102 D1105 V1158 C1162 Q1163 L1164 | G1100-N1160 WeakPolarHBondContact O-CB 3.34Å; S1102-N1160 VanDerWaalsContact CB-OD1 3.25Å; S1102-N1160 WeakPolarHBondContact CB-OD1 3.36Å; S1102-N1160 PolarHBondContact N-OD1 2.98Å; S1102-N1160 PolarHBondContact OG-OD1 3.15Å; D1105-N1160 PolarHBondContact OD1-ND2 3.35Å; V1158-N1160 PolarHBondContact O-N 3.02Å; N1160-C1162 VanDerWaalsContact C-N 3.34Å; N1160-C1162 PolarHBondContact O-N 3.33Å; N1160-Q1163 PolarHBondContact ND2-OE1 3.14Å; N1160-Q1163 PolarHBondContact O-N 3.45Å; N1160-L1164 WeakPolarHBondContact O-CB 3.37Å; N1160-L1164 PolarHBondContact O-N 3.25Å |
| 1161 | G | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.7 | -28.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1098 V1158 C1159 M1165 | P1098-G1161 PolarHBondContact O-N 3.21Å; V1158-G1161 PolarHBondContact O-N 3.12Å; C1159-G1161 VanDerWaalsContact C-N 3.31Å; C1159-G1161 PolarHBondContact O-N 3.06Å; G1161-M1165 WeakPolarHBondContact O-CG 3.28Å; G1161-M1165 PolarHBondContact O-N 2.93Å |
| 1162 | C | 84.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -70.2 | -45.6 | 172.6 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | C1159 N1160 L1164 M1165 A1166 F1196 A1321 L1322 M1323 | C1159-C1162 WeakPolarHBondContact O-CA 3.48Å; C1159-C1162 VanDerWaalsContact O-CB 3.28Å; C1159-C1162 WeakPolarHBondContact O-CB 3.47Å; C1159-C1162 PolarHBondContact O-N 3.29Å; N1160-C1162 VanDerWaalsContact C-N 3.34Å; N1160-C1162 PolarHBondContact O-N 3.33Å; C1162-L1164 VanDerWaalsContact C-N 3.29Å; C1162-L1164 PolarHBondContact O-N 2.75Å; C1162-M1165 PolarHBondContact O-N 2.92Å; C1162-A1166 PolarHBondContact O-N 3.36Å; C1162-F1196 VanDerWaalsContact SG-CZ 3.55Å; C1162-A1321 HydrophobicContact CB-CB 4Å; C1162-L1322 WeakPolarHBondContact CB-O 3.38Å; C1162-M1323 HydrophobicContact CB-SD 4.11Å |
| 1163 | Q | 78.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 4 Ų | 4 | 1% | 0.005 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62.2 | -36.6 | 174 | -54.4 | 160.6 | -20.3 | 0 | 0 | 111.7 | P1127 C1159 N1160 T1167 F1196 L1263 M1323 | P1127-Q1163 HydrophobicContact CG-CB 3.7Å; C1159-Q1163 WeakPolarHBondContact O-CG 3.4Å; C1159-Q1163 PolarHBondContact O-N 2.91Å; N1160-Q1163 PolarHBondContact ND2-OE1 3.14Å; N1160-Q1163 PolarHBondContact O-N 3.45Å; Q1163-T1167 WeakPolarHBondContact O-CB 3.1Å; Q1163-T1167 PolarHBondContact O-N 3.47Å; Q1163-T1167 PolarHBondContact O-OG1 2.68Å; Q1163-F1196 HydrophobicContact CB-CD2 4Å; Q1163-F1196 HydrophobicContact CB-CE2 4.2Å; Q1163-F1196 HydrophobicContact CG-CB 4.34Å; Q1163-F1196 HydrophobicContact CG-CD1 4.42Å; Q1163-F1196 HydrophobicContact CG-CD2 3.82Å; Q1163-F1196 HydrophobicContact CG-CE2 4.25Å; Q1163-F1196 HydrophobicContact CG-CG 3.92Å; Q1163-L1263 PolarHBondContact NE2-O 3.26Å; Q1163-M1323 HydrophobicContact CG-SD 3.98Å |
| 1164 | L | 85.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.1 | -52.5 | 173.8 | 177.6 | 71.7 | 0 | 0 | 0 | 111.6 | F1097 P1127 W1130 A1131 I1134 N1160 C1162 A1166 T1167 L1168 | F1097-L1164 HydrophobicContact CB-CD2 4.16Å; F1097-L1164 HydrophobicContact CD1-CD2 3.59Å; F1097-L1164 HydrophobicContact CD2-CD2 4.11Å; F1097-L1164 HydrophobicContact CE1-CD2 3.9Å; F1097-L1164 HydrophobicContact CE2-CD2 4.38Å; F1097-L1164 HydrophobicContact CG-CD2 3.7Å; F1097-L1164 HydrophobicContact CZ-CD2 4.29Å; P1127-L1164 HydrophobicContact CG-CB 4.18Å; W1130-L1164 HydrophobicContact CB-CD1 4.04Å; W1130-L1164 HydrophobicContact CD2-CD1 4.06Å; W1130-L1164 HydrophobicContact CD2-CD2 3.69Å; W1130-L1164 HydrophobicContact CD2-CG 4.36Å; W1130-L1164 HydrophobicContact CE3-CB 4.41Å; W1130-L1164 HydrophobicContact CE3-CD1 4.49Å; W1130-L1164 HydrophobicContact CE3-CD2 3.98Å; W1130-L1164 HydrophobicContact CG-CD1 3.83Å; W1130-L1164 HydrophobicContact CG-CD2 4.24Å; W1130-L1164 HydrophobicContact CH2-CD2 4.06Å; W1130-L1164 HydrophobicContact CZ2-CD2 3.79Å; W1130-L1164 HydrophobicContact CZ3-CD2 4.15Å; A1131-L1164 HydrophobicContact CB-CD1 3.89Å; I1134-L1164 HydrophobicContact CD1-CD1 4.38Å; I1134-L1164 HydrophobicContact CD1-CD2 4.36Å; N1160-L1164 WeakPolarHBondContact O-CB 3.37Å; N1160-L1164 PolarHBondContact O-N 3.25Å; C1162-L1164 VanDerWaalsContact C-N 3.29Å; C1162-L1164 PolarHBondContact O-N 2.75Å; L1164-A1166 VanDerWaalsContact C-N 3.25Å; L1164-A1166 PolarHBondContact O-N 3.07Å; L1164-T1167 PolarHBondContact O-N 3.36Å; L1164-T1167 VanDerWaalsContact O-N 3.07Å; L1164-L1168 HydrophobicContact CD1-CD1 3.96Å; L1164-L1168 HydrophobicContact CD1-CG 4.19Å; L1164-L1168 HydrophobicContact CD2-CD1 4.44Å; L1164-L1168 HydrophobicContact CG-CD1 3.86Å; L1164-L1168 HydrophobicContact CG-CG 4.38Å; L1164-L1168 WeakPolarHBondContact O-CB 3.31Å; L1164-L1168 WeakPolarHBondContact O-CG 3.3Å; L1164-L1168 PolarHBondContact O-N 3.04Å |
| 1165 | M | 85.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59 | -36.5 | -178.8 | -75.4 | 174.4 | 68.7 | 0 | 0 | 112.7 | F1097 I1155 G1157 G1161 C1162 G1169 I1170 I1171 C1319 A1321 | F1097-M1165 HydrophobicContact CD2-CG 3.94Å; F1097-M1165 HydrophobicContact CD2-SD 4.29Å; F1097-M1165 HydrophobicContact CE2-CG 4.26Å; I1155-M1165 HydrophobicContact CB-CE 4.22Å; I1155-M1165 HydrophobicContact CG2-CE 3.71Å; I1155-M1165 HydrophobicContact CG2-CG 4.41Å; I1155-M1165 HydrophobicContact CG2-SD 3.7Å; G1157-M1165 WeakPolarHBondContact CA-SD 3.45Å; G1157-M1165 PolarHBondContact N-SD 2.92Å; G1161-M1165 WeakPolarHBondContact O-CG 3.28Å; G1161-M1165 PolarHBondContact O-N 2.93Å; C1162-M1165 PolarHBondContact O-N 2.92Å; M1165-G1169 PolarHBondContact O-N 3.36Å; M1165-I1170 HydrophobicContact CB-CB 4.24Å; M1165-I1170 HydrophobicContact CE-CG2 3.87Å; M1165-I1170 HydrophobicContact CG-CD1 4.34Å; M1165-I1170 WeakPolarHBondContact O-CB 3.44Å; M1165-I1170 PolarHBondContact O-N 3.42Å; M1165-I1171 HydrophobicContact CB-CG1 4.22Å; M1165-I1171 HydrophobicContact CE-CG2 4.15Å; M1165-C1319 HydrophobicContact CE-CB 3.77Å; M1165-A1321 HydrophobicContact CB-CB 4.35Å; M1165-A1321 HydrophobicContact CE-CB 4.32Å; M1165-A1321 HydrophobicContact SD-CB 4.16Å |
| 1166 | A | 77 | Confident | 76.1 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 7% | 0.066 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.3 | -46.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1162 L1164 L1168 G1169 I1171 F1194 F1196 | C1162-A1166 PolarHBondContact O-N 3.36Å; L1164-A1166 VanDerWaalsContact C-N 3.25Å; L1164-A1166 PolarHBondContact O-N 3.07Å; A1166-L1168 PolarHBondContact O-N 3.48Å; A1166-G1169 PolarHBondContact O-N 3.41Å; A1166-I1171 HydrophobicContact CB-CD1 4.14Å; A1166-I1171 HydrophobicContact CB-CG1 4.34Å; A1166-F1194 HydrophobicContact CB-CB 3.94Å; A1166-F1196 HydrophobicContact CB-CE2 3.6Å; A1166-F1196 HydrophobicContact CB-CZ 4.28Å |
| 1167 | T | 76 | Confident | 73.2 | Confident | 29 Ų | 29 | 21 Ų | 21 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.1 | -33.4 | 178.2 | -50.6 | 0 | 0 | 0 | 0 | 112 | W61 A1131 Q1163 L1164 | W61-T1167 HydrophobicContact CH2-CG2 4.06Å; W61-T1167 HydrophobicContact CZ2-CG2 4.25Å; A1131-T1167 HydrophobicContact CB-CG2 3.46Å; A1131-T1167 VanDerWaalsContact CB-CG2 3.46Å; Q1163-T1167 WeakPolarHBondContact O-CB 3.1Å; Q1163-T1167 PolarHBondContact O-N 3.47Å; Q1163-T1167 PolarHBondContact O-OG1 2.68Å; L1164-T1167 PolarHBondContact O-N 3.36Å; L1164-T1167 VanDerWaalsContact O-N 3.07Å |
| 1168 | L | 81 | Confident | 70.2 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.3 | 175.5 | -67.5 | 177.8 | 0 | 0 | 0 | 114.1 | A1131 I1134 M1135 L1144 L1164 A1166 I1170 F1186 | A1131-L1168 HydrophobicContact CB-CD2 4.07Å; A1131-L1168 HydrophobicContact CB-CG 4.41Å; I1134-L1168 HydrophobicContact CB-CD2 4.35Å; I1134-L1168 HydrophobicContact CD1-CD1 3.95Å; I1134-L1168 HydrophobicContact CG2-CD1 4.49Å; I1134-L1168 HydrophobicContact CG2-CD2 4.2Å; M1135-L1168 HydrophobicContact CG-CD2 3.57Å; M1135-L1168 HydrophobicContact SD-CD2 4.1Å; L1144-L1168 HydrophobicContact CD2-CD1 3.95Å; L1164-L1168 HydrophobicContact CD1-CD1 3.96Å; L1164-L1168 HydrophobicContact CD1-CG 4.19Å; L1164-L1168 HydrophobicContact CD2-CD1 4.44Å; L1164-L1168 HydrophobicContact CG-CD1 3.86Å; L1164-L1168 HydrophobicContact CG-CG 4.38Å; L1164-L1168 WeakPolarHBondContact O-CB 3.31Å; L1164-L1168 WeakPolarHBondContact O-CG 3.3Å; L1164-L1168 PolarHBondContact O-N 3.04Å; A1166-L1168 PolarHBondContact O-N 3.48Å; L1168-I1170 HydrophobicContact CB-CD1 3.9Å; L1168-I1170 HydrophobicContact CB-CG1 3.88Å; L1168-I1170 HydrophobicContact CD1-CD1 3.81Å; L1168-F1186 HydrophobicContact CB-CE1 4.06Å; L1168-F1186 WeakPolarHBondContact O-CD1 3.47Å |
| 1169 | G | 75.8 | Confident | 67.3 | Low | 14 Ų | 14 | 39.4 Ų | 39.4 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 19.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1165 A1166 I1171 | M1165-G1169 PolarHBondContact O-N 3.36Å; A1166-G1169 PolarHBondContact O-N 3.41Å; G1169-I1171 VanDerWaalsContact C-N 3.26Å; G1169-I1171 PolarHBondContact O-N 3.17Å |
| 1170 | I | 80.9 | Confident | 64.4 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -73.2 | -22 | 177.7 | -58.2 | 172.8 | 0 | 0 | 0 | 111.2 | L1144 I1148 M1165 L1168 F1184 F1186 C1319 | L1144-I1170 HydrophobicContact CD2-CD1 4.13Å; I1148-I1170 HydrophobicContact CD1-CD1 4.04Å; I1148-I1170 HydrophobicContact CD1-CG1 3.97Å; I1148-I1170 HydrophobicContact CD1-CG2 4.28Å; M1165-I1170 HydrophobicContact CB-CB 4.24Å; M1165-I1170 HydrophobicContact CE-CG2 3.87Å; M1165-I1170 HydrophobicContact CG-CD1 4.34Å; M1165-I1170 WeakPolarHBondContact O-CB 3.44Å; M1165-I1170 PolarHBondContact O-N 3.42Å; L1168-I1170 HydrophobicContact CB-CD1 3.9Å; L1168-I1170 HydrophobicContact CB-CG1 3.88Å; L1168-I1170 HydrophobicContact CD1-CD1 3.81Å; I1170-F1184 VanDerWaalsContact O-CE1 3.32Å; I1170-F1184 WeakPolarHBondContact O-CE1 3.26Å; I1170-F1186 HydrophobicContact CD1-CZ 4.4Å; I1170-F1186 HydrophobicContact CG1-CE1 4.3Å; I1170-F1186 HydrophobicContact CG1-CZ 3.99Å; I1170-C1319 HydrophobicContact CG2-CB 3.9Å |
| 1171 | I | 75.6 | Confident | 61.6 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -129.6 | 151 | 170.9 | 50.4 | 138.9 | 0 | 0 | 0 | 111 | M1165 A1166 G1169 A1173 I1312 A1321 | M1165-I1171 HydrophobicContact CB-CG1 4.22Å; M1165-I1171 HydrophobicContact CE-CG2 4.15Å; A1166-I1171 HydrophobicContact CB-CD1 4.14Å; A1166-I1171 HydrophobicContact CB-CG1 4.34Å; G1169-I1171 VanDerWaalsContact C-N 3.26Å; G1169-I1171 PolarHBondContact O-N 3.17Å; I1171-A1173 PolarHBondContact O-N 2.99Å; I1171-I1312 HydrophobicContact CB-CG2 4.18Å; I1171-I1312 HydrophobicContact CD1-CB 4.02Å; I1171-I1312 HydrophobicContact CD1-CG2 4.13Å; I1171-A1321 HydrophobicContact CD1-CB 3.6Å; I1171-A1321 HydrophobicContact CG1-CB 4.1Å; I1171-A1321 HydrophobicContact CG2-CB 4.35Å |
| 1172 | G | 63.3 | Low | 58.7 | Low | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 78.9 | -24.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y1174 F1194 | G1172-Y1174 PolarHBondContact N-OH 2.73Å; G1172-Y1174 WeakPolarHBondContact O-CD2 3.27Å; G1172-Y1174 PolarHBondContact O-N 3.19Å; G1172-F1194 VanDerWaalsContact CA-CZ 3.46Å; G1172-F1194 WeakPolarHBondContact O-CE2 3.43Å; G1172-F1194 WeakPolarHBondContact O-CZ 3.17Å |
| 1173 | A | 59.7 | Low | 56.1 | Low | 19 Ų | 19 | 56.3 Ų | 56.3 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | trans | -72 | 67.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1171 | I1171-A1173 PolarHBondContact O-N 2.99Š| ||
| 1174 | Y | 57.9 | Low | 53.8 | Low | 27 Ų | 27 | 59.3 Ų | 59.3 | 11% | 0.106 | 36% | 0.361 | C | S | . | . | trans | -100.2 | 141.6 | -178.8 | -47.3 | -44.3 | 0 | 0 | 0 | 110.8 | G1172 L1182 S1192 V1276 L1277 L1282 C1313 P1315 | G1172-Y1174 PolarHBondContact N-OH 2.73Å; G1172-Y1174 WeakPolarHBondContact O-CD2 3.27Å; G1172-Y1174 PolarHBondContact O-N 3.19Å; Y1174-L1182 HydrophobicContact CD1-CD1 4.2Å; Y1174-L1182 HydrophobicContact CD1-CD2 4.35Å; Y1174-S1192 PolarHBondContact O-OG 3.08Å; Y1174-V1276 HydrophobicContact CD2-CG1 4Å; Y1174-L1277 HydrophobicContact CE2-CD2 3.77Å; Y1174-L1282 HydrophobicContact CD2-CD1 4.26Å; Y1174-L1282 HydrophobicContact CE2-CD1 3.49Å; Y1174-L1282 VanDerWaalsContact CE2-CD1 3.49Å; Y1174-C1313 PolarHBondContact OH-O 2.99Å; Y1174-P1315 HydrophobicContact CD1-CG 4.17Å; Y1174-P1315 HydrophobicContact CE1-CG 3.61Å | ||
| 1175 | G | 47.5 | Very low | 51.3 | Low | 51 Ų | 51 | 62.8 Ų | 62.8 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | trans | -132.9 | 154.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | D1177 | G1175-D1177 VanDerWaalsContact C-N 3.35Å; G1175-D1177 PolarHBondContact O-N 2.72Å | ||
| 1176 | T | 36.1 | Very low | 48.7 | Very low | 136 Ų | 136 | 63.8 Ų | 63.8 | 83% | 0.834 | 39% | 0.387 | S | S | * | . | trans | -89.3 | 9.2 | -169 | 52.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1177 | D | 33 | Very low | 46.6 | Very low | 146 Ų | 146 | 66.5 Ų | 66.5 | 78% | 0.781 | 41% | 0.409 | S | S | * | . | trans | -101.2 | 105.5 | -166.5 | -67.4 | -16.3 | 0 | 0 | 0 | 112.7 | G1175 | G1175-D1177 VanDerWaalsContact C-N 3.35Å; G1175-D1177 PolarHBondContact O-N 2.72Å | ||
| 1178 | Q | 27.9 | Very low | 44.5 | Very low | 190 Ų | 190 | 67.5 Ų | 67.5 | 89% | 0.888 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 78.4 | 162.9 | 167.6 | -54.1 | -168.3 | -1.7 | 0 | 0 | 118.2 | G1180 | Q1178-G1180 PolarHBondContact O-N 3.25Š|
| 1179 | E | 26.4 | Very low | 42.1 | Very low | 195 Ų | 195 | 74 Ų | 74 | 91% | 0.911 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -73 | 121.9 | -154.7 | -60.5 | 175 | 131.4 | 0 | 0 | 113.7 | A1181 | E1179-A1181 VanDerWaalsContact C-N 3.29Å; E1179-A1181 PolarHBondContact O-N 3.29Å |
| 1180 | G | 27.1 | Very low | 40 | Very low | 91 Ų | 91 | 75.9 Ų | 75.9 | 94% | 0.938 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 74.3 | -8.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | Q1178 | Q1178-G1180 PolarHBondContact O-N 3.25Š|
| 1181 | A | 24.8 | Very low | 37.8 | Very low | 73 Ų | 73 | 84.7 Ų | 84.7 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | trans | -124.7 | 84.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1179 T1183 | E1179-A1181 VanDerWaalsContact C-N 3.29Å; E1179-A1181 PolarHBondContact O-N 3.29Å; A1181-T1183 PolarHBondContact O-N 3.36Å | ||
| 1182 | L | 30.2 | Very low | 35.8 | Very low | 87 Ų | 87 | 85.6 Ų | 85.6 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | trans | -67.7 | 104.8 | 174.1 | -78.1 | 167.4 | 0 | 0 | 0 | 110.8 | Y1174 P1315 | Y1174-L1182 HydrophobicContact CD1-CD1 4.2Å; Y1174-L1182 HydrophobicContact CD1-CD2 4.35Å; L1182-P1315 HydrophobicContact CD1-CB 4.05Å; L1182-P1315 HydrophobicContact CD1-CG 3.51Å | ||
| 1183 | T | 28.4 | Very low | 34.5 | Very low | 107 Ų | 107 | 89.6 Ų | 89.6 | 66% | 0.656 | 52% | 0.524 | S | S | * | . | trans | -91.4 | 116.4 | -175 | 27.3 | 0 | 0 | 0 | 0 | 111.8 | A1181 T1185 | A1181-T1183 PolarHBondContact O-N 3.36Å; T1183-T1185 PolarHBondContact O-N 2.92Å; T1183-T1185 PolarHBondContact O-OG1 3.12Å | ||
| 1184 | F | 30.8 | Very low | 33.6 | Very low | 65 Ų | 65 | 89.2 Ų | 89.2 | 29% | 0.285 | 52% | 0.519 | S | S | . | . | trans | -63.1 | 95.4 | 177.3 | -64.6 | -77.6 | 0 | 0 | 0 | 111.8 | I1148 I1170 F1186 | I1148-F1184 HydrophobicContact CG2-CD2 3.82Å; I1148-F1184 HydrophobicContact CG2-CE2 3.96Å; I1148-F1184 HydrophobicContact CG2-CG 4.33Å; I1170-F1184 VanDerWaalsContact O-CE1 3.32Å; I1170-F1184 WeakPolarHBondContact O-CE1 3.26Å; F1184-F1186 PolarHBondContact O-N 2.92Å | ||
| 1185 | T | 31.8 | Very low | 32.7 | Very low | 72 Ų | 72 | 88.5 Ų | 88.5 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | trans | -92.3 | 87.1 | -174.2 | 29.4 | 0 | 0 | 0 | 0 | 112 | T1183 A1187 N1190 | T1183-T1185 PolarHBondContact O-N 2.92Å; T1183-T1185 PolarHBondContact O-OG1 3.12Å; T1185-A1187 PolarHBondContact O-N 3.02Å; T1185-N1190 PolarHBondContact OG1-ND2 2.66Å; T1185-N1190 VanDerWaalsContact OG1-ND2 3.15Å | ||
| 1186 | F | 31.4 | Very low | 32.2 | Very low | 22 Ų | 22 | 86.1 Ų | 86.1 | 10% | 0.096 | 49% | 0.492 | C | S | . | . | trans | -65.2 | 59.2 | 170.5 | -74.7 | -93.2 | 0 | 0 | 0 | 113.1 | M1135 L1144 K1145 I1148 L1168 I1170 F1184 | M1135-F1186 HydrophobicContact CE-CB 4.44Å; M1135-F1186 HydrophobicContact SD-CB 4.34Å; M1135-F1186 HydrophobicContact SD-CD1 3.73Å; L1144-F1186 HydrophobicContact CD2-CE1 4.3Å; L1144-F1186 HydrophobicContact CD2-CZ 4.3Å; L1144-F1186 HydrophobicContact CG-CZ 4.37Å; K1145-F1186 HydrophobicContact CD-CD2 4.47Å; K1145-F1186 HydrophobicContact CG-CD2 3.82Å; K1145-F1186 HydrophobicContact CG-CE2 3.72Å; K1145-F1186 HydrophobicContact CG-CZ 4.43Å; I1148-F1186 HydrophobicContact CD1-CE2 3.98Å; I1148-F1186 HydrophobicContact CD1-CZ 3.67Å; L1168-F1186 HydrophobicContact CB-CE1 4.06Å; L1168-F1186 WeakPolarHBondContact O-CD1 3.47Å; I1170-F1186 HydrophobicContact CD1-CZ 4.4Å; I1170-F1186 HydrophobicContact CG1-CE1 4.3Å; I1170-F1186 HydrophobicContact CG1-CZ 3.99Å; F1184-F1186 PolarHBondContact O-N 2.92Å | ||
| 1187 | A | 34.1 | Very low | 32.6 | Very low | 65 Ų | 65 | 80.1 Ų | 80.1 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -162.1 | 117.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116 | T1185 N1189 | T1185-A1187 PolarHBondContact O-N 3.02Å; A1187-N1189 PolarHBondContact O-N 3.09Å |
| 1188 | A | 30.2 | Very low | 33 | Very low | 50 Ų | 50 | 73.7 Ų | 73.7 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 54.4 | -47.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | R64 | R64-A1188 PolarHBondContact NH1-O 3.32Š|
| 1189 | N | 31 | Very low | 33.7 | Very low | 140 Ų | 140 | 66.4 Ų | 66.4 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | trans | -121.2 | -1.7 | -150.2 | -91.8 | -8.1 | 0 | 0 | 0 | 117.7 | A1187 | A1187-N1189 PolarHBondContact O-N 3.09Š| ||
| 1190 | N | 31.2 | Very low | 34.7 | Very low | 54 Ų | 54 | 57.1 Ų | 57.1 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -69.2 | 142 | 177.8 | -76.3 | -16 | 0 | 0 | 0 | 112.1 | T1185 S1192 H1193 | T1185-N1190 PolarHBondContact OG1-ND2 2.66Å; T1185-N1190 VanDerWaalsContact OG1-ND2 3.15Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-H1193 PolarHBondContact O-NE2 2.82Å | ||
| 1191 | K | 35.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 53.4 Ų | 53.4 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -77.8 | -13 | 178.5 | -67 | 177.9 | -178.2 | 171.6 | 0 | 113.2 | S1269 | K1191-S1269 VanDerWaalsContact O-CB 3.26Å; K1191-S1269 WeakPolarHBondContact O-CB 3.5Å; K1191-S1269 PolarHBondContact O-OG 3.05Å |
| 1192 | S | 33.6 | Very low | 36.7 | Very low | 20 Ų | 20 | 53.3 Ų | 53.3 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | trans | -95.5 | 91.5 | 179.3 | 29.5 | 0 | 0 | 0 | 0 | 110.4 | Y1174 N1190 S1269 | Y1174-S1192 PolarHBondContact O-OG 3.08Å; N1190-S1192 VanDerWaalsContact C-N 3.29Å; S1192-S1269 WeakPolarHBondContact CA-OG 3.22Å | ||
| 1193 | H | 36.4 | Very low | 37.6 | Very low | 86 Ų | 86 | 50.5 Ų | 50.5 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | trans | -110.8 | 140 | 178.2 | -79.4 | -46.7 | 0 | 0 | 0 | 111.7 | R64 N1190 I1195 S1269 | R64-H1193 PolarHBondContact NH1-NE2 2.82Å; N1190-H1193 PolarHBondContact O-NE2 2.82Å; H1193-I1195 HydrophobicContact CB-CD1 3.91Å; H1193-I1195 HydrophobicContact CB-CG1 4.37Å; H1193-S1269 PolarHBondContact N-OG 2.89Å; H1193-S1269 VanDerWaalsContact N-OG 3.12Å | ||
| 1194 | F | 40.8 | Very low | 38.5 | Very low | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.7 | -176.6 | -67.7 | -89.7 | 0 | 0 | 0 | 109.8 | A1166 G1172 F1268 L1277 I1312 | A1166-F1194 HydrophobicContact CB-CB 3.94Å; G1172-F1194 VanDerWaalsContact CA-CZ 3.46Å; G1172-F1194 WeakPolarHBondContact O-CE2 3.43Å; G1172-F1194 WeakPolarHBondContact O-CZ 3.17Å; F1194-F1268 HydrophobicContact CD1-CD1 4.14Å; F1194-F1268 HydrophobicContact CD1-CE1 4.07Å; F1194-F1268 AromaticContact CE1-CD1 3.6Å; F1194-F1268 HydrophobicContact CE1-CD1 3.6Å; F1194-F1268 AromaticContact CE1-CE1 3.64Å; F1194-F1268 HydrophobicContact CE1-CE1 3.64Å; F1194-F1268 HydrophobicContact CZ-CD1 4.43Å; F1194-L1277 HydrophobicContact CE1-CD1 3.79Å; F1194-L1277 HydrophobicContact CZ-CD1 4.34Å; F1194-I1312 HydrophobicContact CD1-CD1 4.2Å; F1194-I1312 HydrophobicContact CE1-CD1 4.28Å |
| 1195 | I | 38.4 | Very low | 39.3 | Very low | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 112 | -153.8 | -78.4 | 164.8 | 0 | 0 | 0 | 107.3 | P1124 H1193 Q1197 N1267 | P1124-I1195 HydrophobicContact CB-CG2 3.23Å; P1124-I1195 HydrophobicContact CG-CG2 3.27Å; H1193-I1195 HydrophobicContact CB-CD1 3.91Å; H1193-I1195 HydrophobicContact CB-CG1 4.37Å; I1195-Q1197 HydrophobicContact CG2-CG 4.48Å; I1195-N1267 HydrophobicContact CB-CB 4.45Å; I1195-N1267 HydrophobicContact CG2-CB 4.34Å; I1195-N1267 PolarHBondContact N-O 3.44Å; I1195-N1267 VanDerWaalsContact N-O 3.08Å; I1195-N1267 WeakPolarHBondContact O-CA 3.47Å; I1195-N1267 WeakPolarHBondContact O-CB 3.15Å; I1195-N1267 PolarHBondContact O-N 3.37Å |
| 1196 | F | 37 | Very low | 40.1 | Very low | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.9 | -172.6 | -70.9 | -89.5 | 0 | 0 | 0 | 111.8 | P1124 V1125 L1126 C1162 Q1163 A1166 R1265 F1266 M1323 | P1124-F1196 CarbonylContact C-O 3.56Å; P1124-F1196 WeakPolarHBondContact CA-O 3.24Å; P1124-F1196 WeakPolarHBondContact CB-O 3.41Å; V1125-F1196 PolarHBondContact N-O 2.57Å; L1126-F1196 HydrophobicContact CD2-CD2 4.12Å; C1162-F1196 VanDerWaalsContact SG-CZ 3.55Å; Q1163-F1196 HydrophobicContact CB-CD2 4Å; Q1163-F1196 HydrophobicContact CB-CE2 4.2Å; Q1163-F1196 HydrophobicContact CG-CB 4.34Å; Q1163-F1196 HydrophobicContact CG-CD1 4.42Å; Q1163-F1196 HydrophobicContact CG-CD2 3.82Å; Q1163-F1196 HydrophobicContact CG-CE2 4.25Å; Q1163-F1196 HydrophobicContact CG-CG 3.92Å; A1166-F1196 HydrophobicContact CB-CE2 3.6Å; A1166-F1196 HydrophobicContact CB-CZ 4.28Å; F1196-R1265 CarbonylContact C-O 3.29Å; F1196-R1265 WeakPolarHBondContact CA-O 3.19Å; F1196-F1266 AromaticContact CE1-CD1 3.7Å; F1196-F1266 HydrophobicContact CE1-CD1 3.7Å; F1196-F1266 AromaticContact CE1-CD2 3.97Å; F1196-F1266 HydrophobicContact CE1-CD2 3.97Å; F1196-F1266 AromaticContact CE1-CE1 3.5Å; F1196-F1266 HydrophobicContact CE1-CE1 3.5Å; F1196-F1266 AromaticContact CE1-CE2 3.79Å; F1196-F1266 HydrophobicContact CE1-CE2 3.79Å; F1196-F1266 AromaticContact CE1-CG 3.95Å; F1196-F1266 HydrophobicContact CE1-CG 3.95Å; F1196-F1266 AromaticContact CE1-CZ 3.56Å; F1196-F1266 HydrophobicContact CE1-CZ 3.56Å; F1196-F1266 AromaticContact CZ-CD1 3.87Å; F1196-F1266 HydrophobicContact CZ-CD1 3.87Å; F1196-F1266 AromaticContact CZ-CE1 3.51Å; F1196-F1266 HydrophobicContact CZ-CE1 3.51Å; F1196-F1266 AromaticContact CZ-CZ 3.91Å; F1196-F1266 HydrophobicContact CZ-CZ 3.91Å; F1196-M1323 HydrophobicContact CD1-CG 3.99Å; F1196-M1323 HydrophobicContact CD1-SD 3.8Å; F1196-M1323 HydrophobicContact CE1-CG 3.69Å; F1196-M1323 HydrophobicContact CE1-SD 3.72Å; F1196-M1323 HydrophobicContact CZ-SD 4.49Å |
| 1197 | Q | 45.7 | Very low | 40.8 | Very low | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 164.2 | -171.4 | -66.2 | -170.2 | -11.9 | 0 | 0 | 115.4 | F1122 L1123 P1124 I1195 G1264 R1265 N1267 | F1122-Q1197 PolarHBondContact O-NE2 2.95Å; L1123-Q1197 WeakPolarHBondContact O-CA 3.36Å; L1123-Q1197 VanDerWaalsContact O-CB 3.3Å; L1123-Q1197 WeakPolarHBondContact O-CB 3.4Å; L1123-Q1197 WeakPolarHBondContact O-CG 3.2Å; P1124-Q1197 HydrophobicContact CB-CG 3.7Å; P1124-Q1197 HydrophobicContact CG-CG 3.94Å; I1195-Q1197 HydrophobicContact CG2-CG 4.48Å; Q1197-G1264 PolarHBondContact O-N 2.85Å; Q1197-R1265 HydrophobicContact CB-CB 3.84Å; Q1197-R1265 HydrophobicContact CB-CG 3.77Å; Q1197-R1265 PolarHBondContact N-O 3.38Å; Q1197-R1265 WeakPolarHBondContact O-CB 3.06Å; Q1197-R1265 PolarHBondContact O-N 2.87Å; Q1197-N1267 HydrophobicContact CG-CB 3.9Å; Q1197-N1267 PolarHBondContact NE2-ND2 3.27Å; Q1197-N1267 PolarHBondContact OE1-OD1 2.97Å |
| 1198 | L | 41.4 | Very low | 41.5 | Very low | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | trans | -111.1 | 102.5 | 163.5 | -77.4 | 170.2 | 0 | 0 | 0 | 109.5 | L1123 V1125 H1200 R1202 L1263 | L1123-L1198 PolarHBondContact O-N 3.26Å; V1125-L1198 HydrophobicContact CG2-CD1 4.34Å; V1125-L1198 HydrophobicContact CG2-CG 4.4Å; L1198-H1200 VanDerWaalsContact C-N 3.25Å; L1198-H1200 PolarHBondContact O-N 3.25Å; L1198-R1202 WeakPolarHBondContact CD2-O 3.33Å; L1198-L1263 HydrophobicContact CD1-CD2 3.75Å; L1198-L1263 HydrophobicContact CD2-CD2 3.87Å; L1198-L1263 HydrophobicContact CG-CD2 3.88Å | ||
| 1199 | E | 41.8 | Very low | 42.4 | Very low | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -70.4 | -25.5 | 170.4 | -176.6 | 167.5 | -114.2 | 0 | 0 | 112.2 | N1023 R1265 N1303 G1304 | N1023-E1199 PolarHBondContact ND2-O 3.31Å; E1199-R1265 IonicContact OE1-CZ 3.25Å; E1199-R1265 IonicContact OE1-NH1 2.66Å; E1199-R1265 PolarHBondContact OE1-NH1 3.04Å; E1199-R1265 IonicContact OE2-NH1 2.98Å; E1199-N1303 WeakPolarHBondContact CB-O 3.4Å; E1199-G1304 WeakPolarHBondContact OE2-CA 3.46Å |
| 1200 | H | 46.6 | Very low | 43.1 | Very low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -100.1 | 0.2 | -170.8 | -40.5 | -40.6 | 0 | 0 | 0 | 114 | C1022 N1023 C1026 L1198 R1202 Y1298 P1302 N1303 | C1022-H1200 WeakPolarHBondContact CB-O 3.46Å; N1023-H1200 PolarHBondContact N-O 3.23Å; C1026-H1200 WeakPolarHBondContact CB-ND1 3.37Å; C1026-H1200 PolarHBondContact SG-ND1 3.48Å; L1198-H1200 VanDerWaalsContact C-N 3.25Å; L1198-H1200 PolarHBondContact O-N 3.25Å; H1200-R1202 PolarHBondContact O-N 2.92Å; H1200-R1202 VanDerWaalsContact O-N 3.16Å; H1200-Y1298 AromaticContact CD2-CD2 3.69Å; H1200-Y1298 AromaticContact CD2-CE2 3.5Å; H1200-Y1298 VanDerWaalsContact CD2-CE2 3.5Å; H1200-Y1298 WeakPolarHBondContact CD2-CE2 3.2Å; H1200-Y1298 AromaticContact CE1-CD2 3.33Å; H1200-Y1298 WeakPolarHBondContact CE1-CD2 3.47Å; H1200-Y1298 AromaticContact CE1-CE2 3.93Å; H1200-Y1298 AromaticContact CE1-CG 3.87Å; H1200-Y1298 AromaticContact NE2-CD2 3.11Å; H1200-Y1298 WeakPolarHBondContact NE2-CD2 3.44Å; H1200-Y1298 AromaticContact NE2-CE2 3.45Å; H1200-Y1298 WeakPolarHBondContact NE2-CE2 3.3Å; H1200-P1302 PolarHBondContact CD2-O 3.39Å; H1200-P1302 VanDerWaalsContact CD2-O 3.26Å; H1200-P1302 VanDerWaalsContact NE2-C 3.35Å; H1200-P1302 PolarHBondContact NE2-O 2.88Å; H1200-N1303 WeakPolarHBondContact NE2-CA 3.36Å |
| 1201 | G | 43.8 | Very low | 44.1 | Very low | 12 Ų | 12 | 30 Ų | 30 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 74.6 | -11.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1202 | R | 51.6 | Low | 44.7 | Very low | 72 Ų | 72 | 23.4 Ų | 23.4 | 27% | 0.272 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -144.7 | 159.7 | -179.6 | -66.8 | -168.6 | 179.3 | -178.2 | -5 | 113.2 | E384 N387 Q1021 L1198 H1200 T1262 | E384-R1202 IonicContact OE1-NH2 3.97Å; E384-R1202 PolarHBondContact OE1-NH2 2.95Å; N387-R1202 VanDerWaalsContact ND2-CZ 3.3Å; N387-R1202 PolarHBondContact ND2-NH1 3.06Å; N387-R1202 PolarHBondContact ND2-NH2 3.26Å; N387-R1202 VanDerWaalsContact ND2-NH2 3.1Å; N387-R1202 PolarHBondContact OD1-NH1 3Å; Q1021-R1202 WeakPolarHBondContact O-CD 3.41Å; Q1021-R1202 PolarHBondContact O-NE 2.74Å; Q1021-R1202 PolarHBondContact O-NH1 2.65Å; L1198-R1202 WeakPolarHBondContact CD2-O 3.33Å; H1200-R1202 PolarHBondContact O-N 2.92Å; H1200-R1202 VanDerWaalsContact O-N 3.16Å; R1202-T1262 PolarHBondContact O-OG1 3.2Å |
| 1203 | W | 48.2 | Very low | 45.2 | Very low | 27 Ų | 27 | 23.4 Ų | 23.4 | 10% | 0.102 | 12% | 0.115 | C | C | . | . | trans | -63.6 | 135.7 | 170.4 | -166.8 | 105.2 | 0 | 0 | 0 | 111 | N394 K678 D680 F1101 S1205 N1261 T1262 | N394-W1203 WeakPolarHBondContact ND2-CZ3 3.24Å; K678-W1203 WeakPolarHBondContact O-CZ3 3.27Å; D680-W1203 HydrophobicContact CB-CH2 3.71Å; D680-W1203 HydrophobicContact CB-CZ2 4.17Å; D680-W1203 VanDerWaalsContact N-CH2 3.31Å; F1101-W1203 AromaticContact CE1-CD1 3.91Å; F1101-W1203 AromaticContact CZ-CD1 3.52Å; F1101-W1203 HydrophobicContact CZ-CG 4.43Å; F1101-W1203 AromaticContact CZ-NE1 3.31Å; F1101-W1203 VanDerWaalsContact CZ-NE1 3.31Å; W1203-S1205 VanDerWaalsContact CZ3-CB 3.48Å; W1203-N1261 HydrophobicContact CZ2-CB 4.12Å; W1203-N1261 WeakPolarHBondContact CZ2-OD1 3.32Å; W1203-T1262 VanDerWaalsContact CA-OG1 3.29Å; W1203-T1262 WeakPolarHBondContact CA-OG1 3.17Å | ||
| 1204 | K | 47.4 | Very low | 45.6 | Very low | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | trans | -138.8 | 166.4 | 165.1 | -60.3 | -178.9 | 171.9 | -174.2 | 0 | 110.3 | N677 E1018 E1030 F1206 T1262 Y1298 | N677-K1204 HydrophobicContact CB-CD 4.15Å; N677-K1204 HydrophobicContact CB-CG 4.31Å; N677-K1204 CarbonylContact O-C 3.56Å; N677-K1204 WeakPolarHBondContact O-CA 3.43Å; N677-K1204 VanDerWaalsContact O-CB 3.3Å; N677-K1204 WeakPolarHBondContact O-CB 3.28Å; E1018-K1204 WeakPolarHBondContact OE1-CE 3.32Å; E1018-K1204 IonicContact OE1-NZ 2.89Å; E1018-K1204 PolarHBondContact OE1-NZ 2.82Å; E1030-K1204 IonicContact OE2-NZ 2.66Å; E1030-K1204 PolarHBondContact OE2-NZ 2.82Å; K1204-F1206 HydrophobicContact CB-CD2 4.1Å; K1204-F1206 HydrophobicContact CB-CE2 3.55Å; K1204-F1206 HydrophobicContact CB-CZ 4.3Å; K1204-F1206 HydrophobicContact CD-CE2 3.58Å; K1204-F1206 HydrophobicContact CD-CZ 3.83Å; K1204-F1206 HydrophobicContact CG-CE2 4.21Å; K1204-T1262 HydrophobicContact CB-CG2 3.63Å; K1204-T1262 PolarHBondContact N-OG1 3.24Å; K1204-T1262 WeakPolarHBondContact O-CG2 3.25Å; K1204-T1262 PolarHBondContact O-N 3.19Å; K1204-T1262 VanDerWaalsContact O-N 3.17Å; K1204-Y1298 WeakPolarHBondContact CD-OH 3.22Å; K1204-Y1298 WeakPolarHBondContact CE-OH 3.46Å; K1204-Y1298 PolarHBondContact NZ-OH 2.87Å | ||
| 1205 | S | 46.9 | Very low | 45.7 | Very low | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.5 | 173.6 | 129.7 | 0 | 0 | 0 | 0 | 110.8 | N677 V679 R681 W1203 N1259 I1260 | N677-S1205 PolarHBondContact O-N 2.8Å; V679-S1205 WeakPolarHBondContact O-CB 3.26Å; V679-S1205 PolarHBondContact O-OG 3.26Å; R681-S1205 PolarHBondContact NH1-O 2.83Å; R681-S1205 PolarHBondContact NH1-OG 2.67Å; R681-S1205 PolarHBondContact NH2-O 2.84Å; W1203-S1205 VanDerWaalsContact CZ3-CB 3.48Å; S1205-N1259 PolarHBondContact OG-ND2 2.79Å; S1205-N1259 PolarHBondContact OG-OD1 2.64Å; S1205-I1260 WeakPolarHBondContact CA-O 3.31Å |
| 1206 | F | 48.5 | Very low | 45.7 | Very low | 19 Ų | 19 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.7 | -178.4 | -71.5 | -72.2 | 0 | 0 | 0 | 112.9 | N677 K1204 T1208 L1258 N1259 I1260 T1262 Y1298 P1299 P1302 | N677-F1206 HydrophobicContact CB-CZ 4.39Å; N677-F1206 WeakPolarHBondContact OD1-CE1 3.49Å; K1204-F1206 HydrophobicContact CB-CD2 4.1Å; K1204-F1206 HydrophobicContact CB-CE2 3.55Å; K1204-F1206 HydrophobicContact CB-CZ 4.3Å; K1204-F1206 HydrophobicContact CD-CE2 3.58Å; K1204-F1206 HydrophobicContact CD-CZ 3.83Å; K1204-F1206 HydrophobicContact CG-CE2 4.21Å; F1206-T1208 HydrophobicContact CB-CG2 3.59Å; F1206-T1208 PolarHBondContact O-N 3.25Å; F1206-L1258 VanDerWaalsContact O-O 3.08Å; F1206-N1259 PolarHBondContact N-OD1 2.84Å; F1206-N1259 VanDerWaalsContact N-OD1 3.13Å; F1206-N1259 WeakPolarHBondContact O-CA 3.37Å; F1206-N1259 PolarHBondContact O-OD1 3.05Å; F1206-N1259 VanDerWaalsContact O-OD1 3.06Å; F1206-I1260 PolarHBondContact N-O 3.15Å; F1206-I1260 PolarHBondContact O-N 2.98Å; F1206-T1262 HydrophobicContact CD2-CG2 4.42Å; F1206-Y1298 AromaticContact CE2-CE2 3.77Å; F1206-Y1298 HydrophobicContact CE2-CE2 3.77Å; F1206-Y1298 AromaticContact CE2-CZ 3.87Å; F1206-Y1298 VanDerWaalsContact CE2-OH 3.27Å; F1206-Y1298 WeakPolarHBondContact CE2-OH 3.44Å; F1206-Y1298 HydrophobicContact CZ-CE2 4.27Å; F1206-Y1298 AromaticContact CZ-CZ 3.92Å; F1206-Y1298 WeakPolarHBondContact CZ-OH 3.37Å; F1206-P1299 HydrophobicContact CD1-CB 4Å; F1206-P1299 HydrophobicContact CD2-CB 4.18Å; F1206-P1299 HydrophobicContact CE1-CB 3.88Å; F1206-P1299 HydrophobicContact CE1-CG 4.22Å; F1206-P1299 HydrophobicContact CE2-CB 4.04Å; F1206-P1299 HydrophobicContact CG-CB 4.16Å; F1206-P1299 HydrophobicContact CZ-CB 3.91Å; F1206-P1302 HydrophobicContact CB-CB 4.07Å; F1206-P1302 HydrophobicContact CD2-CB 3.77Å; F1206-P1302 HydrophobicContact CG-CB 4.3Å |
| 1207 | W | 47.1 | Very low | 45.8 | Very low | 14 Ų | 14 | 35.5 Ų | 35.5 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 103.1 | 166 | -76.5 | 77 | 0 | 0 | 0 | 108.8 | H697 P1257 L1258 N1259 C1329 Q1334 W1335 P1336 | H697-W1207 VanDerWaalsContact CE1-CB 3.48Å; H697-W1207 WeakPolarHBondContact CE1-CB 3.46Å; W1207-P1257 HydrophobicContact CB-CB 4.22Å; W1207-P1257 HydrophobicContact CE3-CB 4.03Å; W1207-P1257 HydrophobicContact CE3-CG 4.05Å; W1207-L1258 CarbonylContact C-O 3.41Å; W1207-L1258 VanDerWaalsContact CA-O 3.25Å; W1207-L1258 WeakPolarHBondContact CA-O 3.15Å; W1207-N1259 HydrophobicContact CD2-CB 4.09Å; W1207-N1259 HydrophobicContact CG-CB 4.33Å; W1207-N1259 HydrophobicContact CZ2-CB 4.09Å; W1207-C1329 HydrophobicContact CH2-CB 3.45Å; W1207-C1329 VanDerWaalsContact CH2-CB 3.45Å; W1207-C1329 HydrophobicContact CZ3-CB 3.56Å; W1207-Q1334 WeakPolarHBondContact CH2-O 3.39Å; W1207-Q1334 VanDerWaalsContact CZ2-O 3.27Å; W1207-Q1334 WeakPolarHBondContact CZ2-O 3.16Å; W1207-W1335 HydrophobicContact CH2-CG 4.41Å; W1207-W1335 HydrophobicContact CZ3-CB 4.23Å; W1207-W1335 AromaticContact CZ3-CD1 3.73Å; W1207-W1335 AromaticContact CZ3-CG 3.87Å; W1207-W1335 HydrophobicContact CZ3-CG 3.87Å; W1207-P1336 HydrophobicContact CD2-CG 3.88Å; W1207-P1336 VanDerWaalsContact CE2-CD 3.49Å; W1207-P1336 HydrophobicContact CE3-CG 4.47Å; W1207-P1336 HydrophobicContact CG-CG 3.97Å; W1207-P1336 HydrophobicContact CZ2-CG 4.48Å |
| 1208 | T | 48.7 | Very low | 45.6 | Very low | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.4 | -171.5 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | F1206 P1257 L1258 I1260 P1299 P1302 | F1206-T1208 HydrophobicContact CB-CG2 3.59Å; F1206-T1208 PolarHBondContact O-N 3.25Å; T1208-P1257 CarbonylContact O-C 3.54Å; T1208-P1257 VanDerWaalsContact O-CA 3.24Å; T1208-P1257 WeakPolarHBondContact O-CA 3.45Å; T1208-L1258 PolarHBondContact N-O 2.86Å; T1208-L1258 PolarHBondContact O-N 2.66Å; T1208-I1260 WeakPolarHBondContact OG1-CD1 2.96Å; T1208-P1299 WeakPolarHBondContact CG2-O 3.28Å; T1208-P1302 HydrophobicContact CG2-CB 4.12Å; T1208-P1302 HydrophobicContact CG2-CG 3.97Å |
| 1209 | A | 49.1 | Very low | 45.8 | Very low | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 135.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1288 | A1209-V1288 HydrophobicContact CB-CG2 3.66Å; A1209-V1288 PolarHBondContact O-N 2.96Å; A1209-V1288 VanDerWaalsContact O-N 3.14Å |
| 1210 | T | 46 | Very low | 46.4 | Very low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 176.7 | 169.1 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | N1255 L1258 I1285 R1286 Y1287 A1310 | T1210-N1255 WeakPolarHBondContact O-CB 3.34Å; T1210-N1255 PolarHBondContact O-ND2 3Å; T1210-L1258 HydrophobicContact CG2-CD1 3.71Å; T1210-L1258 WeakPolarHBondContact OG1-CD1 3.31Å; T1210-I1285 HydrophobicContact CG2-CG2 3.95Å; T1210-R1286 CarbonylContact C-O 3.37Å; T1210-R1286 VanDerWaalsContact C-O 3.29Å; T1210-R1286 WeakPolarHBondContact CA-O 3.42Å; T1210-R1286 VanDerWaalsContact CB-O 3.28Å; T1210-R1286 WeakPolarHBondContact CB-O 3.27Å; T1210-Y1287 HydrophobicContact CG2-CD1 3.95Å; T1210-Y1287 HydrophobicContact CG2-CE1 4.18Å; T1210-A1310 HydrophobicContact CG2-CB 4.48Å |
| 1211 | R | 51.8 | Low | 46.7 | Very low | 86 Ų | 86 | 48 Ų | 48 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.5 | 163.8 | 74.4 | 179.1 | -162.6 | -174 | 9.9 | 112.4 | N1255 I1285 R1286 V1288 N1292 | R1211-N1255 WeakPolarHBondContact CA-ND2 3.48Å; R1211-I1285 WeakPolarHBondContact O-CA 3.41Å; R1211-R1286 PolarHBondContact N-O 2.92Å; R1211-R1286 PolarHBondContact O-N 2.68Å; R1211-V1288 HydrophobicContact CB-CG1 3.87Å; R1211-V1288 HydrophobicContact CG-CG1 3.55Å; R1211-N1292 WeakPolarHBondContact CD-O 3.42Å; R1211-N1292 PolarHBondContact NH1-O 3.4Å |
| 1212 | P | 47.2 | Very low | 47 | Very low | 46 Ų | 46 | 47.9 Ų | 47.9 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 144 | 158.7 | -24 | 34.2 | 0 | 0 | 0 | 111.9 | V1223 N1255 P1284 | P1212-V1223 HydrophobicContact CB-CG1 4.17Å; P1212-N1255 WeakPolarHBondContact CD-OD1 3.32Å; P1212-P1284 CarbonylContact C-O 3.6Å; P1212-P1284 VanDerWaalsContact CA-O 3.27Å; P1212-P1284 WeakPolarHBondContact CA-O 3.36Å |
| 1213 | A | 45.9 | Very low | 47 | Very low | 20 Ų | 20 | 45.6 Ų | 45.6 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 163.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1215 I1283 P1284 | A1213-L1215 PolarHBondContact O-N 2.93Å; A1213-I1283 WeakPolarHBondContact CB-O 3.46Å; A1213-P1284 PolarHBondContact N-O 2.89Å |
| 1214 | V | 43.8 | Very low | 46.7 | Very low | 111 Ų | 111 | 45.3 Ų | 45.3 | 67% | 0.673 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -75.2 | 116.8 | 165.4 | -179.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 1215 | L | 42.9 | Very low | 46.2 | Very low | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 158.2 | -179.9 | -63.2 | 170.1 | 0 | 0 | 0 | 110.7 | A1213 F1219 V1223 H1281 P1284 | A1213-L1215 PolarHBondContact O-N 2.93Å; L1215-F1219 HydrophobicContact CB-CB 3.86Å; L1215-F1219 HydrophobicContact CB-CG 4.11Å; L1215-F1219 HydrophobicContact CD1-CB 3.98Å; L1215-F1219 HydrophobicContact CD1-CD1 3.7Å; L1215-F1219 HydrophobicContact CD1-CE1 4.4Å; L1215-F1219 HydrophobicContact CD1-CG 4.03Å; L1215-F1219 HydrophobicContact CG-CD1 4.5Å; L1215-V1223 HydrophobicContact CD1-CB 3.73Å; L1215-V1223 HydrophobicContact CD1-CG1 3.79Å; L1215-H1281 WeakPolarHBondContact CD2-O 3.29Å; L1215-P1284 HydrophobicContact CD1-CB 4.19Å; L1215-P1284 HydrophobicContact CD2-CB 4.15Å |
| 1216 | N | 38.3 | Very low | 45.6 | Very low | 86 Ų | 86 | 54.6 Ų | 54.6 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 151 | 171 | -93.3 | -48.4 | 0 | 0 | 0 | 111.6 | D1218 F1219 | N1216-D1218 PolarHBondContact O-N 3.04Å; N1216-F1219 PolarHBondContact O-N 3.29Å; N1216-F1219 VanDerWaalsContact O-N 3.12Å |
| 1217 | H | 40.1 | Very low | 45 | Very low | 157 Ų | 157 | 55.6 Ų | 55.6 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.5 | -159.7 | -98.3 | -63.9 | 0 | 0 | 0 | 116.2 | ||
| 1218 | D | 41.7 | Very low | 44.3 | Very low | 149 Ų | 149 | 57.4 Ų | 57.4 | 80% | 0.797 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.6 | -175.9 | -56.4 | -59.9 | 0 | 0 | 0 | 114.4 | N1216 R1220 | N1216-D1218 PolarHBondContact O-N 3.04Å; D1218-R1220 PolarHBondContact O-N 2.95Å; D1218-R1220 VanDerWaalsContact O-N 3.13Å |
| 1219 | F | 45.8 | Very low | 43.3 | Very low | 27 Ų | 27 | 65.5 Ų | 65.5 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | trans | -66.5 | 113.1 | 174.1 | -98 | -107.8 | 0 | 0 | 0 | 111.3 | L1215 N1216 C1313 G1317 | L1215-F1219 HydrophobicContact CB-CB 3.86Å; L1215-F1219 HydrophobicContact CB-CG 4.11Å; L1215-F1219 HydrophobicContact CD1-CB 3.98Å; L1215-F1219 HydrophobicContact CD1-CD1 3.7Å; L1215-F1219 HydrophobicContact CD1-CE1 4.4Å; L1215-F1219 HydrophobicContact CD1-CG 4.03Å; L1215-F1219 HydrophobicContact CG-CD1 4.5Å; N1216-F1219 PolarHBondContact O-N 3.29Å; N1216-F1219 VanDerWaalsContact O-N 3.12Å; F1219-C1313 HydrophobicContact CE1-CB 3.96Å; F1219-C1313 HydrophobicContact CZ-CB 4.11Å; F1219-G1317 VanDerWaalsContact CE1-CA 3.4Å | ||
| 1220 | R | 52.9 | Low | 42.4 | Very low | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | trans | -126.3 | -24.4 | 174.5 | -65.1 | -171.8 | -176.7 | -169.5 | 2.3 | 115.2 | D1218 F1222 E1364 | D1218-R1220 PolarHBondContact O-N 2.95Å; D1218-R1220 VanDerWaalsContact O-N 3.13Å; R1220-F1222 PolarHBondContact O-N 3.47Å; R1220-E1364 IonicContact CZ-OE2 3.34Å; R1220-E1364 IonicContact NH1-OE2 2.68Å; R1220-E1364 PolarHBondContact NH1-OE2 2.97Å | ||
| 1221 | L | 53.1 | Low | 41.7 | Very low | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -54.8 | -58.4 | -165.9 | 177.1 | 71.7 | 0 | 0 | 0 | 113.6 | F1154 G1317 N1357 A1358 W1361 | F1154-L1221 HydrophobicContact CB-CD1 3.96Å; F1154-L1221 HydrophobicContact CB-CD2 3.63Å; F1154-L1221 HydrophobicContact CB-CG 4.46Å; F1154-L1221 HydrophobicContact CD1-CD1 4.32Å; F1154-L1221 HydrophobicContact CG-CD1 4.2Å; F1154-L1221 HydrophobicContact CG-CD2 4.37Å; L1221-G1317 VanDerWaalsContact CD2-O 3.27Å; L1221-G1317 WeakPolarHBondContact CD2-O 3.44Å; L1221-N1357 CarbonylContact O-C 3.57Å; L1221-N1357 WeakPolarHBondContact O-CB 3.28Å; L1221-A1358 HydrophobicContact CD1-CB 3.99Å; L1221-A1358 HydrophobicContact CG-CB 4.46Å; L1221-A1358 WeakPolarHBondContact O-CA 3.17Å; L1221-A1358 PolarHBondContact O-N 3.47Å; L1221-W1361 HydrophobicContact CB-CG 4.25Å; L1221-W1361 HydrophobicContact CD1-CB 3.82Å; L1221-W1361 HydrophobicContact CD1-CD2 3.45Å; L1221-W1361 VanDerWaalsContact CD1-CD2 3.45Å; L1221-W1361 HydrophobicContact CD1-CE3 3.39Å; L1221-W1361 HydrophobicContact CD1-CG 3.65Å; L1221-W1361 HydrophobicContact CD1-CZ3 4.15Å |
| 1222 | F | 51.3 | Low | 40.7 | Very low | 9 Ų | 9 | 69.3 Ų | 69.3 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -112.5 | -33.8 | -177.5 | -73.4 | -70.7 | 0 | 0 | 0 | 113.1 | F1154 L1156 R1220 L1320 F1354 N1357 A1358 | F1154-F1222 HydrophobicContact CD2-CE2 4.3Å; F1154-F1222 AromaticContact CD2-CZ 3.75Å; F1154-F1222 HydrophobicContact CD2-CZ 3.75Å; F1154-F1222 AromaticContact CE2-CZ 3.95Å; F1154-F1222 HydrophobicContact CE2-CZ 3.95Å; L1156-F1222 HydrophobicContact CB-CZ 3.95Å; L1156-F1222 HydrophobicContact CD1-CE1 4.38Å; L1156-F1222 HydrophobicContact CD1-CZ 4.14Å; L1156-F1222 HydrophobicContact CD2-CE1 4.35Å; L1156-F1222 HydrophobicContact CD2-CZ 4.46Å; L1156-F1222 HydrophobicContact CG-CZ 4.41Å; R1220-F1222 PolarHBondContact O-N 3.47Å; F1222-L1320 HydrophobicContact CB-CD2 3.63Å; F1222-L1320 HydrophobicContact CD1-CD2 4.39Å; F1222-L1320 HydrophobicContact CD2-CB 3.69Å; F1222-L1320 HydrophobicContact CD2-CD2 3.39Å; F1222-L1320 HydrophobicContact CD2-CG 4.18Å; F1222-L1320 HydrophobicContact CE2-CB 3.74Å; F1222-L1320 HydrophobicContact CE2-CD2 4.12Å; F1222-L1320 HydrophobicContact CG-CD2 3.56Å; F1222-F1354 HydrophobicContact CB-CD2 3.98Å; F1222-F1354 HydrophobicContact CB-CE2 3.65Å; F1222-F1354 HydrophobicContact CB-CZ 4.17Å; F1222-F1354 AromaticContact CD1-CD1 3.95Å; F1222-F1354 HydrophobicContact CD1-CD1 3.95Å; F1222-F1354 HydrophobicContact CD1-CD2 4.13Å; F1222-F1354 AromaticContact CD1-CE1 3.57Å; F1222-F1354 HydrophobicContact CD1-CE1 3.57Å; F1222-F1354 AromaticContact CD1-CE2 3.78Å; F1222-F1354 HydrophobicContact CD1-CE2 3.78Å; F1222-F1354 HydrophobicContact CD1-CG 4.21Å; F1222-F1354 AromaticContact CD1-CZ 3.47Å; F1222-F1354 HydrophobicContact CD1-CZ 3.47Å; F1222-F1354 VanDerWaalsContact CD1-CZ 3.47Å; F1222-F1354 HydrophobicContact CE1-CD1 4.37Å; F1222-F1354 AromaticContact CE1-CE1 3.79Å; F1222-F1354 HydrophobicContact CE1-CE1 3.79Å; F1222-F1354 AromaticContact CE1-CZ 3.96Å; F1222-F1354 HydrophobicContact CE1-CZ 3.96Å; F1222-F1354 HydrophobicContact CG-CD2 4.43Å; F1222-F1354 HydrophobicContact CG-CE1 4.42Å; F1222-F1354 AromaticContact CG-CE2 3.89Å; F1222-F1354 HydrophobicContact CG-CE2 3.89Å; F1222-F1354 AromaticContact CG-CZ 3.87Å; F1222-F1354 HydrophobicContact CG-CZ 3.87Å; F1222-N1357 PolarHBondContact O-ND2 2.88Å; F1222-A1358 HydrophobicContact CD1-CB 3.94Å; F1222-A1358 HydrophobicContact CE1-CB 3.54Å; F1222-A1358 HydrophobicContact CZ-CB 4.06Å |
| 1223 | V | 50.1 | Low | 39.7 | Very low | 24 Ų | 24 | 71.9 Ų | 71.9 | 15% | 0.145 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -126.4 | 120.1 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | P1212 L1215 P1284 | P1212-V1223 HydrophobicContact CB-CG1 4.17Å; L1215-V1223 HydrophobicContact CD1-CB 3.73Å; L1215-V1223 HydrophobicContact CD1-CG1 3.79Å; V1223-P1284 HydrophobicContact CG2-CB 4.45Å |
| 1224 | S | 43.1 | Very low | 38.9 | Very low | 21 Ų | 21 | 76.6 Ų | 76.6 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | trans | -119.1 | 132 | -173.6 | 162.4 | 0 | 0 | 0 | 0 | 111.5 | Q1226 V1227 | S1224-Q1226 PolarHBondContact O-N 3.47Å; S1224-Q1226 WeakPolarHBondContact OG-CB 3.43Å; S1224-Q1226 PolarHBondContact OG-N 3.44Å; S1224-V1227 WeakPolarHBondContact O-CB 3.34Å; S1224-V1227 PolarHBondContact O-N 3.43Å | ||
| 1225 | N | 36.8 | Very low | 38 | Very low | 48 Ų | 48 | 80 Ų | 80 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -16.9 | 171.4 | -87.2 | -58.1 | 0 | 0 | 0 | 113.4 | ||
| 1226 | Q | 33.4 | Very low | 37.2 | Very low | 151 Ų | 151 | 85.3 Ų | 85.3 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -29.3 | 175 | -150.8 | 174.1 | 18.3 | 0 | 0 | 112.1 | S1224 L1228 R1229 S1230 | S1224-Q1226 PolarHBondContact O-N 3.47Å; S1224-Q1226 WeakPolarHBondContact OG-CB 3.43Å; S1224-Q1226 PolarHBondContact OG-N 3.44Å; Q1226-L1228 VanDerWaalsContact C-N 3.31Å; Q1226-R1229 PolarHBondContact O-N 2.97Å; Q1226-S1230 PolarHBondContact O-N 3.16Å; Q1226-S1230 PolarHBondContact O-OG 3.33Å |
| 1227 | V | 36.7 | Very low | 36.5 | Very low | 39 Ų | 39 | 85.8 Ų | 85.8 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 171 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | S1224 R1229 S1230 F1231 | S1224-V1227 WeakPolarHBondContact O-CB 3.34Å; S1224-V1227 PolarHBondContact O-N 3.43Å; V1227-R1229 PolarHBondContact O-N 3.24Å; V1227-R1229 VanDerWaalsContact O-N 3.16Å; V1227-S1230 PolarHBondContact O-OG 2.98Å; V1227-F1231 HydrophobicContact CG1-CD2 4.33Å; V1227-F1231 HydrophobicContact CG1-CE2 3.65Å; V1227-F1231 HydrophobicContact CG1-CZ 4.49Å; V1227-F1231 WeakPolarHBondContact O-CD2 3.37Å |
| 1228 | L | 31.9 | Very low | 35.6 | Very low | 52 Ų | 52 | 85.3 Ų | 85.3 | 27% | 0.272 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.8 | -14.6 | 173.5 | -57.3 | 179.3 | 0 | 0 | 0 | 113.5 | Q1226 Q1253 | Q1226-L1228 VanDerWaalsContact C-N 3.31Å; L1228-Q1253 PolarHBondContact O-NE2 2.85Å |
| 1229 | R | 27.8 | Very low | 34.7 | Very low | 177 Ų | 177 | 84.1 Ų | 84.1 | 67% | 0.668 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -107.6 | -36.7 | -179.8 | -69.4 | -174.2 | -179.8 | -165.1 | 1.5 | 114.1 | Q1226 V1227 F1231 S1232 | Q1226-R1229 PolarHBondContact O-N 2.97Å; V1227-R1229 PolarHBondContact O-N 3.24Å; V1227-R1229 VanDerWaalsContact O-N 3.16Å; R1229-F1231 VanDerWaalsContact C-N 3.31Å; R1229-F1231 PolarHBondContact O-N 3.21Å; R1229-S1232 WeakPolarHBondContact O-CA 3.23Å; R1229-S1232 VanDerWaalsContact O-CB 3.25Å; R1229-S1232 WeakPolarHBondContact O-CB 3.44Å; R1229-S1232 PolarHBondContact O-N 3.36Å; R1229-S1232 PolarHBondContact O-OG 3.36Å |
| 1230 | S | 30.6 | Very low | 33.5 | Very low | 58 Ų | 58 | 94.4 Ų | 94.4 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | -175.5 | 57 | 0 | 0 | 0 | 0 | 112.8 | Q1226 V1227 S1232 D1233 T1234 | Q1226-S1230 PolarHBondContact O-N 3.16Å; Q1226-S1230 PolarHBondContact O-OG 3.33Å; V1227-S1230 PolarHBondContact O-OG 2.98Å; S1230-S1232 PolarHBondContact O-N 3.23Å; S1230-D1233 PolarHBondContact O-N 3.05Å; S1230-T1234 PolarHBondContact O-OG1 3.34Å |
| 1231 | F | 31.2 | Very low | 32.1 | Very low | 73 Ų | 73 | 91.7 Ų | 91.7 | 32% | 0.32 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -23.2 | 170.5 | -66.7 | -59.4 | 0 | 0 | 0 | 113.3 | S1039 V1227 R1229 D1233 W1235 L1353 | S1039-F1231 WeakPolarHBondContact OG-CZ 3.47Å; V1227-F1231 HydrophobicContact CG1-CD2 4.33Å; V1227-F1231 HydrophobicContact CG1-CE2 3.65Å; V1227-F1231 HydrophobicContact CG1-CZ 4.49Å; V1227-F1231 WeakPolarHBondContact O-CD2 3.37Å; R1229-F1231 VanDerWaalsContact C-N 3.31Å; R1229-F1231 PolarHBondContact O-N 3.21Å; F1231-D1233 PolarHBondContact O-N 3.11Å; F1231-W1235 VanDerWaalsContact O-CD1 3.27Å; F1231-L1353 HydrophobicContact CZ-CD1 4.28Å |
| 1232 | S | 30.1 | Very low | 30.7 | Very low | 51 Ų | 51 | 99.4 Ų | 99.4 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.6 | -22.4 | -178.4 | 87.7 | 0 | 0 | 0 | 0 | 113.7 | R1229 S1230 K1236 | R1229-S1232 WeakPolarHBondContact O-CA 3.23Å; R1229-S1232 VanDerWaalsContact O-CB 3.25Å; R1229-S1232 WeakPolarHBondContact O-CB 3.44Å; R1229-S1232 PolarHBondContact O-N 3.36Å; R1229-S1232 PolarHBondContact O-OG 3.36Å; S1230-S1232 PolarHBondContact O-N 3.23Å; S1232-K1236 WeakPolarHBondContact O-CD 3.49Å; S1232-K1236 WeakPolarHBondContact O-CE 3.45Å; S1232-K1236 VanDerWaalsContact O-CG 3.24Å; S1232-K1236 WeakPolarHBondContact O-CG 3.49Å; S1232-K1236 PolarHBondContact O-NZ 3.27Å; S1232-K1236 VanDerWaalsContact O-NZ 3.11Å; S1232-K1236 PolarHBondContact OG-NZ 2.76Å |
| 1233 | D | 27.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -100.7 | -41.3 | -175 | -70.3 | -52.6 | 0 | 0 | 0 | 112.7 | S1230 F1231 W1235 K1236 | S1230-D1233 PolarHBondContact O-N 3.05Å; F1231-D1233 PolarHBondContact O-N 3.11Å; D1233-W1235 PolarHBondContact O-N 3.13Å; D1233-K1236 PolarHBondContact O-N 2.95Å; D1233-K1236 IonicContact OD1-NZ 3.47Å; D1233-K1236 PolarHBondContact OD1-NZ 3.45Å |
| 1234 | T | 28 | Very low | 28.2 | Very low | 118 Ų | 118 | 105.9 Ų | 105.9 | 72% | 0.724 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.9 | -18.9 | 178.5 | -33.6 | 0 | 0 | 0 | 0 | 113.2 | S1230 | S1230-T1234 PolarHBondContact O-OG1 3.34Å |
| 1235 | W | 25.5 | Very low | 27.4 | Very low | 183 Ų | 183 | 110.9 Ų | 110.9 | 69% | 0.693 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -8.5 | 176.4 | -76.9 | 96.4 | 0 | 0 | 0 | 114.8 | F1231 D1233 A1237 | F1231-W1235 VanDerWaalsContact O-CD1 3.27Å; D1233-W1235 PolarHBondContact O-N 3.13Å; W1235-A1237 PolarHBondContact O-N 2.81Å; W1235-A1237 VanDerWaalsContact O-N 3.1Å |
| 1236 | K | 24.9 | Very low | 26.7 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 53% | 0.53 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -2.8 | 179.3 | -83.3 | 165.8 | -167.3 | 145.7 | 0 | 114.8 | S1232 D1233 L1238 | S1232-K1236 WeakPolarHBondContact O-CD 3.49Å; S1232-K1236 WeakPolarHBondContact O-CE 3.45Å; S1232-K1236 VanDerWaalsContact O-CG 3.24Å; S1232-K1236 WeakPolarHBondContact O-CG 3.49Å; S1232-K1236 PolarHBondContact O-NZ 3.27Å; S1232-K1236 VanDerWaalsContact O-NZ 3.11Å; S1232-K1236 PolarHBondContact OG-NZ 2.76Å; D1233-K1236 PolarHBondContact O-N 2.95Å; D1233-K1236 IonicContact OD1-NZ 3.47Å; D1233-K1236 PolarHBondContact OD1-NZ 3.45Å; K1236-L1238 PolarHBondContact O-N 3.03Å |
| 1237 | A | 23.7 | Very low | 26.3 | Very low | 95 Ų | 95 | 115 Ų | 115 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -5.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1235 | W1235-A1237 PolarHBondContact O-N 2.81Å; W1235-A1237 VanDerWaalsContact O-N 3.1Å |
| 1238 | L | 22 | Very low | 25.6 | Very low | 147 Ų | 147 | 121.2 Ų | 121.2 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -128.3 | 135.2 | 175.5 | -139 | 71.4 | 0 | 0 | 0 | 110.5 | K1236 | K1236-L1238 PolarHBondContact O-N 3.03Š|
| 1239 | C | 22.3 | Very low | 25.3 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | trans | 74 | 84.8 | -178.2 | -58.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1240 | W | 20.9 | Very low | 25.1 | Very low | 243 Ų | 243 | 124.6 Ų | 124.6 | 92% | 0.92 | 71% | 0.708 | S | S | * | * | trans | -94.8 | 156.6 | 156.8 | -107.5 | 63.5 | 0 | 0 | 0 | 111.3 | ||||
| 1241 | A | 22.8 | Very low | 24.7 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 68 | 138.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1242 | L | 24.9 | Very low | 24.4 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | cis | -122 | 175 | 3.1 | -73.9 | 168.6 | 0 | 0 | 0 | 112.6 | ||||
| 1243 | G | 23.8 | Very low | 24.3 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | -87.3 | 152.9 | -160 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1244 | S | 25.3 | Very low | 24.6 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | -169.9 | 123.9 | 146.3 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1245 | P | 25.7 | Very low | 25.3 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -103.9 | 82.8 | -169.6 | 37.9 | -32.8 | 0 | 0 | 0 | 114.2 | ||
| 1246 | M | 22.7 | Very low | 25.9 | Very low | 189 Ų | 189 | 119.5 Ų | 119.5 | 93% | 0.931 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -171.7 | -17 | 149.6 | -112.8 | 176.8 | -175.9 | 0 | 0 | 114.7 | ||
| 1247 | A | 24.4 | Very low | 26.7 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 79% | 0.793 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -101.5 | 31.3 | -170 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1248 | K | 22.5 | Very low | 27.3 | Very low | 171 Ų | 171 | 110 Ų | 110 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -124.3 | 44.4 | -171.8 | -69.5 | -167.7 | 174.6 | -173.7 | 0 | 114.8 | ||||
| 1249 | V | 24.9 | Very low | 28 | Very low | 136 Ų | 136 | 103 Ų | 103 | 82% | 0.824 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -119.9 | -8 | 177 | -175.4 | 0 | 0 | 0 | 0 | 113 | ||
| 1250 | L | 23.1 | Very low | 29.2 | Very low | 163 Ų | 163 | 97.1 Ų | 97.1 | 85% | 0.853 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -135.3 | 90.8 | -177 | -72.3 | 171.5 | 0 | 0 | 0 | 112.4 | ||
| 1251 | K | 22.8 | Very low | 30.2 | Very low | 208 Ų | 208 | 85.7 Ų | 85.7 | 90% | 0.904 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -175.3 | 151.2 | 150.1 | -109.8 | 170.5 | -178.7 | -175.4 | 0 | 111.5 | ||
| 1252 | A | 24.9 | Very low | 31.2 | Very low | 76 Ų | 76 | 81.6 Ų | 81.6 | 63% | 0.628 | 47% | 0.47 | S | S | * | . | trans | 54.1 | 77.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1253 | Q | 27.7 | Very low | 32.3 | Very low | 103 Ų | 103 | 74.3 Ų | 74.3 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -122.4 | 149.5 | 144.6 | -84.9 | -167.2 | -16.6 | 0 | 0 | 108.8 | L1228 N1292 | L1228-Q1253 PolarHBondContact O-NE2 2.85Å; Q1253-N1292 PolarHBondContact O-ND2 3.38Å; Q1253-N1292 VanDerWaalsContact O-ND2 3.16Å | ||
| 1254 | E | 34.1 | Very low | 33.7 | Very low | 60 Ų | 60 | 70.5 Ų | 70.5 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | trans | -155.6 | 156.2 | -149 | -133.4 | -168.6 | -119.1 | 0 | 0 | 112.8 | Y1037 S1339 | Y1037-E1254 WeakPolarHBondContact CA-OE2 3.44Å; Y1037-E1254 WeakPolarHBondContact CB-OE2 3.49Å; Y1037-E1254 HydrophobicContact CD1-CB 2.72Å; Y1037-E1254 HydrophobicContact CD1-CG 2.3Å; Y1037-E1254 WeakPolarHBondContact CD1-OE2 3.27Å; Y1037-E1254 HydrophobicContact CD2-CB 3.84Å; Y1037-E1254 HydrophobicContact CD2-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CD2-OE1 3.33Å; Y1037-E1254 WeakPolarHBondContact CD2-OE2 3.28Å; Y1037-E1254 HydrophobicContact CE1-CB 2.7Å; Y1037-E1254 HydrophobicContact CE1-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CE1-OE1 3.29Å; Y1037-E1254 WeakPolarHBondContact CE1-OE2 3.5Å; Y1037-E1254 HydrophobicContact CE2-CB 3.81Å; Y1037-E1254 HydrophobicContact CE2-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact CE2-OE1 3.32Å; Y1037-E1254 HydrophobicContact CG-CB 3.34Å; Y1037-E1254 HydrophobicContact CG-CG 2.31Å; Y1037-E1254 WeakPolarHBondContact OH-CG 3.36Å; Y1037-E1254 PolarHBondContact OH-OE1 3.01Å; E1254-S1339 PolarHBondContact OE2-OG 2.76Å; E1254-S1339 VanDerWaalsContact OE2-OG 3.12Å | ||
| 1255 | N | 42.8 | Very low | 35.6 | Very low | 31 Ų | 31 | 67.8 Ų | 67.8 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | trans | -145.8 | 148.4 | -161.8 | -50 | -74 | 0 | 0 | 0 | 111.7 | Y1037 T1210 R1211 P1212 | Y1037-N1255 WeakPolarHBondContact CB-O 3.22Å; T1210-N1255 WeakPolarHBondContact O-CB 3.34Å; T1210-N1255 PolarHBondContact O-ND2 3Å; R1211-N1255 WeakPolarHBondContact CA-ND2 3.48Å; P1212-N1255 WeakPolarHBondContact CD-OD1 3.32Å | ||
| 1256 | G | 36.9 | Very low | 37.6 | Very low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -69 | 150.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1257 | P | 43.6 | Very low | 39.6 | Very low | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 147.3 | 161.2 | 30 | -35.9 | 0 | 0 | 0 | 111.1 | W1207 T1208 W1335 W1351 | W1207-P1257 HydrophobicContact CB-CB 4.22Å; W1207-P1257 HydrophobicContact CE3-CB 4.03Å; W1207-P1257 HydrophobicContact CE3-CG 4.05Å; T1208-P1257 CarbonylContact O-C 3.54Å; T1208-P1257 VanDerWaalsContact O-CA 3.24Å; T1208-P1257 WeakPolarHBondContact O-CA 3.45Å; P1257-W1335 HydrophobicContact CG-CD2 4.41Å; P1257-W1335 HydrophobicContact CG-CE3 3.94Å; P1257-W1335 HydrophobicContact CG-CZ3 4.36Å; P1257-W1351 PolarHBondContact O-NE1 2.95Å |
| 1258 | L | 35.7 | Very low | 41.5 | Very low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.7 | 169.9 | -79.9 | 146.1 | 0 | 0 | 0 | 108.6 | F1206 W1207 T1208 T1210 I1260 P1324 P1326 W1351 | F1206-L1258 VanDerWaalsContact O-O 3.08Å; W1207-L1258 CarbonylContact C-O 3.41Å; W1207-L1258 VanDerWaalsContact CA-O 3.25Å; W1207-L1258 WeakPolarHBondContact CA-O 3.15Å; T1208-L1258 PolarHBondContact N-O 2.86Å; T1208-L1258 PolarHBondContact O-N 2.66Å; T1210-L1258 HydrophobicContact CG2-CD1 3.71Å; T1210-L1258 WeakPolarHBondContact OG1-CD1 3.31Å; L1258-I1260 HydrophobicContact CB-CD1 4.42Å; L1258-I1260 HydrophobicContact CB-CG1 4.23Å; L1258-I1260 WeakPolarHBondContact O-CG1 3.47Å; L1258-P1324 HydrophobicContact CB-CB 3.76Å; L1258-P1324 HydrophobicContact CD1-CB 3.58Å; L1258-P1324 HydrophobicContact CD1-CG 4.01Å; L1258-P1324 HydrophobicContact CD2-CB 3.86Å; L1258-P1324 HydrophobicContact CG-CB 3.93Å; L1258-P1326 HydrophobicContact CD2-CB 4.05Å; L1258-W1351 HydrophobicContact CD1-CD2 4.47Å; L1258-W1351 HydrophobicContact CD1-CH2 3.44Å; L1258-W1351 VanDerWaalsContact CD1-CH2 3.44Å; L1258-W1351 HydrophobicContact CD1-CZ2 3.28Å; L1258-W1351 HydrophobicContact CD1-CZ3 4.08Å; L1258-W1351 HydrophobicContact CD2-CD2 3.79Å; L1258-W1351 HydrophobicContact CD2-CE3 4.19Å; L1258-W1351 HydrophobicContact CD2-CG 4.2Å; L1258-W1351 HydrophobicContact CD2-CH2 4.47Å; L1258-W1351 HydrophobicContact CD2-CZ2 4.07Å; L1258-W1351 HydrophobicContact CG-CD2 4.14Å; L1258-W1351 VanDerWaalsContact CG-CE2 3.49Å; L1258-W1351 HydrophobicContact CG-CH2 4.1Å; L1258-W1351 HydrophobicContact CG-CZ2 3.5Å; L1258-W1351 VanDerWaalsContact CG-CZ2 3.5Å |
| 1259 | N | 36.2 | Very low | 43.2 | Very low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 141.2 | 164.7 | -155.2 | 22 | 0 | 0 | 0 | 111.4 | S682 S1205 F1206 W1207 H1325 | S682-N1259 VanDerWaalsContact CB-ND2 3.34Å; S682-N1259 WeakPolarHBondContact CB-ND2 3.39Å; S682-N1259 PolarHBondContact OG-ND2 3.37Å; S1205-N1259 PolarHBondContact OG-ND2 2.79Å; S1205-N1259 PolarHBondContact OG-OD1 2.64Å; F1206-N1259 PolarHBondContact N-OD1 2.84Å; F1206-N1259 VanDerWaalsContact N-OD1 3.13Å; F1206-N1259 WeakPolarHBondContact O-CA 3.37Å; F1206-N1259 PolarHBondContact O-OD1 3.05Å; F1206-N1259 VanDerWaalsContact O-OD1 3.06Å; W1207-N1259 HydrophobicContact CD2-CB 4.09Å; W1207-N1259 HydrophobicContact CG-CB 4.33Å; W1207-N1259 HydrophobicContact CZ2-CB 4.09Å; N1259-H1325 PolarHBondContact O-N 2.68Å |
| 1260 | I | 46.8 | Very low | 45 | Very low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.1 | -168.6 | -47.6 | -161.7 | 0 | 0 | 0 | 111.4 | S1205 F1206 T1208 L1258 Y1287 P1302 P1324 | S1205-I1260 WeakPolarHBondContact CA-O 3.31Å; F1206-I1260 PolarHBondContact N-O 3.15Å; F1206-I1260 PolarHBondContact O-N 2.98Å; T1208-I1260 WeakPolarHBondContact OG1-CD1 2.96Å; L1258-I1260 HydrophobicContact CB-CD1 4.42Å; L1258-I1260 HydrophobicContact CB-CG1 4.23Å; L1258-I1260 WeakPolarHBondContact O-CG1 3.47Å; I1260-Y1287 HydrophobicContact CD1-CD1 4.04Å; I1260-Y1287 HydrophobicContact CD1-CE1 3.23Å; I1260-P1302 HydrophobicContact CB-CG 4.05Å; I1260-P1302 HydrophobicContact CD1-CG 4.19Å; I1260-P1302 HydrophobicContact CG2-CG 3.88Å; I1260-P1324 HydrophobicContact CD1-CB 3.74Å; I1260-P1324 HydrophobicContact CD1-CG 3.72Å; I1260-P1324 HydrophobicContact CG1-CB 3.91Å; I1260-P1324 HydrophobicContact CG1-CG 4.4Å |
| 1261 | N | 41.6 | Very low | 47.2 | Very low | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.2 | 172.9 | -58.8 | -12.1 | 0 | 0 | 0 | 109.8 | W1203 L1263 H1325 | W1203-N1261 HydrophobicContact CZ2-CB 4.12Å; W1203-N1261 WeakPolarHBondContact CZ2-OD1 3.32Å; N1261-L1263 PolarHBondContact O-N 3.49Å; N1261-L1263 VanDerWaalsContact O-N 3.11Å; N1261-H1325 PolarHBondContact ND2-NE2 2.88Å; N1261-H1325 VanDerWaalsContact ND2-NE2 3.11Å |
| 1262 | T | 45 | Very low | 49.4 | Very low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -72.8 | -3 | -171.5 | 61.6 | 0 | 0 | 0 | 0 | 116.2 | R1202 W1203 K1204 F1206 G1264 P1302 N1303 | R1202-T1262 PolarHBondContact O-OG1 3.2Å; W1203-T1262 VanDerWaalsContact CA-OG1 3.29Å; W1203-T1262 WeakPolarHBondContact CA-OG1 3.17Å; K1204-T1262 HydrophobicContact CB-CG2 3.63Å; K1204-T1262 PolarHBondContact N-OG1 3.24Å; K1204-T1262 WeakPolarHBondContact O-CG2 3.25Å; K1204-T1262 PolarHBondContact O-N 3.19Å; K1204-T1262 VanDerWaalsContact O-N 3.17Å; F1206-T1262 HydrophobicContact CD2-CG2 4.42Å; T1262-G1264 PolarHBondContact O-N 2.89Å; T1262-P1302 WeakPolarHBondContact CB-O 3.44Å; T1262-P1302 HydrophobicContact CG2-CB 4.39Å; T1262-P1302 WeakPolarHBondContact CG2-O 3.42Å; T1262-N1303 WeakPolarHBondContact O-CB 3.44Å |
| 1263 | L | 48.1 | Very low | 51.5 | Low | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 44.8 | 173.7 | -62.8 | 169.2 | 0 | 0 | 0 | 112.3 | F1101 D1105 V1125 Q1163 L1198 N1261 M1323 | F1101-L1263 HydrophobicContact CD1-CD1 4.28Å; F1101-L1263 HydrophobicContact CE1-CD1 3.74Å; F1101-L1263 HydrophobicContact CZ-CD1 4.36Å; D1105-L1263 WeakPolarHBondContact OD2-CD1 3.5Å; V1125-L1263 HydrophobicContact CB-CD2 4.46Å; V1125-L1263 HydrophobicContact CG1-CB 4.35Å; V1125-L1263 HydrophobicContact CG1-CD2 4.13Å; V1125-L1263 HydrophobicContact CG2-CD2 3.67Å; Q1163-L1263 PolarHBondContact NE2-O 3.26Å; L1198-L1263 HydrophobicContact CD1-CD2 3.75Å; L1198-L1263 HydrophobicContact CD2-CD2 3.87Å; L1198-L1263 HydrophobicContact CG-CD2 3.88Å; N1261-L1263 PolarHBondContact O-N 3.49Å; N1261-L1263 VanDerWaalsContact O-N 3.11Å; L1263-M1323 WeakPolarHBondContact O-CE 3.25Å |
| 1264 | G | 53.8 | Low | 53.7 | Low | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 7 | -152.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q1197 T1262 F1266 N1303 | Q1197-G1264 PolarHBondContact O-N 2.85Å; T1262-G1264 PolarHBondContact O-N 2.89Å; G1264-F1266 PolarHBondContact O-N 2.89Å; G1264-N1303 VanDerWaalsContact C-CG 3.46Å; G1264-N1303 PolarHBondContact O-ND2 3.49Å |
| 1265 | R | 64.6 | Low | 55.8 | Low | 32 Ų | 32 | 31 Ų | 31 | 12% | 0.121 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.1 | 178.6 | 160.1 | 174.5 | 174.6 | 150.2 | 6.3 | 111.3 | F1196 Q1197 E1199 N1267 N1303 G1304 S1305 | F1196-R1265 CarbonylContact C-O 3.29Å; F1196-R1265 WeakPolarHBondContact CA-O 3.19Å; Q1197-R1265 HydrophobicContact CB-CB 3.84Å; Q1197-R1265 HydrophobicContact CB-CG 3.77Å; Q1197-R1265 PolarHBondContact N-O 3.38Å; Q1197-R1265 WeakPolarHBondContact O-CB 3.06Å; Q1197-R1265 PolarHBondContact O-N 2.87Å; E1199-R1265 IonicContact OE1-CZ 3.25Å; E1199-R1265 IonicContact OE1-NH1 2.66Å; E1199-R1265 PolarHBondContact OE1-NH1 3.04Å; E1199-R1265 IonicContact OE2-NH1 2.98Å; R1265-N1267 PolarHBondContact O-N 3.24Å; R1265-N1303 WeakPolarHBondContact CA-OD1 3.35Å; R1265-N1303 HydrophobicContact CB-CB 3.99Å; R1265-N1303 VanDerWaalsContact CB-O 3.29Å; R1265-N1303 WeakPolarHBondContact CB-O 3.34Å; R1265-N1303 WeakPolarHBondContact CD-O 3.36Å; R1265-G1304 WeakPolarHBondContact CD-O 3.46Å; R1265-G1304 PolarHBondContact NE-O 3.05Å; R1265-G1304 PolarHBondContact NH1-O 2.89Å; R1265-S1305 WeakPolarHBondContact CA-OG 3.3Å |
| 1266 | F | 67.7 | Low | 57.3 | Low | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 126.1 | 172.9 | -72.7 | -96.5 | 0 | 0 | 0 | 109.7 | F1196 G1264 F1268 S1305 P1306 I1309 I1312 M1323 | F1196-F1266 AromaticContact CE1-CD1 3.7Å; F1196-F1266 HydrophobicContact CE1-CD1 3.7Å; F1196-F1266 AromaticContact CE1-CD2 3.97Å; F1196-F1266 HydrophobicContact CE1-CD2 3.97Å; F1196-F1266 AromaticContact CE1-CE1 3.5Å; F1196-F1266 HydrophobicContact CE1-CE1 3.5Å; F1196-F1266 AromaticContact CE1-CE2 3.79Å; F1196-F1266 HydrophobicContact CE1-CE2 3.79Å; F1196-F1266 AromaticContact CE1-CG 3.95Å; F1196-F1266 HydrophobicContact CE1-CG 3.95Å; F1196-F1266 AromaticContact CE1-CZ 3.56Å; F1196-F1266 HydrophobicContact CE1-CZ 3.56Å; F1196-F1266 AromaticContact CZ-CD1 3.87Å; F1196-F1266 HydrophobicContact CZ-CD1 3.87Å; F1196-F1266 AromaticContact CZ-CE1 3.51Å; F1196-F1266 HydrophobicContact CZ-CE1 3.51Å; F1196-F1266 AromaticContact CZ-CZ 3.91Å; F1196-F1266 HydrophobicContact CZ-CZ 3.91Å; G1264-F1266 PolarHBondContact O-N 2.89Å; F1266-F1268 HydrophobicContact CB-CE2 4.1Å; F1266-F1268 HydrophobicContact CB-CZ 3.83Å; F1266-F1268 WeakPolarHBondContact O-CE2 2.84Å; F1266-S1305 PolarHBondContact N-OG 3.19Å; F1266-P1306 WeakPolarHBondContact O-CD 3.39Å; F1266-I1309 HydrophobicContact CB-CB 4.36Å; F1266-I1309 HydrophobicContact CB-CG2 4.06Å; F1266-I1309 HydrophobicContact CD1-CG2 4.14Å; F1266-I1309 HydrophobicContact CD2-CB 4.26Å; F1266-I1309 HydrophobicContact CD2-CG2 3.6Å; F1266-I1309 WeakPolarHBondContact CD2-O 3.28Å; F1266-I1309 HydrophobicContact CE1-CG2 4.5Å; F1266-I1309 HydrophobicContact CE2-CG2 4.01Å; F1266-I1309 HydrophobicContact CG-CB 4.4Å; F1266-I1309 HydrophobicContact CG-CG2 3.66Å; F1266-I1309 HydrophobicContact CZ-CG2 4.43Å; F1266-I1312 HydrophobicContact CD1-CD1 3.38Å; F1266-I1312 HydrophobicContact CD1-CG1 3.94Å; F1266-I1312 HydrophobicContact CE1-CB 4.2Å; F1266-I1312 HydrophobicContact CE1-CD1 3.55Å; F1266-I1312 HydrophobicContact CE1-CG1 3.67Å; F1266-I1312 HydrophobicContact CG-CD1 4.36Å; F1266-I1312 HydrophobicContact CZ-CG1 4.35Å; F1266-M1323 HydrophobicContact CE2-CG 3.89Å; F1266-M1323 HydrophobicContact CZ-CG 4.3Å |
| 1267 | N | 64.2 | Low | 59.2 | Low | 39 Ų | 39 | 31.8 Ų | 31.8 | 21% | 0.209 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.8 | 177.1 | -149.2 | 86.9 | 0 | 0 | 0 | 110.4 | I1195 Q1197 R1265 | I1195-N1267 HydrophobicContact CB-CB 4.45Å; I1195-N1267 HydrophobicContact CG2-CB 4.34Å; I1195-N1267 PolarHBondContact N-O 3.44Å; I1195-N1267 VanDerWaalsContact N-O 3.08Å; I1195-N1267 WeakPolarHBondContact O-CA 3.47Å; I1195-N1267 WeakPolarHBondContact O-CB 3.15Å; I1195-N1267 PolarHBondContact O-N 3.37Å; Q1197-N1267 HydrophobicContact CG-CB 3.9Å; Q1197-N1267 PolarHBondContact NE2-ND2 3.27Å; Q1197-N1267 PolarHBondContact OE1-OD1 2.97Å; R1265-N1267 PolarHBondContact O-N 3.24Å |
| 1268 | F | 64.3 | Low | 61 | Low | 25 Ų | 25 | 33.2 Ų | 33.2 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.3 | -164 | -49.7 | -93.3 | 0 | 0 | 0 | 109.1 | F1194 F1266 L1274 L1277 P1306 I1309 I1312 | F1194-F1268 HydrophobicContact CD1-CD1 4.14Å; F1194-F1268 HydrophobicContact CD1-CE1 4.07Å; F1194-F1268 AromaticContact CE1-CD1 3.6Å; F1194-F1268 HydrophobicContact CE1-CD1 3.6Å; F1194-F1268 AromaticContact CE1-CE1 3.64Å; F1194-F1268 HydrophobicContact CE1-CE1 3.64Å; F1194-F1268 HydrophobicContact CZ-CD1 4.43Å; F1266-F1268 HydrophobicContact CB-CE2 4.1Å; F1266-F1268 HydrophobicContact CB-CZ 3.83Å; F1266-F1268 WeakPolarHBondContact O-CE2 2.84Å; F1268-L1274 HydrophobicContact CD1-CB 4.34Å; F1268-L1274 HydrophobicContact CD2-CB 4.46Å; F1268-L1274 HydrophobicContact CE1-CD1 4.42Å; F1268-L1274 HydrophobicContact CE2-CD1 4.31Å; F1268-L1274 HydrophobicContact CG-CB 4.26Å; F1268-L1274 HydrophobicContact CZ-CD1 4.14Å; F1268-L1277 HydrophobicContact CD1-CD1 4.17Å; F1268-L1277 HydrophobicContact CE1-CD1 3.5Å; F1268-L1277 VanDerWaalsContact CE1-CD1 3.5Å; F1268-L1277 HydrophobicContact CZ-CD1 4.46Å; F1268-P1306 HydrophobicContact CD2-CG 4.07Å; F1268-P1306 HydrophobicContact CE2-CG 3.53Å; F1268-I1309 HydrophobicContact CE2-CD1 4.18Å; F1268-I1309 HydrophobicContact CZ-CD1 3.61Å; F1268-I1312 HydrophobicContact CE1-CD1 4.34Å |
| 1269 | S | 59.4 | Low | 63 | Low | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -80.6 | -20.1 | -179.2 | 46.6 | 0 | 0 | 0 | 0 | 114.1 | K1191 S1192 H1193 | K1191-S1269 VanDerWaalsContact O-CB 3.26Å; K1191-S1269 WeakPolarHBondContact O-CB 3.5Å; K1191-S1269 PolarHBondContact O-OG 3.05Å; S1192-S1269 WeakPolarHBondContact CA-OG 3.22Å; H1193-S1269 PolarHBondContact N-OG 2.89Å; H1193-S1269 VanDerWaalsContact N-OG 3.12Å |
| 1270 | N | 62.8 | Low | 64.8 | Low | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -152.5 | 162.9 | 169.9 | 58.5 | -7 | 0 | 0 | 0 | 109.6 | E1272 A1273 | N1270-E1272 VanDerWaalsContact C-N 3.28Å; N1270-E1272 PolarHBondContact ND2-OE2 2.94Å; N1270-E1272 PolarHBondContact O-N 2.74Å; N1270-A1273 PolarHBondContact O-N 2.87Å; N1270-A1273 VanDerWaalsContact OD1-CB 3.3Å; N1270-A1273 WeakPolarHBondContact OD1-CB 3.31Å; N1270-A1273 PolarHBondContact OD1-N 2.8Å |
| 1271 | D | 68.1 | Low | 66.3 | Low | 132 Ų | 132 | 48.8 Ų | 48.8 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.2 | -29.9 | 178.4 | -55.2 | -49.5 | 0 | 0 | 0 | 111.8 | A1273 L1274 D1275 | D1271-A1273 PolarHBondContact O-N 3.18Å; D1271-L1274 WeakPolarHBondContact O-CA 3.34Å; D1271-L1274 WeakPolarHBondContact O-CB 3.33Å; D1271-L1274 PolarHBondContact O-N 3.26Å; D1271-D1275 PolarHBondContact O-N 3.48Å |
| 1272 | E | 69.2 | Low | 68.2 | Low | 135 Ų | 135 | 49 Ų | 49 | 63% | 0.631 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -56.5 | -35.3 | 177.3 | -56.7 | 170.5 | 129.7 | 0 | 0 | 112.5 | N1270 L1274 D1275 V1276 | N1270-E1272 VanDerWaalsContact C-N 3.28Å; N1270-E1272 PolarHBondContact ND2-OE2 2.94Å; N1270-E1272 PolarHBondContact O-N 2.74Å; E1272-L1274 VanDerWaalsContact C-N 3.32Å; E1272-L1274 PolarHBondContact O-N 2.71Å; E1272-D1275 PolarHBondContact O-N 3.11Å; E1272-V1276 WeakPolarHBondContact O-CB 3.25Å; E1272-V1276 VanDerWaalsContact O-CG2 3.28Å; E1272-V1276 WeakPolarHBondContact O-CG2 3.3Å; E1272-V1276 PolarHBondContact O-N 2.79Å |
| 1273 | A | 69.2 | Low | 69.9 | Low | 12 Ų | 12 | 49.1 Ų | 49.1 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1270 D1271 L1277 | N1270-A1273 PolarHBondContact O-N 2.87Å; N1270-A1273 VanDerWaalsContact OD1-CB 3.3Å; N1270-A1273 WeakPolarHBondContact OD1-CB 3.31Å; N1270-A1273 PolarHBondContact OD1-N 2.8Å; D1271-A1273 PolarHBondContact O-N 3.18Å; A1273-L1277 WeakPolarHBondContact O-CG 3.26Å; A1273-L1277 PolarHBondContact O-N 3.25Å |
| 1274 | L | 74.6 | Confident | 71.3 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.2 | -43.3 | 172.6 | 175.2 | 58.7 | 0 | 0 | 0 | 110.7 | F1268 D1271 E1272 V1276 L1277 E1278 I1283 I1309 | F1268-L1274 HydrophobicContact CD1-CB 4.34Å; F1268-L1274 HydrophobicContact CD2-CB 4.46Å; F1268-L1274 HydrophobicContact CE1-CD1 4.42Å; F1268-L1274 HydrophobicContact CE2-CD1 4.31Å; F1268-L1274 HydrophobicContact CG-CB 4.26Å; F1268-L1274 HydrophobicContact CZ-CD1 4.14Å; D1271-L1274 WeakPolarHBondContact O-CA 3.34Å; D1271-L1274 WeakPolarHBondContact O-CB 3.33Å; D1271-L1274 PolarHBondContact O-N 3.26Å; E1272-L1274 VanDerWaalsContact C-N 3.32Å; E1272-L1274 PolarHBondContact O-N 2.71Å; L1274-V1276 VanDerWaalsContact C-N 3.32Å; L1274-V1276 PolarHBondContact O-N 2.79Å; L1274-L1277 WeakPolarHBondContact O-CB 3.2Å; L1274-L1277 PolarHBondContact O-N 3.47Å; L1274-L1277 VanDerWaalsContact O-N 3.14Å; L1274-E1278 HydrophobicContact CD1-CG 4.31Å; L1274-E1278 WeakPolarHBondContact O-CG 3.33Å; L1274-E1278 PolarHBondContact O-N 2.83Å; L1274-I1283 HydrophobicContact CD1-CD1 4.49Å; L1274-I1309 HydrophobicContact CD1-CD1 3.53Å |
| 1275 | D | 76.8 | Confident | 72.5 | Confident | 105 Ų | 105 | 48.9 Ų | 48.9 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.4 | -41.2 | 175.3 | -77.6 | -25.7 | 0 | 0 | 0 | 111.9 | D1271 E1272 L1277 E1278 H1279 | D1271-D1275 PolarHBondContact O-N 3.48Å; E1272-D1275 PolarHBondContact O-N 3.11Å; D1275-L1277 PolarHBondContact O-N 2.93Å; D1275-E1278 PolarHBondContact O-N 2.91Å; D1275-H1279 WeakPolarHBondContact O-CB 3.48Å; D1275-H1279 PolarHBondContact O-N 2.91Å |
| 1276 | V | 75 | Confident | 73.4 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 174 | 164.8 | 0 | 0 | 0 | 0 | 111.6 | Y1174 E1272 L1274 H1280 | Y1174-V1276 HydrophobicContact CD2-CG1 4Å; E1272-V1276 WeakPolarHBondContact O-CB 3.25Å; E1272-V1276 VanDerWaalsContact O-CG2 3.28Å; E1272-V1276 WeakPolarHBondContact O-CG2 3.3Å; E1272-V1276 PolarHBondContact O-N 2.79Å; L1274-V1276 VanDerWaalsContact C-N 3.32Å; L1274-V1276 PolarHBondContact O-N 2.79Å; V1276-H1280 WeakPolarHBondContact O-CB 3.26Å; V1276-H1280 PolarHBondContact O-CD2 2.76Å; V1276-H1280 VanDerWaalsContact O-CD2 3.24Å; V1276-H1280 PolarHBondContact O-N 2.94Å |
| 1277 | L | 77.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.6 | -77.6 | 167 | 0 | 0 | 0 | 113.1 | Y1174 F1194 F1268 A1273 L1274 D1275 H1281 L1282 I1283 I1312 | Y1174-L1277 HydrophobicContact CE2-CD2 3.77Å; F1194-L1277 HydrophobicContact CE1-CD1 3.79Å; F1194-L1277 HydrophobicContact CZ-CD1 4.34Å; F1268-L1277 HydrophobicContact CD1-CD1 4.17Å; F1268-L1277 HydrophobicContact CE1-CD1 3.5Å; F1268-L1277 VanDerWaalsContact CE1-CD1 3.5Å; F1268-L1277 HydrophobicContact CZ-CD1 4.46Å; A1273-L1277 WeakPolarHBondContact O-CG 3.26Å; A1273-L1277 PolarHBondContact O-N 3.25Å; L1274-L1277 WeakPolarHBondContact O-CB 3.2Å; L1274-L1277 PolarHBondContact O-N 3.47Å; L1274-L1277 VanDerWaalsContact O-N 3.14Å; D1275-L1277 PolarHBondContact O-N 2.93Å; L1277-H1281 PolarHBondContact O-N 3.32Å; L1277-L1282 HydrophobicContact CD2-CB 3.67Å; L1277-L1282 HydrophobicContact CD2-CD1 4.23Å; L1277-L1282 PolarHBondContact O-N 3.14Å; L1277-I1283 HydrophobicContact CB-CD1 4Å; L1277-I1283 HydrophobicContact CB-CG1 4.13Å; L1277-I1312 HydrophobicContact CD1-CD1 3.78Å; L1277-I1312 HydrophobicContact CD2-CD1 4.5Å; L1277-I1312 HydrophobicContact CD2-CG2 3.77Å |
| 1278 | E | 80.1 | Confident | 74.3 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -48 | 174.4 | -71 | -73 | -172.5 | 0 | 0 | 111.1 | L1274 D1275 H1281 I1283 R1286 H1307 | L1274-E1278 HydrophobicContact CD1-CG 4.31Å; L1274-E1278 WeakPolarHBondContact O-CG 3.33Å; L1274-E1278 PolarHBondContact O-N 2.83Å; D1275-E1278 PolarHBondContact O-N 2.91Å; E1278-H1281 PolarHBondContact O-N 3.03Å; E1278-H1281 VanDerWaalsContact O-N 3.14Å; E1278-H1281 PolarHBondContact O-ND1 3.11Å; E1278-I1283 HydrophobicContact CG-CD1 4.01Å; E1278-R1286 VanDerWaalsContact CD-NH2 3.3Å; E1278-R1286 IonicContact OE1-CZ 3.41Å; E1278-R1286 IonicContact OE1-NH1 3.85Å; E1278-R1286 PolarHBondContact OE1-NH1 2.91Å; E1278-R1286 IonicContact OE1-NH2 3.62Å; E1278-R1286 PolarHBondContact OE1-NH2 3.37Å; E1278-R1286 IonicContact OE2-CZ 2.69Å; E1278-R1286 IonicContact OE2-NH1 2.71Å; E1278-R1286 IonicContact OE2-NH2 3.28Å; E1278-R1286 PolarHBondContact OE2-NH2 2.97Å; E1278-H1307 IonicContact OE1-CE1 3.31Å; E1278-H1307 IonicContact OE1-CG 3.08Å; E1278-H1307 IonicContact OE1-ND1 2.71Å; E1278-H1307 PolarHBondContact OE1-ND1 3.29Å |
| 1279 | H | 78 | Confident | 74.4 | Confident | 143 Ų | 143 | 45.6 Ų | 45.6 | 66% | 0.662 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.8 | -42.9 | -177.2 | -174.3 | 78 | 0 | 0 | 0 | 113 | D1275 H1281 | D1275-H1279 WeakPolarHBondContact O-CB 3.48Å; D1275-H1279 PolarHBondContact O-N 2.91Å; H1279-H1281 VanDerWaalsContact C-N 3.27Å; H1279-H1281 PolarHBondContact O-N 3.02Å |
| 1280 | H | 75.4 | Confident | 74.7 | Confident | 100 Ų | 100 | 48 Ų | 48 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.6 | 176.4 | -67.4 | -72.2 | 0 | 0 | 0 | 113.8 | V1276 L1282 | V1276-H1280 WeakPolarHBondContact O-CB 3.26Å; V1276-H1280 PolarHBondContact O-CD2 2.76Å; V1276-H1280 VanDerWaalsContact O-CD2 3.24Å; V1276-H1280 PolarHBondContact O-N 2.94Å; H1280-L1282 HydrophobicContact CB-CD1 3.89Å; H1280-L1282 HydrophobicContact CB-CD2 4.29Å; H1280-L1282 HydrophobicContact CB-CG 3.75Å; H1280-L1282 WeakPolarHBondContact O-CD2 3.45Å; H1280-L1282 PolarHBondContact O-N 2.77Å |
| 1281 | H | 78 | Confident | 74.9 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 40 | 178.7 | -54.9 | -22 | 0 | 0 | 0 | 113.9 | L1215 L1277 E1278 H1279 I1283 | L1215-H1281 WeakPolarHBondContact CD2-O 3.29Å; L1277-H1281 PolarHBondContact O-N 3.32Å; E1278-H1281 PolarHBondContact O-N 3.03Å; E1278-H1281 VanDerWaalsContact O-N 3.14Å; E1278-H1281 PolarHBondContact O-ND1 3.11Å; H1279-H1281 VanDerWaalsContact C-N 3.27Å; H1279-H1281 PolarHBondContact O-N 3.02Å; H1281-I1283 VanDerWaalsContact C-N 3.32Å; H1281-I1283 PolarHBondContact O-N 3.16Å |
| 1282 | L | 80.7 | Confident | 74.8 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | -92.1 | 13.3 | -173.2 | -56.5 | -177.2 | 0 | 0 | 0 | 114.1 | Y1174 L1277 H1280 P1284 I1312 C1313 P1315 | Y1174-L1282 HydrophobicContact CD2-CD1 4.26Å; Y1174-L1282 HydrophobicContact CE2-CD1 3.49Å; Y1174-L1282 VanDerWaalsContact CE2-CD1 3.49Å; L1277-L1282 HydrophobicContact CD2-CB 3.67Å; L1277-L1282 HydrophobicContact CD2-CD1 4.23Å; L1277-L1282 PolarHBondContact O-N 3.14Å; H1280-L1282 HydrophobicContact CB-CD1 3.89Å; H1280-L1282 HydrophobicContact CB-CD2 4.29Å; H1280-L1282 HydrophobicContact CB-CG 3.75Å; H1280-L1282 WeakPolarHBondContact O-CD2 3.45Å; H1280-L1282 PolarHBondContact O-N 2.77Å; L1282-P1284 WeakPolarHBondContact O-CD 3.44Å; L1282-I1312 WeakPolarHBondContact O-CA 2.96Å; L1282-C1313 PolarHBondContact O-N 2.95Å; L1282-P1315 HydrophobicContact CD1-CG 4.31Å | ||
| 1283 | I | 81.7 | Confident | 75.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -110.3 | 85.9 | 178.9 | -60.7 | 160 | 0 | 0 | 0 | 108.4 | A1213 L1274 L1277 E1278 H1281 R1286 I1309 | A1213-I1283 WeakPolarHBondContact CB-O 3.46Å; L1274-I1283 HydrophobicContact CD1-CD1 4.49Å; L1277-I1283 HydrophobicContact CB-CD1 4Å; L1277-I1283 HydrophobicContact CB-CG1 4.13Å; E1278-I1283 HydrophobicContact CG-CD1 4.01Å; H1281-I1283 VanDerWaalsContact C-N 3.32Å; H1281-I1283 PolarHBondContact O-N 3.16Å; I1283-R1286 HydrophobicContact CG2-CG 3.77Å; I1283-I1309 HydrophobicContact CD1-CD1 3.73Å; I1283-I1309 HydrophobicContact CD1-CG1 3.95Å; I1283-I1309 HydrophobicContact CG1-CD1 4.25Å; I1283-I1309 HydrophobicContact CG1-CG1 4.24Å; I1283-I1309 HydrophobicContact CG2-CB 4.39Å; I1283-I1309 HydrophobicContact CG2-CG1 3.81Å; I1283-I1309 HydrophobicContact CG2-CG2 4.2Å | ||
| 1284 | P | 76.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | trans | -74.4 | -27 | -174.3 | 27.5 | -35.9 | 0 | 0 | 0 | 114.7 | P1212 A1213 L1215 V1223 L1282 G1311 C1313 L1320 | P1212-P1284 CarbonylContact C-O 3.6Å; P1212-P1284 VanDerWaalsContact CA-O 3.27Å; P1212-P1284 WeakPolarHBondContact CA-O 3.36Å; A1213-P1284 PolarHBondContact N-O 2.89Å; L1215-P1284 HydrophobicContact CD1-CB 4.19Å; L1215-P1284 HydrophobicContact CD2-CB 4.15Å; V1223-P1284 HydrophobicContact CG2-CB 4.45Å; L1282-P1284 WeakPolarHBondContact O-CD 3.44Å; P1284-G1311 WeakPolarHBondContact CD-O 3.4Å; P1284-C1313 HydrophobicContact CG-CB 4.25Å; P1284-L1320 HydrophobicContact CG-CD1 3.54Å | ||
| 1285 | I | 78.7 | Confident | 75.9 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 137.1 | -175.7 | -50.4 | -171 | 0 | 0 | 0 | 110.4 | T1210 R1211 A1310 G1311 L1322 W1351 | T1210-I1285 HydrophobicContact CG2-CG2 3.95Å; R1211-I1285 WeakPolarHBondContact O-CA 3.41Å; I1285-A1310 HydrophobicContact CB-CB 4.27Å; I1285-A1310 HydrophobicContact CG2-CB 3.95Å; I1285-A1310 WeakPolarHBondContact O-CB 3.27Å; I1285-A1310 PolarHBondContact O-N 3.04Å; I1285-G1311 PolarHBondContact O-N 3Å; I1285-L1322 HydrophobicContact CD1-CD1 3.97Å; I1285-L1322 HydrophobicContact CD1-CD2 3.69Å; I1285-L1322 HydrophobicContact CG1-CD2 4.18Å; I1285-W1351 HydrophobicContact CD1-CZ3 4.43Å |
| 1286 | R | 84 | Confident | 76.2 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.1 | 176.2 | -59.3 | 176.2 | -167.4 | -116.5 | 4.9 | 113.4 | T1210 R1211 E1278 I1283 H1307 G1308 | T1210-R1286 CarbonylContact C-O 3.37Å; T1210-R1286 VanDerWaalsContact C-O 3.29Å; T1210-R1286 WeakPolarHBondContact CA-O 3.42Å; T1210-R1286 VanDerWaalsContact CB-O 3.28Å; T1210-R1286 WeakPolarHBondContact CB-O 3.27Å; R1211-R1286 PolarHBondContact N-O 2.92Å; R1211-R1286 PolarHBondContact O-N 2.68Å; E1278-R1286 VanDerWaalsContact CD-NH2 3.3Å; E1278-R1286 IonicContact OE1-CZ 3.41Å; E1278-R1286 IonicContact OE1-NH1 3.85Å; E1278-R1286 PolarHBondContact OE1-NH1 2.91Å; E1278-R1286 IonicContact OE1-NH2 3.62Å; E1278-R1286 PolarHBondContact OE1-NH2 3.37Å; E1278-R1286 IonicContact OE2-CZ 2.69Å; E1278-R1286 IonicContact OE2-NH1 2.71Å; E1278-R1286 IonicContact OE2-NH2 3.28Å; E1278-R1286 PolarHBondContact OE2-NH2 2.97Å; I1283-R1286 HydrophobicContact CG2-CG 3.77Å; R1286-H1307 WeakPolarHBondContact CD-O 3.35Å; R1286-H1307 PolarHBondContact NH1-O 2.91Å; R1286-H1307 VanDerWaalsContact NH1-O 3.17Å; R1286-G1308 CarbonylContact C-O 3.57Å; R1286-G1308 WeakPolarHBondContact CA-O 3.47Å; R1286-G1308 WeakPolarHBondContact CB-O 3.31Å |
| 1287 | Y | 76 | Confident | 76.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 140.6 | 164.5 | -54.1 | -48.4 | 0 | 0 | 0 | 111.5 | T1210 I1260 P1294 T1295 N1301 P1302 G1308 I1309 A1310 P1324 | T1210-Y1287 HydrophobicContact CG2-CD1 3.95Å; T1210-Y1287 HydrophobicContact CG2-CE1 4.18Å; I1260-Y1287 HydrophobicContact CD1-CD1 4.04Å; I1260-Y1287 HydrophobicContact CD1-CE1 3.23Å; Y1287-P1294 WeakPolarHBondContact O-CA 3.32Å; Y1287-T1295 PolarHBondContact O-N 3.3Å; Y1287-N1301 HydrophobicContact CD2-CB 4.12Å; Y1287-N1301 VanDerWaalsContact CD2-CG 3.47Å; Y1287-N1301 WeakPolarHBondContact CD2-OD1 3.03Å; Y1287-N1301 HydrophobicContact CG-CB 4.31Å; Y1287-P1302 HydrophobicContact CE1-CG 4.44Å; Y1287-G1308 VanDerWaalsContact CD2-O 3.31Å; Y1287-G1308 WeakPolarHBondContact CD2-O 3.34Å; Y1287-G1308 PolarHBondContact N-O 2.86Å; Y1287-I1309 WeakPolarHBondContact CE2-O 3.48Å; Y1287-A1310 HydrophobicContact CD1-CB 3.97Å; Y1287-A1310 HydrophobicContact CD2-CB 4.38Å; Y1287-A1310 HydrophobicContact CE1-CB 3.38Å; Y1287-A1310 HydrophobicContact CE2-CB 3.95Å; Y1287-A1310 HydrophobicContact CG-CB 4.39Å; Y1287-P1324 HydrophobicContact CE1-CG 4.34Å |
| 1288 | V | 75.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -129.8 | 149.3 | -178 | -61.4 | 0 | 0 | 0 | 0 | 114.3 | A1209 R1211 E1293 T1295 F1300 | A1209-V1288 HydrophobicContact CB-CG2 3.66Å; A1209-V1288 PolarHBondContact O-N 2.96Å; A1209-V1288 VanDerWaalsContact O-N 3.14Å; R1211-V1288 HydrophobicContact CB-CG1 3.87Å; R1211-V1288 HydrophobicContact CG-CG1 3.55Å; V1288-E1293 CarbonylContact C-O 3.6Å; V1288-E1293 WeakPolarHBondContact CA-O 3.42Å; V1288-E1293 WeakPolarHBondContact CB-O 3.23Å; V1288-T1295 VanDerWaalsContact C-CG2 3.5Å; V1288-F1300 WeakPolarHBondContact O-CB 2.95Å |
| 1289 | G | 66.6 | Low | 75 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | trans | -82.7 | -172.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1291 N1292 E1293 | G1289-R1291 PolarHBondContact O-N 3.5Å; G1289-N1292 PolarHBondContact O-N 2.99Å; G1289-E1293 WeakPolarHBondContact CA-OE2 3.31Å; G1289-E1293 PolarHBondContact N-O 3.27Å | ||
| 1290 | E | 65 | Low | 74.6 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 40% | 0.397 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.2 | -174 | -59.9 | 179.8 | 157.1 | 0 | 0 | 115 | H1034 T1035 F1300 | H1034-E1290 PolarHBondContact N-OE1 2.84Å; T1035-E1290 HydrophobicContact CG2-CB 4.42Å; T1035-E1290 HydrophobicContact CG2-CG 4.33Å; E1290-F1300 HydrophobicContact CB-CZ 4.47Å; E1290-F1300 HydrophobicContact CG-CE1 4.24Å; E1290-F1300 HydrophobicContact CG-CE2 3.56Å; E1290-F1300 HydrophobicContact CG-CZ 3.23Å |
| 1291 | R | 67.6 | Low | 74.6 | Confident | 211 Ų | 211 | 38.6 Ų | 38.6 | 80% | 0.796 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | 18.1 | -176 | -49.2 | 176.3 | 179.8 | -176.9 | 0.3 | 111.4 | G1289 E1293 | G1289-R1291 PolarHBondContact O-N 3.5Å; R1291-E1293 VanDerWaalsContact CA-OE2 3.32Å; R1291-E1293 WeakPolarHBondContact CA-OE2 3.49Å; R1291-E1293 WeakPolarHBondContact CB-OE2 3.01Å; R1291-E1293 PolarHBondContact N-OE2 2.85Å; R1291-E1293 PolarHBondContact O-N 3.06Å |
| 1292 | N | 66.1 | Low | 74.2 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 57.4 | 25.9 | -173.5 | -68 | -9.8 | 0 | 0 | 0 | 113.6 | R1211 Q1253 G1289 | R1211-N1292 WeakPolarHBondContact CD-O 3.42Å; R1211-N1292 PolarHBondContact NH1-O 3.4Å; Q1253-N1292 PolarHBondContact O-ND2 3.38Å; Q1253-N1292 VanDerWaalsContact O-ND2 3.16Å; G1289-N1292 PolarHBondContact O-N 2.99Å |
| 1293 | E | 78.1 | Confident | 73.7 | Confident | 77 Ų | 77 | 34.2 Ų | 34.2 | 36% | 0.36 | 16% | 0.161 | S | C | . | . | trans | -84.5 | 145 | 171 | 74.2 | -81.4 | -118.3 | 0 | 0 | 111.5 | V1288 G1289 R1291 T1295 | V1288-E1293 CarbonylContact C-O 3.6Å; V1288-E1293 WeakPolarHBondContact CA-O 3.42Å; V1288-E1293 WeakPolarHBondContact CB-O 3.23Å; G1289-E1293 WeakPolarHBondContact CA-OE2 3.31Å; G1289-E1293 PolarHBondContact N-O 3.27Å; R1291-E1293 VanDerWaalsContact CA-OE2 3.32Å; R1291-E1293 WeakPolarHBondContact CA-OE2 3.49Å; R1291-E1293 WeakPolarHBondContact CB-OE2 3.01Å; R1291-E1293 PolarHBondContact N-OE2 2.85Å; R1291-E1293 PolarHBondContact O-N 3.06Å; E1293-T1295 PolarHBondContact O-N 2.8Å | ||
| 1294 | P | 81 | Confident | 73.2 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 33% | 0.331 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -63.6 | 134.1 | 175.5 | -16.2 | 31.4 | 0 | 0 | 0 | 110.1 | Y1287 | Y1287-P1294 WeakPolarHBondContact O-CA 3.32Å |
| 1295 | T | 77.3 | Confident | 73.1 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 14% | 0.135 | 16% | 0.162 | C | C | . | . | trans | -130.2 | 154.2 | -172.1 | -168.6 | 0 | 0 | 0 | 0 | 113.4 | Y1287 V1288 E1293 R1297 F1300 N1301 G1308 | Y1287-T1295 PolarHBondContact O-N 3.3Å; V1288-T1295 VanDerWaalsContact C-CG2 3.5Å; E1293-T1295 PolarHBondContact O-N 2.8Å; T1295-R1297 WeakPolarHBondContact OG1-CB 3.36Å; T1295-R1297 PolarHBondContact OG1-N 3.29Å; T1295-R1297 VanDerWaalsContact OG1-N 3.07Å; T1295-F1300 HydrophobicContact CG2-CB 3.56Å; T1295-F1300 HydrophobicContact CG2-CG 4.49Å; T1295-N1301 HydrophobicContact CG2-CB 4.21Å; T1295-N1301 WeakPolarHBondContact O-CB 3.26Å; T1295-N1301 PolarHBondContact O-ND2 3.17Å; T1295-G1308 VanDerWaalsContact O-CA 3.24Å; T1295-G1308 WeakPolarHBondContact O-CA 3.47Å | ||
| 1296 | V | 82.2 | Confident | 73.2 | Confident | 85 Ų | 85 | 35.3 Ų | 35.3 | 52% | 0.515 | 17% | 0.17 | S | C | . | . | trans | -111.8 | -4.4 | 166.7 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1297 | R | 74.8 | Confident | 73.2 | Confident | 87 Ų | 87 | 38.4 Ų | 38.4 | 33% | 0.328 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -72.1 | 134.1 | 177.6 | -176.6 | -178.5 | 174.3 | -151.4 | -0.2 | 110.3 | E1029 S1032 T1295 F1300 N1301 | E1029-R1297 WeakPolarHBondContact OE2-CA 3.47Å; E1029-R1297 WeakPolarHBondContact OE2-CG 3.47Å; S1032-R1297 PolarHBondContact O-NH2 3.11Å; S1032-R1297 PolarHBondContact OG-NH2 3.27Å; T1295-R1297 WeakPolarHBondContact OG1-CB 3.36Å; T1295-R1297 PolarHBondContact OG1-N 3.29Å; T1295-R1297 VanDerWaalsContact OG1-N 3.07Å; R1297-F1300 PolarHBondContact O-N 2.92Å; R1297-N1301 PolarHBondContact O-N 3.2Å |
| 1298 | Y | 65.2 | Low | 73.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 151.9 | -178.5 | 169.3 | -91.6 | 0 | 0 | 0 | 111.6 | C1026 E1029 E1030 H1200 K1204 F1206 N1301 | C1026-Y1298 HydrophobicContact CB-CD1 3.8Å; C1026-Y1298 HydrophobicContact CB-CE1 4.05Å; C1026-Y1298 HydrophobicContact CB-CG 4.13Å; C1026-Y1298 WeakPolarHBondContact O-CD1 3.3Å; C1026-Y1298 WeakPolarHBondContact O-CE1 3.35Å; E1029-Y1298 HydrophobicContact CB-CD1 4.39Å; E1029-Y1298 PolarHBondContact OE2-N 2.91Å; E1030-Y1298 HydrophobicContact CB-CD1 4.33Å; E1030-Y1298 HydrophobicContact CB-CE1 3.77Å; E1030-Y1298 HydrophobicContact CG-CD1 4.39Å; E1030-Y1298 HydrophobicContact CG-CE1 3.58Å; E1030-Y1298 VanDerWaalsContact OE2-CE1 3.27Å; E1030-Y1298 WeakPolarHBondContact OE2-CE1 3.46Å; E1030-Y1298 PolarHBondContact OE2-OH 2.91Å; H1200-Y1298 AromaticContact CD2-CD2 3.69Å; H1200-Y1298 AromaticContact CD2-CE2 3.5Å; H1200-Y1298 VanDerWaalsContact CD2-CE2 3.5Å; H1200-Y1298 WeakPolarHBondContact CD2-CE2 3.2Å; H1200-Y1298 AromaticContact CE1-CD2 3.33Å; H1200-Y1298 WeakPolarHBondContact CE1-CD2 3.47Å; H1200-Y1298 AromaticContact CE1-CE2 3.93Å; H1200-Y1298 AromaticContact CE1-CG 3.87Å; H1200-Y1298 AromaticContact NE2-CD2 3.11Å; H1200-Y1298 WeakPolarHBondContact NE2-CD2 3.44Å; H1200-Y1298 AromaticContact NE2-CE2 3.45Å; H1200-Y1298 WeakPolarHBondContact NE2-CE2 3.3Å; K1204-Y1298 WeakPolarHBondContact CD-OH 3.22Å; K1204-Y1298 WeakPolarHBondContact CE-OH 3.46Å; K1204-Y1298 PolarHBondContact NZ-OH 2.87Å; F1206-Y1298 AromaticContact CE2-CE2 3.77Å; F1206-Y1298 HydrophobicContact CE2-CE2 3.77Å; F1206-Y1298 AromaticContact CE2-CZ 3.87Å; F1206-Y1298 VanDerWaalsContact CE2-OH 3.27Å; F1206-Y1298 WeakPolarHBondContact CE2-OH 3.44Å; F1206-Y1298 HydrophobicContact CZ-CE2 4.27Å; F1206-Y1298 AromaticContact CZ-CZ 3.92Å; F1206-Y1298 WeakPolarHBondContact CZ-OH 3.37Å; Y1298-N1301 WeakPolarHBondContact CA-O 3.34Å |
| 1299 | P | 67.2 | Low | 73.8 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.7 | 7.5 | -11.9 | 30.3 | -37.7 | 0 | 0 | 0 | 116.3 | E1030 L1033 F1206 T1208 N1301 | E1030-P1299 HydrophobicContact CG-CG 3.88Å; L1033-P1299 HydrophobicContact CD1-CG 3.76Å; F1206-P1299 HydrophobicContact CD1-CB 4Å; F1206-P1299 HydrophobicContact CD2-CB 4.18Å; F1206-P1299 HydrophobicContact CE1-CB 3.88Å; F1206-P1299 HydrophobicContact CE1-CG 4.22Å; F1206-P1299 HydrophobicContact CE2-CB 4.04Å; F1206-P1299 HydrophobicContact CG-CB 4.16Å; F1206-P1299 HydrophobicContact CZ-CB 3.91Å; T1208-P1299 WeakPolarHBondContact CG2-O 3.28Å; P1299-N1301 CarbonylContact O-C 3.31Å; P1299-N1301 PolarHBondContact O-N 2.93Å |
| 1300 | F | 70.8 | Confident | 74.4 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -44.6 | 173 | -73.2 | -49.2 | 0 | 0 | 0 | 111.8 | L1033 T1035 V1288 E1290 T1295 R1297 | L1033-F1300 HydrophobicContact CB-CE1 4.04Å; L1033-F1300 HydrophobicContact CB-CE2 3.96Å; L1033-F1300 HydrophobicContact CB-CZ 3.55Å; L1033-F1300 HydrophobicContact CD1-CB 4.32Å; L1033-F1300 HydrophobicContact CD1-CD1 3.83Å; L1033-F1300 HydrophobicContact CD1-CD2 3.51Å; L1033-F1300 HydrophobicContact CD1-CE1 3.88Å; L1033-F1300 HydrophobicContact CD1-CE2 3.59Å; L1033-F1300 HydrophobicContact CD1-CG 3.6Å; L1033-F1300 HydrophobicContact CD1-CZ 3.73Å; L1033-F1300 HydrophobicContact CD2-CD2 3.77Å; L1033-F1300 HydrophobicContact CD2-CE2 3.31Å; L1033-F1300 HydrophobicContact CD2-CZ 3.88Å; L1033-F1300 HydrophobicContact CG-CD2 4.17Å; L1033-F1300 HydrophobicContact CG-CE1 4.46Å; L1033-F1300 HydrophobicContact CG-CE2 3.79Å; L1033-F1300 HydrophobicContact CG-CZ 3.91Å; T1035-F1300 HydrophobicContact CG2-CE1 4Å; T1035-F1300 HydrophobicContact CG2-CZ 4.43Å; V1288-F1300 WeakPolarHBondContact O-CB 2.95Å; E1290-F1300 HydrophobicContact CB-CZ 4.47Å; E1290-F1300 HydrophobicContact CG-CE1 4.24Å; E1290-F1300 HydrophobicContact CG-CE2 3.56Å; E1290-F1300 HydrophobicContact CG-CZ 3.23Å; T1295-F1300 HydrophobicContact CG2-CB 3.56Å; T1295-F1300 HydrophobicContact CG2-CG 4.49Å; R1297-F1300 PolarHBondContact O-N 2.92Å |
| 1301 | N | 75.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -96.5 | 106.7 | 159.6 | -174.6 | -31.2 | 0 | 0 | 0 | 107.5 | Y1287 T1295 R1297 Y1298 P1299 N1303 G1304 S1305 | Y1287-N1301 HydrophobicContact CD2-CB 4.12Å; Y1287-N1301 VanDerWaalsContact CD2-CG 3.47Å; Y1287-N1301 WeakPolarHBondContact CD2-OD1 3.03Å; Y1287-N1301 HydrophobicContact CG-CB 4.31Å; T1295-N1301 HydrophobicContact CG2-CB 4.21Å; T1295-N1301 WeakPolarHBondContact O-CB 3.26Å; T1295-N1301 PolarHBondContact O-ND2 3.17Å; R1297-N1301 PolarHBondContact O-N 3.2Å; Y1298-N1301 WeakPolarHBondContact CA-O 3.34Å; P1299-N1301 CarbonylContact O-C 3.31Å; P1299-N1301 PolarHBondContact O-N 2.93Å; N1301-N1303 PolarHBondContact O-N 2.9Å; N1301-N1303 PolarHBondContact OD1-N 3.16Å; N1301-N1303 PolarHBondContact OD1-OD1 3.09Å; N1301-G1304 WeakPolarHBondContact OD1-CA 3.26Å; N1301-G1304 PolarHBondContact OD1-N 2.88Å; N1301-S1305 PolarHBondContact ND2-N 3.05Å; N1301-S1305 PolarHBondContact ND2-O 3.01Å; N1301-S1305 PolarHBondContact OD1-N 3.23Å |
| 1302 | P | 69.1 | Low | 75.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -82.4 | 2.8 | -168.2 | 33.1 | -35.7 | 0 | 0 | 0 | 113.5 | H1200 F1206 T1208 I1260 T1262 Y1287 | H1200-P1302 PolarHBondContact CD2-O 3.39Å; H1200-P1302 VanDerWaalsContact CD2-O 3.26Å; H1200-P1302 VanDerWaalsContact NE2-C 3.35Å; H1200-P1302 PolarHBondContact NE2-O 2.88Å; F1206-P1302 HydrophobicContact CB-CB 4.07Å; F1206-P1302 HydrophobicContact CD2-CB 3.77Å; F1206-P1302 HydrophobicContact CG-CB 4.3Å; T1208-P1302 HydrophobicContact CG2-CB 4.12Å; T1208-P1302 HydrophobicContact CG2-CG 3.97Å; I1260-P1302 HydrophobicContact CB-CG 4.05Å; I1260-P1302 HydrophobicContact CD1-CG 4.19Å; I1260-P1302 HydrophobicContact CG2-CG 3.88Å; T1262-P1302 WeakPolarHBondContact CB-O 3.44Å; T1262-P1302 HydrophobicContact CG2-CB 4.39Å; T1262-P1302 WeakPolarHBondContact CG2-O 3.42Å; Y1287-P1302 HydrophobicContact CE1-CG 4.44Å |
| 1303 | N | 69.4 | Low | 76.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -140.1 | -14.7 | -177.6 | 56.8 | 44.1 | 0 | 0 | 0 | 115.2 | E1199 H1200 T1262 G1264 R1265 N1301 S1305 | E1199-N1303 WeakPolarHBondContact CB-O 3.4Å; H1200-N1303 WeakPolarHBondContact NE2-CA 3.36Å; T1262-N1303 WeakPolarHBondContact O-CB 3.44Å; G1264-N1303 VanDerWaalsContact C-CG 3.46Å; G1264-N1303 PolarHBondContact O-ND2 3.49Å; R1265-N1303 WeakPolarHBondContact CA-OD1 3.35Å; R1265-N1303 HydrophobicContact CB-CB 3.99Å; R1265-N1303 VanDerWaalsContact CB-O 3.29Å; R1265-N1303 WeakPolarHBondContact CB-O 3.34Å; R1265-N1303 WeakPolarHBondContact CD-O 3.36Å; N1301-N1303 PolarHBondContact O-N 2.9Å; N1301-N1303 PolarHBondContact OD1-N 3.16Å; N1301-N1303 PolarHBondContact OD1-OD1 3.09Å; N1303-S1305 PolarHBondContact OD1-N 3.11Å; N1303-S1305 PolarHBondContact OD1-OG 2.93Å; N1303-S1305 VanDerWaalsContact OD1-OG 3.09Å |
| 1304 | G | 71.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | trans | 93 | 18.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1199 R1265 N1301 | E1199-G1304 WeakPolarHBondContact OE2-CA 3.46Å; R1265-G1304 WeakPolarHBondContact CD-O 3.46Å; R1265-G1304 PolarHBondContact NE-O 3.05Å; R1265-G1304 PolarHBondContact NH1-O 2.89Å; N1301-G1304 WeakPolarHBondContact OD1-CA 3.26Å; N1301-G1304 PolarHBondContact OD1-N 2.88Å | ||
| 1305 | S | 74.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -52 | 124.2 | 174.1 | -81.9 | 0 | 0 | 0 | 0 | 111.8 | R1265 F1266 N1301 N1303 G1308 I1309 | R1265-S1305 WeakPolarHBondContact CA-OG 3.3Å; F1266-S1305 PolarHBondContact N-OG 3.19Å; N1301-S1305 PolarHBondContact ND2-N 3.05Å; N1301-S1305 PolarHBondContact ND2-O 3.01Å; N1301-S1305 PolarHBondContact OD1-N 3.23Å; N1303-S1305 PolarHBondContact OD1-N 3.11Å; N1303-S1305 PolarHBondContact OD1-OG 2.93Å; N1303-S1305 VanDerWaalsContact OD1-OG 3.09Å; S1305-G1308 PolarHBondContact O-N 2.89Å; S1305-G1308 VanDerWaalsContact O-N 3.16Å; S1305-I1309 WeakPolarHBondContact CB-O 3.17Å; S1305-I1309 PolarHBondContact OG-O 2.92Å | ||
| 1306 | P | 80.1 | Confident | 76.5 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 20% | 0.195 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -62.7 | 149.3 | 178.4 | 31.1 | -35.3 | 0 | 0 | 0 | 109.8 | F1266 F1268 G1308 I1309 | F1266-P1306 WeakPolarHBondContact O-CD 3.39Å; F1268-P1306 HydrophobicContact CD2-CG 4.07Å; F1268-P1306 HydrophobicContact CE2-CG 3.53Å; P1306-G1308 PolarHBondContact O-N 3.28Å; P1306-I1309 VanDerWaalsContact O-CG1 3.3Å; P1306-I1309 WeakPolarHBondContact O-CG1 3.09Å; P1306-I1309 PolarHBondContact O-N 3.3Å; P1306-I1309 VanDerWaalsContact O-N 3.11Å |
| 1307 | H | 84.9 | Confident | 76.3 | Confident | 89 Ų | 89 | 17.5 Ų | 17.5 | 41% | 0.412 | 9% | 0.091 | S | C | . | . | G | 310 helix | trans | 54 | 19.3 | -175.6 | -59.7 | -161.9 | 0 | 0 | 0 | 114 | E1278 R1286 I1309 | E1278-H1307 IonicContact OE1-CE1 3.31Å; E1278-H1307 IonicContact OE1-CG 3.08Å; E1278-H1307 IonicContact OE1-ND1 2.71Å; E1278-H1307 PolarHBondContact OE1-ND1 3.29Å; R1286-H1307 WeakPolarHBondContact CD-O 3.35Å; R1286-H1307 PolarHBondContact NH1-O 2.91Å; R1286-H1307 VanDerWaalsContact NH1-O 3.17Å; H1307-I1309 VanDerWaalsContact C-N 3.35Å; H1307-I1309 HydrophobicContact CB-CG1 4.5Å; H1307-I1309 PolarHBondContact O-N 3.5Å |
| 1308 | G | 79.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | 72 | 14.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1286 Y1287 T1295 S1305 P1306 A1310 | R1286-G1308 CarbonylContact C-O 3.57Å; R1286-G1308 WeakPolarHBondContact CA-O 3.47Å; R1286-G1308 WeakPolarHBondContact CB-O 3.31Å; Y1287-G1308 VanDerWaalsContact CD2-O 3.31Å; Y1287-G1308 WeakPolarHBondContact CD2-O 3.34Å; Y1287-G1308 PolarHBondContact N-O 2.86Å; T1295-G1308 VanDerWaalsContact O-CA 3.24Å; T1295-G1308 WeakPolarHBondContact O-CA 3.47Å; S1305-G1308 PolarHBondContact O-N 2.89Å; S1305-G1308 VanDerWaalsContact O-N 3.16Å; P1306-G1308 PolarHBondContact O-N 3.28Å; G1308-A1310 PolarHBondContact O-N 2.9Å |
| 1309 | I | 83.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 121.4 | -170.3 | -63.9 | 166.3 | 0 | 0 | 0 | 112.5 | F1266 F1268 L1274 I1283 Y1287 S1305 P1306 H1307 I1312 | F1266-I1309 HydrophobicContact CB-CB 4.36Å; F1266-I1309 HydrophobicContact CB-CG2 4.06Å; F1266-I1309 HydrophobicContact CD1-CG2 4.14Å; F1266-I1309 HydrophobicContact CD2-CB 4.26Å; F1266-I1309 HydrophobicContact CD2-CG2 3.6Å; F1266-I1309 WeakPolarHBondContact CD2-O 3.28Å; F1266-I1309 HydrophobicContact CE1-CG2 4.5Å; F1266-I1309 HydrophobicContact CE2-CG2 4.01Å; F1266-I1309 HydrophobicContact CG-CB 4.4Å; F1266-I1309 HydrophobicContact CG-CG2 3.66Å; F1266-I1309 HydrophobicContact CZ-CG2 4.43Å; F1268-I1309 HydrophobicContact CE2-CD1 4.18Å; F1268-I1309 HydrophobicContact CZ-CD1 3.61Å; L1274-I1309 HydrophobicContact CD1-CD1 3.53Å; I1283-I1309 HydrophobicContact CD1-CD1 3.73Å; I1283-I1309 HydrophobicContact CD1-CG1 3.95Å; I1283-I1309 HydrophobicContact CG1-CD1 4.25Å; I1283-I1309 HydrophobicContact CG1-CG1 4.24Å; I1283-I1309 HydrophobicContact CG2-CB 4.39Å; I1283-I1309 HydrophobicContact CG2-CG1 3.81Å; I1283-I1309 HydrophobicContact CG2-CG2 4.2Å; Y1287-I1309 WeakPolarHBondContact CE2-O 3.48Å; S1305-I1309 WeakPolarHBondContact CB-O 3.17Å; S1305-I1309 PolarHBondContact OG-O 2.92Å; P1306-I1309 VanDerWaalsContact O-CG1 3.3Å; P1306-I1309 WeakPolarHBondContact O-CG1 3.09Å; P1306-I1309 PolarHBondContact O-N 3.3Å; P1306-I1309 VanDerWaalsContact O-N 3.11Å; H1307-I1309 VanDerWaalsContact C-N 3.35Å; H1307-I1309 HydrophobicContact CB-CG1 4.5Å; H1307-I1309 PolarHBondContact O-N 3.5Å; I1309-I1312 HydrophobicContact CG2-CD1 4.4Å; I1309-I1312 HydrophobicContact CG2-CG1 4Å |
| 1310 | A | 78.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -16.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1210 I1285 Y1287 G1308 M1323 P1324 | T1210-A1310 HydrophobicContact CG2-CB 4.48Å; I1285-A1310 HydrophobicContact CB-CB 4.27Å; I1285-A1310 HydrophobicContact CG2-CB 3.95Å; I1285-A1310 WeakPolarHBondContact O-CB 3.27Å; I1285-A1310 PolarHBondContact O-N 3.04Å; Y1287-A1310 HydrophobicContact CD1-CB 3.97Å; Y1287-A1310 HydrophobicContact CD2-CB 4.38Å; Y1287-A1310 HydrophobicContact CE1-CB 3.38Å; Y1287-A1310 HydrophobicContact CE2-CB 3.95Å; Y1287-A1310 HydrophobicContact CG-CB 4.39Å; G1308-A1310 PolarHBondContact O-N 2.9Å; A1310-M1323 PolarHBondContact O-N 3.32Å; A1310-M1323 VanDerWaalsContact O-N 3.08Å; A1310-P1324 HydrophobicContact CB-CG 4.04Å; A1310-P1324 WeakPolarHBondContact O-CD 3.35Å |
| 1311 | G | 82.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 158.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1284 I1285 A1321 | P1284-G1311 WeakPolarHBondContact CD-O 3.4Å; I1285-G1311 PolarHBondContact O-N 3Å; G1311-A1321 CarbonylContact C-O 3.58Å; G1311-A1321 WeakPolarHBondContact CA-O 3.2Å |
| 1312 | I | 82.6 | Confident | 80 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.9 | 179.6 | -67.1 | 178.3 | 0 | 0 | 0 | 109.1 | I1171 F1194 F1266 F1268 L1277 L1282 I1309 A1321 | I1171-I1312 HydrophobicContact CB-CG2 4.18Å; I1171-I1312 HydrophobicContact CD1-CB 4.02Å; I1171-I1312 HydrophobicContact CD1-CG2 4.13Å; F1194-I1312 HydrophobicContact CD1-CD1 4.2Å; F1194-I1312 HydrophobicContact CE1-CD1 4.28Å; F1266-I1312 HydrophobicContact CD1-CD1 3.38Å; F1266-I1312 HydrophobicContact CD1-CG1 3.94Å; F1266-I1312 HydrophobicContact CE1-CB 4.2Å; F1266-I1312 HydrophobicContact CE1-CD1 3.55Å; F1266-I1312 HydrophobicContact CE1-CG1 3.67Å; F1266-I1312 HydrophobicContact CG-CD1 4.36Å; F1266-I1312 HydrophobicContact CZ-CG1 4.35Å; F1268-I1312 HydrophobicContact CE1-CD1 4.34Å; L1277-I1312 HydrophobicContact CD1-CD1 3.78Å; L1277-I1312 HydrophobicContact CD2-CD1 4.5Å; L1277-I1312 HydrophobicContact CD2-CG2 3.77Å; L1282-I1312 WeakPolarHBondContact O-CA 2.96Å; I1309-I1312 HydrophobicContact CG2-CD1 4.4Å; I1309-I1312 HydrophobicContact CG2-CG1 4Å; I1312-A1321 PolarHBondContact N-O 3.3Å; I1312-A1321 PolarHBondContact O-N 3.49Å |
| 1313 | C | 81.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 161.2 | 176.4 | -150.6 | 0 | 0 | 0 | 0 | 112.7 | Y1174 F1219 L1282 P1284 C1319 L1320 | Y1174-C1313 PolarHBondContact OH-O 2.99Å; F1219-C1313 HydrophobicContact CE1-CB 3.96Å; F1219-C1313 HydrophobicContact CZ-CB 4.11Å; L1282-C1313 PolarHBondContact O-N 2.95Å; P1284-C1313 HydrophobicContact CG-CB 4.25Å; C1313-C1319 CarbonylContact C-O 3.57Å; C1313-C1319 VanDerWaalsContact CA-O 3.32Å; C1313-C1319 WeakPolarHBondContact CA-O 3.36Å; C1313-C1319 PolarHBondContact SG-O 2.85Å; C1313-L1320 HydrophobicContact CB-CD1 4.01Å |
| 1314 | S | 80.4 | Confident | 81 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -70.1 | 160.7 | 168.4 | 58.2 | 0 | 0 | 0 | 0 | 112 | D1316 G1317 R1318 C1319 | S1314-D1316 VanDerWaalsContact C-N 3.25Å; S1314-D1316 VanDerWaalsContact CB-OD1 3.29Å; S1314-D1316 WeakPolarHBondContact CB-OD1 3.42Å; S1314-D1316 PolarHBondContact O-N 3.45Å; S1314-D1316 PolarHBondContact OG-OD1 2.92Å; S1314-G1317 PolarHBondContact O-N 3.34Å; S1314-R1318 PolarHBondContact OG-N 3.13Å; S1314-C1319 PolarHBondContact N-O 2.85Å; S1314-C1319 PolarHBondContact OG-N 3.12Å | ||
| 1315 | P | 76.8 | Confident | 81.6 | Confident | 50 Ų | 50 | 13.4 Ų | 13.4 | 33% | 0.325 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.1 | -178.2 | -21.1 | 33.2 | 0 | 0 | 0 | 114.1 | Y1174 L1182 L1282 G1317 | Y1174-P1315 HydrophobicContact CD1-CG 4.17Å; Y1174-P1315 HydrophobicContact CE1-CG 3.61Å; L1182-P1315 HydrophobicContact CD1-CB 4.05Å; L1182-P1315 HydrophobicContact CD1-CG 3.51Å; L1282-P1315 HydrophobicContact CD1-CG 4.31Å; P1315-G1317 VanDerWaalsContact C-N 3.33Å |
| 1316 | D | 77.4 | Confident | 82 | Confident | 72 Ų | 72 | 13.4 Ų | 13.4 | 39% | 0.385 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -0.5 | 175.7 | 64.7 | -3.5 | 0 | 0 | 0 | 113.4 | S1314 R1318 | S1314-D1316 VanDerWaalsContact C-N 3.25Å; S1314-D1316 VanDerWaalsContact CB-OD1 3.29Å; S1314-D1316 WeakPolarHBondContact CB-OD1 3.42Å; S1314-D1316 PolarHBondContact O-N 3.45Å; S1314-D1316 PolarHBondContact OG-OD1 2.92Å; D1316-R1318 PolarHBondContact O-N 3.5Å; D1316-R1318 PolarHBondContact OD1-N 3.22Å; D1316-R1318 IonicContact OD2-CZ 3.52Å; D1316-R1318 IonicContact OD2-NE 2.74Å; D1316-R1318 PolarHBondContact OD2-NE 3.24Å; D1316-R1318 IonicContact OD2-NH2 3.89Å; D1316-R1318 PolarHBondContact OD2-NH2 3.45Å |
| 1317 | G | 76.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 12 Ų | 12 | 6% | 0.062 | 6% | 0.063 | C | C | . | . | S | Bend | trans | 70.7 | 7.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | F1219 L1221 S1314 P1315 | F1219-G1317 VanDerWaalsContact CE1-CA 3.4Å; L1221-G1317 VanDerWaalsContact CD2-O 3.27Å; L1221-G1317 WeakPolarHBondContact CD2-O 3.44Å; S1314-G1317 PolarHBondContact O-N 3.34Å; P1315-G1317 VanDerWaalsContact C-N 3.33Å |
| 1318 | R | 85.6 | Confident | 82.7 | Confident | 26 Ų | 26 | 7.9 Ų | 7.9 | 10% | 0.098 | 4% | 0.044 | C | C | . | . | trans | -89.7 | -23.7 | -174.8 | -63.3 | -174.6 | -51.9 | 111.1 | -1.1 | 115 | I1148 R1150 P1151 T1153 F1154 I1155 S1314 D1316 W1361 | I1148-R1318 PolarHBondContact O-NH1 2.83Å; I1148-R1318 PolarHBondContact O-NH2 3.19Å; R1150-R1318 PolarHBondContact O-NH1 3.37Å; P1151-R1318 WeakPolarHBondContact O-CD 3.09Å; T1153-R1318 WeakPolarHBondContact O-CD 3.23Å; T1153-R1318 PolarHBondContact O-NH1 3.38Å; T1153-R1318 PolarHBondContact OG1-NH1 3.26Å; T1153-R1318 VanDerWaalsContact OG1-NH1 3.16Å; F1154-R1318 CarbonylContact C-O 3.46Å; F1154-R1318 VanDerWaalsContact CA-O 3.28Å; F1154-R1318 WeakPolarHBondContact CA-O 3.26Å; F1154-R1318 WeakPolarHBondContact CB-O 3.35Å; I1155-R1318 PolarHBondContact N-O 3.13Å; S1314-R1318 PolarHBondContact OG-N 3.13Å; D1316-R1318 PolarHBondContact O-N 3.5Å; D1316-R1318 PolarHBondContact OD1-N 3.22Å; D1316-R1318 IonicContact OD2-CZ 3.52Å; D1316-R1318 IonicContact OD2-NE 2.74Å; D1316-R1318 PolarHBondContact OD2-NE 3.24Å; D1316-R1318 IonicContact OD2-NH2 3.89Å; D1316-R1318 PolarHBondContact OD2-NH2 3.45Å; R1318-W1361 HydrophobicContact CG-CH2 4.44Å; R1318-W1361 HydrophobicContact CG-CZ2 4.15Å | ||
| 1319 | C | 88.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.007 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.6 | 178.7 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | I1155 M1165 I1170 C1313 S1314 | I1155-C1319 HydrophobicContact CB-CB 4.41Å; I1155-C1319 CarbonylContact O-C 3.56Å; I1155-C1319 WeakPolarHBondContact O-CA 3.4Å; M1165-C1319 HydrophobicContact CE-CB 3.77Å; I1170-C1319 HydrophobicContact CG2-CB 3.9Å; C1313-C1319 CarbonylContact C-O 3.57Å; C1313-C1319 VanDerWaalsContact CA-O 3.32Å; C1313-C1319 WeakPolarHBondContact CA-O 3.36Å; C1313-C1319 PolarHBondContact SG-O 2.85Å; S1314-C1319 PolarHBondContact N-O 2.85Å; S1314-C1319 PolarHBondContact OG-N 3.12Å |
| 1320 | L | 87.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.1 | -179.1 | 179.1 | 56.2 | 0 | 0 | 0 | 111.4 | I1155 L1156 G1157 F1222 P1284 C1313 L1322 F1354 | I1155-L1320 PolarHBondContact O-N 3.17Å; L1156-L1320 CarbonylContact C-O 3.21Å; L1156-L1320 WeakPolarHBondContact CA-O 3.49Å; L1156-L1320 HydrophobicContact CD1-CB 4.36Å; L1156-L1320 HydrophobicContact CD1-CG 4.33Å; G1157-L1320 PolarHBondContact N-O 3.2Å; F1222-L1320 HydrophobicContact CB-CD2 3.63Å; F1222-L1320 HydrophobicContact CD1-CD2 4.39Å; F1222-L1320 HydrophobicContact CD2-CB 3.69Å; F1222-L1320 HydrophobicContact CD2-CD2 3.39Å; F1222-L1320 HydrophobicContact CD2-CG 4.18Å; F1222-L1320 HydrophobicContact CE2-CB 3.74Å; F1222-L1320 HydrophobicContact CE2-CD2 4.12Å; F1222-L1320 HydrophobicContact CG-CD2 3.56Å; P1284-L1320 HydrophobicContact CG-CD1 3.54Å; C1313-L1320 HydrophobicContact CB-CD1 4.01Å; L1320-L1322 HydrophobicContact CD1-CD2 3.79Å; L1320-L1322 HydrophobicContact CD1-CG 4.43Å; L1320-L1322 HydrophobicContact CD2-CD2 4.28Å; L1320-L1322 HydrophobicContact CD2-CG 4.41Å; L1320-L1322 HydrophobicContact CG-CD2 4.01Å; L1320-L1322 HydrophobicContact CG-CG 4.13Å; L1320-F1354 HydrophobicContact CD2-CE2 3.56Å; L1320-F1354 HydrophobicContact CD2-CZ 3.59Å |
| 1321 | A | 85.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1157 C1162 M1165 I1171 G1311 I1312 | G1157-A1321 CarbonylContact O-C 3.55Å; G1157-A1321 WeakPolarHBondContact O-CA 3.37Å; C1162-A1321 HydrophobicContact CB-CB 4Å; M1165-A1321 HydrophobicContact CB-CB 4.35Å; M1165-A1321 HydrophobicContact CE-CB 4.32Å; M1165-A1321 HydrophobicContact SD-CB 4.16Å; I1171-A1321 HydrophobicContact CD1-CB 3.6Å; I1171-A1321 HydrophobicContact CG1-CB 4.1Å; I1171-A1321 HydrophobicContact CG2-CB 4.35Å; G1311-A1321 CarbonylContact C-O 3.58Å; G1311-A1321 WeakPolarHBondContact CA-O 3.2Å; I1312-A1321 PolarHBondContact N-O 3.3Å; I1312-A1321 PolarHBondContact O-N 3.49Å |
| 1322 | L | 84.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.5 | -177 | -60.4 | -172.1 | 0 | 0 | 0 | 111.4 | G1157 V1158 C1159 C1162 I1285 L1320 P1326 F1354 | G1157-L1322 PolarHBondContact O-N 3.12Å; V1158-L1322 CarbonylContact C-O 3.47Å; V1158-L1322 WeakPolarHBondContact CA-O 3.35Å; C1159-L1322 PolarHBondContact N-O 2.64Å; C1162-L1322 WeakPolarHBondContact CB-O 3.38Å; I1285-L1322 HydrophobicContact CD1-CD1 3.97Å; I1285-L1322 HydrophobicContact CD1-CD2 3.69Å; I1285-L1322 HydrophobicContact CG1-CD2 4.18Å; L1320-L1322 HydrophobicContact CD1-CD2 3.79Å; L1320-L1322 HydrophobicContact CD1-CG 4.43Å; L1320-L1322 HydrophobicContact CD2-CD2 4.28Å; L1320-L1322 HydrophobicContact CD2-CG 4.41Å; L1320-L1322 HydrophobicContact CG-CD2 4.01Å; L1320-L1322 HydrophobicContact CG-CG 4.13Å; L1322-P1326 HydrophobicContact CD1-CG 4.24Å; L1322-F1354 HydrophobicContact CD1-CE1 4.3Å; L1322-F1354 HydrophobicContact CD1-CE2 3.8Å; L1322-F1354 HydrophobicContact CD1-CZ 3.48Å; L1322-F1354 VanDerWaalsContact CD1-CZ 3.48Å; L1322-F1354 HydrophobicContact CG-CZ 4.47Å |
| 1323 | M | 79.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -80.3 | -34.4 | 165.4 | -72.3 | -57.3 | -44.9 | 0 | 0 | 115.2 | C1159 C1162 Q1163 F1196 L1263 F1266 A1310 | C1159-M1323 HydrophobicContact CB-CE 4.12Å; C1162-M1323 HydrophobicContact CB-SD 4.11Å; Q1163-M1323 HydrophobicContact CG-SD 3.98Å; F1196-M1323 HydrophobicContact CD1-CG 3.99Å; F1196-M1323 HydrophobicContact CD1-SD 3.8Å; F1196-M1323 HydrophobicContact CE1-CG 3.69Å; F1196-M1323 HydrophobicContact CE1-SD 3.72Å; F1196-M1323 HydrophobicContact CZ-SD 4.49Å; L1263-M1323 WeakPolarHBondContact O-CE 3.25Å; F1266-M1323 HydrophobicContact CE2-CG 3.89Å; F1266-M1323 HydrophobicContact CZ-CG 4.3Å; A1310-M1323 PolarHBondContact O-N 3.32Å; A1310-M1323 VanDerWaalsContact O-N 3.08Å |
| 1324 | P | 78.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | B | Isolated β-bridge | trans | -66.4 | 155.7 | 171.7 | -12.3 | 20.4 | 0 | 0 | 0 | 113.6 | V1158 L1258 I1260 Y1287 A1310 P1326 | V1158-P1324 WeakPolarHBondContact CG1-O 3.37Å; L1258-P1324 HydrophobicContact CB-CB 3.76Å; L1258-P1324 HydrophobicContact CD1-CB 3.58Å; L1258-P1324 HydrophobicContact CD1-CG 4.01Å; L1258-P1324 HydrophobicContact CD2-CB 3.86Å; L1258-P1324 HydrophobicContact CG-CB 3.93Å; I1260-P1324 HydrophobicContact CD1-CB 3.74Å; I1260-P1324 HydrophobicContact CD1-CG 3.72Å; I1260-P1324 HydrophobicContact CG1-CB 3.91Å; I1260-P1324 HydrophobicContact CG1-CG 4.4Å; Y1287-P1324 HydrophobicContact CE1-CG 4.34Å; A1310-P1324 HydrophobicContact CB-CG 4.04Å; A1310-P1324 WeakPolarHBondContact O-CD 3.35Å; P1324-P1326 WeakPolarHBondContact O-CD 3.48Å |
| 1325 | H | 84.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -103.1 | 84.2 | 179.4 | -71.3 | -89.6 | 0 | 0 | 0 | 114 | C1159 N1259 N1261 E1327 R1328 C1329 | C1159-H1325 WeakPolarHBondContact CB-NE2 3.46Å; N1259-H1325 PolarHBondContact O-N 2.68Å; N1261-H1325 PolarHBondContact ND2-NE2 2.88Å; N1261-H1325 VanDerWaalsContact ND2-NE2 3.11Å; H1325-E1327 VanDerWaalsContact C-OE2 3.24Å; H1325-E1327 VanDerWaalsContact CA-OE2 3.27Å; H1325-E1327 WeakPolarHBondContact CA-OE2 3.4Å; H1325-E1327 IonicContact CE1-OE1 3.25Å; H1325-E1327 IonicContact CG-OE1 2.85Å; H1325-E1327 IonicContact ND1-OE1 3.92Å; H1325-E1327 PolarHBondContact ND1-OE1 3.44Å; H1325-E1327 IonicContact ND1-OE2 3.21Å; H1325-E1327 PolarHBondContact O-N 2.72Å; H1325-R1328 HydrophobicContact CB-CB 3.98Å; H1325-R1328 HydrophobicContact CB-CG 3.93Å; H1325-R1328 PolarHBondContact O-N 2.7Å; H1325-C1329 PolarHBondContact O-SG 2.75Å; H1325-C1329 VanDerWaalsContact O-SG 3.39Å | ||
| 1326 | P | 83.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -63.2 | -24.4 | 174.5 | 27.1 | -35.1 | 0 | 0 | 0 | 113.5 | L1258 L1322 P1324 R1328 C1329 F1330 W1351 F1354 F1355 | L1258-P1326 HydrophobicContact CD2-CB 4.05Å; L1322-P1326 HydrophobicContact CD1-CG 4.24Å; P1324-P1326 WeakPolarHBondContact O-CD 3.48Å; P1326-R1328 VanDerWaalsContact C-N 3.29Å; P1326-R1328 PolarHBondContact O-N 2.88Å; P1326-C1329 PolarHBondContact O-N 3.39Å; P1326-F1330 PolarHBondContact O-N 3.02Å; P1326-W1351 HydrophobicContact CB-CB 3.95Å; P1326-W1351 HydrophobicContact CB-CD2 4.27Å; P1326-W1351 HydrophobicContact CB-CE3 4.01Å; P1326-W1351 HydrophobicContact CB-CG 4.25Å; P1326-F1354 HydrophobicContact CB-CD1 4.48Å; P1326-F1354 HydrophobicContact CG-CD1 4.33Å; P1326-F1354 HydrophobicContact CG-CE1 4.19Å; P1326-F1355 HydrophobicContact CB-CE2 4.05Å; P1326-F1355 HydrophobicContact CB-CZ 3.97Å; P1326-F1355 HydrophobicContact CG-CE2 4.44Å; P1326-F1355 HydrophobicContact CG-CZ 3.86Å |
| 1327 | E | 89.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -75.2 | -13.6 | 177 | 77.7 | -77.5 | -167 | 0 | 0 | 113.9 | E1062 M1063 A1066 V1158 H1325 F1330 F1355 | E1062-E1327 HydrophobicContact CB-CG 4.46Å; E1062-E1327 WeakPolarHBondContact CB-O 3.32Å; E1062-E1327 HydrophobicContact CG-CB 4.38Å; E1062-E1327 HydrophobicContact CG-CG 3.59Å; M1063-E1327 HydrophobicContact CB-CB 4.27Å; M1063-E1327 HydrophobicContact CB-CG 4.09Å; M1063-E1327 HydrophobicContact CE-CB 3.75Å; M1063-E1327 HydrophobicContact CE-CG 3.74Å; M1063-E1327 HydrophobicContact SD-CB 4.07Å; A1066-E1327 HydrophobicContact CB-CB 4.22Å; V1158-E1327 WeakPolarHBondContact CG1-OE1 3.17Å; H1325-E1327 VanDerWaalsContact C-OE2 3.24Å; H1325-E1327 VanDerWaalsContact CA-OE2 3.27Å; H1325-E1327 WeakPolarHBondContact CA-OE2 3.4Å; H1325-E1327 IonicContact CE1-OE1 3.25Å; H1325-E1327 IonicContact CG-OE1 2.85Å; H1325-E1327 IonicContact ND1-OE1 3.92Å; H1325-E1327 PolarHBondContact ND1-OE1 3.44Å; H1325-E1327 IonicContact ND1-OE2 3.21Å; H1325-E1327 PolarHBondContact O-N 2.72Å; E1327-F1330 WeakPolarHBondContact O-CD1 3.38Å; E1327-F1330 WeakPolarHBondContact O-CE1 3.33Å; E1327-F1355 HydrophobicContact CB-CZ 3.93Å |
| 1328 | R | 88.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 9.4 Ų | 9.4 | 1% | 0.011 | 4% | 0.044 | C | C | . | . | G | 310 helix | trans | -96 | 0.2 | 175.1 | -67.8 | 177.6 | 179.4 | -178 | -2.7 | 113 | D680 S682 V683 N1058 E1062 H1325 P1326 | D680-R1328 IonicContact OD1-NH1 3.2Å; D680-R1328 IonicContact OD2-CZ 2.76Å; D680-R1328 IonicContact OD2-NH1 3.75Å; D680-R1328 PolarHBondContact OD2-NH1 3.32Å; S682-R1328 WeakPolarHBondContact OG-CD 3.34Å; V683-R1328 VanDerWaalsContact CB-CZ 3.49Å; N1058-R1328 PolarHBondContact OD1-NH2 2.74Å; E1062-R1328 HydrophobicContact CG-CG 3.77Å; E1062-R1328 IonicContact OE1-CZ 3.38Å; E1062-R1328 IonicContact OE1-NE 3.85Å; E1062-R1328 PolarHBondContact OE1-NE 3.36Å; E1062-R1328 IonicContact OE1-NH2 2.7Å; E1062-R1328 PolarHBondContact OE1-NH2 2.93Å; H1325-R1328 HydrophobicContact CB-CB 3.98Å; H1325-R1328 HydrophobicContact CB-CG 3.93Å; H1325-R1328 PolarHBondContact O-N 2.7Å; P1326-R1328 VanDerWaalsContact C-N 3.29Å; P1326-R1328 PolarHBondContact O-N 2.88Å |
| 1329 | C | 85.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -147.7 | 30.2 | -174.4 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | W1207 H1325 P1326 W1335 S1349 | W1207-C1329 HydrophobicContact CH2-CB 3.45Å; W1207-C1329 VanDerWaalsContact CH2-CB 3.45Å; W1207-C1329 HydrophobicContact CZ3-CB 3.56Å; H1325-C1329 PolarHBondContact O-SG 2.75Å; H1325-C1329 VanDerWaalsContact O-SG 3.39Å; P1326-C1329 PolarHBondContact O-N 3.39Å; C1329-W1335 PolarHBondContact O-NE1 3.15Å; C1329-S1349 WeakPolarHBondContact O-CB 3.29Å; C1329-S1349 PolarHBondContact O-OG 2.68Å |
| 1330 | F | 82.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -74.8 | -23.1 | 174.5 | 64 | -95.2 | 0 | 0 | 0 | 113.5 | F710 A1065 A1066 L1069 P1326 E1327 V1348 S1349 L1352 | F710-F1330 HydrophobicContact CB-CZ 4.45Å; F710-F1330 AromaticContact CD1-CZ 3.94Å; F710-F1330 HydrophobicContact CD1-CZ 3.94Å; A1065-F1330 HydrophobicContact CB-CE1 4.27Å; A1065-F1330 HydrophobicContact CB-CZ 3.82Å; A1066-F1330 HydrophobicContact CB-CB 4.5Å; A1066-F1330 HydrophobicContact CB-CD1 3.63Å; A1066-F1330 HydrophobicContact CB-CE1 3.98Å; A1066-F1330 HydrophobicContact CB-CG 4.07Å; L1069-F1330 HydrophobicContact CD1-CD2 3.77Å; L1069-F1330 HydrophobicContact CD1-CE2 3.27Å; L1069-F1330 HydrophobicContact CD1-CZ 4.14Å; P1326-F1330 PolarHBondContact O-N 3.02Å; E1327-F1330 WeakPolarHBondContact O-CD1 3.38Å; E1327-F1330 WeakPolarHBondContact O-CE1 3.33Å; F1330-V1348 WeakPolarHBondContact O-CB 3.34Å; F1330-S1349 WeakPolarHBondContact O-CB 3.26Å; F1330-S1349 PolarHBondContact O-N 3.47Å; F1330-L1352 HydrophobicContact CB-CB 4.26Å; F1330-L1352 HydrophobicContact CB-CD1 4.03Å; F1330-L1352 HydrophobicContact CD2-CD1 4.12Å; F1330-L1352 HydrophobicContact CG-CD1 4.35Å |
| 1331 | M | 84 | Confident | 77.9 | Confident | 16 Ų | 16 | 23.4 Ų | 23.4 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -91.5 | 156.3 | 169.4 | -55.1 | -58.9 | -82.1 | 0 | 0 | 110.5 | L1069 W1333 Q1334 W1335 V1348 | L1069-M1331 HydrophobicContact CD1-SD 4.32Å; M1331-W1333 HydrophobicContact CB-CD2 4.06Å; M1331-W1333 HydrophobicContact CB-CG 4.11Å; M1331-W1333 HydrophobicContact CB-CZ2 4.24Å; M1331-W1333 HydrophobicContact CG-CZ2 3.88Å; M1331-Q1334 HydrophobicContact CB-CG 4.01Å; M1331-W1335 PolarHBondContact O-NE1 3.07Å; M1331-V1348 HydrophobicContact CE-CG1 3.65Å; M1331-V1348 HydrophobicContact SD-CB 4.04Å; M1331-V1348 HydrophobicContact SD-CG1 3.46Å; M1331-V1348 WeakPolarHBondContact SD-CG1 3.28Å |
| 1332 | L | 79.8 | Confident | 75.9 | Confident | 19 Ų | 19 | 25.3 Ų | 25.3 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -79.3 | -28 | 173.9 | -76.8 | 164.8 | 0 | 0 | 0 | 112.8 | K1038 Q1334 W1335 P1342 C1346 L1347 V1348 | K1038-L1332 HydrophobicContact CD-CD2 4.27Å; L1332-Q1334 PolarHBondContact O-N 3.01Å; L1332-W1335 HydrophobicContact CD2-CD2 4.39Å; L1332-W1335 HydrophobicContact CD2-CE3 4.43Å; L1332-W1335 HydrophobicContact CD2-CH2 4.5Å; L1332-W1335 HydrophobicContact CD2-CZ3 4.43Å; L1332-W1335 WeakPolarHBondContact O-CB 3.44Å; L1332-W1335 PolarHBondContact O-N 3.44Å; L1332-W1335 VanDerWaalsContact O-N 3.14Å; L1332-P1342 HydrophobicContact CD1-CG 3.93Å; L1332-C1346 WeakPolarHBondContact CD1-O 3.34Å; L1332-L1347 PolarHBondContact N-O 2.82Å; L1332-V1348 WeakPolarHBondContact CD1-O 3.2Å |
| 1333 | W | 86.7 | Confident | 73.8 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 8% | 0.083 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.2 | 175 | 60.9 | -110.9 | 0 | 0 | 0 | 113.3 | G685 A688 A707 I829 M1331 W1335 | G685-W1333 WeakPolarHBondContact O-CH2 3.34Å; A688-W1333 HydrophobicContact CB-CE3 3.82Å; A688-W1333 HydrophobicContact CB-CZ3 4.3Å; A707-W1333 HydrophobicContact CB-CH2 3.66Å; A707-W1333 HydrophobicContact CB-CZ2 4.13Å; A707-W1333 HydrophobicContact CB-CZ3 3.95Å; I829-W1333 HydrophobicContact CD1-CD2 3.64Å; I829-W1333 HydrophobicContact CD1-CE3 3.97Å; I829-W1333 HydrophobicContact CD1-CG 3.93Å; I829-W1333 HydrophobicContact CD1-CZ2 4.26Å; I829-W1333 HydrophobicContact CD1-CZ3 4.43Å; I829-W1333 HydrophobicContact CG1-CD2 4.47Å; I829-W1333 HydrophobicContact CG1-CG 4.3Å; M1331-W1333 HydrophobicContact CB-CD2 4.06Å; M1331-W1333 HydrophobicContact CB-CG 4.11Å; M1331-W1333 HydrophobicContact CB-CZ2 4.24Å; M1331-W1333 HydrophobicContact CG-CZ2 3.88Å; W1333-W1335 PolarHBondContact O-N 2.91Å |
| 1334 | Q | 86.9 | Confident | 72.2 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -16.2 | 172.1 | -72.9 | 166.1 | -25 | 0 | 0 | 112.4 | G685 W1207 M1331 L1332 | G685-Q1334 PolarHBondContact O-NE2 3.02Å; W1207-Q1334 WeakPolarHBondContact CH2-O 3.39Å; W1207-Q1334 VanDerWaalsContact CZ2-O 3.27Å; W1207-Q1334 WeakPolarHBondContact CZ2-O 3.16Å; M1331-Q1334 HydrophobicContact CB-CG 4.01Å; L1332-Q1334 PolarHBondContact O-N 3.01Å |
| 1335 | W | 82.5 | Confident | 70.6 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 5% | 0.045 | 24% | 0.235 | C | C | . | . | trans | -90.6 | 118.3 | -174.7 | -67.6 | 27.8 | 0 | 0 | 0 | 110.7 | W1207 P1257 C1329 M1331 L1332 W1333 Y1337 S1349 P1350 W1351 | W1207-W1335 HydrophobicContact CH2-CG 4.41Å; W1207-W1335 HydrophobicContact CZ3-CB 4.23Å; W1207-W1335 AromaticContact CZ3-CD1 3.73Å; W1207-W1335 AromaticContact CZ3-CG 3.87Å; W1207-W1335 HydrophobicContact CZ3-CG 3.87Å; P1257-W1335 HydrophobicContact CG-CD2 4.41Å; P1257-W1335 HydrophobicContact CG-CE3 3.94Å; P1257-W1335 HydrophobicContact CG-CZ3 4.36Å; C1329-W1335 PolarHBondContact O-NE1 3.15Å; M1331-W1335 PolarHBondContact O-NE1 3.07Å; L1332-W1335 HydrophobicContact CD2-CD2 4.39Å; L1332-W1335 HydrophobicContact CD2-CE3 4.43Å; L1332-W1335 HydrophobicContact CD2-CH2 4.5Å; L1332-W1335 HydrophobicContact CD2-CZ3 4.43Å; L1332-W1335 WeakPolarHBondContact O-CB 3.44Å; L1332-W1335 PolarHBondContact O-N 3.44Å; L1332-W1335 VanDerWaalsContact O-N 3.14Å; W1333-W1335 PolarHBondContact O-N 2.91Å; W1335-Y1337 PolarHBondContact O-N 3.08Å; W1335-Y1337 VanDerWaalsContact O-N 3.16Å; W1335-S1349 VanDerWaalsContact CZ2-CB 3.43Å; W1335-S1349 WeakPolarHBondContact CZ2-OG 3.22Å; W1335-P1350 HydrophobicContact CH2-CG 3.53Å; W1335-P1350 HydrophobicContact CZ2-CG 3.67Å; W1335-W1351 AromaticContact CZ2-CD1 3.82Å | ||
| 1336 | P | 73.6 | Confident | 69.1 | Low | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -67.6 | -15.4 | 178 | 29.5 | -37.8 | 0 | 0 | 0 | 113.8 | Q690 C692 W1207 | Q690-P1336 HydrophobicContact CG-CB 3.9Å; C692-P1336 WeakPolarHBondContact O-CB 3.26Å; W1207-P1336 HydrophobicContact CD2-CG 3.88Å; W1207-P1336 VanDerWaalsContact CE2-CD 3.49Å; W1207-P1336 HydrophobicContact CE3-CG 4.47Å; W1207-P1336 HydrophobicContact CG-CG 3.97Å; W1207-P1336 HydrophobicContact CZ2-CG 4.48Å |
| 1337 | Y | 74.4 | Confident | 68.4 | Low | 50 Ų | 50 | 51.9 Ų | 51.9 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | trans | -155.7 | 150.4 | 173.5 | 179.2 | -114.3 | 0 | 0 | 0 | 112.3 | G694 P695 S1036 W1335 | G694-Y1337 WeakPolarHBondContact O-CB 3.36Å; P695-Y1337 VanDerWaalsContact CA-CD1 3.4Å; P695-Y1337 HydrophobicContact CB-CD1 4.1Å; P695-Y1337 HydrophobicContact CB-CE1 3.5Å; P695-Y1337 VanDerWaalsContact CB-CE1 3.5Å; P695-Y1337 HydrophobicContact CG-CE1 4.26Å; S1036-Y1337 WeakPolarHBondContact CB-OH 3.47Å; W1335-Y1337 PolarHBondContact O-N 3.08Å; W1335-Y1337 VanDerWaalsContact O-N 3.16Å | ||
| 1338 | C | 67.6 | Low | 67.6 | Low | 24 Ų | 24 | 52.9 Ų | 52.9 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | trans | -166 | 97.7 | -151.5 | -117.2 | 0 | 0 | 0 | 0 | 109.2 | K1038 | K1038-C1338 WeakPolarHBondContact CE-SG 3.19Å; K1038-C1338 VanDerWaalsContact NZ-C 3.25Å; K1038-C1338 PolarHBondContact NZ-O 3.43Å | ||
| 1339 | S | 56.8 | Low | 66.9 | Low | 28 Ų | 28 | 52.7 Ų | 52.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -50.4 | -69.6 | -157.8 | 63.4 | 0 | 0 | 0 | 0 | 116.7 | S1036 Y1037 E1254 | S1036-S1339 VanDerWaalsContact CB-CB 3.49Å; S1036-S1339 WeakPolarHBondContact OG-CB 3.31Å; Y1037-S1339 WeakPolarHBondContact CA-OG 3.42Å; Y1037-S1339 PolarHBondContact O-N 2.77Å; E1254-S1339 PolarHBondContact OE2-OG 2.76Å; E1254-S1339 VanDerWaalsContact OE2-OG 3.12Å |
| 1340 | E | 53.8 | Low | 66.1 | Low | 125 Ų | 125 | 53.7 Ų | 53.7 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -105.4 | 119.4 | -176 | -59.3 | -176.9 | 135.2 | 0 | 0 | 108.8 | K1038 | K1038-E1340 WeakPolarHBondContact CD-O 3.23Å; K1038-E1340 WeakPolarHBondContact CE-O 3.44Å; K1038-E1340 VanDerWaalsContact CG-O 3.27Å; K1038-E1340 WeakPolarHBondContact CG-O 3.25Å; K1038-E1340 PolarHBondContact NZ-O 2.81Å |
| 1341 | M | 47.1 | Very low | 65.8 | Low | 171 Ų | 171 | 54.6 Ų | 54.6 | 84% | 0.842 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 119 | 177.4 | -72.3 | -66.2 | -83.8 | 0 | 0 | 109.6 | ||
| 1342 | P | 44 | Very low | 65.5 | Low | 39 Ų | 39 | 54.4 Ų | 54.4 | 25% | 0.253 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 161 | 177.5 | 34.3 | -29.6 | 0 | 0 | 0 | 107.1 | K1038 L1332 E1344 C1346 | K1038-P1342 HydrophobicContact CD-CB 4.35Å; K1038-P1342 HydrophobicContact CD-CG 4.11Å; L1332-P1342 HydrophobicContact CD1-CG 3.93Å; P1342-E1344 PolarHBondContact O-N 3.27Å; P1342-C1346 HydrophobicContact CB-CB 4.06Å; P1342-C1346 HydrophobicContact CG-CB 4.32Å |
| 1343 | K | 40.2 | Very low | 65 | Low | 178 Ų | 178 | 54.2 Ų | 54.2 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 140.3 | 171.8 | -62.6 | -178.9 | -178.6 | 179.1 | 0 | 108.9 | T1345 C1346 | K1343-T1345 PolarHBondContact O-N 2.61Å; K1343-C1346 PolarHBondContact O-N 2.75Å |
| 1344 | E | 45.1 | Very low | 64.5 | Low | 183 Ų | 183 | 53.6 Ų | 53.6 | 86% | 0.855 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -24.3 | -170.8 | -63.4 | 153.6 | 166.6 | 0 | 0 | 114 | P1342 C1346 | P1342-E1344 PolarHBondContact O-N 3.27Å; E1344-C1346 PolarHBondContact O-N 2.9Å |
| 1345 | T | 45.2 | Very low | 64.3 | Low | 105 Ų | 105 | 53.3 Ų | 53.3 | 64% | 0.644 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.1 | 173.5 | 54.9 | 0 | 0 | 0 | 0 | 116 | K1343 | K1343-T1345 PolarHBondContact O-N 2.61Š|
| 1346 | C | 52.8 | Low | 64.2 | Low | 15 Ų | 15 | 56.1 Ų | 56.1 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | trans | -115.1 | 105.9 | -176 | -172.7 | 0 | 0 | 0 | 0 | 112.9 | S1040 L1332 P1342 K1343 E1344 V1348 | S1040-C1346 VanDerWaalsContact CB-SG 3.52Å; S1040-C1346 PolarHBondContact OG-SG 2.73Å; L1332-C1346 WeakPolarHBondContact CD1-O 3.34Å; P1342-C1346 HydrophobicContact CB-CB 4.06Å; P1342-C1346 HydrophobicContact CG-CB 4.32Å; K1343-C1346 PolarHBondContact O-N 2.75Å; E1344-C1346 PolarHBondContact O-N 2.9Å; C1346-V1348 PolarHBondContact SG-O 3.24Å; C1346-V1348 VanDerWaalsContact SG-O 3.37Å | ||
| 1347 | L | 69.5 | Low | 64.4 | Low | 81 Ų | 81 | 56.3 Ų | 56.3 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | trans | -96.8 | -12.6 | -177.9 | -63.2 | 172.3 | 0 | 0 | 0 | 114.5 | L1332 | L1332-L1347 PolarHBondContact N-O 2.82Š| ||
| 1348 | V | 73.1 | Confident | 64.8 | Low | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -136 | 163.9 | -166.9 | -35.2 | 0 | 0 | 0 | 0 | 112.5 | P1041 F1330 M1331 L1332 C1346 L1352 | P1041-V1348 HydrophobicContact CB-CG2 3.17Å; P1041-V1348 HydrophobicContact CG-CG2 3.54Å; F1330-V1348 WeakPolarHBondContact O-CB 3.34Å; M1331-V1348 HydrophobicContact CE-CG1 3.65Å; M1331-V1348 HydrophobicContact SD-CB 4.04Å; M1331-V1348 HydrophobicContact SD-CG1 3.46Å; M1331-V1348 WeakPolarHBondContact SD-CG1 3.28Å; L1332-V1348 WeakPolarHBondContact CD1-O 3.2Å; C1346-V1348 PolarHBondContact SG-O 3.24Å; C1346-V1348 VanDerWaalsContact SG-O 3.37Å; V1348-L1352 HydrophobicContact CB-CD2 4.06Å; V1348-L1352 HydrophobicContact CG1-CD2 4.49Å; V1348-L1352 HydrophobicContact CG2-CB 4.25Å; V1348-L1352 HydrophobicContact CG2-CD2 3.4Å; V1348-L1352 VanDerWaalsContact CG2-CD2 3.4Å; V1348-L1352 HydrophobicContact CG2-CG 4.46Å |
| 1349 | S | 73.7 | Confident | 65.5 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -107.2 | 168.2 | -154.7 | 109.9 | 0 | 0 | 0 | 0 | 114.1 | C1329 F1330 W1335 W1351 L1352 | C1329-S1349 WeakPolarHBondContact O-CB 3.29Å; C1329-S1349 PolarHBondContact O-OG 2.68Å; F1330-S1349 WeakPolarHBondContact O-CB 3.26Å; F1330-S1349 PolarHBondContact O-N 3.47Å; W1335-S1349 VanDerWaalsContact CZ2-CB 3.43Å; W1335-S1349 WeakPolarHBondContact CZ2-OG 3.22Å; S1349-W1351 PolarHBondContact O-N 2.8Å; S1349-W1351 VanDerWaalsContact O-N 3.08Å; S1349-W1351 PolarHBondContact OG-N 3.35Å; S1349-L1352 PolarHBondContact O-N 3.19Å | ||
| 1350 | P | 68.4 | Low | 66.5 | Low | 20 Ų | 20 | 53.6 Ų | 53.6 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -50.9 | -25.8 | 168.8 | 15.2 | -28.9 | 0 | 0 | 0 | 114.9 | S1039 W1335 L1352 L1353 | S1039-P1350 WeakPolarHBondContact OG-CB 3.22Å; W1335-P1350 HydrophobicContact CH2-CG 3.53Å; W1335-P1350 HydrophobicContact CZ2-CG 3.67Å; P1350-L1352 VanDerWaalsContact C-N 3.31Å; P1350-L1352 PolarHBondContact O-N 2.86Å; P1350-L1353 WeakPolarHBondContact O-CB 3.3Å; P1350-L1353 VanDerWaalsContact O-CG 3.26Å; P1350-L1353 WeakPolarHBondContact O-CG 3.27Å; P1350-L1353 PolarHBondContact O-N 2.96Å |
| 1351 | W | 76.4 | Confident | 67.8 | Low | 20 Ų | 20 | 49.6 Ų | 49.6 | 8% | 0.076 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77 | -17.5 | -178.9 | -57.5 | 116.2 | 0 | 0 | 0 | 113 | P1257 L1258 I1285 P1326 W1335 S1349 L1353 F1354 F1355 | P1257-W1351 PolarHBondContact O-NE1 2.95Å; L1258-W1351 HydrophobicContact CD1-CD2 4.47Å; L1258-W1351 HydrophobicContact CD1-CH2 3.44Å; L1258-W1351 VanDerWaalsContact CD1-CH2 3.44Å; L1258-W1351 HydrophobicContact CD1-CZ2 3.28Å; L1258-W1351 HydrophobicContact CD1-CZ3 4.08Å; L1258-W1351 HydrophobicContact CD2-CD2 3.79Å; L1258-W1351 HydrophobicContact CD2-CE3 4.19Å; L1258-W1351 HydrophobicContact CD2-CG 4.2Å; L1258-W1351 HydrophobicContact CD2-CH2 4.47Å; L1258-W1351 HydrophobicContact CD2-CZ2 4.07Å; L1258-W1351 HydrophobicContact CG-CD2 4.14Å; L1258-W1351 VanDerWaalsContact CG-CE2 3.49Å; L1258-W1351 HydrophobicContact CG-CH2 4.1Å; L1258-W1351 HydrophobicContact CG-CZ2 3.5Å; L1258-W1351 VanDerWaalsContact CG-CZ2 3.5Å; I1285-W1351 HydrophobicContact CD1-CZ3 4.43Å; P1326-W1351 HydrophobicContact CB-CB 3.95Å; P1326-W1351 HydrophobicContact CB-CD2 4.27Å; P1326-W1351 HydrophobicContact CB-CE3 4.01Å; P1326-W1351 HydrophobicContact CB-CG 4.25Å; W1335-W1351 AromaticContact CZ2-CD1 3.82Å; S1349-W1351 PolarHBondContact O-N 2.8Å; S1349-W1351 VanDerWaalsContact O-N 3.08Å; S1349-W1351 PolarHBondContact OG-N 3.35Å; W1351-L1353 VanDerWaalsContact C-N 3.3Å; W1351-F1354 WeakPolarHBondContact O-CB 3.02Å; W1351-F1355 WeakPolarHBondContact O-CD2 3.36Å; W1351-F1355 WeakPolarHBondContact O-CE2 3.45Å |
| 1352 | L | 78.6 | Confident | 69.6 | Low | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.9 | -28.8 | 167.7 | -163 | 69 | 0 | 0 | 0 | 111.8 | P1041 L1069 V1070 F1330 V1348 S1349 P1350 F1354 F1355 R1356 | P1041-L1352 HydrophobicContact CB-CD2 4.41Å; L1069-L1352 HydrophobicContact CB-CD1 4.08Å; V1070-L1352 HydrophobicContact CG1-CD1 3.48Å; V1070-L1352 VanDerWaalsContact CG1-CD1 3.48Å; V1070-L1352 HydrophobicContact CG1-CG 3.65Å; V1070-L1352 WeakPolarHBondContact CG1-O 3.27Å; F1330-L1352 HydrophobicContact CB-CB 4.26Å; F1330-L1352 HydrophobicContact CB-CD1 4.03Å; F1330-L1352 HydrophobicContact CD2-CD1 4.12Å; F1330-L1352 HydrophobicContact CG-CD1 4.35Å; V1348-L1352 HydrophobicContact CB-CD2 4.06Å; V1348-L1352 HydrophobicContact CG1-CD2 4.49Å; V1348-L1352 HydrophobicContact CG2-CB 4.25Å; V1348-L1352 HydrophobicContact CG2-CD2 3.4Å; V1348-L1352 VanDerWaalsContact CG2-CD2 3.4Å; V1348-L1352 HydrophobicContact CG2-CG 4.46Å; S1349-L1352 PolarHBondContact O-N 3.19Å; P1350-L1352 VanDerWaalsContact C-N 3.31Å; P1350-L1352 PolarHBondContact O-N 2.86Å; L1352-F1354 VanDerWaalsContact C-N 3.29Å; L1352-F1354 PolarHBondContact O-N 2.92Å; L1352-F1355 PolarHBondContact O-N 3.12Å; L1352-R1356 PolarHBondContact O-N 3.14Å; L1352-R1356 VanDerWaalsContact O-N 3.16Å |
| 1353 | L | 69.7 | Low | 71.2 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -35.7 | 178.9 | -39.5 | -177.4 | 0 | 0 | 0 | 111.8 | S1040 P1041 I1042 F1231 P1350 W1351 R1356 N1357 | S1040-L1353 WeakPolarHBondContact O-CD2 3.31Å; P1041-L1353 HydrophobicContact CB-CD2 4.39Å; I1042-L1353 HydrophobicContact CD1-CD2 3.69Å; F1231-L1353 HydrophobicContact CZ-CD1 4.28Å; P1350-L1353 WeakPolarHBondContact O-CB 3.3Å; P1350-L1353 VanDerWaalsContact O-CG 3.26Å; P1350-L1353 WeakPolarHBondContact O-CG 3.27Å; P1350-L1353 PolarHBondContact O-N 2.96Å; W1351-L1353 VanDerWaalsContact C-N 3.3Å; L1353-R1356 PolarHBondContact O-N 2.7Å; L1353-N1357 PolarHBondContact O-N 3.09Å; L1353-N1357 PolarHBondContact O-ND2 3.04Å; L1353-N1357 PolarHBondContact O-OD1 3.03Å |
| 1354 | F | 75.6 | Confident | 72.8 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -50.8 | 178.2 | 174.7 | -92.3 | 0 | 0 | 0 | 111.5 | L1156 F1222 L1320 L1322 P1326 W1351 L1352 N1357 | L1156-F1354 HydrophobicContact CD1-CE1 3.96Å; L1156-F1354 HydrophobicContact CD1-CZ 3.79Å; L1156-F1354 HydrophobicContact CD2-CE1 3.96Å; F1222-F1354 HydrophobicContact CB-CD2 3.98Å; F1222-F1354 HydrophobicContact CB-CE2 3.65Å; F1222-F1354 HydrophobicContact CB-CZ 4.17Å; F1222-F1354 AromaticContact CD1-CD1 3.95Å; F1222-F1354 HydrophobicContact CD1-CD1 3.95Å; F1222-F1354 HydrophobicContact CD1-CD2 4.13Å; F1222-F1354 AromaticContact CD1-CE1 3.57Å; F1222-F1354 HydrophobicContact CD1-CE1 3.57Å; F1222-F1354 AromaticContact CD1-CE2 3.78Å; F1222-F1354 HydrophobicContact CD1-CE2 3.78Å; F1222-F1354 HydrophobicContact CD1-CG 4.21Å; F1222-F1354 AromaticContact CD1-CZ 3.47Å; F1222-F1354 HydrophobicContact CD1-CZ 3.47Å; F1222-F1354 VanDerWaalsContact CD1-CZ 3.47Å; F1222-F1354 HydrophobicContact CE1-CD1 4.37Å; F1222-F1354 AromaticContact CE1-CE1 3.79Å; F1222-F1354 HydrophobicContact CE1-CE1 3.79Å; F1222-F1354 AromaticContact CE1-CZ 3.96Å; F1222-F1354 HydrophobicContact CE1-CZ 3.96Å; F1222-F1354 HydrophobicContact CG-CD2 4.43Å; F1222-F1354 HydrophobicContact CG-CE1 4.42Å; F1222-F1354 AromaticContact CG-CE2 3.89Å; F1222-F1354 HydrophobicContact CG-CE2 3.89Å; F1222-F1354 AromaticContact CG-CZ 3.87Å; F1222-F1354 HydrophobicContact CG-CZ 3.87Å; L1320-F1354 HydrophobicContact CD2-CE2 3.56Å; L1320-F1354 HydrophobicContact CD2-CZ 3.59Å; L1322-F1354 HydrophobicContact CD1-CE1 4.3Å; L1322-F1354 HydrophobicContact CD1-CE2 3.8Å; L1322-F1354 HydrophobicContact CD1-CZ 3.48Å; L1322-F1354 VanDerWaalsContact CD1-CZ 3.48Å; L1322-F1354 HydrophobicContact CG-CZ 4.47Å; P1326-F1354 HydrophobicContact CB-CD1 4.48Å; P1326-F1354 HydrophobicContact CG-CD1 4.33Å; P1326-F1354 HydrophobicContact CG-CE1 4.19Å; W1351-F1354 WeakPolarHBondContact O-CB 3.02Å; L1352-F1354 VanDerWaalsContact C-N 3.29Å; L1352-F1354 PolarHBondContact O-N 2.92Å; F1354-N1357 PolarHBondContact O-N 3.08Å |
| 1355 | F | 83 | Confident | 73.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 177 | -55.5 | -76.7 | 0 | 0 | 0 | 112.1 | M1063 A1066 L1067 V1070 L1156 P1326 E1327 W1351 L1352 N1357 A1358 Y1359 | M1063-F1355 HydrophobicContact CE-CE1 4.19Å; M1063-F1355 HydrophobicContact CE-CZ 4.47Å; M1063-F1355 HydrophobicContact SD-CE1 3.67Å; M1063-F1355 HydrophobicContact SD-CZ 4.24Å; A1066-F1355 HydrophobicContact CB-CD2 3.84Å; A1066-F1355 HydrophobicContact CB-CE1 4.38Å; A1066-F1355 HydrophobicContact CB-CE2 3.64Å; A1066-F1355 HydrophobicContact CB-CG 4.32Å; A1066-F1355 HydrophobicContact CB-CZ 3.92Å; L1067-F1355 HydrophobicContact CD2-CD1 3.8Å; L1067-F1355 HydrophobicContact CG-CD1 4.33Å; V1070-F1355 HydrophobicContact CB-CB 4.4Å; V1070-F1355 HydrophobicContact CG1-CB 3.89Å; V1070-F1355 HydrophobicContact CG2-CB 3.72Å; L1156-F1355 HydrophobicContact CD2-CD1 4.46Å; L1156-F1355 HydrophobicContact CD2-CE1 3.96Å; P1326-F1355 HydrophobicContact CB-CE2 4.05Å; P1326-F1355 HydrophobicContact CB-CZ 3.97Å; P1326-F1355 HydrophobicContact CG-CE2 4.44Å; P1326-F1355 HydrophobicContact CG-CZ 3.86Å; E1327-F1355 HydrophobicContact CB-CZ 3.93Å; W1351-F1355 WeakPolarHBondContact O-CD2 3.36Å; W1351-F1355 WeakPolarHBondContact O-CE2 3.45Å; L1352-F1355 PolarHBondContact O-N 3.12Å; F1355-N1357 PolarHBondContact O-N 3.4Å; F1355-A1358 PolarHBondContact O-N 3.19Å; F1355-Y1359 PolarHBondContact O-N 3.32Å |
| 1356 | R | 79.9 | Confident | 74.6 | Confident | 70 Ų | 70 | 30.7 Ų | 30.7 | 26% | 0.264 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.1 | -35.2 | 177.8 | -175.6 | -89 | -170.1 | 164.4 | -4.9 | 112.5 | I1042 V1070 L1352 L1353 A1358 Y1359 C1360 | I1042-R1356 HydrophobicContact CB-CG 4.28Å; I1042-R1356 HydrophobicContact CD1-CG 4.5Å; V1070-R1356 HydrophobicContact CB-CB 4.02Å; V1070-R1356 HydrophobicContact CG1-CB 3.91Å; L1352-R1356 PolarHBondContact O-N 3.14Å; L1352-R1356 VanDerWaalsContact O-N 3.16Å; L1353-R1356 PolarHBondContact O-N 2.7Å; R1356-A1358 VanDerWaalsContact C-N 3.3Å; R1356-A1358 PolarHBondContact O-N 2.72Å; R1356-Y1359 WeakPolarHBondContact O-CB 3.27Å; R1356-Y1359 PolarHBondContact O-N 3.33Å; R1356-C1360 PolarHBondContact NE-SG 3.4Å; R1356-C1360 VanDerWaalsContact NE-SG 3.37Å; R1356-C1360 PolarHBondContact O-N 3.13Å; R1356-C1360 PolarHBondContact O-SG 3.39Å; R1356-C1360 VanDerWaalsContact O-SG 3.39Å |
| 1357 | N | 76.7 | Confident | 74.3 | Confident | 18 Ų | 18 | 38 Ų | 38 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 174.6 | -66.8 | -24 | 0 | 0 | 0 | 110.7 | L1221 F1222 L1353 F1354 F1355 Y1359 C1360 W1361 | L1221-N1357 CarbonylContact O-C 3.57Å; L1221-N1357 WeakPolarHBondContact O-CB 3.28Å; F1222-N1357 PolarHBondContact O-ND2 2.88Å; L1353-N1357 PolarHBondContact O-N 3.09Å; L1353-N1357 PolarHBondContact O-ND2 3.04Å; L1353-N1357 PolarHBondContact O-OD1 3.03Å; F1354-N1357 PolarHBondContact O-N 3.08Å; F1355-N1357 PolarHBondContact O-N 3.4Å; N1357-Y1359 VanDerWaalsContact C-N 3.31Å; N1357-Y1359 PolarHBondContact O-N 3.4Å; N1357-C1360 PolarHBondContact O-N 3Å; N1357-W1361 PolarHBondContact O-N 3.02Å |
| 1358 | A | 82.9 | Confident | 73 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -37.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1072 F1154 L1221 F1222 F1355 R1356 C1362 | F1072-A1358 HydrophobicContact CZ-CB 4.4Å; F1154-A1358 HydrophobicContact CE1-CB 4.38Å; F1154-A1358 HydrophobicContact CZ-CB 4.23Å; L1221-A1358 HydrophobicContact CD1-CB 3.99Å; L1221-A1358 HydrophobicContact CG-CB 4.46Å; L1221-A1358 WeakPolarHBondContact O-CA 3.17Å; L1221-A1358 PolarHBondContact O-N 3.47Å; F1222-A1358 HydrophobicContact CD1-CB 3.94Å; F1222-A1358 HydrophobicContact CE1-CB 3.54Å; F1222-A1358 HydrophobicContact CZ-CB 4.06Å; F1355-A1358 PolarHBondContact O-N 3.19Å; R1356-A1358 VanDerWaalsContact C-N 3.3Å; R1356-A1358 PolarHBondContact O-N 2.72Å; A1358-C1362 PolarHBondContact O-N 3.42Å; A1358-C1362 PolarHBondContact O-SG 2.99Å |
| 1359 | Y | 83.5 | Confident | 71.1 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 172.3 | 174.6 | -100.3 | 0 | 0 | 0 | 112.2 | D1044 R1045 N1046 I1047 G1071 F1072 F1355 R1356 N1357 C1362 M1363 | D1044-Y1359 WeakPolarHBondContact O-CE1 3.09Å; D1044-Y1359 PolarHBondContact O-OH 2.96Å; R1045-Y1359 VanDerWaalsContact CA-OH 3.25Å; R1045-Y1359 WeakPolarHBondContact CA-OH 3.5Å; N1046-Y1359 PolarHBondContact N-OH 2.85Å; I1047-Y1359 HydrophobicContact CB-CD2 4.13Å; I1047-Y1359 HydrophobicContact CB-CE2 3.99Å; I1047-Y1359 HydrophobicContact CD1-CD2 3.59Å; I1047-Y1359 HydrophobicContact CD1-CE2 3.43Å; I1047-Y1359 VanDerWaalsContact CD1-CE2 3.43Å; I1047-Y1359 HydrophobicContact CD1-CG 4.49Å; I1047-Y1359 HydrophobicContact CG1-CD2 4.21Å; I1047-Y1359 HydrophobicContact CG1-CE2 3.78Å; G1071-Y1359 WeakPolarHBondContact O-CD2 3.35Å; G1071-Y1359 WeakPolarHBondContact O-CE2 3.23Å; F1072-Y1359 HydrophobicContact CD1-CD2 4.04Å; F1072-Y1359 AromaticContact CE1-CD2 3.88Å; F1072-Y1359 HydrophobicContact CE1-CD2 3.88Å; F1072-Y1359 VanDerWaalsContact CZ-CA 3.44Å; F1072-Y1359 HydrophobicContact CZ-CD2 4.24Å; F1072-Y1359 HydrophobicContact CZ-CG 4.44Å; F1355-Y1359 PolarHBondContact O-N 3.32Å; R1356-Y1359 WeakPolarHBondContact O-CB 3.27Å; R1356-Y1359 PolarHBondContact O-N 3.33Å; N1357-Y1359 VanDerWaalsContact C-N 3.31Å; N1357-Y1359 PolarHBondContact O-N 3.4Å; Y1359-C1362 WeakPolarHBondContact O-CB 3.21Å; Y1359-C1362 PolarHBondContact O-N 2.87Å; Y1359-M1363 HydrophobicContact CE1-CG 4.17Å; Y1359-M1363 HydrophobicContact CE2-CG 4.44Å; Y1359-M1363 PolarHBondContact O-N 2.73Å; Y1359-M1363 VanDerWaalsContact O-N 3.16Å |
| 1360 | C | 77.3 | Confident | 69.1 | Low | 31 Ų | 31 | 50.3 Ų | 50.3 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 176.6 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | R1356 N1357 C1362 M1363 E1364 | R1356-C1360 PolarHBondContact NE-SG 3.4Å; R1356-C1360 VanDerWaalsContact NE-SG 3.37Å; R1356-C1360 PolarHBondContact O-N 3.13Å; R1356-C1360 PolarHBondContact O-SG 3.39Å; R1356-C1360 VanDerWaalsContact O-SG 3.39Å; N1357-C1360 PolarHBondContact O-N 3Å; C1360-C1362 VanDerWaalsContact C-N 3.29Å; C1360-C1362 PolarHBondContact O-N 3.33Å; C1360-M1363 WeakPolarHBondContact O-CB 3.4Å; C1360-M1363 PolarHBondContact O-N 2.75Å; C1360-M1363 VanDerWaalsContact O-N 3.14Å; C1360-E1364 PolarHBondContact O-N 2.71Å |
| 1361 | W | 81.8 | Confident | 67.5 | Low | 41 Ų | 41 | 53 Ų | 53 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 174 | 175.9 | 90.2 | 0 | 0 | 0 | 112.3 | F1154 L1221 R1318 N1357 M1363 E1364 S1365 | F1154-W1361 HydrophobicContact CB-CZ3 4.36Å; F1154-W1361 HydrophobicContact CD1-CZ3 4.43Å; L1221-W1361 HydrophobicContact CB-CG 4.25Å; L1221-W1361 HydrophobicContact CD1-CB 3.82Å; L1221-W1361 HydrophobicContact CD1-CD2 3.45Å; L1221-W1361 VanDerWaalsContact CD1-CD2 3.45Å; L1221-W1361 HydrophobicContact CD1-CE3 3.39Å; L1221-W1361 HydrophobicContact CD1-CG 3.65Å; L1221-W1361 HydrophobicContact CD1-CZ3 4.15Å; R1318-W1361 HydrophobicContact CG-CH2 4.44Å; R1318-W1361 HydrophobicContact CG-CZ2 4.15Å; N1357-W1361 PolarHBondContact O-N 3.02Å; W1361-M1363 VanDerWaalsContact C-N 3.29Å; W1361-M1363 PolarHBondContact O-N 3.21Å; W1361-E1364 PolarHBondContact O-N 3.22Å; W1361-S1365 VanDerWaalsContact O-CB 3.26Å; W1361-S1365 WeakPolarHBondContact O-CB 3.23Å; W1361-S1365 PolarHBondContact O-N 3.31Å; W1361-S1365 PolarHBondContact O-OG 2.86Å |
| 1362 | C | 83.6 | Confident | 65.5 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 175.7 | -74.4 | 0 | 0 | 0 | 0 | 112.7 | I1047 R1093 F1154 A1358 Y1359 C1360 S1366 | I1047-C1362 HydrophobicContact CD1-CB 3.37Å; I1047-C1362 HydrophobicContact CG1-CB 4.44Å; I1047-C1362 HydrophobicContact CG2-CB 4.14Å; R1093-C1362 PolarHBondContact NH2-O 3.44Å; F1154-C1362 VanDerWaalsContact CD1-SG 3.58Å; F1154-C1362 VanDerWaalsContact CE1-SG 3.52Å; A1358-C1362 PolarHBondContact O-N 3.42Å; A1358-C1362 PolarHBondContact O-SG 2.99Å; Y1359-C1362 WeakPolarHBondContact O-CB 3.21Å; Y1359-C1362 PolarHBondContact O-N 2.87Å; C1360-C1362 VanDerWaalsContact C-N 3.29Å; C1360-C1362 PolarHBondContact O-N 3.33Å; C1362-S1366 PolarHBondContact O-OG 2.84Å |
| 1363 | M | 78.2 | Confident | 63.3 | Low | 86 Ų | 86 | 68.4 Ų | 68.4 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.8 | -45.9 | 174 | -66.9 | -64.3 | -64 | 0 | 0 | 111.9 | I1047 Y1359 C1360 W1361 S1365 S1366 | I1047-M1363 HydrophobicContact CD1-CG 3.6Å; I1047-M1363 HydrophobicContact CD1-SD 3.45Å; I1047-M1363 WeakPolarHBondContact CD1-SD 3.2Å; I1047-M1363 HydrophobicContact CG1-SD 3.97Å; Y1359-M1363 HydrophobicContact CE1-CG 4.17Å; Y1359-M1363 HydrophobicContact CE2-CG 4.44Å; Y1359-M1363 PolarHBondContact O-N 2.73Å; Y1359-M1363 VanDerWaalsContact O-N 3.16Å; C1360-M1363 WeakPolarHBondContact O-CB 3.4Å; C1360-M1363 PolarHBondContact O-N 2.75Å; C1360-M1363 VanDerWaalsContact O-N 3.14Å; W1361-M1363 VanDerWaalsContact C-N 3.29Å; W1361-M1363 PolarHBondContact O-N 3.21Å; M1363-S1365 PolarHBondContact O-N 2.97Å; M1363-S1366 PolarHBondContact O-N 3.04Å; M1363-S1366 VanDerWaalsContact O-N 3.15Å; M1363-S1366 PolarHBondContact O-OG 3.35Å |
| 1364 | E | 73 | Confident | 61.6 | Low | 116 Ų | 116 | 72.8 Ų | 72.8 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -34.8 | 174.4 | -76.6 | 178.4 | -142.7 | 0 | 0 | 111.3 | R1220 C1360 W1361 S1366 | R1220-E1364 IonicContact CZ-OE2 3.34Å; R1220-E1364 IonicContact NH1-OE2 2.68Å; R1220-E1364 PolarHBondContact NH1-OE2 2.97Å; C1360-E1364 PolarHBondContact O-N 2.71Å; W1361-E1364 PolarHBondContact O-N 3.22Å; E1364-S1366 PolarHBondContact O-N 3.33Å |
| 1365 | S | 68.5 | Low | 59.6 | Low | 45 Ų | 45 | 79.2 Ų | 79.2 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 13.8 | 179.2 | -50.6 | 0 | 0 | 0 | 0 | 114.1 | R1093 W1361 M1363 | R1093-S1365 PolarHBondContact NH2-O 3.26Å; W1361-S1365 VanDerWaalsContact O-CB 3.26Å; W1361-S1365 WeakPolarHBondContact O-CB 3.23Å; W1361-S1365 PolarHBondContact O-N 3.31Å; W1361-S1365 PolarHBondContact O-OG 2.86Å; M1363-S1365 PolarHBondContact O-N 2.97Å |
| 1366 | S | 60 | Low | 57.1 | Low | 33 Ų | 33 | 86.8 Ų | 86.8 | 23% | 0.231 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -119.1 | 117.2 | 172.2 | 28 | 0 | 0 | 0 | 0 | 110.3 | C1362 M1363 E1364 D1368 | C1362-S1366 PolarHBondContact O-OG 2.84Å; M1363-S1366 PolarHBondContact O-N 3.04Å; M1363-S1366 VanDerWaalsContact O-N 3.15Å; M1363-S1366 PolarHBondContact O-OG 3.35Å; E1364-S1366 PolarHBondContact O-N 3.33Å; S1366-D1368 PolarHBondContact O-N 2.85Å |
| 1367 | N | 47.6 | Very low | 54.7 | Low | 169 Ų | 169 | 87.9 Ų | 87.9 | 90% | 0.904 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 8.1 | -175.2 | -80.9 | -17.9 | 0 | 0 | 0 | 115.6 | C1369 | N1367-C1369 VanDerWaalsContact C-N 3.27Å; N1367-C1369 PolarHBondContact O-N 3.29Å |
| 1368 | D | 41 | Very low | 52.6 | Low | 145 Ų | 145 | 92 Ų | 92 | 78% | 0.775 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9 | 177.8 | -72.9 | -48.3 | 0 | 0 | 0 | 113.8 | S1366 S1370 | S1366-D1368 PolarHBondContact O-N 2.85Å; D1368-S1370 PolarHBondContact O-N 2.94Å; D1368-S1370 PolarHBondContact O-OG 2.84Å |
| 1369 | C | 33.7 | Very low | 50.1 | Low | 96 Ų | 96 | 97.8 Ų | 97.8 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | trans | -74.8 | 69 | -178 | -155.7 | 0 | 0 | 0 | 0 | 112.7 | N1367 | N1367-C1369 VanDerWaalsContact C-N 3.27Å; N1367-C1369 PolarHBondContact O-N 3.29Å | ||
| 1370 | S | 33 | Very low | 47.4 | Very low | 117 Ų | 117 | 105.6 Ų | 105.6 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | trans | -103.1 | 2.2 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | D1368 | D1368-S1370 PolarHBondContact O-N 2.94Å; D1368-S1370 PolarHBondContact O-OG 2.84Å | ||
| 1371 | D | 34.6 | Very low | 45.6 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | trans | -120.7 | 98.8 | 177.4 | -167.7 | -6.5 | 0 | 0 | 0 | 111.6 | R1373 L1374 | D1371-R1373 PolarHBondContact O-N 3.27Å; D1371-R1373 WeakPolarHBondContact OD1-CB 3.43Å; D1371-R1373 VanDerWaalsContact OD1-CD 3.29Å; D1371-R1373 WeakPolarHBondContact OD1-CD 3.3Å; D1371-R1373 WeakPolarHBondContact OD1-CG 3.19Å; D1371-R1373 PolarHBondContact OD1-N 3.33Å; D1371-R1373 VanDerWaalsContact OD1-N 3.11Å; D1371-L1374 PolarHBondContact O-N 3.48Å | ||
| 1372 | E | 32.9 | Very low | 43.1 | Very low | 162 Ų | 162 | 115.5 Ų | 115.5 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -57.7 | -17.3 | 178.4 | -63.9 | -175.2 | 123.5 | 0 | 0 | 113.6 | L1374 L1375 | E1372-L1374 VanDerWaalsContact C-N 3.3Å; E1372-L1374 PolarHBondContact O-N 3.4Å; E1372-L1375 PolarHBondContact O-N 3.05Å |
| 1373 | R | 34.1 | Very low | 40.5 | Very low | 194 Ų | 194 | 123.8 Ų | 123.8 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -65.3 | -31.9 | -177.4 | -62.8 | 169.5 | -179.5 | 179.7 | 0.6 | 112.7 | D1371 L1375 Q1376 | D1371-R1373 PolarHBondContact O-N 3.27Å; D1371-R1373 WeakPolarHBondContact OD1-CB 3.43Å; D1371-R1373 VanDerWaalsContact OD1-CD 3.29Å; D1371-R1373 WeakPolarHBondContact OD1-CD 3.3Å; D1371-R1373 WeakPolarHBondContact OD1-CG 3.19Å; D1371-R1373 PolarHBondContact OD1-N 3.33Å; D1371-R1373 VanDerWaalsContact OD1-N 3.11Å; R1373-L1375 PolarHBondContact O-N 2.86Å; R1373-Q1376 PolarHBondContact O-N 2.88Å; R1373-Q1376 VanDerWaalsContact O-N 3.14Å |
| 1374 | L | 33.5 | Very low | 38.3 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -65.8 | -18.4 | 180 | -93.3 | 164.9 | 0 | 0 | 0 | 113.9 | D1371 E1372 | D1371-L1374 PolarHBondContact O-N 3.48Å; E1372-L1374 VanDerWaalsContact C-N 3.3Å; E1372-L1374 PolarHBondContact O-N 3.4Å |
| 1375 | L | 33.7 | Very low | 36.1 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -84.7 | -16.3 | 176.1 | -80 | 159.7 | 0 | 0 | 0 | 113.6 | E1372 R1373 | E1372-L1375 PolarHBondContact O-N 3.05Å; R1373-L1375 PolarHBondContact O-N 2.86Å |
| 1376 | Q | 30 | Very low | 34.3 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -19.9 | -174.2 | -63.6 | -172.1 | 2.4 | 0 | 0 | 114.3 | R1373 | R1373-Q1376 PolarHBondContact O-N 2.88Å; R1373-Q1376 VanDerWaalsContact O-N 3.14Å |
| 1377 | S | 28.9 | Very low | 32.8 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.7 | 17.7 | -168.5 | 76.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1378 | K | 33.9 | Very low | 32 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 46% | 0.457 | 68% | 0.677 | S | S | . | * | trans | -115.2 | 27.4 | -172.2 | -68.5 | -163 | 173.4 | -162 | 0 | 114.8 | ||||
| 1379 | T | 30.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | trans | -93 | -12.1 | -176.2 | 41.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1380 | E | 26.5 | Very low | 31.1 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -89.1 | 129 | 178.1 | -64.7 | -172.2 | 156.1 | 0 | 0 | 111.2 | ||||
| 1381 | W | 38.7 | Very low | 30.9 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 64% | 0.644 | 67% | 0.668 | S | S | * | * | trans | -77.8 | 138.6 | 177.4 | -75.8 | 42 | 0 | 0 | 0 | 110.4 | H1383 | W1381-H1383 PolarHBondContact O-N 3.22Š| ||
| 1382 | P | 28.9 | Very low | 30.7 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | trans | -64.1 | 115.3 | 154 | -8.6 | 24.6 | 0 | 0 | 0 | 107.7 | V1384 | P1382-V1384 PolarHBondContact O-N 2.96Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å | ||
| 1383 | H | 28.7 | Very low | 30.4 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | trans | -63.7 | 113.5 | 168.7 | -78.7 | -82.9 | 0 | 0 | 0 | 109.1 | W1381 S1385 | W1381-H1383 PolarHBondContact O-N 3.22Å; H1383-S1385 PolarHBondContact O-N 3.4Å | ||
| 1384 | V | 31.9 | Very low | 30.1 | Very low | 146 Ų | 146 | 119.2 Ų | 119.2 | 89% | 0.885 | 69% | 0.691 | S | S | * | * | trans | -68.8 | 91.7 | 157.7 | -179.5 | 0 | 0 | 0 | 0 | 106 | P1382 | P1382-V1384 PolarHBondContact O-N 2.96Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å | ||
| 1385 | S | 28.4 | Very low | 29.9 | Very low | 52 Ų | 52 | 122.2 Ų | 122.2 | 36% | 0.364 | 73% | 0.732 | S | S | . | * | trans | -75.2 | 130.1 | -171 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | H1383 D1387 T1388 | H1383-S1385 PolarHBondContact O-N 3.4Å; S1385-D1387 PolarHBondContact O-N 3.35Å; S1385-D1387 VanDerWaalsContact O-N 3.11Å; S1385-T1388 PolarHBondContact O-OG1 2.86Å | ||
| 1386 | A | 30.8 | Very low | 29.7 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -14.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1388 A1389 | A1386-T1388 PolarHBondContact O-N 2.86Å; A1386-A1389 WeakPolarHBondContact O-CB 3.15Å; A1386-A1389 PolarHBondContact O-N 2.84Å |
| 1387 | D | 28.3 | Very low | 29.7 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 52% | 0.524 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -54.9 | -17.3 | 178.5 | -64.2 | -45.5 | 0 | 0 | 0 | 115 | S1385 A1389 A1390 | S1385-D1387 PolarHBondContact O-N 3.35Å; S1385-D1387 VanDerWaalsContact O-N 3.11Å; D1387-A1389 VanDerWaalsContact C-N 3.28Å; D1387-A1389 PolarHBondContact O-N 3.08Å; D1387-A1390 PolarHBondContact O-N 3.08Å |
| 1388 | T | 29.5 | Very low | 29.7 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -66.2 | -31 | 174.5 | -46.1 | 0 | 0 | 0 | 0 | 111.8 | S1385 A1386 | S1385-T1388 PolarHBondContact O-OG1 2.86Å; A1386-T1388 PolarHBondContact O-N 2.86Å |
| 1389 | A | 29.1 | Very low | 29.5 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -71.7 | -33.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1386 D1387 K1391 | A1386-A1389 WeakPolarHBondContact O-CB 3.15Å; A1386-A1389 PolarHBondContact O-N 2.84Å; D1387-A1389 VanDerWaalsContact C-N 3.28Å; D1387-A1389 PolarHBondContact O-N 3.08Å; A1389-K1391 VanDerWaalsContact C-N 3.31Å; A1389-K1391 PolarHBondContact O-N 3.29Å |
| 1390 | A | 28.5 | Very low | 29.4 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -73.4 | -16 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1387 | D1387-A1390 PolarHBondContact O-N 3.08Å |
| 1391 | K | 27.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6.7 | -170.7 | -74 | 177.3 | -179.1 | 168.7 | 0 | 115.9 | A1389 | A1389-K1391 VanDerWaalsContact C-N 3.31Å; A1389-K1391 PolarHBondContact O-N 3.29Å |
| 1392 | N | 29.8 | Very low | 29 | Very low | 148 Ų | 148 | 114.1 Ų | 114.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 7.3 | 176.7 | -69.9 | -24.4 | 0 | 0 | 0 | 113.9 | A1394 | N1392-A1394 VanDerWaalsContact C-N 3.34Å; N1392-A1394 PolarHBondContact O-N 3.06Å |
| 1393 | G | 27.5 | Very low | 29 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -88 | 15.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1394 | A | 27.2 | Very low | 29 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | -146.2 | 52.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1392 | N1392-A1394 VanDerWaalsContact C-N 3.34Å; N1392-A1394 PolarHBondContact O-N 3.06Å | ||
| 1395 | A | 29.8 | Very low | 28.7 | Very low | 172 Ų | 172 | 106.3 Ų | 106.3 | 100% | 1.421 | 74% | 0.742 | S | S | * | * | trans | -147.6 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 1,395 of 1,395 residues in 1009 ms
(Link to these results)