| 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 | 25.7 | Very low | 60.1 | Low | 222 Ų | 222 | 74.2 Ų | 74.2 | 100% | 1.094 | 40% | 0.396 | S | S | * | . | 0 | 124.7 | 0 | -67.4 | 177 | 173.8 | 0 | 0 | 111.6 | |||||
| 2 | K | 35.2 | Very low | 61.7 | Low | 129 Ų | 129 | 71.3 Ų | 71.3 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | trans | -123.6 | 124.7 | 151.4 | -81.2 | -166 | -176.7 | -169.4 | 0 | 106.6 | G65 | K2-G65 VanDerWaalsContact CE-O 3.24Å; K2-G65 WeakPolarHBondContact CE-O 3.28Å; K2-G65 PolarHBondContact NZ-O 2.83Å | ||
| 3 | C | 39 | Very low | 62.9 | Low | 73 Ų | 73 | 75.8 Ų | 75.8 | 49% | 0.493 | 39% | 0.393 | S | S | . | . | trans | -71.8 | 147.7 | -177 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | Q5 F9 | C3-Q5 PolarHBondContact O-N 3.17Å; C3-F9 HydrophobicContact CB-CD2 4.42Å; C3-F9 HydrophobicContact CB-CE2 3.94Å | ||
| 4 | P | 48.5 | Very low | 63.9 | Low | 116 Ų | 116 | 77.9 Ų | 77.9 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | trans | -60.6 | 136.2 | 177.9 | 25.3 | -34.3 | 0 | 0 | 0 | 111.1 | ||||
| 5 | Q | 56.4 | Low | 64.7 | Low | 15 Ų | 15 | 77.2 Ų | 77.2 | 7% | 0.07 | 39% | 0.391 | C | S | . | . | trans | -104.6 | -7.6 | -175.8 | -60.1 | -149.1 | -77.6 | 0 | 0 | 114.7 | C3 P7 Y8 F9 L66 T67 T171 | C3-Q5 PolarHBondContact O-N 3.17Å; Q5-P7 CarbonylContact O-C 3.49Å; Q5-Y8 CarbonylContact O-C 3.17Å; Q5-Y8 WeakPolarHBondContact O-CA 3.24Å; Q5-Y8 PolarHBondContact O-N 3.27Å; Q5-F9 HydrophobicContact CB-CB 4.44Å; Q5-F9 HydrophobicContact CG-CB 4.36Å; Q5-L66 VanDerWaalsContact NE2-CD2 3.27Å; Q5-T67 PolarHBondContact OE1-OG1 2.76Å; Q5-T171 PolarHBondContact NE2-OG1 3.26Å | ||
| 6 | N | 55.1 | Low | 65.2 | Low | 101 Ų | 101 | 76.7 Ų | 76.7 | 54% | 0.54 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -92.8 | 134 | 176.8 | -93.7 | -66.2 | 0 | 0 | 0 | 110.3 | D173 N174 | N6-D173 PolarHBondContact ND2-OD2 3.35Å; N6-D173 VanDerWaalsContact ND2-OD2 3.1Å; N6-N174 PolarHBondContact OD1-ND2 2.96Å; N6-N174 VanDerWaalsContact OD1-ND2 3.16Å |
| 7 | P | 69.6 | Low | 65.4 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -82 | -19.4 | 4.7 | 32 | -34.6 | 0 | 0 | 0 | 115 | Q5 S172 N174 Y176 | Q5-P7 CarbonylContact O-C 3.49Å; P7-S172 WeakPolarHBondContact O-CB 3.03Å; P7-N174 PolarHBondContact O-ND2 3.08Å; P7-Y176 PolarHBondContact O-OH 3.2Å |
| 8 | Y | 79.2 | Confident | 65.6 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 25% | 0.247 | 40% | 0.397 | C | S | . | . | trans | -160.1 | 162.6 | 172 | 62.5 | -81.1 | 0 | 0 | 0 | 110.9 | Q5 F170 T171 P195 E197 F198 | Q5-Y8 CarbonylContact O-C 3.17Å; Q5-Y8 WeakPolarHBondContact O-CA 3.24Å; Q5-Y8 PolarHBondContact O-N 3.27Å; Y8-F170 HydrophobicContact CD2-CD2 4.48Å; Y8-T171 CarbonylContact C-O 3.56Å; Y8-T171 WeakPolarHBondContact CA-O 3.2Å; Y8-P195 HydrophobicContact CD1-CB 4.14Å; Y8-P195 HydrophobicContact CD1-CG 3.47Å; Y8-P195 VanDerWaalsContact CD1-CG 3.47Å; Y8-P195 HydrophobicContact CD2-CG 4.3Å; Y8-P195 HydrophobicContact CE1-CB 3.49Å; Y8-P195 VanDerWaalsContact CE1-CB 3.49Å; Y8-P195 HydrophobicContact CE1-CG 3.37Å; Y8-P195 HydrophobicContact CE2-CB 4.09Å; Y8-P195 HydrophobicContact CE2-CG 4.17Å; Y8-P195 HydrophobicContact CG-CG 3.99Å; Y8-P195 VanDerWaalsContact CZ-CB 3.47Å; Y8-E197 HydrophobicContact CE2-CG 4.34Å; Y8-F198 AromaticContact CD2-CE2 3.61Å; Y8-F198 HydrophobicContact CD2-CE2 3.61Å; Y8-F198 HydrophobicContact CD2-CZ 4.24Å; Y8-F198 HydrophobicContact CE2-CD2 4.44Å; Y8-F198 AromaticContact CE2-CE2 3.55Å; Y8-F198 HydrophobicContact CE2-CE2 3.55Å; Y8-F198 HydrophobicContact CE2-CZ 4.07Å | ||
| 9 | F | 82.6 | Confident | 66.1 | Low | 7 Ų | 7 | 73.3 Ų | 73.3 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.2 | 175.6 | -180 | -84.6 | 0 | 0 | 0 | 111.4 | C3 Q5 I11 H14 Y15 L66 F170 T171 | C3-F9 HydrophobicContact CB-CD2 4.42Å; C3-F9 HydrophobicContact CB-CE2 3.94Å; Q5-F9 HydrophobicContact CB-CB 4.44Å; Q5-F9 HydrophobicContact CG-CB 4.36Å; F9-I11 HydrophobicContact CD1-CG1 4.38Å; F9-H14 AromaticContact CD2-CD2 3.63Å; F9-H14 AromaticContact CD2-NE2 3.9Å; F9-H14 HydrophobicContact CE1-CB 4.03Å; F9-H14 AromaticContact CE1-CD2 3.89Å; F9-H14 HydrophobicContact CE2-CB 4.07Å; F9-H14 AromaticContact CE2-CD2 3.25Å; F9-H14 WeakPolarHBondContact CE2-CD2 3.39Å; F9-H14 AromaticContact CE2-CG 3.6Å; F9-H14 AromaticContact CE2-NE2 3.75Å; F9-H14 HydrophobicContact CZ-CB 3.44Å; F9-H14 VanDerWaalsContact CZ-CB 3.44Å; F9-H14 AromaticContact CZ-CD2 3.4Å; F9-H14 VanDerWaalsContact CZ-CD2 3.4Å; F9-H14 WeakPolarHBondContact CZ-CD2 3.26Å; F9-H14 AromaticContact CZ-CG 3.5Å; F9-Y15 HydrophobicContact CE1-CD2 4.47Å; F9-Y15 HydrophobicContact CE1-CE2 4.04Å; F9-Y15 HydrophobicContact CZ-CE2 4.01Å; F9-L66 HydrophobicContact CD1-CD1 3.89Å; F9-L66 HydrophobicContact CD1-CD2 3.54Å; F9-L66 HydrophobicContact CD1-CG 4.38Å; F9-L66 HydrophobicContact CD2-CD2 4.31Å; F9-L66 HydrophobicContact CE1-CD1 3.9Å; F9-L66 HydrophobicContact CE1-CD2 3.54Å; F9-L66 HydrophobicContact CE1-CG 4.38Å; F9-L66 HydrophobicContact CE2-CD2 4.3Å; F9-L66 HydrophobicContact CG-CD2 3.94Å; F9-L66 HydrophobicContact CZ-CD2 3.93Å; F9-F170 CarbonylContact O-C 3.46Å; F9-F170 WeakPolarHBondContact O-CA 3.46Å; F9-F170 VanDerWaalsContact O-CB 3.24Å; F9-F170 WeakPolarHBondContact O-CB 2.99Å; F9-T171 PolarHBondContact N-O 3.33Å; F9-T171 PolarHBondContact O-N 3.02Å |
| 10 | N | 86.1 | Confident | 66.9 | Low | 18 Ų | 18 | 70.1 Ų | 70.1 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 111.7 | -179 | -177.7 | -20 | 0 | 0 | 0 | 112 | M12 K13 H14 E197 F198 | N10-M12 PolarHBondContact OD1-N 2.96Å; N10-K13 HydrophobicContact CB-CB 3.78Å; N10-K13 HydrophobicContact CB-CD 4.32Å; N10-K13 PolarHBondContact O-N 3.3Å; N10-K13 PolarHBondContact OD1-N 2.75Å; N10-K13 VanDerWaalsContact OD1-N 3.09Å; N10-H14 PolarHBondContact O-CD2 3.28Å; N10-H14 PolarHBondContact O-N 2.93Å; N10-H14 VanDerWaalsContact O-N 3.12Å; N10-E197 WeakPolarHBondContact CB-OE1 3.38Å; N10-E197 PolarHBondContact ND2-OE1 2.76Å; N10-F198 HydrophobicContact CB-CZ 3.89Å; N10-F198 VanDerWaalsContact ND2-CE1 3.32Å; N10-F198 WeakPolarHBondContact ND2-CE1 3.47Å; N10-F198 WeakPolarHBondContact ND2-CZ 3.21Å |
| 11 | I | 83.9 | Confident | 67.6 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | -175.8 | -55.3 | 174.6 | 0 | 0 | 0 | 111.2 | F9 K13 Y15 W20 V56 L66 L71 L155 L158 A169 T171 | F9-I11 HydrophobicContact CD1-CG1 4.38Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.08Å; I11-Y15 HydrophobicContact CG2-CD2 4.21Å; I11-Y15 WeakPolarHBondContact O-CB 3.45Å; I11-Y15 PolarHBondContact O-N 2.7Å; I11-W20 HydrophobicContact CG2-CZ2 4.2Å; I11-V56 HydrophobicContact CG2-CG1 3.99Å; I11-L66 HydrophobicContact CD1-CD1 4.2Å; I11-L66 HydrophobicContact CG1-CD1 3.96Å; I11-L71 HydrophobicContact CD1-CD1 4.05Å; I11-L155 HydrophobicContact CD1-CD2 4.05Å; I11-L158 HydrophobicContact CD1-CD2 4.23Å; I11-A169 HydrophobicContact CB-CB 4.39Å; I11-A169 WeakPolarHBondContact CB-O 3.29Å; I11-A169 PolarHBondContact N-O 3.15Å; I11-T171 HydrophobicContact CD1-CG2 4.4Å |
| 12 | M | 78.6 | Confident | 70.1 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.8 | -23 | -177.3 | -57.2 | -150.7 | -57.7 | 0 | 0 | 113.1 | N10 Y15 W20 I166 Y167 A169 | N10-M12 PolarHBondContact OD1-N 2.96Å; M12-Y15 CarbonylContact O-C 3.47Å; M12-W20 HydrophobicContact CG-CH2 4.48Å; M12-W20 HydrophobicContact CG-CZ2 4.05Å; M12-I166 HydrophobicContact CE-CG2 3.89Å; M12-I166 HydrophobicContact SD-CG2 3.97Å; M12-Y167 WeakPolarHBondContact CE-O 3.14Å; M12-A169 HydrophobicContact CG-CB 4.11Å |
| 13 | K | 78.2 | Confident | 72 | Confident | 130 Ų | 130 | 65.9 Ų | 65.9 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -80.2 | -43 | 176.7 | -170.1 | -179.6 | -170.8 | -179.6 | 0 | 112.5 | N10 I11 E197 | N10-K13 HydrophobicContact CB-CB 3.78Å; N10-K13 HydrophobicContact CB-CD 4.32Å; N10-K13 PolarHBondContact O-N 3.3Å; N10-K13 PolarHBondContact OD1-N 2.75Å; N10-K13 VanDerWaalsContact OD1-N 3.09Å; I11-K13 VanDerWaalsContact C-N 3.32Å; I11-K13 PolarHBondContact O-N 3.08Å; K13-E197 IonicContact NZ-OE2 2.66Å; K13-E197 PolarHBondContact NZ-OE2 2.91Å |
| 14 | H | 76.3 | Confident | 73.6 | Confident | 104 Ų | 104 | 64.2 Ų | 64.2 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -81.3 | -26.2 | 177.6 | -69.9 | -68.7 | 0 | 0 | 0 | 113.5 | F9 N10 | F9-H14 AromaticContact CD2-CD2 3.63Å; F9-H14 AromaticContact CD2-NE2 3.9Å; F9-H14 HydrophobicContact CE1-CB 4.03Å; F9-H14 AromaticContact CE1-CD2 3.89Å; F9-H14 HydrophobicContact CE2-CB 4.07Å; F9-H14 AromaticContact CE2-CD2 3.25Å; F9-H14 WeakPolarHBondContact CE2-CD2 3.39Å; F9-H14 AromaticContact CE2-CG 3.6Å; F9-H14 AromaticContact CE2-NE2 3.75Å; F9-H14 HydrophobicContact CZ-CB 3.44Å; F9-H14 VanDerWaalsContact CZ-CB 3.44Å; F9-H14 AromaticContact CZ-CD2 3.4Å; F9-H14 VanDerWaalsContact CZ-CD2 3.4Å; F9-H14 WeakPolarHBondContact CZ-CD2 3.26Å; F9-H14 AromaticContact CZ-CG 3.5Å; N10-H14 PolarHBondContact O-CD2 3.28Å; N10-H14 PolarHBondContact O-N 2.93Å; N10-H14 VanDerWaalsContact O-N 3.12Å |
| 15 | Y | 76.5 | Confident | 74.6 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -117.8 | 89.2 | 172.2 | -59.5 | -86.6 | 0 | 0 | 0 | 108.8 | F9 I11 M12 W20 V56 L64 | F9-Y15 HydrophobicContact CE1-CD2 4.47Å; F9-Y15 HydrophobicContact CE1-CE2 4.04Å; F9-Y15 HydrophobicContact CZ-CE2 4.01Å; I11-Y15 HydrophobicContact CG2-CD2 4.21Å; I11-Y15 WeakPolarHBondContact O-CB 3.45Å; I11-Y15 PolarHBondContact O-N 2.7Å; M12-Y15 CarbonylContact O-C 3.47Å; Y15-W20 PolarHBondContact O-NE1 2.91Å; Y15-V56 HydrophobicContact CD1-CG2 3.82Å; Y15-V56 HydrophobicContact CD2-CG2 4.39Å; Y15-V56 HydrophobicContact CG-CG2 3.71Å; Y15-L64 HydrophobicContact CD2-CD2 3.99Å; Y15-L64 HydrophobicContact CE1-CD2 4.25Å; Y15-L64 HydrophobicContact CE2-CD2 3.48Å; Y15-L64 VanDerWaalsContact CE2-CD2 3.48Å |
| 16 | P | 73 | Confident | 75 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | trans | -63.8 | 155.5 | 178 | 27.3 | -35.4 | 0 | 0 | 0 | 110.8 | S18 S19 | P16-S18 PolarHBondContact O-N 3Å; P16-S19 WeakPolarHBondContact O-CB 3.33Å; P16-S19 PolarHBondContact O-N 2.99Å; P16-S19 PolarHBondContact O-OG 3.1Å | ||
| 17 | L | 67.3 | Low | 75.7 | Confident | 26 Ų | 26 | 66.8 Ų | 66.8 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.6 | -24.8 | -170.4 | -160 | 77.3 | 0 | 0 | 0 | 114.4 | S19 W20 F31 L42 | L17-S19 PolarHBondContact O-N 3.14Å; L17-W20 HydrophobicContact CD1-CD2 4.46Å; L17-W20 HydrophobicContact CD1-CG 4.36Å; L17-W20 WeakPolarHBondContact O-CB 3.35Å; L17-W20 PolarHBondContact O-N 3.3Å; L17-W20 VanDerWaalsContact O-N 3.11Å; L17-F31 HydrophobicContact CB-CE2 3.86Å; L17-F31 HydrophobicContact CB-CZ 4.09Å; L17-F31 HydrophobicContact CD2-CD2 4.21Å; L17-F31 HydrophobicContact CD2-CE2 3.63Å; L17-F31 HydrophobicContact CD2-CZ 4.16Å; L17-F31 HydrophobicContact CG-CE2 4.27Å; L17-F31 HydrophobicContact CG-CZ 4.48Å; L17-L42 HydrophobicContact CD1-CD1 3.77Å; L17-L42 HydrophobicContact CD1-CD2 3.67Å; L17-L42 HydrophobicContact CD1-CG 4.37Å; L17-L42 HydrophobicContact CD2-CD1 3.67Å; L17-L42 HydrophobicContact CG-CD1 4.39Å |
| 18 | S | 69.7 | Low | 75.9 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.2 | 170.9 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | P16 W20 | P16-S18 PolarHBondContact O-N 3Å; S18-W20 VanDerWaalsContact C-N 3.33Å |
| 19 | S | 75.5 | Confident | 75.9 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -81.7 | -7.1 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 114 | P16 L17 N58 | P16-S19 WeakPolarHBondContact O-CB 3.33Å; P16-S19 PolarHBondContact O-N 2.99Å; P16-S19 PolarHBondContact O-OG 3.1Å; L17-S19 PolarHBondContact O-N 3.14Å; S19-N58 WeakPolarHBondContact O-CB 3.43Å |
| 20 | W | 81.4 | Confident | 75.7 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -89.3 | 135.1 | -179.8 | -68.3 | 49.1 | 0 | 0 | 0 | 110.3 | I11 M12 Y15 L17 S18 R22 A54 T55 V56 L158 L160 | I11-W20 HydrophobicContact CG2-CZ2 4.2Å; M12-W20 HydrophobicContact CG-CH2 4.48Å; M12-W20 HydrophobicContact CG-CZ2 4.05Å; Y15-W20 PolarHBondContact O-NE1 2.91Å; L17-W20 HydrophobicContact CD1-CD2 4.46Å; L17-W20 HydrophobicContact CD1-CG 4.36Å; L17-W20 WeakPolarHBondContact O-CB 3.35Å; L17-W20 PolarHBondContact O-N 3.3Å; L17-W20 VanDerWaalsContact O-N 3.11Å; S18-W20 VanDerWaalsContact C-N 3.33Å; W20-R22 PolarHBondContact O-N 3.35Å; W20-A54 HydrophobicContact CE3-CB 3.8Å; W20-A54 HydrophobicContact CZ3-CB 4.46Å; W20-T55 WeakPolarHBondContact CA-O 3.5Å; W20-V56 HydrophobicContact CD2-CB 3.76Å; W20-V56 HydrophobicContact CD2-CG1 4.13Å; W20-V56 HydrophobicContact CE3-CB 4.16Å; W20-V56 HydrophobicContact CE3-CG1 4.27Å; W20-V56 HydrophobicContact CG-CB 4.05Å; W20-V56 HydrophobicContact CG-CG2 4.49Å; W20-V56 HydrophobicContact CH2-CG1 3.96Å; W20-V56 HydrophobicContact CZ2-CB 4.24Å; W20-V56 HydrophobicContact CZ2-CG1 3.77Å; W20-V56 HydrophobicContact CZ3-CG1 4.19Å; W20-L158 HydrophobicContact CH2-CD2 4.26Å; W20-L160 HydrophobicContact CH2-CD1 3.9Å; W20-L160 HydrophobicContact CZ3-CD1 3.7Å; W20-L160 HydrophobicContact CZ3-CG 4.3Å |
| 21 | K | 81.3 | Confident | 75.4 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 94.3 | 171.9 | -162.4 | -175.9 | -135.2 | 77.6 | 0 | 109.3 | A54 T55 N58 | K21-A54 WeakPolarHBondContact O-CA 3.35Å; K21-T55 PolarHBondContact N-O 3.19Å; K21-T55 PolarHBondContact O-N 3.21Å; K21-N58 HydrophobicContact CB-CB 4.4Å; K21-N58 WeakPolarHBondContact CB-OD1 3.5Å; K21-N58 WeakPolarHBondContact CG-OD1 3.21Å; K21-N58 PolarHBondContact NZ-O 2.92Å; K21-N58 PolarHBondContact NZ-OD1 3.4Å |
| 22 | R | 79.6 | Confident | 75.3 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 42% | 0.419 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135.6 | 167.1 | -66.2 | -179.8 | -74.5 | 162.6 | 0.7 | 109.1 | W20 I29 | W20-R22 PolarHBondContact O-N 3.35Å; R22-I29 HydrophobicContact CG-CG2 4.14Å |
| 23 | R | 73.4 | Confident | 75.2 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.3 | 169.9 | -85.8 | -174.8 | 163.8 | -158.8 | -6.6 | 107.6 | V51 N52 H53 | R23-V51 CarbonylContact C-O 3.59Å; R23-V51 VanDerWaalsContact O-O 3.12Å; R23-N52 CarbonylContact O-C 3.58Å; R23-N52 VanDerWaalsContact O-CA 3.3Å; R23-N52 WeakPolarHBondContact O-CA 3.31Å; R23-H53 VanDerWaalsContact CB-CE1 3.5Å; R23-H53 WeakPolarHBondContact CB-CE1 3.47Å; R23-H53 PolarHBondContact N-O 3.18Å; R23-H53 PolarHBondContact O-N 3.21Å; R23-H53 VanDerWaalsContact O-O 3.14Å |
| 24 | G | 72.3 | Confident | 75.3 | Confident | 37 Ų | 37 | 69.4 Ų | 69.4 | 38% | 0.381 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 119 | -169.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N52 | G24-N52 WeakPolarHBondContact CA-OD1 3.49Š|
| 25 | N | 70.6 | Confident | 75.2 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | trans | -69 | 132 | 170.1 | -165.9 | 13.2 | 0 | 0 | 0 | 109.4 | E28 N52 | N25-E28 HydrophobicContact CB-CB 4.32Å; N25-E28 HydrophobicContact CB-CG 4.21Å; N25-E28 WeakPolarHBondContact CB-OE1 3.37Å; N25-E28 PolarHBondContact ND2-OE1 3.42Å; N25-E28 PolarHBondContact O-N 3.24Å; N25-N52 PolarHBondContact N-OD1 3.24Å | ||
| 26 | V | 65.4 | Low | 74.9 | Confident | 81 Ų | 81 | 68.5 Ų | 68.5 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -73.4 | -36 | -169.3 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | E28 I29 | V26-E28 PolarHBondContact O-N 3.26Å; V26-I29 CarbonylContact O-C 3.42Å; V26-I29 PolarHBondContact O-N 2.95Å |
| 27 | D | 68.1 | Low | 75 | Confident | 130 Ų | 130 | 65.6 Ų | 65.6 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -23.4 | -178.6 | -51.9 | -32.6 | 0 | 0 | 0 | 112.3 | I29 C30 | D27-I29 PolarHBondContact O-N 3.31Å; D27-C30 PolarHBondContact O-SG 2.81Å |
| 28 | E | 74.4 | Confident | 75.3 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.1 | 173.2 | -68.3 | 170.9 | -120 | 0 | 0 | 112.9 | N25 V26 D45 N52 | N25-E28 HydrophobicContact CB-CB 4.32Å; N25-E28 HydrophobicContact CB-CG 4.21Å; N25-E28 WeakPolarHBondContact CB-OE1 3.37Å; N25-E28 PolarHBondContact ND2-OE1 3.42Å; N25-E28 PolarHBondContact O-N 3.24Å; V26-E28 PolarHBondContact O-N 3.26Å; E28-D45 PolarHBondContact O-N 3.49Å; E28-N52 WeakPolarHBondContact CB-ND2 3.46Å; E28-N52 PolarHBondContact OE2-ND2 2.8Å |
| 29 | I | 79.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 74.6 | 177.2 | -49.9 | -177.8 | 0 | 0 | 0 | 109.8 | R22 V26 D27 L42 L43 I44 N52 | R22-I29 HydrophobicContact CG-CG2 4.14Å; V26-I29 CarbonylContact O-C 3.42Å; V26-I29 PolarHBondContact O-N 2.95Å; D27-I29 PolarHBondContact O-N 3.31Å; I29-L42 HydrophobicContact CG2-CD1 4.47Å; I29-L43 WeakPolarHBondContact CA-O 3.46Å; I29-I44 HydrophobicContact CG1-CG2 4.34Å; I29-I44 HydrophobicContact CG2-CG1 4.41Å; I29-N52 HydrophobicContact CD1-CB 4.29Å |
| 30 | C | 78.9 | Confident | 75.8 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 164.2 | -171.5 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | D27 L43 | D27-C30 PolarHBondContact O-SG 2.81Å; C30-L43 PolarHBondContact N-O 3.34Å; C30-L43 WeakPolarHBondContact O-CB 3.35Å; C30-L43 PolarHBondContact O-N 2.89Å |
| 31 | F | 80.5 | Confident | 76 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 138.2 | 168.3 | -74.2 | -75.6 | 0 | 0 | 0 | 110.2 | L17 V41 L42 | L17-F31 HydrophobicContact CB-CE2 3.86Å; L17-F31 HydrophobicContact CB-CZ 4.09Å; L17-F31 HydrophobicContact CD2-CD2 4.21Å; L17-F31 HydrophobicContact CD2-CE2 3.63Å; L17-F31 HydrophobicContact CD2-CZ 4.16Å; L17-F31 HydrophobicContact CG-CE2 4.27Å; L17-F31 HydrophobicContact CG-CZ 4.48Å; F31-V41 WeakPolarHBondContact CA-O 3.47Å; F31-L42 HydrophobicContact CD1-CB 4.21Å; F31-L42 HydrophobicContact CE1-CB 3.95Å; F31-L42 HydrophobicContact CE1-CD1 4.35Å; F31-L42 HydrophobicContact CZ-CD1 4.46Å |
| 32 | V | 80.1 | Confident | 76.1 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 142.1 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | D34 V41 L43 | V32-D34 PolarHBondContact O-N 2.89Å; V32-V41 PolarHBondContact N-O 2.93Å; V32-V41 WeakPolarHBondContact O-CG2 3.46Å; V32-V41 PolarHBondContact O-N 2.84Å; V32-L43 HydrophobicContact CG2-CB 3.87Å; V32-L43 HydrophobicContact CG2-CD2 3.92Å |
| 33 | T | 77.6 | Confident | 76.4 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.3 | 173.5 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | S39 E40 | T33-S39 WeakPolarHBondContact CA-O 3.3Å; T33-E40 HydrophobicContact CG2-CG 3.95Å |
| 34 | D | 79.5 | Confident | 76.9 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.9 | 176.8 | 177.1 | 104.5 | 0 | 0 | 0 | 110.5 | V32 T36 I37 N38 S39 V41 R76 W133 | V32-D34 PolarHBondContact O-N 2.89Å; D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 2.91Å; D34-T36 WeakPolarHBondContact OD2-CA 3.18Å; D34-T36 VanDerWaalsContact OD2-CB 3.31Å; D34-T36 WeakPolarHBondContact OD2-CB 3.42Å; D34-T36 PolarHBondContact OD2-N 2.89Å; D34-T36 PolarHBondContact OD2-OG1 3.48Å; D34-I37 PolarHBondContact O-N 3.13Å; D34-I37 PolarHBondContact OD2-N 2.8Å; D34-N38 WeakPolarHBondContact O-CA 3.44Å; D34-N38 PolarHBondContact O-N 3.47Å; D34-S39 PolarHBondContact N-O 2.74Å; D34-V41 HydrophobicContact CB-CG1 4.35Å; D34-V41 HydrophobicContact CB-CG2 3.68Å; D34-R76 IonicContact OD1-CZ 2.71Å; D34-R76 IonicContact OD1-NH1 2.78Å; D34-R76 PolarHBondContact OD1-NH1 3.24Å; D34-W133 HydrophobicContact CB-CZ2 4.02Å; D34-W133 PolarHBondContact OD2-NE1 2.97Å |
| 35 | P | 74 | Confident | 77.3 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 68% | 0.682 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.2 | -172.9 | 31.8 | -37.2 | 0 | 0 | 0 | 114.2 | N38 | P35-N38 PolarHBondContact O-OD1 3.2Š|
| 36 | T | 72.1 | Confident | 77.4 | Confident | 47 Ų | 47 | 54 Ų | 54 | 29% | 0.288 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -27.1 | 176 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | D34 W133 | D34-T36 VanDerWaalsContact C-N 3.27Å; D34-T36 PolarHBondContact O-N 2.91Å; D34-T36 WeakPolarHBondContact OD2-CA 3.18Å; D34-T36 VanDerWaalsContact OD2-CB 3.31Å; D34-T36 WeakPolarHBondContact OD2-CB 3.42Å; D34-T36 PolarHBondContact OD2-N 2.89Å; D34-T36 PolarHBondContact OD2-OG1 3.48Å; T36-W133 VanDerWaalsContact OG1-CD1 3.3Å; T36-W133 PolarHBondContact OG1-NE1 2.9Å |
| 37 | I | 75 | Confident | 77.2 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -27.8 | 175.7 | -66.2 | -171.9 | 0 | 0 | 0 | 112.6 | D34 S39 W133 Y167 P200 F211 | D34-I37 PolarHBondContact O-N 3.13Å; D34-I37 PolarHBondContact OD2-N 2.8Å; I37-S39 WeakPolarHBondContact CG2-OG 3.43Å; I37-W133 HydrophobicContact CD1-CB 4.48Å; I37-W133 HydrophobicContact CD1-CD2 3.42Å; I37-W133 VanDerWaalsContact CD1-CD2 3.42Å; I37-W133 HydrophobicContact CD1-CE3 4.02Å; I37-W133 HydrophobicContact CD1-CG 3.63Å; I37-W133 HydrophobicContact CD1-CH2 4.47Å; I37-W133 HydrophobicContact CD1-CZ2 3.94Å; I37-W133 HydrophobicContact CD1-CZ3 4.49Å; I37-W133 HydrophobicContact CG1-CD2 4.34Å; I37-W133 HydrophobicContact CG1-CG 4.25Å; I37-Y167 HydrophobicContact CD1-CG 4.43Å; I37-P200 HydrophobicContact CG2-CB 3.45Å; I37-P200 VanDerWaalsContact CG2-CB 3.45Å; I37-P200 HydrophobicContact CG2-CG 3.48Å; I37-P200 VanDerWaalsContact CG2-CG 3.48Å; I37-F211 HydrophobicContact CD1-CE1 4.04Å; I37-F211 HydrophobicContact CD1-CZ 3.65Å; I37-F211 HydrophobicContact CG1-CZ 4.04Å |
| 38 | N | 72.8 | Confident | 76.8 | Confident | 143 Ų | 143 | 56 Ų | 56 | 77% | 0.765 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 47.1 | -165.9 | -72.3 | -12.5 | 0 | 0 | 0 | 112.7 | D34 P35 | D34-N38 WeakPolarHBondContact O-CA 3.44Å; D34-N38 PolarHBondContact O-N 3.47Å; P35-N38 PolarHBondContact O-OD1 3.2Å |
| 39 | S | 76.6 | Confident | 75.8 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 160.7 | 172.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | T33 D34 I37 Y167 | T33-S39 WeakPolarHBondContact CA-O 3.3Å; D34-S39 PolarHBondContact N-O 2.74Å; I37-S39 WeakPolarHBondContact CG2-OG 3.43Å; S39-Y167 WeakPolarHBondContact OG-CD2 3.43Å; S39-Y167 WeakPolarHBondContact OG-CE2 3.39Å |
| 40 | E | 79.8 | Confident | 74.8 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.7 | 166.9 | -66.4 | -179.4 | 177.7 | 0 | 0 | 110.1 | T33 | T33-E40 HydrophobicContact CG2-CG 3.95Å |
| 41 | V | 84.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.8 | 179.2 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | F31 V32 D34 L43 W133 L165 I166 Y167 | F31-V41 WeakPolarHBondContact CA-O 3.47Å; V32-V41 PolarHBondContact N-O 2.93Å; V32-V41 WeakPolarHBondContact O-CG2 3.46Å; V32-V41 PolarHBondContact O-N 2.84Å; D34-V41 HydrophobicContact CB-CG1 4.35Å; D34-V41 HydrophobicContact CB-CG2 3.68Å; V41-L43 PolarHBondContact O-N 3.32Å; V41-W133 HydrophobicContact CB-CH2 3.92Å; V41-W133 HydrophobicContact CB-CZ2 4.41Å; V41-W133 HydrophobicContact CG1-CH2 3.6Å; V41-W133 HydrophobicContact CG1-CZ2 3.9Å; V41-W133 HydrophobicContact CG2-CH2 4.18Å; V41-W133 HydrophobicContact CG2-CZ2 4.29Å; V41-L165 HydrophobicContact CG2-CB 4.49Å; V41-L165 HydrophobicContact CG2-CD2 3.78Å; V41-I166 CarbonylContact C-O 3.34Å; V41-I166 WeakPolarHBondContact CA-O 3.41Å; V41-I166 WeakPolarHBondContact CB-O 3.31Å; V41-Y167 HydrophobicContact CG1-CD2 3.97Å; V41-Y167 HydrophobicContact CG1-CG 4.39Å |
| 42 | L | 84.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 111.7 | 177.5 | 179 | 66.3 | 0 | 0 | 0 | 109.5 | L17 I29 F31 I44 L165 I166 | L17-L42 HydrophobicContact CD1-CD1 3.77Å; L17-L42 HydrophobicContact CD1-CD2 3.67Å; L17-L42 HydrophobicContact CD1-CG 4.37Å; L17-L42 HydrophobicContact CD2-CD1 3.67Å; L17-L42 HydrophobicContact CG-CD1 4.39Å; I29-L42 HydrophobicContact CG2-CD1 4.47Å; F31-L42 HydrophobicContact CD1-CB 4.21Å; F31-L42 HydrophobicContact CE1-CB 3.95Å; F31-L42 HydrophobicContact CE1-CD1 4.35Å; F31-L42 HydrophobicContact CZ-CD1 4.46Å; L42-I44 HydrophobicContact CD2-CD1 4.14Å; L42-I44 HydrophobicContact CD2-CG1 4.18Å; L42-I44 HydrophobicContact CG-CG1 4.08Å; L42-L165 CarbonylContact O-C 3.51Å; L42-L165 VanDerWaalsContact O-CA 3.32Å; L42-L165 WeakPolarHBondContact O-CA 3.46Å; L42-I166 HydrophobicContact CB-CB 4.44Å; L42-I166 HydrophobicContact CD2-CD1 4.26Å; L42-I166 PolarHBondContact N-O 3.42Å; L42-I166 PolarHBondContact O-N 3.18Å |
| 43 | L | 84.8 | Confident | 74 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.3 | 165.2 | 175.2 | 61.6 | 0 | 0 | 0 | 109.1 | I29 C30 V32 V41 D45 L78 L165 | I29-L43 WeakPolarHBondContact CA-O 3.46Å; C30-L43 PolarHBondContact N-O 3.34Å; C30-L43 WeakPolarHBondContact O-CB 3.35Å; C30-L43 PolarHBondContact O-N 2.89Å; V32-L43 HydrophobicContact CG2-CB 3.87Å; V32-L43 HydrophobicContact CG2-CD2 3.92Å; V41-L43 PolarHBondContact O-N 3.32Å; L43-D45 HydrophobicContact CD1-CB 4.33Å; L43-L78 HydrophobicContact CD1-CD1 3.78Å; L43-L165 HydrophobicContact CB-CD2 3.87Å; L43-L165 HydrophobicContact CD1-CD2 3.85Å; L43-L165 HydrophobicContact CD1-CG 4.29Å; L43-L165 HydrophobicContact CG-CD2 4.44Å |
| 44 | I | 84.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 107.9 | 161.4 | -50.1 | -176.7 | 0 | 0 | 0 | 105.3 | I29 L42 A54 L160 C162 S163 L164 I166 | I29-I44 HydrophobicContact CG1-CG2 4.34Å; I29-I44 HydrophobicContact CG2-CG1 4.41Å; L42-I44 HydrophobicContact CD2-CD1 4.14Å; L42-I44 HydrophobicContact CD2-CG1 4.18Å; L42-I44 HydrophobicContact CG-CG1 4.08Å; I44-A54 HydrophobicContact CD1-CB 4.26Å; I44-L160 HydrophobicContact CD1-CB 3.84Å; I44-C162 CarbonylContact O-C 3.53Å; I44-S163 CarbonylContact O-C 3.53Å; I44-S163 WeakPolarHBondContact O-CA 3.48Å; I44-L164 HydrophobicContact CB-CG 4.47Å; I44-L164 HydrophobicContact CD1-CD1 4.33Å; I44-L164 PolarHBondContact N-O 2.86Å; I44-L164 PolarHBondContact O-N 3.09Å; I44-L164 VanDerWaalsContact O-O 3.14Å; I44-I166 HydrophobicContact CD1-CD1 4.19Å |
| 45 | D | 79.7 | Confident | 74.6 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | trans | -103.1 | 167.9 | 168.6 | -149.8 | -16.6 | 0 | 0 | 0 | 110.8 | E28 L43 N52 L78 K81 S163 | E28-D45 PolarHBondContact O-N 3.49Å; L43-D45 HydrophobicContact CD1-CB 4.33Å; D45-N52 WeakPolarHBondContact O-CB 3.39Å; D45-N52 PolarHBondContact O-ND2 3.13Å; D45-L78 HydrophobicContact CB-CD1 4.26Å; D45-K81 WeakPolarHBondContact OD1-CD 3.34Å; D45-K81 IonicContact OD1-NZ 3.22Å; D45-K81 PolarHBondContact OD1-NZ 3.37Å; D45-K81 IonicContact OD2-NZ 3.39Å; D45-K81 PolarHBondContact OD2-NZ 2.7Å; D45-S163 WeakPolarHBondContact OD1-CB 3.46Å; D45-S163 PolarHBondContact OD1-OG 3.17Å | ||
| 46 | G | 72.8 | Confident | 75.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | 158.8 | 127.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V48 N52 S163 | G46-V48 VanDerWaalsContact C-N 3.32Å; G46-V48 PolarHBondContact O-N 3.12Å; G46-N52 WeakPolarHBondContact CA-ND2 3.26Å; G46-S163 PolarHBondContact N-OG 2.72Å; G46-S163 PolarHBondContact O-OG 3.1Å | ||
| 47 | L | 62.3 | Low | 75.5 | Confident | 162 Ų | 162 | 43.3 Ų | 43.3 | 85% | 0.848 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -69 | -19.8 | -172.5 | -67.2 | 169.1 | 0 | 0 | 0 | 115.5 | ||
| 48 | V | 59.6 | Low | 75.5 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -134 | 132.3 | -169.3 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | G46 A50 V51 | G46-V48 VanDerWaalsContact C-N 3.32Å; G46-V48 PolarHBondContact O-N 3.12Å; V48-A50 PolarHBondContact O-N 3.4Å; V48-V51 HydrophobicContact CB-CG2 4Å; V48-V51 HydrophobicContact CG1-CG2 4.28Å; V48-V51 PolarHBondContact O-N 3.08Å; V48-V51 VanDerWaalsContact O-N 3.17Å |
| 49 | N | 53.8 | Low | 75.4 | Confident | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -0.3 | -169.3 | -79.1 | 12.6 | 0 | 0 | 0 | 119.2 | C162 | N49-C162 VanDerWaalsContact CA-SG 3.54Š|
| 50 | A | 56.6 | Low | 74.4 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | -14.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V48 H53 | V48-A50 PolarHBondContact O-N 3.4Å; A50-H53 PolarHBondContact O-CE1 2.89Å; A50-H53 PolarHBondContact O-ND1 3.43Å |
| 51 | V | 64.7 | Low | 73.5 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 47% | 0.473 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78.2 | -73.1 | -169.8 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | R23 V48 H53 | R23-V51 CarbonylContact C-O 3.59Å; R23-V51 VanDerWaalsContact O-O 3.12Å; V48-V51 HydrophobicContact CB-CG2 4Å; V48-V51 HydrophobicContact CG1-CG2 4.28Å; V48-V51 PolarHBondContact O-N 3.08Å; V48-V51 VanDerWaalsContact O-N 3.17Å; V51-H53 PolarHBondContact O-N 3.41Å; V51-H53 PolarHBondContact O-ND1 3.41Å |
| 52 | N | 76.3 | Confident | 72.2 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.032 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -84 | 117.6 | -175.4 | -60.4 | -3 | 0 | 0 | 0 | 111.6 | R23 G24 N25 E28 I29 D45 G46 C162 | R23-N52 CarbonylContact O-C 3.58Å; R23-N52 VanDerWaalsContact O-CA 3.3Å; R23-N52 WeakPolarHBondContact O-CA 3.31Å; G24-N52 WeakPolarHBondContact CA-OD1 3.49Å; N25-N52 PolarHBondContact N-OD1 3.24Å; E28-N52 WeakPolarHBondContact CB-ND2 3.46Å; E28-N52 PolarHBondContact OE2-ND2 2.8Å; I29-N52 HydrophobicContact CD1-CB 4.29Å; D45-N52 WeakPolarHBondContact O-CB 3.39Å; D45-N52 PolarHBondContact O-ND2 3.13Å; G46-N52 WeakPolarHBondContact CA-ND2 3.26Å; N52-C162 PolarHBondContact O-N 3.26Å |
| 53 | H | 83.2 | Confident | 71.5 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 150.5 | 178.2 | 60.1 | -85.2 | 0 | 0 | 0 | 113.2 | R23 A50 V51 K159 L160 C161 | R23-H53 VanDerWaalsContact CB-CE1 3.5Å; R23-H53 WeakPolarHBondContact CB-CE1 3.47Å; R23-H53 PolarHBondContact N-O 3.18Å; R23-H53 PolarHBondContact O-N 3.21Å; R23-H53 VanDerWaalsContact O-O 3.14Å; A50-H53 PolarHBondContact O-CE1 2.89Å; A50-H53 PolarHBondContact O-ND1 3.43Å; V51-H53 PolarHBondContact O-N 3.41Å; V51-H53 PolarHBondContact O-ND1 3.41Å; H53-K159 VanDerWaalsContact CD2-CE 3.4Å; H53-K159 WeakPolarHBondContact CD2-CE 3.47Å; H53-K159 PolarHBondContact CD2-NZ 2.84Å; H53-K159 PolarHBondContact CE1-NZ 3.34Å; H53-K159 PolarHBondContact NE2-NZ 3.13Å; H53-L160 CarbonylContact C-O 3.46Å; H53-L160 WeakPolarHBondContact CA-O 3.42Å; H53-L160 WeakPolarHBondContact CB-O 3.4Å; H53-C161 HydrophobicContact CB-CB 3.91Å |
| 54 | A | 83.1 | Confident | 71.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | W20 K21 I44 K159 L160 | W20-A54 HydrophobicContact CE3-CB 3.8Å; W20-A54 HydrophobicContact CZ3-CB 4.46Å; K21-A54 WeakPolarHBondContact O-CA 3.35Å; I44-A54 HydrophobicContact CD1-CB 4.26Å; A54-K159 WeakPolarHBondContact O-CA 3.27Å; A54-L160 PolarHBondContact N-O 2.74Å; A54-L160 PolarHBondContact O-N 3.15Å |
| 55 | T | 86 | Confident | 70.7 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 5% | 0.049 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.6 | 177.4 | 86.8 | 0 | 0 | 0 | 0 | 113.2 | W20 K21 L158 K159 | W20-T55 WeakPolarHBondContact CA-O 3.5Å; K21-T55 PolarHBondContact N-O 3.19Å; K21-T55 PolarHBondContact O-N 3.21Å; T55-L158 CarbonylContact C-O 3.16Å; T55-L158 WeakPolarHBondContact CA-O 3.48Å; T55-K159 HydrophobicContact CG2-CB 3.78Å; T55-K159 HydrophobicContact CG2-CD 3.69Å; T55-K159 HydrophobicContact CG2-CG 3.74Å |
| 56 | V | 85.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.9 | 171.7 | 69.6 | 0 | 0 | 0 | 0 | 110.1 | I11 Y15 W20 L64 R157 L158 | I11-V56 HydrophobicContact CG2-CG1 3.99Å; Y15-V56 HydrophobicContact CD1-CG2 3.82Å; Y15-V56 HydrophobicContact CD2-CG2 4.39Å; Y15-V56 HydrophobicContact CG-CG2 3.71Å; W20-V56 HydrophobicContact CD2-CB 3.76Å; W20-V56 HydrophobicContact CD2-CG1 4.13Å; W20-V56 HydrophobicContact CE3-CB 4.16Å; W20-V56 HydrophobicContact CE3-CG1 4.27Å; W20-V56 HydrophobicContact CG-CB 4.05Å; W20-V56 HydrophobicContact CG-CG2 4.49Å; W20-V56 HydrophobicContact CH2-CG1 3.96Å; W20-V56 HydrophobicContact CZ2-CB 4.24Å; W20-V56 HydrophobicContact CZ2-CG1 3.77Å; W20-V56 HydrophobicContact CZ3-CG1 4.19Å; V56-L64 HydrophobicContact CG1-CD1 4.32Å; V56-L64 HydrophobicContact CG1-CD2 4.38Å; V56-L64 HydrophobicContact CG2-CD2 4.23Å; V56-R157 WeakPolarHBondContact O-CA 3.3Å; V56-R157 VanDerWaalsContact O-CG 3.3Å; V56-R157 WeakPolarHBondContact O-CG 3.38Å; V56-L158 HydrophobicContact CG1-CB 4.08Å; V56-L158 PolarHBondContact N-O 3.17Å; V56-L158 PolarHBondContact O-N 3.04Å |
| 57 | P | 80.5 | Confident | 71.3 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | S | Bend | cis | -76.9 | 172.3 | -0.1 | 34.6 | -32.1 | 0 | 0 | 0 | 112.2 | C62 R157 | P57-C62 HydrophobicContact CB-CB 4.34Å; P57-C62 HydrophobicContact CG-CB 4.13Å; P57-C62 VanDerWaalsContact CG-O 3.24Å; P57-C62 WeakPolarHBondContact CG-O 3.31Å; P57-R157 PolarHBondContact O-NH2 3.27Å |
| 58 | N | 73.4 | Confident | 72.2 | Confident | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -71.6 | -43.8 | -178.3 | -173 | -0.5 | 0 | 0 | 0 | 112.9 | S19 K21 | S19-N58 WeakPolarHBondContact O-CB 3.43Å; K21-N58 HydrophobicContact CB-CB 4.4Å; K21-N58 WeakPolarHBondContact CB-OD1 3.5Å; K21-N58 WeakPolarHBondContact CG-OD1 3.21Å; K21-N58 PolarHBondContact NZ-O 2.92Å; K21-N58 PolarHBondContact NZ-OD1 3.4Å |
| 59 | D | 70.7 | Confident | 73.3 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -75.5 | 159.4 | 177.9 | -154.6 | -43.5 | 0 | 0 | 0 | 111.7 | K61 C62 R157 | D59-K61 PolarHBondContact OD1-N 2.95Å; D59-C62 HydrophobicContact CB-CB 4.34Å; D59-R157 PolarHBondContact O-NH1 3.36Å; D59-R157 PolarHBondContact O-NH2 2.81Å |
| 60 | R | 56.7 | Low | 74.9 | Confident | 214 Ų | 214 | 49.3 Ų | 49.3 | 81% | 0.808 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -87.4 | -21.2 | 167.2 | -69.2 | -176.6 | 174.8 | -177.6 | -0.9 | 113.4 | ||
| 61 | K | 60.3 | Low | 76.5 | Confident | 184 Ų | 184 | 46 Ų | 46 | 80% | 0.8 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -75.6 | -37 | 176.3 | -66.8 | -173.7 | 177.4 | -174.8 | 0 | 112.7 | D59 | D59-K61 PolarHBondContact OD1-N 2.95Š|
| 62 | C | 56.5 | Low | 77.7 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 47% | 0.466 | 21% | 0.209 | S | C | . | . | trans | -80.1 | 150.6 | -178.3 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | P57 D59 | P57-C62 HydrophobicContact CB-CB 4.34Å; P57-C62 HydrophobicContact CG-CB 4.13Å; P57-C62 VanDerWaalsContact CG-O 3.24Å; P57-C62 WeakPolarHBondContact CG-O 3.31Å; D59-C62 HydrophobicContact CB-CB 4.34Å | ||
| 63 | N | 70.1 | Confident | 78.3 | Confident | 78 Ų | 78 | 42.1 Ų | 42.1 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | trans | -127.3 | 146.6 | 176.4 | -64.3 | -72.3 | 0 | 0 | 0 | 110.2 | G65 | N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 PolarHBondContact O-N 2.9Å | ||
| 64 | L | 77.2 | Confident | 78.6 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | trans | -61.4 | -37.9 | 173 | -76.3 | 172.3 | 0 | 0 | 0 | 112.7 | Y15 V56 L66 L155 S156 L158 | Y15-L64 HydrophobicContact CD2-CD2 3.99Å; Y15-L64 HydrophobicContact CE1-CD2 4.25Å; Y15-L64 HydrophobicContact CE2-CD2 3.48Å; Y15-L64 VanDerWaalsContact CE2-CD2 3.48Å; V56-L64 HydrophobicContact CG1-CD1 4.32Å; V56-L64 HydrophobicContact CG1-CD2 4.38Å; V56-L64 HydrophobicContact CG2-CD2 4.23Å; L64-L66 HydrophobicContact CB-CD1 4.15Å; L64-L66 HydrophobicContact CB-CG 4.06Å; L64-L66 HydrophobicContact CD1-CD1 4.37Å; L64-L66 HydrophobicContact CD2-CD1 4.41Å; L64-L66 PolarHBondContact O-N 3.19Å; L64-L66 VanDerWaalsContact O-N 3.14Å; L64-L155 WeakPolarHBondContact CB-O 3.35Å; L64-L155 HydrophobicContact CD1-CD2 4.33Å; L64-L155 HydrophobicContact CD1-CG 4.16Å; L64-S156 PolarHBondContact N-O 2.98Å; L64-L158 HydrophobicContact CD1-CB 4.41Å | ||
| 65 | G | 76.8 | Confident | 78.9 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | 68.6 | 7.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K2 N63 T67 L155 | K2-G65 VanDerWaalsContact CE-O 3.24Å; K2-G65 WeakPolarHBondContact CE-O 3.28Å; K2-G65 PolarHBondContact NZ-O 2.83Å; N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 PolarHBondContact O-N 2.9Å; G65-T67 PolarHBondContact O-N 2.79Å; G65-L155 PolarHBondContact N-O 3.42Å; G65-L155 VanDerWaalsContact N-O 3.14Å | ||
| 66 | L | 82.5 | Confident | 78.8 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 114.9 | -174.1 | -60.4 | 173.2 | 0 | 0 | 0 | 110.2 | Q5 F9 I11 L64 Y152 S154 L155 T171 | Q5-L66 VanDerWaalsContact NE2-CD2 3.27Å; F9-L66 HydrophobicContact CD1-CD1 3.89Å; F9-L66 HydrophobicContact CD1-CD2 3.54Å; F9-L66 HydrophobicContact CD1-CG 4.38Å; F9-L66 HydrophobicContact CD2-CD2 4.31Å; F9-L66 HydrophobicContact CE1-CD1 3.9Å; F9-L66 HydrophobicContact CE1-CD2 3.54Å; F9-L66 HydrophobicContact CE1-CG 4.38Å; F9-L66 HydrophobicContact CE2-CD2 4.3Å; F9-L66 HydrophobicContact CG-CD2 3.94Å; F9-L66 HydrophobicContact CZ-CD2 3.93Å; I11-L66 HydrophobicContact CD1-CD1 4.2Å; I11-L66 HydrophobicContact CG1-CD1 3.96Å; L64-L66 HydrophobicContact CB-CD1 4.15Å; L64-L66 HydrophobicContact CB-CG 4.06Å; L64-L66 HydrophobicContact CD1-CD1 4.37Å; L64-L66 HydrophobicContact CD2-CD1 4.41Å; L64-L66 PolarHBondContact O-N 3.19Å; L64-L66 VanDerWaalsContact O-N 3.14Å; L66-Y152 PolarHBondContact O-OH 3.37Å; L66-S154 CarbonylContact O-C 3.5Å; L66-S154 WeakPolarHBondContact O-CA 3.3Å; L66-S154 WeakPolarHBondContact O-CB 3.21Å; L66-L155 HydrophobicContact CB-CB 4.29Å; L66-L155 HydrophobicContact CD1-CD2 4.4Å; L66-L155 PolarHBondContact N-O 3.06Å; L66-L155 PolarHBondContact O-N 3.3Å; L66-T171 HydrophobicContact CB-CG2 4.49Å; L66-T171 HydrophobicContact CD1-CG2 4.49Å |
| 67 | T | 81.2 | Confident | 78.6 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | trans | -83.7 | -16 | -172.5 | 42.4 | 0 | 0 | 0 | 0 | 115.3 | Q5 G65 Y152 H153 | Q5-T67 PolarHBondContact OE1-OG1 2.76Å; G65-T67 PolarHBondContact O-N 2.79Å; T67-Y152 VanDerWaalsContact O-CE1 3.26Å; T67-Y152 WeakPolarHBondContact O-CE1 3.35Å; T67-H153 WeakPolarHBondContact CG2-O 3.15Å | ||
| 68 | G | 81.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -57.5 | 140.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y70 Y152 D173 | G68-Y70 PolarHBondContact O-N 3.41Å; G68-Y152 VanDerWaalsContact O-CE1 3.28Å; G68-Y152 WeakPolarHBondContact O-CE1 3.38Å; G68-Y152 PolarHBondContact O-OH 2.78Å; G68-D173 VanDerWaalsContact CA-OD1 3.25Å; G68-D173 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 69 | E | 83.2 | Confident | 78.3 | Confident | 42 Ų | 42 | 44 Ų | 44 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -65.4 | -37.9 | -172.2 | -173.5 | 168 | -100.1 | 0 | 0 | 113.9 | L140 R141 D173 | E69-L140 PolarHBondContact O-N 3.28Å; E69-R141 HydrophobicContact CG-CB 4.05Å; E69-R141 WeakPolarHBondContact OE1-CD 3.46Å; E69-R141 IonicContact OE1-CZ 2.64Å; E69-R141 IonicContact OE1-NE 2.87Å; E69-R141 IonicContact OE1-NH1 2.63Å; E69-R141 PolarHBondContact OE1-NH1 2.86Å; E69-D173 PolarHBondContact N-OD1 2.82Å |
| 70 | Y | 86.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.5 | -179.5 | -54.2 | -81.1 | 0 | 0 | 0 | 111.5 | G68 Y72 R137 F138 D139 T171 S172 D173 K175 | G68-Y70 PolarHBondContact O-N 3.41Å; Y70-Y72 HydrophobicContact CG-CE2 4.38Å; Y70-R137 HydrophobicContact CD1-CG 4.01Å; Y70-F138 CarbonylContact C-O 3.47Å; Y70-F138 WeakPolarHBondContact CA-O 3.23Å; Y70-D139 HydrophobicContact CD1-CB 4.06Å; Y70-D139 HydrophobicContact CE1-CB 3.86Å; Y70-D139 WeakPolarHBondContact CE1-OD2 3.23Å; Y70-T171 CarbonylContact O-C 2.88Å; Y70-T171 VanDerWaalsContact O-CA 3.24Å; Y70-T171 WeakPolarHBondContact O-CA 3.41Å; Y70-S172 WeakPolarHBondContact CB-O 3.13Å; Y70-S172 WeakPolarHBondContact CD2-O 3.22Å; Y70-S172 PolarHBondContact N-O 2.79Å; Y70-S172 PolarHBondContact O-N 3.07Å; Y70-D173 WeakPolarHBondContact CE2-O 3.48Å; Y70-K175 HydrophobicContact CD2-CG 4.38Å; Y70-K175 HydrophobicContact CE1-CG 4.2Å; Y70-K175 HydrophobicContact CE2-CG 3.9Å; Y70-K175 WeakPolarHBondContact OH-CE 3.38Å |
| 71 | L | 90.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.9 | 165.2 | 169.4 | 65.7 | 0 | 0 | 0 | 109 | I11 L73 F87 F138 L140 L155 T171 | I11-L71 HydrophobicContact CD1-CD1 4.05Å; L71-L73 HydrophobicContact CD1-CD2 4.15Å; L71-L73 HydrophobicContact CG-CD2 4.5Å; L71-L73 HydrophobicContact CG-CG 4.47Å; L71-F87 HydrophobicContact CD2-CD1 4.02Å; L71-F87 HydrophobicContact CD2-CE1 4.31Å; L71-F87 HydrophobicContact CD2-CG 4.14Å; L71-F138 HydrophobicContact CB-CB 4.26Å; L71-F138 HydrophobicContact CD2-CD2 4.43Å; L71-F138 HydrophobicContact CG-CD2 4.37Å; L71-F138 PolarHBondContact N-O 3.31Å; L71-F138 PolarHBondContact O-N 2.94Å; L71-L140 HydrophobicContact CB-CD1 3.87Å; L71-L140 HydrophobicContact CB-CD2 4.18Å; L71-L140 HydrophobicContact CB-CG 4.07Å; L71-L140 HydrophobicContact CD2-CD2 4.48Å; L71-L155 HydrophobicContact CD1-CD2 4.24Å; L71-L155 HydrophobicContact CD2-CD2 4.43Å; L71-T171 HydrophobicContact CB-CG2 4.42Å; L71-T171 HydrophobicContact CD1-CG2 3.97Å |
| 72 | Y | 89.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127 | 174.3 | -71.7 | -94.8 | 0 | 0 | 0 | 110.3 | Y70 V135 L136 R137 A169 F170 S172 K175 Y176 | Y70-Y72 HydrophobicContact CG-CE2 4.38Å; Y72-V135 HydrophobicContact CD1-CG1 4.04Å; Y72-L136 WeakPolarHBondContact CA-O 3.26Å; Y72-R137 HydrophobicContact CD1-CB 4.14Å; Y72-R137 HydrophobicContact CD1-CG 4.32Å; Y72-R137 HydrophobicContact CE1-CB 3.75Å; Y72-R137 HydrophobicContact CE1-CG 3.64Å; Y72-R137 HydrophobicContact CE2-CG 4.26Å; Y72-R137 WeakPolarHBondContact OH-CD 3.24Å; Y72-A169 WeakPolarHBondContact O-CA 3.29Å; Y72-F170 VanDerWaalsContact CB-CE1 3.4Å; Y72-F170 HydrophobicContact CD1-CE2 4.43Å; Y72-F170 AromaticContact CD1-CZ 3.94Å; Y72-F170 HydrophobicContact CD1-CZ 3.94Å; Y72-F170 AromaticContact CD2-CD2 3.97Å; Y72-F170 HydrophobicContact CD2-CD2 3.97Å; Y72-F170 AromaticContact CD2-CE2 3.33Å; Y72-F170 HydrophobicContact CD2-CE2 3.33Å; Y72-F170 AromaticContact CD2-CZ 3.69Å; Y72-F170 HydrophobicContact CD2-CZ 3.69Å; Y72-F170 HydrophobicContact CE2-CE2 4.07Å; Y72-F170 HydrophobicContact CE2-CZ 4.48Å; Y72-F170 HydrophobicContact CG-CD2 4.28Å; Y72-F170 AromaticContact CG-CE1 3.98Å; Y72-F170 HydrophobicContact CG-CE1 3.98Å; Y72-F170 AromaticContact CG-CE2 3.56Å; Y72-F170 HydrophobicContact CG-CE2 3.56Å; Y72-F170 AromaticContact CG-CZ 3.38Å; Y72-F170 HydrophobicContact CG-CZ 3.38Å; Y72-F170 PolarHBondContact N-O 3.27Å; Y72-F170 PolarHBondContact O-N 3.09Å; Y72-S172 WeakPolarHBondContact CE2-OG 3.46Å; Y72-K175 WeakPolarHBondContact OH-CA 3.39Å; Y72-Y176 HydrophobicContact CE2-CD2 4.19Å; Y72-Y176 PolarHBondContact OH-N 2.86Å; Y72-Y176 PolarHBondContact OH-O 3.16Å |
| 73 | L | 89.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.7 | 166.9 | -58.3 | -178.4 | 0 | 0 | 0 | 108.9 | L71 L75 V85 L136 F138 L158 L160 A168 A169 | L71-L73 HydrophobicContact CD1-CD2 4.15Å; L71-L73 HydrophobicContact CG-CD2 4.5Å; L71-L73 HydrophobicContact CG-CG 4.47Å; L73-L75 HydrophobicContact CB-CD2 4.34Å; L73-L75 HydrophobicContact CD1-CD2 4.49Å; L73-V85 HydrophobicContact CD1-CG1 3.62Å; L73-V85 HydrophobicContact CD1-CG2 4.33Å; L73-L136 HydrophobicContact CB-CB 4.43Å; L73-L136 PolarHBondContact N-O 3.03Å; L73-L136 PolarHBondContact O-N 3.25Å; L73-F138 HydrophobicContact CD1-CE2 3.97Å; L73-F138 HydrophobicContact CG-CE2 4.26Å; L73-L158 HydrophobicContact CD2-CD2 4.3Å; L73-L160 HydrophobicContact CD1-CD2 4.43Å; L73-A168 WeakPolarHBondContact CA-O 3.44Å; L73-A169 HydrophobicContact CD2-CB 3.47Å; L73-A169 VanDerWaalsContact CD2-CB 3.47Å |
| 74 | I | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 105.4 | 171.4 | -53.5 | -175.3 | 0 | 0 | 0 | 107.1 | W133 V135 Y167 A168 L194 F198 F211 | I74-W133 HydrophobicContact CG2-CE3 4.1Å; I74-V135 HydrophobicContact CD1-CG2 4.39Å; I74-V135 HydrophobicContact CG1-CG1 4.32Å; I74-V135 HydrophobicContact CG1-CG2 4.17Å; I74-V135 HydrophobicContact CG2-CG2 4.43Å; I74-Y167 HydrophobicContact CB-CD1 4.48Å; I74-Y167 HydrophobicContact CD1-CD1 4.31Å; I74-Y167 HydrophobicContact CG2-CD1 4.19Å; I74-Y167 PolarHBondContact O-N 3.4Å; I74-A168 HydrophobicContact CB-CB 4.09Å; I74-A168 HydrophobicContact CD1-CB 3.96Å; I74-A168 HydrophobicContact CG1-CB 4.01Å; I74-A168 PolarHBondContact N-O 3.39Å; I74-A168 PolarHBondContact O-N 3.2Å; I74-L194 HydrophobicContact CD1-CD1 4.41Å; I74-F198 HydrophobicContact CD1-CB 4.21Å; I74-F211 HydrophobicContact CG2-CD1 4.49Å; I74-F211 HydrophobicContact CG2-CE1 3.88Å |
| 75 | L | 89 | Confident | 82.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.9 | -173.3 | 65 | 73.2 | 0 | 0 | 0 | 113.5 | L73 V85 L122 W133 V134 L136 L165 I166 | L73-L75 HydrophobicContact CB-CD2 4.34Å; L73-L75 HydrophobicContact CD1-CD2 4.49Å; L75-V85 HydrophobicContact CD2-CG2 4.13Å; L75-L122 HydrophobicContact CD1-CD1 4.42Å; L75-W133 VanDerWaalsContact C-CE3 3.45Å; L75-V134 PolarHBondContact N-O 2.96Å; L75-V134 PolarHBondContact O-N 2.87Å; L75-L136 HydrophobicContact CD1-CD1 4.15Å; L75-L136 HydrophobicContact CD2-CD1 3.8Å; L75-L136 HydrophobicContact CG-CD1 4Å; L75-L165 CarbonylContact C-O 3.52Å; L75-L165 WeakPolarHBondContact CA-O 3.2Å; L75-L165 VanDerWaalsContact CB-O 3.27Å; L75-L165 WeakPolarHBondContact CB-O 3.33Å; L75-I166 HydrophobicContact CB-CG1 4.22Å |
| 76 | R | 85.2 | Confident | 82.8 | Confident | 24 Ų | 24 | 34.6 Ų | 34.6 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 109.2 | 175.7 | 178.7 | -176.9 | -156.8 | -158.3 | -1.6 | 108.1 | D34 E130 P131 W133 L165 | D34-R76 IonicContact OD1-CZ 2.71Å; D34-R76 IonicContact OD1-NH1 2.78Å; D34-R76 PolarHBondContact OD1-NH1 3.24Å; R76-E130 IonicContact CZ-OE2 3.2Å; R76-E130 IonicContact NH1-OE2 2.88Å; R76-E130 IonicContact NH2-OE2 3.53Å; R76-E130 PolarHBondContact NH2-OE2 3.08Å; R76-P131 HydrophobicContact CG-CG 4.29Å; R76-P131 PolarHBondContact NE-O 3.07Å; R76-P131 PolarHBondContact NH2-O 2.92Å; R76-W133 HydrophobicContact CB-CD2 3.6Å; R76-W133 HydrophobicContact CB-CE3 3.66Å; R76-W133 HydrophobicContact CB-CG 4.19Å; R76-W133 HydrophobicContact CB-CH2 4.01Å; R76-W133 HydrophobicContact CB-CZ2 3.96Å; R76-W133 HydrophobicContact CB-CZ3 3.87Å; R76-W133 HydrophobicContact CG-CD2 4.43Å; R76-L165 HydrophobicContact CB-CB 4.22Å; R76-L165 HydrophobicContact CB-CD1 4.5Å; R76-L165 HydrophobicContact CG-CD1 4.43Å; R76-L165 PolarHBondContact N-O 3.11Å; R76-L165 PolarHBondContact O-N 3.15Å |
| 77 | P | 81 | Confident | 83.2 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.4 | 179.2 | 30.5 | -34.7 | 0 | 0 | 0 | 110.5 | F83 L122 P131 | P77-F83 HydrophobicContact CB-CD1 3.83Å; P77-F83 HydrophobicContact CB-CE1 4.16Å; P77-L122 HydrophobicContact CG-CB 4.33Å; P77-L122 HydrophobicContact CG-CD1 4.48Å; P77-L122 HydrophobicContact CG-CD2 4.07Å; P77-P131 WeakPolarHBondContact O-CG 3.49Å |
| 78 | L | 78.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 20% | 0.199 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 136.9 | 178.6 | -62.3 | 177.1 | 0 | 0 | 0 | 111 | L43 D45 N80 K81 S163 L165 | L43-L78 HydrophobicContact CD1-CD1 3.78Å; D45-L78 HydrophobicContact CB-CD1 4.26Å; L78-N80 PolarHBondContact O-N 2.81Å; L78-K81 HydrophobicContact CB-CB 4.4Å; L78-K81 HydrophobicContact CB-CD 4.31Å; L78-K81 PolarHBondContact O-N 2.62Å; L78-K81 VanDerWaalsContact O-N 3.07Å; L78-S163 PolarHBondContact N-O 2.98Å; L78-L165 HydrophobicContact CD2-CD1 3.8Å; L78-L165 HydrophobicContact CD2-CG 4.04Å |
| 79 | K | 70 | Confident | 83.9 | Confident | 86 Ų | 86 | 31.6 Ų | 31.6 | 37% | 0.374 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.4 | -172.2 | -163.2 | 171.5 | -168.5 | 172.7 | 0 | 111.6 | K81 L128 E129 | K79-K81 PolarHBondContact O-N 3.13Å; K79-L128 WeakPolarHBondContact CE-O 3.06Å; K79-L128 PolarHBondContact NZ-O 2.78Å; K79-E129 PolarHBondContact NZ-O 2.95Å |
| 80 | N | 68.1 | Low | 83.9 | Confident | 149 Ų | 149 | 34.3 Ų | 34.3 | 80% | 0.797 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 5.7 | -177.2 | -63.3 | -7.7 | 0 | 0 | 0 | 117.1 | L78 | L78-N80 PolarHBondContact O-N 2.81Š|
| 81 | K | 75 | Confident | 83.6 | Confident | 76 Ų | 76 | 34 Ų | 34 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | trans | -99.4 | 154.9 | 178.3 | -57.2 | -168.1 | -178.6 | -175.9 | 0 | 112.1 | D45 L78 K79 N103 S163 | D45-K81 WeakPolarHBondContact OD1-CD 3.34Å; D45-K81 IonicContact OD1-NZ 3.22Å; D45-K81 PolarHBondContact OD1-NZ 3.37Å; D45-K81 IonicContact OD2-NZ 3.39Å; D45-K81 PolarHBondContact OD2-NZ 2.7Å; L78-K81 HydrophobicContact CB-CB 4.4Å; L78-K81 HydrophobicContact CB-CD 4.31Å; L78-K81 PolarHBondContact O-N 2.62Å; L78-K81 VanDerWaalsContact O-N 3.07Å; K79-K81 PolarHBondContact O-N 3.13Å; K81-N103 PolarHBondContact O-ND2 2.77Å; K81-S163 WeakPolarHBondContact CD-OG 3.49Å | ||
| 82 | K | 77.5 | Confident | 82.7 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 53% | 0.53 | 18% | 0.183 | S | C | . | . | trans | -90.1 | 137.2 | 180 | -69.9 | 172.3 | -176.3 | 170.1 | 0 | 109.7 | N103 A104 C162 | K82-N103 WeakPolarHBondContact CA-OD1 3.46Å; K82-A104 HydrophobicContact CB-CB 4.44Å; K82-A104 HydrophobicContact CD-CB 4.02Å; K82-A104 HydrophobicContact CG-CB 4.2Å; K82-C162 WeakPolarHBondContact O-CB 3.44Å | ||
| 83 | F | 83.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.4 | 176.9 | 82.2 | -99.1 | 0 | 0 | 0 | 111.4 | P77 V85 T102 N103 L119 L122 L164 | P77-F83 HydrophobicContact CB-CD1 3.83Å; P77-F83 HydrophobicContact CB-CE1 4.16Å; F83-V85 HydrophobicContact CD2-CG2 4.17Å; F83-V85 HydrophobicContact CE2-CG2 4.21Å; F83-T102 WeakPolarHBondContact O-CA 3.43Å; F83-T102 VanDerWaalsContact O-CB 3.3Å; F83-T102 WeakPolarHBondContact O-CB 3.46Å; F83-T102 PolarHBondContact O-OG1 3.41Å; F83-N103 HydrophobicContact CD1-CB 4.04Å; F83-N103 VanDerWaalsContact CD1-CG 3.46Å; F83-N103 WeakPolarHBondContact CD1-ND2 3.43Å; F83-N103 HydrophobicContact CE1-CB 3.68Å; F83-N103 HydrophobicContact CZ-CB 4.41Å; F83-N103 PolarHBondContact N-OD1 3.43Å; F83-L119 HydrophobicContact CZ-CB 4.49Å; F83-L122 HydrophobicContact CE1-CB 3.99Å; F83-L122 HydrophobicContact CE1-CD1 3.72Å; F83-L122 HydrophobicContact CZ-CD1 3.61Å; F83-L164 HydrophobicContact CB-CB 4.27Å; F83-L164 HydrophobicContact CB-CD2 3.87Å; F83-L164 HydrophobicContact CD2-CD2 4.42Å |
| 84 | L | 83.3 | Confident | 81.2 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 111.4 | 176.7 | -174.4 | 149.7 | 0 | 0 | 0 | 111.4 | R86 T100 C161 | L84-R86 HydrophobicContact CD2-CB 4.12Å; L84-T100 HydrophobicContact CD1-CG2 3.78Å; L84-T100 HydrophobicContact CD2-CG2 3.71Å; L84-T100 HydrophobicContact CG-CG2 3.65Å; L84-C161 HydrophobicContact CB-CB 4.22Å; L84-C161 HydrophobicContact CD2-CB 4.36Å; L84-C161 PolarHBondContact N-O 3.26Å; L84-C161 WeakPolarHBondContact O-CB 3.23Å; L84-C161 PolarHBondContact O-N 3.16Å; L84-C161 PolarHBondContact O-SG 2.91Å; L84-C161 VanDerWaalsContact O-SG 3.35Å |
| 85 | V | 86.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.3 | 171.6 | 171 | 0 | 0 | 0 | 0 | 107.9 | L73 L75 F83 F87 T100 V101 L160 | L73-V85 HydrophobicContact CD1-CG1 3.62Å; L73-V85 HydrophobicContact CD1-CG2 4.33Å; L75-V85 HydrophobicContact CD2-CG2 4.13Å; F83-V85 HydrophobicContact CD2-CG2 4.17Å; F83-V85 HydrophobicContact CE2-CG2 4.21Å; V85-F87 HydrophobicContact CG1-CD1 4.06Å; V85-F87 HydrophobicContact CG1-CE1 4.27Å; V85-T100 CarbonylContact O-C 3.49Å; V85-T100 WeakPolarHBondContact O-CA 3.45Å; V85-V101 HydrophobicContact CB-CB 4.36Å; V85-V101 PolarHBondContact N-O 3.26Å; V85-V101 PolarHBondContact O-N 3.27Å; V85-L160 HydrophobicContact CB-CD2 4.29Å; V85-L160 HydrophobicContact CG1-CD2 3.9Å; V85-L160 HydrophobicContact CG2-CD2 3.94Å |
| 86 | R | 88.4 | Confident | 80 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.9 | 174.9 | 169.4 | 169.2 | -72.8 | 176.7 | -2.8 | 110 | L84 R98 V99 T100 K159 | L84-R86 HydrophobicContact CD2-CB 4.12Å; R86-R98 HydrophobicContact CG-CG 4.22Å; R86-V99 CarbonylContact C-O 3.54Å; R86-V99 WeakPolarHBondContact CA-O 3.41Å; R86-T100 HydrophobicContact CB-CG2 4.42Å; R86-T100 PolarHBondContact NE-OG1 2.87Å; R86-T100 PolarHBondContact NH2-OG1 3.04Å; R86-K159 HydrophobicContact CB-CB 4.26Å; R86-K159 HydrophobicContact CB-CG 4.45Å; R86-K159 PolarHBondContact N-O 3.2Å; R86-K159 PolarHBondContact O-N 3.1Å; R86-K159 VanDerWaalsContact O-O 3.11Å |
| 87 | F | 90.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.8 | 169.4 | 41.6 | -86.6 | 0 | 0 | 0 | 110.2 | L71 V85 V99 V101 F138 L140 L155 R157 L158 | L71-F87 HydrophobicContact CD2-CD1 4.02Å; L71-F87 HydrophobicContact CD2-CE1 4.31Å; L71-F87 HydrophobicContact CD2-CG 4.14Å; V85-F87 HydrophobicContact CG1-CD1 4.06Å; V85-F87 HydrophobicContact CG1-CE1 4.27Å; F87-V99 HydrophobicContact CD2-CB 3.66Å; F87-V99 HydrophobicContact CD2-CG1 4.24Å; F87-V99 HydrophobicContact CD2-CG2 4.19Å; F87-V99 HydrophobicContact CE1-CG1 4.25Å; F87-V99 HydrophobicContact CE2-CB 3.39Å; F87-V99 HydrophobicContact CE2-CG1 3.51Å; F87-V99 HydrophobicContact CE2-CG2 3.86Å; F87-V99 HydrophobicContact CG-CB 4.36Å; F87-V99 HydrophobicContact CZ-CB 3.91Å; F87-V99 HydrophobicContact CZ-CG1 3.52Å; F87-V99 PolarHBondContact N-O 3.29Å; F87-V99 PolarHBondContact O-N 3.18Å; F87-V99 VanDerWaalsContact O-O 3.05Å; F87-V101 HydrophobicContact CE1-CG2 3.86Å; F87-V101 HydrophobicContact CZ-CG2 4.17Å; F87-F138 HydrophobicContact CE1-CD1 4.18Å; F87-F138 HydrophobicContact CE1-CD2 4.36Å; F87-F138 HydrophobicContact CE1-CE1 4.2Å; F87-F138 HydrophobicContact CE1-CE2 4.37Å; F87-F138 HydrophobicContact CE1-CG 4.26Å; F87-F138 HydrophobicContact CE1-CZ 4.28Å; F87-F138 HydrophobicContact CZ-CB 4.38Å; F87-F138 AromaticContact CZ-CD1 3.82Å; F87-F138 HydrophobicContact CZ-CD1 3.82Å; F87-F138 HydrophobicContact CZ-CE1 4.2Å; F87-F138 AromaticContact CZ-CG 3.99Å; F87-F138 HydrophobicContact CZ-CG 3.99Å; F87-L140 HydrophobicContact CD2-CD2 3.77Å; F87-L140 HydrophobicContact CE2-CD2 3.28Å; F87-L140 HydrophobicContact CZ-CD2 4.01Å; F87-L155 HydrophobicContact CB-CD1 3.56Å; F87-L155 HydrophobicContact CG-CD1 4.48Å; F87-R157 CarbonylContact C-O 3.54Å; F87-R157 VanDerWaalsContact CA-O 3.24Å; F87-R157 WeakPolarHBondContact CA-O 3.13Å; F87-L158 HydrophobicContact CB-CD1 4.06Å |
| 88 | D | 90.1 | Very high | 80.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.2 | 176.4 | -60.1 | -24.1 | 0 | 0 | 0 | 107.5 | V96 R98 S156 R157 | D88-V96 HydrophobicContact CB-CG1 3.72Å; D88-R98 WeakPolarHBondContact OD1-CB 3.5Å; D88-R98 VanDerWaalsContact OD1-CG 3.23Å; D88-R98 WeakPolarHBondContact OD1-CG 3.36Å; D88-R98 IonicContact OD1-CZ 3.78Å; D88-R98 IonicContact OD1-NE 3.99Å; D88-R98 PolarHBondContact OD1-NE 3.17Å; D88-R98 IonicContact OD1-NH2 3.71Å; D88-R98 PolarHBondContact OD1-NH2 3.06Å; D88-R98 IonicContact OD2-CZ 2.9Å; D88-R98 IonicContact OD2-NE 3.22Å; D88-R98 IonicContact OD2-NH2 2.69Å; D88-R98 PolarHBondContact OD2-NH2 3.31Å; D88-S156 VanDerWaalsContact C-OG 3.31Å; D88-S156 WeakPolarHBondContact O-CA 3.06Å; D88-S156 WeakPolarHBondContact O-CB 2.83Å; D88-S156 PolarHBondContact O-N 3.14Å; D88-S156 PolarHBondContact O-OG 3.15Å; D88-R157 HydrophobicContact CB-CB 3.94Å; D88-R157 PolarHBondContact N-O 2.77Å; D88-R157 PolarHBondContact O-N 3.36Å; D88-R157 VanDerWaalsContact O-N 3.12Å |
| 89 | C | 86.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.1 | -179.6 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | Y97 I144 Y152 S154 | C89-Y97 PolarHBondContact N-O 3.32Å; C89-Y97 PolarHBondContact O-N 3.1Å; C89-I144 HydrophobicContact CB-CD1 3.51Å; C89-Y152 HydrophobicContact CB-CD2 4.02Å; C89-Y152 HydrophobicContact CB-CE2 4.12Å; C89-S154 CarbonylContact C-O 3.57Å; C89-S154 WeakPolarHBondContact CA-O 3.24Å |
| 90 | R | 83.3 | Confident | 81.5 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.5 | 168.1 | -170.2 | 166.1 | 176.9 | 154.2 | -3 | 108.8 | S94 V95 H153 S154 | R90-S94 WeakPolarHBondContact CG-O 3.24Å; R90-V95 CarbonylContact C-O 3.4Å; R90-V95 WeakPolarHBondContact CA-O 3.26Å; R90-H153 WeakPolarHBondContact O-CB 3.27Å; R90-H153 PolarHBondContact O-N 2.85Å; R90-H153 VanDerWaalsContact O-N 3.1Å; R90-S154 PolarHBondContact N-O 3.45Å; R90-S154 PolarHBondContact O-N 2.88Å |
| 91 | T | 81.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 170.9 | 178.6 | 69.8 | 0 | 0 | 0 | 0 | 110.3 | S93 S94 V95 Y150 H151 | T91-S93 PolarHBondContact O-N 3.08Å; T91-S93 PolarHBondContact OG1-N 2.87Å; T91-S93 PolarHBondContact OG1-OG 3.35Å; T91-S93 VanDerWaalsContact OG1-OG 3.06Å; T91-S94 PolarHBondContact O-N 3.21Å; T91-V95 WeakPolarHBondContact CG2-O 3.48Å; T91-V95 PolarHBondContact N-O 3.01Å; T91-V95 PolarHBondContact OG1-N 3.22Å; T91-V95 PolarHBondContact OG1-O 3.33Å; T91-Y150 HydrophobicContact CG2-CD1 4.35Å; T91-Y150 HydrophobicContact CG2-CG 3.9Å; T91-H151 CarbonylContact C-O 3.05Å; T91-H151 WeakPolarHBondContact CA-O 3.09Å; T91-H151 VanDerWaalsContact CB-O 3.29Å; T91-H151 WeakPolarHBondContact CB-O 3.27Å |
| 92 | K | 71.6 | Confident | 82.9 | Confident | 142 Ų | 142 | 37.7 Ų | 37.7 | 62% | 0.617 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -31.8 | 173.5 | -72.6 | -164.8 | 173.1 | -164 | 0 | 112.9 | S94 H151 H153 | K92-S94 PolarHBondContact O-N 3.38Å; K92-H151 HydrophobicContact CD-CB 4.21Å; K92-H151 HydrophobicContact CG-CB 4.19Å; K92-H151 PolarHBondContact N-O 3.41Å; K92-H153 HydrophobicContact CG-CB 4.04Å |
| 93 | S | 71.7 | Confident | 83 | Confident | 51 Ų | 51 | 33 Ų | 33 | 36% | 0.357 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 27.2 | 177 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | T91 V95 Y150 | T91-S93 PolarHBondContact O-N 3.08Å; T91-S93 PolarHBondContact OG1-N 2.87Å; T91-S93 PolarHBondContact OG1-OG 3.35Å; T91-S93 VanDerWaalsContact OG1-OG 3.06Å; S93-V95 PolarHBondContact O-N 2.71Å; S93-Y150 WeakPolarHBondContact OG-CD1 3.4Å |
| 94 | S | 74.8 | Confident | 82.5 | Confident | 58 Ų | 58 | 35 Ų | 35 | 41% | 0.406 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 59.9 | -14.4 | -175 | 84.1 | 0 | 0 | 0 | 0 | 118.1 | R90 T91 K92 | R90-S94 WeakPolarHBondContact CG-O 3.24Å; T91-S94 PolarHBondContact O-N 3.21Å; K92-S94 PolarHBondContact O-N 3.38Å |
| 95 | V | 72.5 | Confident | 81.9 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | trans | -58.6 | 141.4 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | R90 T91 S93 F113 Y150 | R90-V95 CarbonylContact C-O 3.4Å; R90-V95 WeakPolarHBondContact CA-O 3.26Å; T91-V95 WeakPolarHBondContact CG2-O 3.48Å; T91-V95 PolarHBondContact N-O 3.01Å; T91-V95 PolarHBondContact OG1-N 3.22Å; T91-V95 PolarHBondContact OG1-O 3.33Å; S93-V95 PolarHBondContact O-N 2.71Å; V95-F113 HydrophobicContact CG1-CD1 3.47Å; V95-F113 VanDerWaalsContact CG1-CD1 3.47Å; V95-F113 HydrophobicContact CG1-CE1 3.64Å; V95-F113 HydrophobicContact CG2-CE1 4.5Å; V95-Y150 HydrophobicContact CB-CE1 4.43Å; V95-Y150 HydrophobicContact CG1-CE1 4.47Å; V95-Y150 HydrophobicContact CG2-CE1 4.3Å | ||
| 96 | V | 80.9 | Confident | 81.2 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 38% | 0.382 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 99.4 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | D88 | D88-V96 HydrophobicContact CB-CG1 3.72Å |
| 97 | Y | 81.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 117.8 | -179.4 | -166.1 | -90.7 | 0 | 0 | 0 | 111.6 | C89 V99 N112 L115 I144 Y147 Y150 | C89-Y97 PolarHBondContact N-O 3.32Å; C89-Y97 PolarHBondContact O-N 3.1Å; Y97-V99 HydrophobicContact CD1-CG2 4.2Å; Y97-V99 HydrophobicContact CE1-CG2 4.35Å; Y97-N112 WeakPolarHBondContact CE2-O 3.38Å; Y97-L115 HydrophobicContact CE1-CB 3.72Å; Y97-I144 HydrophobicContact CD1-CG1 4.32Å; Y97-Y147 PolarHBondContact OH-O 2.85Å; Y97-Y150 AromaticContact CD2-CD2 3.81Å; Y97-Y150 HydrophobicContact CD2-CD2 3.81Å; Y97-Y150 HydrophobicContact CD2-CE2 4.14Å; Y97-Y150 HydrophobicContact CE2-CD2 4.24Å; Y97-Y150 HydrophobicContact CE2-CE2 4.48Å |
| 98 | R | 90.2 | Very high | 79.4 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 37% | 0.366 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 101.9 | -167.6 | 166.2 | 168.7 | -75.2 | 147 | 8.1 | 112.5 | R86 D88 F113 S114 L115 | R86-R98 HydrophobicContact CG-CG 4.22Å; D88-R98 WeakPolarHBondContact OD1-CB 3.5Å; D88-R98 VanDerWaalsContact OD1-CG 3.23Å; D88-R98 WeakPolarHBondContact OD1-CG 3.36Å; D88-R98 IonicContact OD1-CZ 3.78Å; D88-R98 IonicContact OD1-NE 3.99Å; D88-R98 PolarHBondContact OD1-NE 3.17Å; D88-R98 IonicContact OD1-NH2 3.71Å; D88-R98 PolarHBondContact OD1-NH2 3.06Å; D88-R98 IonicContact OD2-CZ 2.9Å; D88-R98 IonicContact OD2-NE 3.22Å; D88-R98 IonicContact OD2-NH2 2.69Å; D88-R98 PolarHBondContact OD2-NH2 3.31Å; R98-F113 WeakPolarHBondContact CB-O 3.35Å; R98-F113 PolarHBondContact N-O 3.37Å; R98-S114 CarbonylContact O-C 3.55Å; R98-S114 WeakPolarHBondContact O-CA 3.18Å; R98-S114 VanDerWaalsContact O-CB 3.24Å; R98-S114 WeakPolarHBondContact O-CB 3.3Å; R98-L115 PolarHBondContact O-N 3.1Å |
| 99 | V | 87.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.1 | 172 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | R86 F87 Y97 V101 L115 I143 I144 | R86-V99 CarbonylContact C-O 3.54Å; R86-V99 WeakPolarHBondContact CA-O 3.41Å; F87-V99 HydrophobicContact CD2-CB 3.66Å; F87-V99 HydrophobicContact CD2-CG1 4.24Å; F87-V99 HydrophobicContact CD2-CG2 4.19Å; F87-V99 HydrophobicContact CE1-CG1 4.25Å; F87-V99 HydrophobicContact CE2-CB 3.39Å; F87-V99 HydrophobicContact CE2-CG1 3.51Å; F87-V99 HydrophobicContact CE2-CG2 3.86Å; F87-V99 HydrophobicContact CG-CB 4.36Å; F87-V99 HydrophobicContact CZ-CB 3.91Å; F87-V99 HydrophobicContact CZ-CG1 3.52Å; F87-V99 PolarHBondContact N-O 3.29Å; F87-V99 PolarHBondContact O-N 3.18Å; F87-V99 VanDerWaalsContact O-O 3.05Å; Y97-V99 HydrophobicContact CD1-CG2 4.2Å; Y97-V99 HydrophobicContact CE1-CG2 4.35Å; V99-V101 HydrophobicContact CG1-CG2 4.17Å; V99-L115 CarbonylContact C-O 3.48Å; V99-L115 WeakPolarHBondContact CA-O 3.36Å; V99-L115 HydrophobicContact CG1-CD2 4.12Å; V99-L115 HydrophobicContact CG1-CG 4.43Å; V99-L115 HydrophobicContact CG2-CB 4.41Å; V99-L115 HydrophobicContact CG2-CD2 4.31Å; V99-I143 HydrophobicContact CG1-CG2 4.31Å; V99-I143 HydrophobicContact CG2-CG2 4.21Å; V99-I144 HydrophobicContact CG2-CG1 4.48Å |
| 100 | T | 87 | Confident | 77.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.2 | 178.5 | -50.6 | 0 | 0 | 0 | 0 | 107.9 | L84 V85 R86 L115 C116 L117 | L84-T100 HydrophobicContact CD1-CG2 3.78Å; L84-T100 HydrophobicContact CD2-CG2 3.71Å; L84-T100 HydrophobicContact CG-CG2 3.65Å; V85-T100 CarbonylContact O-C 3.49Å; V85-T100 WeakPolarHBondContact O-CA 3.45Å; R86-T100 HydrophobicContact CB-CG2 4.42Å; R86-T100 PolarHBondContact NE-OG1 2.87Å; R86-T100 PolarHBondContact NH2-OG1 3.04Å; T100-L115 PolarHBondContact N-O 3.16Å; T100-C116 CarbonylContact O-C 3.46Å; T100-C116 VanDerWaalsContact O-CA 3.26Å; T100-C116 WeakPolarHBondContact O-CA 3.06Å; T100-L117 PolarHBondContact O-N 2.78Å |
| 101 | V | 86.5 | Confident | 77.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 124.3 | -171.2 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | V85 F87 V99 L117 L119 F138 | V85-V101 HydrophobicContact CB-CB 4.36Å; V85-V101 PolarHBondContact N-O 3.26Å; V85-V101 PolarHBondContact O-N 3.27Å; F87-V101 HydrophobicContact CE1-CG2 3.86Å; F87-V101 HydrophobicContact CZ-CG2 4.17Å; V99-V101 HydrophobicContact CG1-CG2 4.17Å; V101-L117 WeakPolarHBondContact CA-O 3.36Å; V101-L117 HydrophobicContact CG2-CB 4.48Å; V101-L119 HydrophobicContact CG1-CB 4.14Å; V101-L119 HydrophobicContact CG1-CD1 3.72Å; V101-L119 HydrophobicContact CG1-CG 4.34Å; V101-F138 HydrophobicContact CB-CE1 4.45Å; V101-F138 HydrophobicContact CG1-CE1 4.08Å; V101-F138 HydrophobicContact CG1-CZ 4.15Å; V101-F138 HydrophobicContact CG2-CE1 3.77Å; V101-F138 HydrophobicContact CG2-CZ 4.18Å |
| 102 | T | 84.8 | Confident | 76.3 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143.9 | -171.6 | -178 | 0 | 0 | 0 | 0 | 113 | F83 A104 L105 L117 P118 L119 | F83-T102 WeakPolarHBondContact O-CA 3.43Å; F83-T102 VanDerWaalsContact O-CB 3.3Å; F83-T102 WeakPolarHBondContact O-CB 3.46Å; F83-T102 PolarHBondContact O-OG1 3.41Å; T102-A104 HydrophobicContact CG2-CB 4.42Å; T102-A104 PolarHBondContact O-N 2.76Å; T102-A104 WeakPolarHBondContact OG1-CB 3.41Å; T102-A104 PolarHBondContact OG1-N 2.83Å; T102-L105 HydrophobicContact CG2-CB 4.23Å; T102-L105 HydrophobicContact CG2-CD1 4.08Å; T102-L105 HydrophobicContact CG2-CG 3.91Å; T102-L117 PolarHBondContact N-O 2.93Å; T102-L117 VanDerWaalsContact N-O 3.12Å; T102-P118 CarbonylContact O-C 2.74Å; T102-P118 WeakPolarHBondContact O-CA 3.42Å; T102-L119 PolarHBondContact O-N 3Å |
| 103 | N | 80.4 | Confident | 76.4 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.5 | 167.7 | 66.7 | -11.1 | 0 | 0 | 0 | 113.3 | K81 K82 F83 L105 T123 | K81-N103 PolarHBondContact O-ND2 2.77Å; K82-N103 WeakPolarHBondContact CA-OD1 3.46Å; F83-N103 HydrophobicContact CD1-CB 4.04Å; F83-N103 VanDerWaalsContact CD1-CG 3.46Å; F83-N103 WeakPolarHBondContact CD1-ND2 3.43Å; F83-N103 HydrophobicContact CE1-CB 3.68Å; F83-N103 HydrophobicContact CZ-CB 4.41Å; F83-N103 PolarHBondContact N-OD1 3.43Å; N103-L105 VanDerWaalsContact C-N 3.35Å; N103-T123 HydrophobicContact CB-CG2 4.19Å |
| 104 | A | 73.2 | Confident | 76.7 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K82 T102 | K82-A104 HydrophobicContact CB-CB 4.44Å; K82-A104 HydrophobicContact CD-CB 4.02Å; K82-A104 HydrophobicContact CG-CB 4.2Å; T102-A104 HydrophobicContact CG2-CB 4.42Å; T102-A104 PolarHBondContact O-N 2.76Å; T102-A104 WeakPolarHBondContact OG1-CB 3.41Å; T102-A104 PolarHBondContact OG1-N 2.83Å |
| 105 | L | 71.6 | Confident | 77.3 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -113.8 | 146.3 | 175.1 | -67.8 | 178.9 | 0 | 0 | 0 | 110.5 | T102 N103 C116 P118 | T102-L105 HydrophobicContact CG2-CB 4.23Å; T102-L105 HydrophobicContact CG2-CD1 4.08Å; T102-L105 HydrophobicContact CG2-CG 3.91Å; N103-L105 VanDerWaalsContact C-N 3.35Å; L105-C116 HydrophobicContact CD1-CB 3.98Å; L105-C116 WeakPolarHBondContact CD1-SG 3.3Å; L105-P118 HydrophobicContact CB-CB 4.2Å; L105-P118 WeakPolarHBondContact O-CB 3.29Å | ||
| 106 | K | 70 | Confident | 77.8 | Confident | 194 Ų | 194 | 58.7 Ų | 58.7 | 84% | 0.843 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -94.9 | -19.1 | 171.6 | -65.4 | -170.2 | 176.2 | -171.3 | 0 | 113.9 | ||
| 107 | L | 69.3 | Low | 78 | Confident | 130 Ų | 130 | 56.1 Ų | 56.1 | 68% | 0.681 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -137.4 | 148.1 | -174.4 | -70.6 | 172.5 | 0 | 0 | 0 | 110.4 | ||
| 108 | P | 72.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | trans | -68.3 | 142.1 | 176.3 | 29.1 | -34.1 | 0 | 0 | 0 | 111.7 | C116 L117 | P108-C116 CarbonylContact C-O 3.6Å; P108-C116 VanDerWaalsContact CA-O 3.3Å; P108-C116 WeakPolarHBondContact CA-O 3.41Å; P108-L117 HydrophobicContact CB-CD2 4.26Å | ||
| 109 | K | 72.2 | Confident | 77.2 | Confident | 137 Ų | 137 | 53.1 Ų | 53.1 | 60% | 0.596 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.4 | 172.6 | -64.8 | -171.7 | 175 | -171.1 | 0 | 109 | C116 | K109-C116 HydrophobicContact CB-CB 4.3Å; K109-C116 PolarHBondContact N-O 2.69Å; K109-C116 PolarHBondContact O-N 3.2Å |
| 110 | V | 69.2 | Low | 75.8 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 145.9 | 179.7 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | L115 Y147 | V110-L115 HydrophobicContact CG2-CD1 3.89Å; V110-Y147 WeakPolarHBondContact CG1-O 3.34Å; V110-Y147 HydrophobicContact CG2-CD1 4.27Å |
| 111 | S | 71.6 | Confident | 74.4 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 159.4 | 172.5 | 64.6 | 0 | 0 | 0 | 0 | 109.1 | F113 S114 | S111-F113 PolarHBondContact O-N 3.22Å; S111-S114 PolarHBondContact N-O 3.26Å; S111-S114 PolarHBondContact O-N 2.87Å; S111-S114 VanDerWaalsContact O-O 3.09Å; S111-S114 PolarHBondContact OG-N 2.83Å; S111-S114 PolarHBondContact OG-O 3.31Å; S111-S114 PolarHBondContact OG-OG 2.8Å |
| 112 | N | 63.2 | Low | 72.9 | Confident | 130 Ų | 130 | 61.6 Ų | 61.6 | 70% | 0.695 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -31.4 | -167.9 | -58.4 | 21.5 | 0 | 0 | 0 | 114.5 | Y97 Y150 | Y97-N112 WeakPolarHBondContact CE2-O 3.38Å; N112-Y150 WeakPolarHBondContact O-CE2 3.35Å |
| 113 | F | 73.3 | Confident | 71.3 | Confident | 107 Ų | 107 | 65.5 Ų | 65.5 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 8.8 | 177.4 | -53.2 | -59.4 | 0 | 0 | 0 | 113.9 | V95 R98 S111 Y150 | V95-F113 HydrophobicContact CG1-CD1 3.47Å; V95-F113 VanDerWaalsContact CG1-CD1 3.47Å; V95-F113 HydrophobicContact CG1-CE1 3.64Å; V95-F113 HydrophobicContact CG2-CE1 4.5Å; R98-F113 WeakPolarHBondContact CB-O 3.35Å; R98-F113 PolarHBondContact N-O 3.37Å; S111-F113 PolarHBondContact O-N 3.22Å; F113-Y150 WeakPolarHBondContact CE1-OH 3.03Å |
| 114 | S | 79.5 | Confident | 69.7 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 27% | 0.266 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 138 | 173.8 | 76 | 0 | 0 | 0 | 0 | 115 | R98 S111 | R98-S114 CarbonylContact O-C 3.55Å; R98-S114 WeakPolarHBondContact O-CA 3.18Å; R98-S114 VanDerWaalsContact O-CB 3.24Å; R98-S114 WeakPolarHBondContact O-CB 3.3Å; S111-S114 PolarHBondContact N-O 3.26Å; S111-S114 PolarHBondContact O-N 2.87Å; S111-S114 VanDerWaalsContact O-O 3.09Å; S111-S114 PolarHBondContact OG-N 2.83Å; S111-S114 PolarHBondContact OG-O 3.31Å; S111-S114 PolarHBondContact OG-OG 2.8Å |
| 115 | L | 86 | Confident | 68.6 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.3 | 174.6 | 171.5 | 64 | 0 | 0 | 0 | 108.7 | Y97 R98 V99 T100 V110 L117 I143 Y147 | Y97-L115 HydrophobicContact CE1-CB 3.72Å; R98-L115 PolarHBondContact O-N 3.1Å; V99-L115 CarbonylContact C-O 3.48Å; V99-L115 WeakPolarHBondContact CA-O 3.36Å; V99-L115 HydrophobicContact CG1-CD2 4.12Å; V99-L115 HydrophobicContact CG1-CG 4.43Å; V99-L115 HydrophobicContact CG2-CB 4.41Å; V99-L115 HydrophobicContact CG2-CD2 4.31Å; T100-L115 PolarHBondContact N-O 3.16Å; V110-L115 HydrophobicContact CG2-CD1 3.89Å; L115-L117 HydrophobicContact CD1-CD2 3.86Å; L115-L117 HydrophobicContact CD1-CG 4.27Å; L115-L117 HydrophobicContact CD2-CD1 4.17Å; L115-L117 HydrophobicContact CD2-CD2 4.06Å; L115-L117 HydrophobicContact CD2-CG 3.96Å; L115-L117 HydrophobicContact CG-CD2 4.08Å; L115-L117 HydrophobicContact CG-CG 3.97Å; L115-I143 HydrophobicContact CD2-CG2 3.55Å; L115-Y147 HydrophobicContact CD1-CD1 4.07Å; L115-Y147 HydrophobicContact CD1-CD2 4.25Å; L115-Y147 HydrophobicContact CD1-CG 3.79Å; L115-Y147 HydrophobicContact CD2-CD2 3.61Å; L115-Y147 HydrophobicContact CD2-CE2 4.45Å; L115-Y147 HydrophobicContact CD2-CG 3.85Å; L115-Y147 HydrophobicContact CG-CG 4.48Å |
| 116 | C | 83.4 | Confident | 67.7 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 102.9 | 171.7 | -154.4 | 0 | 0 | 0 | 0 | 109.7 | T100 L105 P108 K109 | T100-C116 CarbonylContact O-C 3.46Å; T100-C116 VanDerWaalsContact O-CA 3.26Å; T100-C116 WeakPolarHBondContact O-CA 3.06Å; L105-C116 HydrophobicContact CD1-CB 3.98Å; L105-C116 WeakPolarHBondContact CD1-SG 3.3Å; P108-C116 CarbonylContact C-O 3.6Å; P108-C116 VanDerWaalsContact CA-O 3.3Å; P108-C116 WeakPolarHBondContact CA-O 3.41Å; K109-C116 HydrophobicContact CB-CB 4.3Å; K109-C116 PolarHBondContact N-O 2.69Å; K109-C116 PolarHBondContact O-N 3.2Å |
| 117 | L | 84.4 | Confident | 66.9 | Low | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137.3 | 178.2 | -64.1 | 175.8 | 0 | 0 | 0 | 111 | T100 V101 T102 P108 L115 I143 Y147 I216 | T100-L117 PolarHBondContact O-N 2.78Å; V101-L117 WeakPolarHBondContact CA-O 3.36Å; V101-L117 HydrophobicContact CG2-CB 4.48Å; T102-L117 PolarHBondContact N-O 2.93Å; T102-L117 VanDerWaalsContact N-O 3.12Å; P108-L117 HydrophobicContact CB-CD2 4.26Å; L115-L117 HydrophobicContact CD1-CD2 3.86Å; L115-L117 HydrophobicContact CD1-CG 4.27Å; L115-L117 HydrophobicContact CD2-CD1 4.17Å; L115-L117 HydrophobicContact CD2-CD2 4.06Å; L115-L117 HydrophobicContact CD2-CG 3.96Å; L115-L117 HydrophobicContact CG-CD2 4.08Å; L115-L117 HydrophobicContact CG-CG 3.97Å; L117-I143 HydrophobicContact CD1-CG2 4.41Å; L117-Y147 HydrophobicContact CD2-CD2 4.25Å; L117-Y147 HydrophobicContact CD2-CE1 4.35Å; L117-Y147 HydrophobicContact CD2-CE2 3.74Å; L117-I216 HydrophobicContact CD1-CG2 3.89Å |
| 118 | P | 80.3 | Confident | 66.1 | Low | 28 Ų | 28 | 66.5 Ų | 66.5 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 149.2 | 165.7 | 37.4 | -35.2 | 0 | 0 | 0 | 108.4 | T102 L105 | T102-P118 CarbonylContact O-C 2.74Å; T102-P118 WeakPolarHBondContact O-CA 3.42Å; L105-P118 HydrophobicContact CB-CB 4.2Å; L105-P118 WeakPolarHBondContact O-CB 3.29Å |
| 119 | L | 76.8 | Confident | 65.4 | Low | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 40% | 0.399 | C | S | . | . | trans | -127.7 | 72 | 168.9 | -140.9 | 176.6 | 0 | 0 | 0 | 109.7 | F83 V101 T102 L121 L122 L136 I216 | F83-L119 HydrophobicContact CZ-CB 4.49Å; V101-L119 HydrophobicContact CG1-CB 4.14Å; V101-L119 HydrophobicContact CG1-CD1 3.72Å; V101-L119 HydrophobicContact CG1-CG 4.34Å; T102-L119 PolarHBondContact O-N 3Å; L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 HydrophobicContact CD2-CB 4.06Å; L119-L121 PolarHBondContact O-N 2.99Å; L119-L122 HydrophobicContact CD1-CD1 4.05Å; L119-L122 HydrophobicContact CD2-CD1 4.01Å; L119-L122 HydrophobicContact CD2-CG 3.95Å; L119-L122 PolarHBondContact O-N 2.88Å; L119-L136 HydrophobicContact CD1-CD1 4.09Å; L119-L136 HydrophobicContact CD1-CD2 3.82Å; L119-I216 HydrophobicContact CD1-CD1 3.71Å; L119-I216 HydrophobicContact CG-CD1 4.07Å | ||
| 120 | P | 57.3 | Low | 65 | Low | 68 Ų | 68 | 71.3 Ų | 71.3 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -73.3 | -19.1 | -171.7 | 31.3 | -35.7 | 0 | 0 | 0 | 113.2 | L122 T123 | P120-L122 PolarHBondContact O-N 3.21Å; P120-T123 PolarHBondContact O-N 3.47Å; P120-T123 PolarHBondContact O-OG1 2.73Å |
| 121 | L | 57.2 | Low | 64.9 | Low | 98 Ų | 98 | 68.4 Ų | 68.4 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55.7 | -23.5 | 170.6 | -111.9 | 71.8 | 0 | 0 | 0 | 112.8 | L119 V214 | L119-L121 VanDerWaalsContact C-N 3.3Å; L119-L121 HydrophobicContact CD2-CB 4.06Å; L119-L121 PolarHBondContact O-N 2.99Å; L121-V214 HydrophobicContact CD2-CG2 4.03Å |
| 122 | L | 55.4 | Low | 65.1 | Low | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -96.4 | 8.5 | 177.8 | -65.1 | 175.3 | 0 | 0 | 0 | 114.1 | L75 P77 F83 L119 P120 V124 V134 | L75-L122 HydrophobicContact CD1-CD1 4.42Å; P77-L122 HydrophobicContact CG-CB 4.33Å; P77-L122 HydrophobicContact CG-CD1 4.48Å; P77-L122 HydrophobicContact CG-CD2 4.07Å; F83-L122 HydrophobicContact CE1-CB 3.99Å; F83-L122 HydrophobicContact CE1-CD1 3.72Å; F83-L122 HydrophobicContact CZ-CD1 3.61Å; L119-L122 HydrophobicContact CD1-CD1 4.05Å; L119-L122 HydrophobicContact CD2-CD1 4.01Å; L119-L122 HydrophobicContact CD2-CG 3.95Å; L119-L122 PolarHBondContact O-N 2.88Å; P120-L122 PolarHBondContact O-N 3.21Å; L122-V124 PolarHBondContact O-N 3.47Å; L122-V134 HydrophobicContact CD2-CB 4.34Å; L122-V134 HydrophobicContact CD2-CG2 3.68Å |
| 123 | T | 50.3 | Low | 66 | Low | 85 Ų | 85 | 64.1 Ų | 64.1 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -86.4 | 86.2 | 161.5 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | N103 P120 S125 | N103-T123 HydrophobicContact CB-CG2 4.19Å; P120-T123 PolarHBondContact O-N 3.47Å; P120-T123 PolarHBondContact O-OG1 2.73Å; T123-S125 PolarHBondContact O-N 3.08Å |
| 124 | V | 48 | Very low | 66.5 | Low | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | trans | -45 | 127.1 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | L122 L128 P131 | L122-V124 PolarHBondContact O-N 3.47Å; V124-L128 HydrophobicContact CG1-CB 3.99Å; V124-P131 HydrophobicContact CG2-CB 4.16Å | ||
| 125 | S | 49.9 | Very low | 66.8 | Low | 59 Ų | 59 | 57.3 Ų | 57.3 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | trans | -62.5 | 140.8 | 168.2 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | T123 D127 L128 | T123-S125 PolarHBondContact O-N 3.08Å; S125-D127 PolarHBondContact O-N 2.71Å; S125-L128 PolarHBondContact O-N 2.91Å; S125-L128 VanDerWaalsContact O-N 3.17Å | ||
| 126 | P | 52.7 | Low | 66.8 | Low | 109 Ų | 109 | 57.3 Ų | 57.3 | 71% | 0.708 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.1 | -169 | 22.3 | -33.6 | 0 | 0 | 0 | 114 | ||
| 127 | D | 52.6 | Low | 67.1 | Low | 142 Ų | 142 | 57.2 Ų | 57.2 | 76% | 0.759 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -8.5 | -173.7 | -39.9 | -56.6 | 0 | 0 | 0 | 114.4 | S125 | S125-D127 PolarHBondContact O-N 2.71Š|
| 128 | L | 53 | Low | 67.3 | Low | 103 Ų | 103 | 56.7 Ų | 56.7 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | trans | -85.8 | 118.9 | 172.6 | -82.9 | 166.9 | 0 | 0 | 0 | 110.3 | K79 V124 S125 | K79-L128 WeakPolarHBondContact CE-O 3.06Å; K79-L128 PolarHBondContact NZ-O 2.78Å; V124-L128 HydrophobicContact CG1-CB 3.99Å; S125-L128 PolarHBondContact O-N 2.91Å; S125-L128 VanDerWaalsContact O-N 3.17Å | ||
| 129 | E | 57.4 | Low | 67.7 | Low | 176 Ų | 176 | 55.7 Ų | 55.7 | 82% | 0.822 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -62.9 | -47 | -174.3 | -65.1 | -169.3 | 130.5 | 0 | 0 | 112.5 | K79 | K79-E129 PolarHBondContact NZ-O 2.95Š|
| 130 | E | 63.3 | Low | 68.3 | Low | 123 Ų | 123 | 55.4 Ų | 55.4 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -131.9 | 144.8 | 176 | -72.1 | -163.9 | -170 | 0 | 0 | 113.2 | R76 | R76-E130 IonicContact CZ-OE2 3.2Å; R76-E130 IonicContact NH1-OE2 2.88Å; R76-E130 IonicContact NH2-OE2 3.53Å; R76-E130 PolarHBondContact NH2-OE2 3.08Å |
| 131 | P | 67.7 | Low | 69.7 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -73 | 140 | 172.6 | 29.6 | -32.6 | 0 | 0 | 0 | 111.5 | R76 P77 V124 | R76-P131 HydrophobicContact CG-CG 4.29Å; R76-P131 PolarHBondContact NE-O 3.07Å; R76-P131 PolarHBondContact NH2-O 2.92Å; P77-P131 WeakPolarHBondContact O-CG 3.49Å; V124-P131 HydrophobicContact CG2-CB 4.16Å |
| 132 | K | 75.8 | Confident | 71 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 166.5 | 172 | -68.3 | -168 | 178.8 | -162.9 | 0 | 112.4 | Y208 E209 | K132-Y208 PolarHBondContact NZ-O 2.95Å; K132-E209 WeakPolarHBondContact CD-O 3.35Å; K132-E209 WeakPolarHBondContact CE-O 3.46Å; K132-E209 PolarHBondContact NZ-O 2.92Å; K132-E209 VanDerWaalsContact NZ-O 3.07Å |
| 133 | W | 81.7 | Confident | 72.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.3 | 167.9 | -79.9 | 93.9 | 0 | 0 | 0 | 110.5 | D34 T36 I37 V41 I74 L75 R76 L165 T210 F211 E212 | D34-W133 HydrophobicContact CB-CZ2 4.02Å; D34-W133 PolarHBondContact OD2-NE1 2.97Å; T36-W133 VanDerWaalsContact OG1-CD1 3.3Å; T36-W133 PolarHBondContact OG1-NE1 2.9Å; I37-W133 HydrophobicContact CD1-CB 4.48Å; I37-W133 HydrophobicContact CD1-CD2 3.42Å; I37-W133 VanDerWaalsContact CD1-CD2 3.42Å; I37-W133 HydrophobicContact CD1-CE3 4.02Å; I37-W133 HydrophobicContact CD1-CG 3.63Å; I37-W133 HydrophobicContact CD1-CH2 4.47Å; I37-W133 HydrophobicContact CD1-CZ2 3.94Å; I37-W133 HydrophobicContact CD1-CZ3 4.49Å; I37-W133 HydrophobicContact CG1-CD2 4.34Å; I37-W133 HydrophobicContact CG1-CG 4.25Å; V41-W133 HydrophobicContact CB-CH2 3.92Å; V41-W133 HydrophobicContact CB-CZ2 4.41Å; V41-W133 HydrophobicContact CG1-CH2 3.6Å; V41-W133 HydrophobicContact CG1-CZ2 3.9Å; V41-W133 HydrophobicContact CG2-CH2 4.18Å; V41-W133 HydrophobicContact CG2-CZ2 4.29Å; I74-W133 HydrophobicContact CG2-CE3 4.1Å; L75-W133 VanDerWaalsContact C-CE3 3.45Å; R76-W133 HydrophobicContact CB-CD2 3.6Å; R76-W133 HydrophobicContact CB-CE3 3.66Å; R76-W133 HydrophobicContact CB-CG 4.19Å; R76-W133 HydrophobicContact CB-CH2 4.01Å; R76-W133 HydrophobicContact CB-CZ2 3.96Å; R76-W133 HydrophobicContact CB-CZ3 3.87Å; R76-W133 HydrophobicContact CG-CD2 4.43Å; W133-L165 HydrophobicContact CH2-CB 3.73Å; W133-L165 HydrophobicContact CZ2-CB 4.27Å; W133-L165 HydrophobicContact CZ3-CB 4.45Å; W133-T210 PolarHBondContact N-O 3.31Å; W133-F211 HydrophobicContact CB-CD1 3.67Å; W133-F211 HydrophobicContact CB-CE1 3.65Å; W133-F211 HydrophobicContact CB-CG 4.46Å; W133-F211 HydrophobicContact CB-CZ 4.42Å; W133-F211 HydrophobicContact CG-CE1 4.3Å; W133-F211 CarbonylContact O-C 3.56Å; W133-F211 VanDerWaalsContact O-CA 3.28Å; W133-F211 WeakPolarHBondContact O-CA 3.13Å; W133-E212 PolarHBondContact O-N 2.8Å |
| 134 | V | 83.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.9 | -176 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | L75 L122 L136 E212 V214 | L75-V134 PolarHBondContact N-O 2.96Å; L75-V134 PolarHBondContact O-N 2.87Å; L122-V134 HydrophobicContact CD2-CB 4.34Å; L122-V134 HydrophobicContact CD2-CG2 3.68Å; V134-L136 HydrophobicContact CG1-CD2 3.74Å; V134-L136 HydrophobicContact CG1-CG 4.22Å; V134-L136 PolarHBondContact O-N 2.83Å; V134-E212 WeakPolarHBondContact CA-O 3.31Å; V134-E212 HydrophobicContact CG2-CB 4.2Å; V134-V214 HydrophobicContact CG1-CB 4.05Å; V134-V214 HydrophobicContact CG1-CG2 3.8Å |
| 135 | V | 85.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 98.2 | 170.3 | -174.8 | 0 | 0 | 0 | 0 | 107.2 | Y72 I74 P178 F211 E212 L213 V214 | Y72-V135 HydrophobicContact CD1-CG1 4.04Å; I74-V135 HydrophobicContact CD1-CG2 4.39Å; I74-V135 HydrophobicContact CG1-CG1 4.32Å; I74-V135 HydrophobicContact CG1-CG2 4.17Å; I74-V135 HydrophobicContact CG2-CG2 4.43Å; V135-P178 HydrophobicContact CG2-CG 4.37Å; V135-F211 HydrophobicContact CG2-CD1 4.03Å; V135-E212 PolarHBondContact N-O 2.92Å; V135-L213 HydrophobicContact CB-CD1 3.88Å; V135-L213 HydrophobicContact CG1-CD1 3.71Å; V135-V214 PolarHBondContact O-N 3.48Å |
| 136 | L | 86.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 113.8 | 174.6 | -62.5 | 178 | 0 | 0 | 0 | 109.6 | Y72 L73 L75 L119 V134 F138 V214 I216 | Y72-L136 WeakPolarHBondContact CA-O 3.26Å; L73-L136 HydrophobicContact CB-CB 4.43Å; L73-L136 PolarHBondContact N-O 3.03Å; L73-L136 PolarHBondContact O-N 3.25Å; L75-L136 HydrophobicContact CD1-CD1 4.15Å; L75-L136 HydrophobicContact CD2-CD1 3.8Å; L75-L136 HydrophobicContact CG-CD1 4Å; L119-L136 HydrophobicContact CD1-CD1 4.09Å; L119-L136 HydrophobicContact CD1-CD2 3.82Å; V134-L136 HydrophobicContact CG1-CD2 3.74Å; V134-L136 HydrophobicContact CG1-CG 4.22Å; V134-L136 PolarHBondContact O-N 2.83Å; L136-F138 HydrophobicContact CB-CD2 4.26Å; L136-F138 HydrophobicContact CB-CE2 3.61Å; L136-F138 HydrophobicContact CB-CZ 4.05Å; L136-F138 HydrophobicContact CD1-CE2 4.01Å; L136-F138 HydrophobicContact CD1-CZ 3.87Å; L136-F138 HydrophobicContact CG-CE2 4.44Å; L136-V214 WeakPolarHBondContact CA-O 3.38Å; L136-V214 HydrophobicContact CD2-CB 4.01Å; L136-V214 HydrophobicContact CD2-CG1 4.18Å; L136-I216 HydrophobicContact CD2-CD1 4.46Å |
| 137 | R | 88.9 | Confident | 77.9 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 100 | 170.7 | -176.8 | -172.6 | 83.3 | -161.7 | 5.1 | 109.7 | Y70 Y72 V214 T215 I216 D219 | Y70-R137 HydrophobicContact CD1-CG 4.01Å; Y72-R137 HydrophobicContact CD1-CB 4.14Å; Y72-R137 HydrophobicContact CD1-CG 4.32Å; Y72-R137 HydrophobicContact CE1-CB 3.75Å; Y72-R137 HydrophobicContact CE1-CG 3.64Å; Y72-R137 HydrophobicContact CE2-CG 4.26Å; Y72-R137 WeakPolarHBondContact OH-CD 3.24Å; R137-V214 PolarHBondContact N-O 2.75Å; R137-T215 HydrophobicContact CB-CG2 4.26Å; R137-I216 PolarHBondContact O-N 2.92Å; R137-D219 IonicContact CZ-OD2 3.49Å; R137-D219 IonicContact NH2-OD2 3.72Å; R137-D219 PolarHBondContact NH2-OD2 2.83Å |
| 138 | F | 89.1 | Confident | 79 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.1 | 170.7 | -60.8 | -80.9 | 0 | 0 | 0 | 109.9 | Y70 L71 L73 F87 V101 L136 L140 I143 I216 | Y70-F138 CarbonylContact C-O 3.47Å; Y70-F138 WeakPolarHBondContact CA-O 3.23Å; L71-F138 HydrophobicContact CB-CB 4.26Å; L71-F138 HydrophobicContact CD2-CD2 4.43Å; L71-F138 HydrophobicContact CG-CD2 4.37Å; L71-F138 PolarHBondContact N-O 3.31Å; L71-F138 PolarHBondContact O-N 2.94Å; L73-F138 HydrophobicContact CD1-CE2 3.97Å; L73-F138 HydrophobicContact CG-CE2 4.26Å; F87-F138 HydrophobicContact CE1-CD1 4.18Å; F87-F138 HydrophobicContact CE1-CD2 4.36Å; F87-F138 HydrophobicContact CE1-CE1 4.2Å; F87-F138 HydrophobicContact CE1-CE2 4.37Å; F87-F138 HydrophobicContact CE1-CG 4.26Å; F87-F138 HydrophobicContact CE1-CZ 4.28Å; F87-F138 HydrophobicContact CZ-CB 4.38Å; F87-F138 AromaticContact CZ-CD1 3.82Å; F87-F138 HydrophobicContact CZ-CD1 3.82Å; F87-F138 HydrophobicContact CZ-CE1 4.2Å; F87-F138 AromaticContact CZ-CG 3.99Å; F87-F138 HydrophobicContact CZ-CG 3.99Å; V101-F138 HydrophobicContact CB-CE1 4.45Å; V101-F138 HydrophobicContact CG1-CE1 4.08Å; V101-F138 HydrophobicContact CG1-CZ 4.15Å; V101-F138 HydrophobicContact CG2-CE1 3.77Å; V101-F138 HydrophobicContact CG2-CZ 4.18Å; L136-F138 HydrophobicContact CB-CD2 4.26Å; L136-F138 HydrophobicContact CB-CE2 3.61Å; L136-F138 HydrophobicContact CB-CZ 4.05Å; L136-F138 HydrophobicContact CD1-CE2 4.01Å; L136-F138 HydrophobicContact CD1-CZ 3.87Å; L136-F138 HydrophobicContact CG-CE2 4.44Å; F138-L140 HydrophobicContact CB-CD2 4.05Å; F138-L140 PolarHBondContact O-N 3.46Å; F138-I143 HydrophobicContact CB-CD1 3.78Å; F138-I143 HydrophobicContact CD1-CD1 3.78Å; F138-I143 HydrophobicContact CG-CD1 4.27Å; F138-I216 HydrophobicContact CD1-CB 3.89Å; F138-I216 HydrophobicContact CD1-CD1 4.16Å; F138-I216 HydrophobicContact CD1-CG2 3.99Å; F138-I216 HydrophobicContact CE1-CB 4.22Å; F138-I216 HydrophobicContact CE1-CD1 3.58Å; F138-I216 HydrophobicContact CE1-CG1 4.44Å; F138-I216 HydrophobicContact CE1-CG2 4.25Å; F138-I216 HydrophobicContact CZ-CD1 4.21Å |
| 139 | D | 89.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 92.6 | 167.5 | -177.4 | -34.2 | 0 | 0 | 0 | 107.6 | Y70 R141 K142 I143 I216 | Y70-D139 HydrophobicContact CD1-CB 4.06Å; Y70-D139 HydrophobicContact CE1-CB 3.86Å; Y70-D139 WeakPolarHBondContact CE1-OD2 3.23Å; D139-R141 PolarHBondContact O-N 2.92Å; D139-K142 HydrophobicContact CB-CB 4.03Å; D139-K142 HydrophobicContact CB-CD 4.34Å; D139-K142 HydrophobicContact CB-CG 4.35Å; D139-K142 VanDerWaalsContact CG-CG 3.42Å; D139-K142 PolarHBondContact O-N 2.87Å; D139-K142 WeakPolarHBondContact OD1-CB 2.99Å; D139-K142 WeakPolarHBondContact OD1-CG 3.15Å; D139-K142 PolarHBondContact OD1-N 2.87Å; D139-K142 WeakPolarHBondContact OD2-CD 3.32Å; D139-K142 WeakPolarHBondContact OD2-CE 3Å; D139-K142 VanDerWaalsContact OD2-CG 3.24Å; D139-K142 WeakPolarHBondContact OD2-CG 3.4Å; D139-I143 WeakPolarHBondContact O-CB 3.41Å; D139-I143 WeakPolarHBondContact O-CG1 3.48Å; D139-I143 PolarHBondContact O-N 2.77Å; D139-I216 PolarHBondContact N-O 2.7Å |
| 140 | L | 89.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -31.8 | -168.9 | -64.5 | 179.3 | 0 | 0 | 0 | 111.8 | E69 L71 F87 F138 I144 Y152 | E69-L140 PolarHBondContact O-N 3.28Å; L71-L140 HydrophobicContact CB-CD1 3.87Å; L71-L140 HydrophobicContact CB-CD2 4.18Å; L71-L140 HydrophobicContact CB-CG 4.07Å; L71-L140 HydrophobicContact CD2-CD2 4.48Å; F87-L140 HydrophobicContact CD2-CD2 3.77Å; F87-L140 HydrophobicContact CE2-CD2 3.28Å; F87-L140 HydrophobicContact CZ-CD2 4.01Å; F138-L140 HydrophobicContact CB-CD2 4.05Å; F138-L140 PolarHBondContact O-N 3.46Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 WeakPolarHBondContact O-CG1 3.39Å; L140-I144 PolarHBondContact O-N 3.49Å; L140-Y152 HydrophobicContact CB-CD1 4.12Å; L140-Y152 HydrophobicContact CB-CD2 4.06Å; L140-Y152 HydrophobicContact CB-CE1 3.98Å; L140-Y152 HydrophobicContact CB-CE2 3.92Å; L140-Y152 HydrophobicContact CB-CG 4.16Å; L140-Y152 HydrophobicContact CD1-CE1 4.29Å; L140-Y152 HydrophobicContact CD1-CE2 3.77Å; L140-Y152 VanDerWaalsContact CD1-OH 3.27Å; L140-Y152 WeakPolarHBondContact CD1-OH 2.93Å; L140-Y152 HydrophobicContact CG-CE2 4.48Å |
| 141 | R | 85.4 | Confident | 81.7 | Confident | 121 Ų | 121 | 42.8 Ų | 42.8 | 46% | 0.457 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.7 | -49.6 | 176.1 | -169.4 | -178.1 | -176 | 179.6 | 0.3 | 111.3 | E69 D139 N145 | E69-R141 HydrophobicContact CG-CB 4.05Å; E69-R141 WeakPolarHBondContact OE1-CD 3.46Å; E69-R141 IonicContact OE1-CZ 2.64Å; E69-R141 IonicContact OE1-NE 2.87Å; E69-R141 IonicContact OE1-NH1 2.63Å; E69-R141 PolarHBondContact OE1-NH1 2.86Å; D139-R141 PolarHBondContact O-N 2.92Å; R141-N145 VanDerWaalsContact O-CB 3.25Å; R141-N145 WeakPolarHBondContact O-CB 3.47Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.87Å |
| 142 | K | 84.5 | Confident | 82.4 | Confident | 83 Ų | 83 | 42.7 Ų | 42.7 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.4 | -75.9 | -172.4 | -166.9 | -165 | 0 | 112 | D139 K146 P217 D219 | D139-K142 HydrophobicContact CB-CB 4.03Å; D139-K142 HydrophobicContact CB-CD 4.34Å; D139-K142 HydrophobicContact CB-CG 4.35Å; D139-K142 VanDerWaalsContact CG-CG 3.42Å; D139-K142 PolarHBondContact O-N 2.87Å; D139-K142 WeakPolarHBondContact OD1-CB 2.99Å; D139-K142 WeakPolarHBondContact OD1-CG 3.15Å; D139-K142 PolarHBondContact OD1-N 2.87Å; D139-K142 WeakPolarHBondContact OD2-CD 3.32Å; D139-K142 WeakPolarHBondContact OD2-CE 3Å; D139-K142 VanDerWaalsContact OD2-CG 3.24Å; D139-K142 WeakPolarHBondContact OD2-CG 3.4Å; K142-K146 WeakPolarHBondContact O-CB 3.25Å; K142-K146 PolarHBondContact O-N 2.9Å; K142-P217 HydrophobicContact CB-CG 3.81Å; K142-P217 HydrophobicContact CD-CG 4.07Å; K142-D219 IonicContact NZ-OD1 2.75Å; K142-D219 PolarHBondContact NZ-OD1 2.85Å |
| 143 | I | 83.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -52.7 | 179.4 | -69.4 | 166 | 0 | 0 | 0 | 110.1 | V99 L115 L117 F138 D139 K146 Y147 I216 | V99-I143 HydrophobicContact CG1-CG2 4.31Å; V99-I143 HydrophobicContact CG2-CG2 4.21Å; L115-I143 HydrophobicContact CD2-CG2 3.55Å; L117-I143 HydrophobicContact CD1-CG2 4.41Å; F138-I143 HydrophobicContact CB-CD1 3.78Å; F138-I143 HydrophobicContact CD1-CD1 3.78Å; F138-I143 HydrophobicContact CG-CD1 4.27Å; D139-I143 WeakPolarHBondContact O-CB 3.41Å; D139-I143 WeakPolarHBondContact O-CG1 3.48Å; D139-I143 PolarHBondContact O-N 2.77Å; I143-K146 PolarHBondContact O-N 3.48Å; I143-Y147 HydrophobicContact CG2-CD2 4.4Å; I143-Y147 VanDerWaalsContact O-CD2 3.31Å; I143-Y147 WeakPolarHBondContact O-CD2 3.46Å; I143-Y147 PolarHBondContact O-N 3.03Å; I143-I216 HydrophobicContact CD1-CG2 4Å; I143-I216 HydrophobicContact CG1-CG2 4.26Å |
| 144 | I | 82.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -39 | -175.1 | -70.8 | 166.8 | 0 | 0 | 0 | 110.8 | C89 Y97 V99 L140 S148 Y152 | C89-I144 HydrophobicContact CB-CD1 3.51Å; Y97-I144 HydrophobicContact CD1-CG1 4.32Å; V99-I144 HydrophobicContact CG2-CG1 4.48Å; L140-I144 WeakPolarHBondContact O-CB 3.4Å; L140-I144 WeakPolarHBondContact O-CG1 3.39Å; L140-I144 PolarHBondContact O-N 3.49Å; I144-S148 CarbonylContact O-C 3.56Å; I144-S148 WeakPolarHBondContact O-CA 3.28Å; I144-S148 WeakPolarHBondContact O-CB 3.44Å; I144-S148 PolarHBondContact O-N 2.86Å; I144-S148 VanDerWaalsContact O-O 3.05Å; I144-S148 PolarHBondContact O-OG 3.07Å; I144-Y152 HydrophobicContact CD1-CD2 3.67Å; I144-Y152 HydrophobicContact CD1-CG 4.2Å |
| 145 | N | 79.1 | Confident | 83.2 | Confident | 73 Ų | 73 | 42.1 Ų | 42.1 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -73.3 | -25.3 | 176.5 | -67.1 | 11.6 | 0 | 0 | 0 | 113.9 | R141 Y150 H151 | R141-N145 VanDerWaalsContact O-CB 3.25Å; R141-N145 WeakPolarHBondContact O-CB 3.47Å; R141-N145 PolarHBondContact O-N 2.88Å; R141-N145 PolarHBondContact O-OD1 2.87Å; N145-Y150 PolarHBondContact OD1-O 3.04Å; N145-H151 PolarHBondContact OD1-ND1 2.64Å |
| 146 | K | 79.6 | Confident | 83.2 | Confident | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -81.9 | -24.9 | 178.6 | -177.1 | 169 | -178.4 | 169.3 | 0 | 112.9 | K142 I143 P217 | K142-K146 WeakPolarHBondContact O-CB 3.25Å; K142-K146 PolarHBondContact O-N 2.9Å; I143-K146 PolarHBondContact O-N 3.48Å; K146-P217 HydrophobicContact CD-CB 4.03Å; K146-P217 HydrophobicContact CD-CG 4.21Å |
| 147 | Y | 77.3 | Confident | 83.2 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -122.4 | 2.7 | -174.9 | -62.7 | -72.6 | 0 | 0 | 0 | 114.4 | Y97 V110 L115 L117 I143 | Y97-Y147 PolarHBondContact OH-O 2.85Å; V110-Y147 WeakPolarHBondContact CG1-O 3.34Å; V110-Y147 HydrophobicContact CG2-CD1 4.27Å; L115-Y147 HydrophobicContact CD1-CD1 4.07Å; L115-Y147 HydrophobicContact CD1-CD2 4.25Å; L115-Y147 HydrophobicContact CD1-CG 3.79Å; L115-Y147 HydrophobicContact CD2-CD2 3.61Å; L115-Y147 HydrophobicContact CD2-CE2 4.45Å; L115-Y147 HydrophobicContact CD2-CG 3.85Å; L115-Y147 HydrophobicContact CG-CG 4.48Å; L117-Y147 HydrophobicContact CD2-CD2 4.25Å; L117-Y147 HydrophobicContact CD2-CE1 4.35Å; L117-Y147 HydrophobicContact CD2-CE2 3.74Å; I143-Y147 HydrophobicContact CG2-CD2 4.4Å; I143-Y147 VanDerWaalsContact O-CD2 3.31Å; I143-Y147 WeakPolarHBondContact O-CD2 3.46Å; I143-Y147 PolarHBondContact O-N 3.03Å |
| 148 | S | 74.8 | Confident | 83.3 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | trans | -154.2 | 162 | 174.2 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | I144 Y150 | I144-S148 CarbonylContact O-C 3.56Å; I144-S148 WeakPolarHBondContact O-CA 3.28Å; I144-S148 WeakPolarHBondContact O-CB 3.44Å; I144-S148 PolarHBondContact O-N 2.86Å; I144-S148 VanDerWaalsContact O-O 3.05Å; I144-S148 PolarHBondContact O-OG 3.07Å; S148-Y150 VanDerWaalsContact C-N 3.27Å; S148-Y150 PolarHBondContact OG-N 2.79Å | ||
| 149 | S | 72 | Confident | 83.3 | Confident | 98 Ų | 98 | 45.4 Ų | 45.4 | 69% | 0.685 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -77.1 | -10.9 | 171.4 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 150 | Y | 79.1 | Confident | 83.2 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -73.6 | 164.2 | 178.8 | -60.2 | -70.1 | 0 | 0 | 0 | 111.8 | T91 S93 V95 Y97 N112 F113 N145 S148 | T91-Y150 HydrophobicContact CG2-CD1 4.35Å; T91-Y150 HydrophobicContact CG2-CG 3.9Å; S93-Y150 WeakPolarHBondContact OG-CD1 3.4Å; V95-Y150 HydrophobicContact CB-CE1 4.43Å; V95-Y150 HydrophobicContact CG1-CE1 4.47Å; V95-Y150 HydrophobicContact CG2-CE1 4.3Å; Y97-Y150 AromaticContact CD2-CD2 3.81Å; Y97-Y150 HydrophobicContact CD2-CD2 3.81Å; Y97-Y150 HydrophobicContact CD2-CE2 4.14Å; Y97-Y150 HydrophobicContact CE2-CD2 4.24Å; Y97-Y150 HydrophobicContact CE2-CE2 4.48Å; N112-Y150 WeakPolarHBondContact O-CE2 3.35Å; F113-Y150 WeakPolarHBondContact CE1-OH 3.03Å; N145-Y150 PolarHBondContact OD1-O 3.04Å; S148-Y150 VanDerWaalsContact C-N 3.27Å; S148-Y150 PolarHBondContact OG-N 2.79Å |
| 151 | H | 79.1 | Confident | 82.7 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 46% | 0.458 | 21% | 0.212 | S | C | . | . | trans | -115.4 | 134.8 | 171.1 | -65.3 | -11.3 | 0 | 0 | 0 | 110.2 | T91 K92 N145 | T91-H151 CarbonylContact C-O 3.05Å; T91-H151 WeakPolarHBondContact CA-O 3.09Å; T91-H151 VanDerWaalsContact CB-O 3.29Å; T91-H151 WeakPolarHBondContact CB-O 3.27Å; K92-H151 HydrophobicContact CD-CB 4.21Å; K92-H151 HydrophobicContact CG-CB 4.19Å; K92-H151 PolarHBondContact N-O 3.41Å; N145-H151 PolarHBondContact OD1-ND1 2.64Å | ||
| 152 | Y | 83 | Confident | 82.1 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 139.9 | 173.3 | 177.9 | -118.9 | 0 | 0 | 0 | 111.4 | L66 T67 G68 C89 L140 I144 S154 L155 | L66-Y152 PolarHBondContact O-OH 3.37Å; T67-Y152 VanDerWaalsContact O-CE1 3.26Å; T67-Y152 WeakPolarHBondContact O-CE1 3.35Å; G68-Y152 VanDerWaalsContact O-CE1 3.28Å; G68-Y152 WeakPolarHBondContact O-CE1 3.38Å; G68-Y152 PolarHBondContact O-OH 2.78Å; C89-Y152 HydrophobicContact CB-CD2 4.02Å; C89-Y152 HydrophobicContact CB-CE2 4.12Å; L140-Y152 HydrophobicContact CB-CD1 4.12Å; L140-Y152 HydrophobicContact CB-CD2 4.06Å; L140-Y152 HydrophobicContact CB-CE1 3.98Å; L140-Y152 HydrophobicContact CB-CE2 3.92Å; L140-Y152 HydrophobicContact CB-CG 4.16Å; L140-Y152 HydrophobicContact CD1-CE1 4.29Å; L140-Y152 HydrophobicContact CD1-CE2 3.77Å; L140-Y152 VanDerWaalsContact CD1-OH 3.27Å; L140-Y152 WeakPolarHBondContact CD1-OH 2.93Å; L140-Y152 HydrophobicContact CG-CE2 4.48Å; I144-Y152 HydrophobicContact CD1-CD2 3.67Å; I144-Y152 HydrophobicContact CD1-CG 4.2Å; Y152-S154 VanDerWaalsContact CE2-C 3.43Å; Y152-L155 PolarHBondContact OH-N 3.18Å |
| 153 | H | 87.1 | Confident | 81.9 | Confident | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.361 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | -47 | 172.4 | 167.9 | 69.5 | 0 | 0 | 0 | 111.8 | T67 R90 K92 | T67-H153 WeakPolarHBondContact CG2-O 3.15Å; R90-H153 WeakPolarHBondContact O-CB 3.27Å; R90-H153 PolarHBondContact O-N 2.85Å; R90-H153 VanDerWaalsContact O-N 3.1Å; K92-H153 HydrophobicContact CG-CB 4.04Å |
| 154 | S | 84.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 148.2 | 170.4 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | L66 C89 R90 Y152 S156 | L66-S154 CarbonylContact O-C 3.5Å; L66-S154 WeakPolarHBondContact O-CA 3.3Å; L66-S154 WeakPolarHBondContact O-CB 3.21Å; C89-S154 CarbonylContact C-O 3.57Å; C89-S154 WeakPolarHBondContact CA-O 3.24Å; R90-S154 PolarHBondContact N-O 3.45Å; R90-S154 PolarHBondContact O-N 2.88Å; Y152-S154 VanDerWaalsContact CE2-C 3.43Å; S154-S156 PolarHBondContact O-N 2.95Å |
| 155 | L | 86.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 118.3 | 162.7 | 176.4 | 64.8 | 0 | 0 | 0 | 109.2 | I11 L64 G65 L66 L71 F87 Y152 R157 T171 | I11-L155 HydrophobicContact CD1-CD2 4.05Å; L64-L155 WeakPolarHBondContact CB-O 3.35Å; L64-L155 HydrophobicContact CD1-CD2 4.33Å; L64-L155 HydrophobicContact CD1-CG 4.16Å; G65-L155 PolarHBondContact N-O 3.42Å; G65-L155 VanDerWaalsContact N-O 3.14Å; L66-L155 HydrophobicContact CB-CB 4.29Å; L66-L155 HydrophobicContact CD1-CD2 4.4Å; L66-L155 PolarHBondContact N-O 3.06Å; L66-L155 PolarHBondContact O-N 3.3Å; L71-L155 HydrophobicContact CD1-CD2 4.24Å; L71-L155 HydrophobicContact CD2-CD2 4.43Å; F87-L155 HydrophobicContact CB-CD1 3.56Å; F87-L155 HydrophobicContact CG-CD1 4.48Å; Y152-L155 PolarHBondContact OH-N 3.18Å; L155-R157 WeakPolarHBondContact CD1-O 3.41Å; L155-T171 HydrophobicContact CD2-CG2 3.87Å |
| 156 | S | 85 | Confident | 82.6 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -31.3 | -177.2 | 72.3 | 0 | 0 | 0 | 0 | 113.3 | L64 D88 S154 | L64-S156 PolarHBondContact N-O 2.98Å; D88-S156 VanDerWaalsContact C-OG 3.31Å; D88-S156 WeakPolarHBondContact O-CA 3.06Å; D88-S156 WeakPolarHBondContact O-CB 2.83Å; D88-S156 PolarHBondContact O-N 3.14Å; D88-S156 PolarHBondContact O-OG 3.15Å; S154-S156 PolarHBondContact O-N 2.95Å |
| 157 | R | 87.3 | Confident | 82.9 | Confident | 41 Ų | 41 | 29.2 Ų | 29.2 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 145.6 | 178.9 | -165.1 | 178 | -144 | 103 | 16.4 | 111.5 | V56 P57 D59 F87 D88 L155 | V56-R157 WeakPolarHBondContact O-CA 3.3Å; V56-R157 VanDerWaalsContact O-CG 3.3Å; V56-R157 WeakPolarHBondContact O-CG 3.38Å; P57-R157 PolarHBondContact O-NH2 3.27Å; D59-R157 PolarHBondContact O-NH1 3.36Å; D59-R157 PolarHBondContact O-NH2 2.81Å; F87-R157 CarbonylContact C-O 3.54Å; F87-R157 VanDerWaalsContact CA-O 3.24Å; F87-R157 WeakPolarHBondContact CA-O 3.13Å; D88-R157 HydrophobicContact CB-CB 3.94Å; D88-R157 PolarHBondContact N-O 2.77Å; D88-R157 PolarHBondContact O-N 3.36Å; D88-R157 VanDerWaalsContact O-N 3.12Å; L155-R157 WeakPolarHBondContact CD1-O 3.41Å |
| 158 | L | 89.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.2 | 164.7 | -173.6 | 65.3 | 0 | 0 | 0 | 109.6 | I11 W20 T55 V56 L64 L73 F87 L160 A169 | I11-L158 HydrophobicContact CD1-CD2 4.23Å; W20-L158 HydrophobicContact CH2-CD2 4.26Å; T55-L158 CarbonylContact C-O 3.16Å; T55-L158 WeakPolarHBondContact CA-O 3.48Å; V56-L158 HydrophobicContact CG1-CB 4.08Å; V56-L158 PolarHBondContact N-O 3.17Å; V56-L158 PolarHBondContact O-N 3.04Å; L64-L158 HydrophobicContact CD1-CB 4.41Å; L73-L158 HydrophobicContact CD2-CD2 4.3Å; F87-L158 HydrophobicContact CB-CD1 4.06Å; L158-L160 HydrophobicContact CD1-CD2 3.98Å; L158-L160 HydrophobicContact CD2-CD1 4.16Å; L158-L160 HydrophobicContact CD2-CD2 4.4Å; L158-L160 HydrophobicContact CD2-CG 4.44Å; L158-L160 HydrophobicContact CG-CD1 4.41Å; L158-L160 HydrophobicContact CG-CD2 4.06Å; L158-L160 HydrophobicContact CG-CG 4.16Å; L158-A169 HydrophobicContact CD2-CB 4.35Å |
| 159 | K | 89.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 24.9 Ų | 24.9 | 20% | 0.204 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 118.6 | 177.9 | 162.2 | 160.1 | -179.6 | 160.1 | 0 | 109.1 | H53 A54 T55 R86 C161 | H53-K159 VanDerWaalsContact CD2-CE 3.4Å; H53-K159 WeakPolarHBondContact CD2-CE 3.47Å; H53-K159 PolarHBondContact CD2-NZ 2.84Å; H53-K159 PolarHBondContact CE1-NZ 3.34Å; H53-K159 PolarHBondContact NE2-NZ 3.13Å; A54-K159 WeakPolarHBondContact O-CA 3.27Å; T55-K159 HydrophobicContact CG2-CB 3.78Å; T55-K159 HydrophobicContact CG2-CD 3.69Å; T55-K159 HydrophobicContact CG2-CG 3.74Å; R86-K159 HydrophobicContact CB-CB 4.26Å; R86-K159 HydrophobicContact CB-CG 4.45Å; R86-K159 PolarHBondContact N-O 3.2Å; R86-K159 PolarHBondContact O-N 3.1Å; R86-K159 VanDerWaalsContact O-O 3.11Å; K159-C161 WeakPolarHBondContact CE-SG 3.5Å; K159-C161 WeakPolarHBondContact CG-SG 3Å |
| 160 | L | 86.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.5 | -176.2 | -54.3 | 173.4 | 0 | 0 | 0 | 107.8 | W20 I44 H53 A54 L73 V85 L158 I166 | W20-L160 HydrophobicContact CH2-CD1 3.9Å; W20-L160 HydrophobicContact CZ3-CD1 3.7Å; W20-L160 HydrophobicContact CZ3-CG 4.3Å; I44-L160 HydrophobicContact CD1-CB 3.84Å; H53-L160 CarbonylContact C-O 3.46Å; H53-L160 WeakPolarHBondContact CA-O 3.42Å; H53-L160 WeakPolarHBondContact CB-O 3.4Å; A54-L160 PolarHBondContact N-O 2.74Å; A54-L160 PolarHBondContact O-N 3.15Å; L73-L160 HydrophobicContact CD1-CD2 4.43Å; V85-L160 HydrophobicContact CB-CD2 4.29Å; V85-L160 HydrophobicContact CG1-CD2 3.9Å; V85-L160 HydrophobicContact CG2-CD2 3.94Å; L158-L160 HydrophobicContact CD1-CD2 3.98Å; L158-L160 HydrophobicContact CD2-CD1 4.16Å; L158-L160 HydrophobicContact CD2-CD2 4.4Å; L158-L160 HydrophobicContact CD2-CG 4.44Å; L158-L160 HydrophobicContact CG-CD1 4.41Å; L158-L160 HydrophobicContact CG-CD2 4.06Å; L158-L160 HydrophobicContact CG-CG 4.16Å; L160-I166 HydrophobicContact CB-CD1 4.29Å; L160-I166 HydrophobicContact CD1-CD1 3.4Å; L160-I166 VanDerWaalsContact CD1-CD1 3.4Å; L160-I166 HydrophobicContact CD1-CG1 4.49Å; L160-I166 HydrophobicContact CG-CD1 4.32Å |
| 161 | C | 80.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.02 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.8 | -168.9 | -33.8 | 0 | 0 | 0 | 0 | 112.2 | H53 L84 K159 L164 | H53-C161 HydrophobicContact CB-CB 3.91Å; L84-C161 HydrophobicContact CB-CB 4.22Å; L84-C161 HydrophobicContact CD2-CB 4.36Å; L84-C161 PolarHBondContact N-O 3.26Å; L84-C161 WeakPolarHBondContact O-CB 3.23Å; L84-C161 PolarHBondContact O-N 3.16Å; L84-C161 PolarHBondContact O-SG 2.91Å; L84-C161 VanDerWaalsContact O-SG 3.35Å; K159-C161 WeakPolarHBondContact CE-SG 3.5Å; K159-C161 WeakPolarHBondContact CG-SG 3Å; C161-L164 WeakPolarHBondContact O-CD2 2.95Å |
| 162 | C | 72.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.007 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.4 | -172.7 | 176.1 | -27.9 | 0 | 0 | 0 | 0 | 113.1 | I44 N49 N52 K82 L164 | I44-C162 CarbonylContact O-C 3.53Å; N49-C162 VanDerWaalsContact CA-SG 3.54Å; N52-C162 PolarHBondContact O-N 3.26Å; K82-C162 WeakPolarHBondContact O-CB 3.44Å; C162-L164 WeakPolarHBondContact O-CD2 3.5Å; C162-L164 VanDerWaalsContact O-CG 3.31Å; C162-L164 WeakPolarHBondContact O-CG 3.22Å; C162-L164 PolarHBondContact O-N 3.47Å; C162-L164 VanDerWaalsContact O-N 3.12Å |
| 163 | S | 80.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -60.5 | 92.9 | -165.5 | -56.3 | 0 | 0 | 0 | 0 | 117.8 | I44 D45 G46 L78 K81 | I44-S163 CarbonylContact O-C 3.53Å; I44-S163 WeakPolarHBondContact O-CA 3.48Å; D45-S163 WeakPolarHBondContact OD1-CB 3.46Å; D45-S163 PolarHBondContact OD1-OG 3.17Å; G46-S163 PolarHBondContact N-OG 2.72Å; G46-S163 PolarHBondContact O-OG 3.1Å; L78-S163 PolarHBondContact N-O 2.98Å; K81-S163 WeakPolarHBondContact CD-OG 3.49Å |
| 164 | L | 86.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 153.3 | 179.1 | 61.8 | 96.6 | 0 | 0 | 0 | 112.1 | I44 F83 C161 C162 I166 | I44-L164 HydrophobicContact CB-CG 4.47Å; I44-L164 HydrophobicContact CD1-CD1 4.33Å; I44-L164 PolarHBondContact N-O 2.86Å; I44-L164 PolarHBondContact O-N 3.09Å; I44-L164 VanDerWaalsContact O-O 3.14Å; F83-L164 HydrophobicContact CB-CB 4.27Å; F83-L164 HydrophobicContact CB-CD2 3.87Å; F83-L164 HydrophobicContact CD2-CD2 4.42Å; C161-L164 WeakPolarHBondContact O-CD2 2.95Å; C162-L164 WeakPolarHBondContact O-CD2 3.5Å; C162-L164 VanDerWaalsContact O-CG 3.31Å; C162-L164 WeakPolarHBondContact O-CG 3.22Å; C162-L164 PolarHBondContact O-N 3.47Å; C162-L164 VanDerWaalsContact O-N 3.12Å; L164-I166 HydrophobicContact CD1-CD1 3.23Å; L164-I166 HydrophobicContact CD1-CG1 3.37Å |
| 165 | L | 85.2 | Confident | 85.1 | Confident | 19 Ų | 19 | 16.8 Ų | 16.8 | 10% | 0.099 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140 | 168.2 | -67.6 | 154.5 | 0 | 0 | 0 | 109.4 | V41 L42 L43 L75 R76 L78 W133 | V41-L165 HydrophobicContact CG2-CB 4.49Å; V41-L165 HydrophobicContact CG2-CD2 3.78Å; L42-L165 CarbonylContact O-C 3.51Å; L42-L165 VanDerWaalsContact O-CA 3.32Å; L42-L165 WeakPolarHBondContact O-CA 3.46Å; L43-L165 HydrophobicContact CB-CD2 3.87Å; L43-L165 HydrophobicContact CD1-CD2 3.85Å; L43-L165 HydrophobicContact CD1-CG 4.29Å; L43-L165 HydrophobicContact CG-CD2 4.44Å; L75-L165 CarbonylContact C-O 3.52Å; L75-L165 WeakPolarHBondContact CA-O 3.2Å; L75-L165 VanDerWaalsContact CB-O 3.27Å; L75-L165 WeakPolarHBondContact CB-O 3.33Å; R76-L165 HydrophobicContact CB-CB 4.22Å; R76-L165 HydrophobicContact CB-CD1 4.5Å; R76-L165 HydrophobicContact CG-CD1 4.43Å; R76-L165 PolarHBondContact N-O 3.11Å; R76-L165 PolarHBondContact O-N 3.15Å; L78-L165 HydrophobicContact CD2-CD1 3.8Å; L78-L165 HydrophobicContact CD2-CG 4.04Å; W133-L165 HydrophobicContact CH2-CB 3.73Å; W133-L165 HydrophobicContact CZ2-CB 4.27Å; W133-L165 HydrophobicContact CZ3-CB 4.45Å |
| 166 | I | 88.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.1 | 175.8 | -63 | 142.3 | 0 | 0 | 0 | 110.7 | M12 V41 L42 I44 L75 L160 L164 | M12-I166 HydrophobicContact CE-CG2 3.89Å; M12-I166 HydrophobicContact SD-CG2 3.97Å; V41-I166 CarbonylContact C-O 3.34Å; V41-I166 WeakPolarHBondContact CA-O 3.41Å; V41-I166 WeakPolarHBondContact CB-O 3.31Å; L42-I166 HydrophobicContact CB-CB 4.44Å; L42-I166 HydrophobicContact CD2-CD1 4.26Å; L42-I166 PolarHBondContact N-O 3.42Å; L42-I166 PolarHBondContact O-N 3.18Å; I44-I166 HydrophobicContact CD1-CD1 4.19Å; L75-I166 HydrophobicContact CB-CG1 4.22Å; L160-I166 HydrophobicContact CB-CD1 4.29Å; L160-I166 HydrophobicContact CD1-CD1 3.4Å; L160-I166 VanDerWaalsContact CD1-CD1 3.4Å; L160-I166 HydrophobicContact CD1-CG1 4.49Å; L160-I166 HydrophobicContact CG-CD1 4.32Å; L164-I166 HydrophobicContact CD1-CD1 3.23Å; L164-I166 HydrophobicContact CD1-CG1 3.37Å |
| 167 | Y | 85.4 | Confident | 84.7 | Confident | 45 Ų | 45 | 17.6 Ų | 17.6 | 18% | 0.176 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -40.3 | 169.5 | 176.2 | -118.3 | 0 | 0 | 0 | 112.5 | M12 I37 S39 V41 I74 E197 P200 | M12-Y167 WeakPolarHBondContact CE-O 3.14Å; I37-Y167 HydrophobicContact CD1-CG 4.43Å; S39-Y167 WeakPolarHBondContact OG-CD2 3.43Å; S39-Y167 WeakPolarHBondContact OG-CE2 3.39Å; V41-Y167 HydrophobicContact CG1-CD2 3.97Å; V41-Y167 HydrophobicContact CG1-CG 4.39Å; I74-Y167 HydrophobicContact CB-CD1 4.48Å; I74-Y167 HydrophobicContact CD1-CD1 4.31Å; I74-Y167 HydrophobicContact CG2-CD1 4.19Å; I74-Y167 PolarHBondContact O-N 3.4Å; Y167-E197 PolarHBondContact OH-O 3.02Å; Y167-P200 HydrophobicContact CE1-CG 4.09Å |
| 168 | A | 85.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L73 I74 F198 | L73-A168 WeakPolarHBondContact CA-O 3.44Å; I74-A168 HydrophobicContact CB-CB 4.09Å; I74-A168 HydrophobicContact CD1-CB 3.96Å; I74-A168 HydrophobicContact CG1-CB 4.01Å; I74-A168 PolarHBondContact N-O 3.39Å; I74-A168 PolarHBondContact O-N 3.2Å; A168-F198 HydrophobicContact CB-CD1 3.48Å; A168-F198 VanDerWaalsContact CB-CD1 3.48Å; A168-F198 HydrophobicContact CB-CE1 3.65Å; A168-F198 HydrophobicContact CB-CG 4.36Å |
| 169 | A | 87.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 117.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I11 M12 Y72 L73 L158 | I11-A169 HydrophobicContact CB-CB 4.39Å; I11-A169 WeakPolarHBondContact CB-O 3.29Å; I11-A169 PolarHBondContact N-O 3.15Å; M12-A169 HydrophobicContact CG-CB 4.11Å; Y72-A169 WeakPolarHBondContact O-CA 3.29Å; L73-A169 HydrophobicContact CD2-CB 3.47Å; L73-A169 VanDerWaalsContact CD2-CB 3.47Å; L158-A169 HydrophobicContact CD2-CB 4.35Å |
| 170 | F | 89 | Confident | 83.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 153.4 | -176.8 | 69.9 | -92.7 | 0 | 0 | 0 | 112.8 | Y8 F9 Y72 Y176 L194 F198 | Y8-F170 HydrophobicContact CD2-CD2 4.48Å; F9-F170 CarbonylContact O-C 3.46Å; F9-F170 WeakPolarHBondContact O-CA 3.46Å; F9-F170 VanDerWaalsContact O-CB 3.24Å; F9-F170 WeakPolarHBondContact O-CB 2.99Å; Y72-F170 VanDerWaalsContact CB-CE1 3.4Å; Y72-F170 HydrophobicContact CD1-CE2 4.43Å; Y72-F170 AromaticContact CD1-CZ 3.94Å; Y72-F170 HydrophobicContact CD1-CZ 3.94Å; Y72-F170 AromaticContact CD2-CD2 3.97Å; Y72-F170 HydrophobicContact CD2-CD2 3.97Å; Y72-F170 AromaticContact CD2-CE2 3.33Å; Y72-F170 HydrophobicContact CD2-CE2 3.33Å; Y72-F170 AromaticContact CD2-CZ 3.69Å; Y72-F170 HydrophobicContact CD2-CZ 3.69Å; Y72-F170 HydrophobicContact CE2-CE2 4.07Å; Y72-F170 HydrophobicContact CE2-CZ 4.48Å; Y72-F170 HydrophobicContact CG-CD2 4.28Å; Y72-F170 AromaticContact CG-CE1 3.98Å; Y72-F170 HydrophobicContact CG-CE1 3.98Å; Y72-F170 AromaticContact CG-CE2 3.56Å; Y72-F170 HydrophobicContact CG-CE2 3.56Å; Y72-F170 AromaticContact CG-CZ 3.38Å; Y72-F170 HydrophobicContact CG-CZ 3.38Å; Y72-F170 PolarHBondContact N-O 3.27Å; Y72-F170 PolarHBondContact O-N 3.09Å; F170-Y176 AromaticContact CE2-CD2 3.86Å; F170-Y176 HydrophobicContact CE2-CD2 3.86Å; F170-Y176 HydrophobicContact CE2-CE2 4.28Å; F170-Y176 HydrophobicContact CZ-CD2 4.35Å; F170-L194 HydrophobicContact CE1-CD2 3.89Å; F170-L194 HydrophobicContact CZ-CD2 3.59Å; F170-F198 HydrophobicContact CB-CE2 3.89Å; F170-F198 HydrophobicContact CB-CZ 3.74Å; F170-F198 HydrophobicContact CD1-CD1 4.34Å; F170-F198 AromaticContact CD1-CD2 3.55Å; F170-F198 HydrophobicContact CD1-CD2 3.55Å; F170-F198 HydrophobicContact CD1-CE1 4.04Å; F170-F198 AromaticContact CD1-CE2 3.2Å; F170-F198 HydrophobicContact CD1-CE2 3.2Å; F170-F198 HydrophobicContact CD1-CG 4.12Å; F170-F198 AromaticContact CD1-CZ 3.47Å; F170-F198 HydrophobicContact CD1-CZ 3.47Å; F170-F198 VanDerWaalsContact CD1-CZ 3.47Å; F170-F198 AromaticContact CD2-CE2 3.98Å; F170-F198 HydrophobicContact CD2-CE2 3.98Å; F170-F198 AromaticContact CE1-CD2 3.39Å; F170-F198 HydrophobicContact CE1-CD2 3.39Å; F170-F198 AromaticContact CE1-CE2 3.56Å; F170-F198 HydrophobicContact CE1-CE2 3.56Å; F170-F198 AromaticContact CE1-CG 3.93Å; F170-F198 HydrophobicContact CE1-CG 3.93Å; F170-F198 HydrophobicContact CE1-CZ 4.2Å; F170-F198 HydrophobicContact CE2-CD2 4.46Å; F170-F198 HydrophobicContact CE2-CE2 4.28Å; F170-F198 HydrophobicContact CG-CD2 4.17Å; F170-F198 AromaticContact CG-CE2 3.44Å; F170-F198 HydrophobicContact CG-CE2 3.44Å; F170-F198 VanDerWaalsContact CG-CE2 3.44Å; F170-F198 AromaticContact CG-CZ 3.75Å; F170-F198 HydrophobicContact CG-CZ 3.75Å; F170-F198 AromaticContact CZ-CD2 3.9Å; F170-F198 HydrophobicContact CZ-CD2 3.9Å; F170-F198 HydrophobicContact CZ-CE2 4.09Å |
| 171 | T | 89.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.6 | 173.2 | 52.5 | 0 | 0 | 0 | 0 | 111 | Q5 Y8 F9 I11 L66 Y70 L71 L155 | Q5-T171 PolarHBondContact NE2-OG1 3.26Å; Y8-T171 CarbonylContact C-O 3.56Å; Y8-T171 WeakPolarHBondContact CA-O 3.2Å; F9-T171 PolarHBondContact N-O 3.33Å; F9-T171 PolarHBondContact O-N 3.02Å; I11-T171 HydrophobicContact CD1-CG2 4.4Å; L66-T171 HydrophobicContact CB-CG2 4.49Å; L66-T171 HydrophobicContact CD1-CG2 4.49Å; Y70-T171 CarbonylContact O-C 2.88Å; Y70-T171 VanDerWaalsContact O-CA 3.24Å; Y70-T171 WeakPolarHBondContact O-CA 3.41Å; L71-T171 HydrophobicContact CB-CG2 4.42Å; L71-T171 HydrophobicContact CD1-CG2 3.97Å; L155-T171 HydrophobicContact CD2-CG2 3.87Å |
| 172 | S | 85.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156.6 | 175.5 | 61 | 0 | 0 | 0 | 0 | 112.1 | P7 Y70 Y72 N174 Y176 | P7-S172 WeakPolarHBondContact O-CB 3.03Å; Y70-S172 WeakPolarHBondContact CB-O 3.13Å; Y70-S172 WeakPolarHBondContact CD2-O 3.22Å; Y70-S172 PolarHBondContact N-O 2.79Å; Y70-S172 PolarHBondContact O-N 3.07Å; Y72-S172 WeakPolarHBondContact CE2-OG 3.46Å; S172-N174 PolarHBondContact OG-O 2.69Å; S172-Y176 WeakPolarHBondContact OG-CE2 3.46Å |
| 173 | D | 82.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 35.1 Ų | 35.1 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -86.7 | -20.4 | 167.5 | -57.2 | -47.9 | 0 | 0 | 0 | 111.7 | N6 G68 E69 Y70 | N6-D173 PolarHBondContact ND2-OD2 3.35Å; N6-D173 VanDerWaalsContact ND2-OD2 3.1Å; G68-D173 VanDerWaalsContact CA-OD1 3.25Å; G68-D173 WeakPolarHBondContact CA-OD1 3.4Å; E69-D173 PolarHBondContact N-OD1 2.82Å; Y70-D173 WeakPolarHBondContact CE2-O 3.48Å |
| 174 | N | 81.9 | Confident | 79.2 | Confident | 39 Ų | 39 | 45 Ų | 45 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -81.2 | 142.5 | 177.2 | -60.5 | -73.3 | 0 | 0 | 0 | 111.9 | N6 P7 S172 Y176 L192 | N6-N174 PolarHBondContact OD1-ND2 2.96Å; N6-N174 VanDerWaalsContact OD1-ND2 3.16Å; P7-N174 PolarHBondContact O-ND2 3.08Å; S172-N174 PolarHBondContact OG-O 2.69Å; N174-Y176 HydrophobicContact CB-CE2 3.91Å; N174-L192 HydrophobicContact CB-CD1 4.05Å |
| 175 | K | 81.6 | Confident | 77.5 | Confident | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | trans | -84.7 | 109.9 | 173.2 | -70.6 | -179.9 | -177.2 | 174.7 | 0 | 110.7 | Y70 Y72 V191 L192 | Y70-K175 HydrophobicContact CD2-CG 4.38Å; Y70-K175 HydrophobicContact CE1-CG 4.2Å; Y70-K175 HydrophobicContact CE2-CG 3.9Å; Y70-K175 WeakPolarHBondContact OH-CE 3.38Å; Y72-K175 WeakPolarHBondContact OH-CA 3.39Å; K175-V191 CarbonylContact O-C 3.44Å; K175-V191 WeakPolarHBondContact O-CA 3.41Å; K175-L192 PolarHBondContact O-N 2.91Å | ||
| 176 | Y | 83.5 | Confident | 75.8 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 155 | 174.6 | -64.7 | -70.4 | 0 | 0 | 0 | 112.7 | P7 Y72 F170 S172 N174 L192 P193 P195 | P7-Y176 PolarHBondContact O-OH 3.2Å; Y72-Y176 HydrophobicContact CE2-CD2 4.19Å; Y72-Y176 PolarHBondContact OH-N 2.86Å; Y72-Y176 PolarHBondContact OH-O 3.16Å; F170-Y176 AromaticContact CE2-CD2 3.86Å; F170-Y176 HydrophobicContact CE2-CD2 3.86Å; F170-Y176 HydrophobicContact CE2-CE2 4.28Å; F170-Y176 HydrophobicContact CZ-CD2 4.35Å; S172-Y176 WeakPolarHBondContact OG-CE2 3.46Å; N174-Y176 HydrophobicContact CB-CE2 3.91Å; Y176-L192 CarbonylContact C-O 3.58Å; Y176-L192 VanDerWaalsContact CA-O 3.28Å; Y176-L192 WeakPolarHBondContact CA-O 3.41Å; Y176-L192 HydrophobicContact CD1-CB 3.56Å; Y176-L192 HydrophobicContact CE1-CB 3.61Å; Y176-L192 HydrophobicContact CE1-CD1 3.87Å; Y176-L192 HydrophobicContact CE1-CG 4.4Å; Y176-P193 VanDerWaalsContact CD1-O 3.28Å; Y176-P193 WeakPolarHBondContact CD1-O 3.22Å; Y176-P195 HydrophobicContact CD1-CG 4.46Å; Y176-P195 HydrophobicContact CE1-CG 4.07Å; Y176-P195 HydrophobicContact CE2-CG 4.43Å |
| 177 | S | 81.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.1 | 164.6 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | F179 V180 V191 L192 L194 | S177-F179 VanDerWaalsContact C-N 3.35Å; S177-V180 VanDerWaalsContact OG-CG2 3.27Å; S177-V180 WeakPolarHBondContact OG-CG2 3.37Å; S177-V191 WeakPolarHBondContact OG-CG1 3.3Å; S177-L192 PolarHBondContact N-O 3.06Å; S177-L194 PolarHBondContact O-N 3.47Å; S177-L194 VanDerWaalsContact O-N 3.08Å |
| 178 | P | 77.8 | Confident | 72 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -73.2 | -24 | 174.8 | 26.7 | -32.8 | 0 | 0 | 0 | 113.8 | V135 L194 L213 | V135-P178 HydrophobicContact CG2-CG 4.37Å; P178-L194 HydrophobicContact CB-CD1 3.84Å; P178-L194 HydrophobicContact CG-CD1 4.49Å; P178-L213 HydrophobicContact CG-CB 4.47Å |
| 179 | F | 78.7 | Confident | 70.2 | Confident | 55 Ų | 55 | 76.6 Ų | 76.6 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -90.5 | -13.2 | -167.9 | -51.3 | -52.6 | 0 | 0 | 0 | 114.1 | S177 Y208 F211 L213 | S177-F179 VanDerWaalsContact C-N 3.35Å; F179-Y208 HydrophobicContact CB-CE1 3.97Å; F179-Y208 AromaticContact CD1-CD1 3.56Å; F179-Y208 HydrophobicContact CD1-CD1 3.56Å; F179-Y208 AromaticContact CD1-CE1 3.34Å; F179-Y208 HydrophobicContact CD1-CE1 3.34Å; F179-Y208 HydrophobicContact CD1-CG 4.32Å; F179-Y208 AromaticContact CD1-CZ 3.95Å; F179-Y208 HydrophobicContact CD2-CE1 4.34Å; F179-Y208 AromaticContact CE1-CD1 3.62Å; F179-Y208 HydrophobicContact CE1-CD1 3.62Å; F179-Y208 AromaticContact CE1-CE1 3.88Å; F179-Y208 HydrophobicContact CE1-CE1 3.88Å; F179-Y208 HydrophobicContact CE1-CG 4.37Å; F179-Y208 HydrophobicContact CG-CD1 4.25Å; F179-Y208 AromaticContact CG-CE1 3.62Å; F179-Y208 HydrophobicContact CG-CE1 3.62Å; F179-Y208 HydrophobicContact CZ-CD1 4.34Å; F179-F211 WeakPolarHBondContact CZ-O 3.37Å; F179-L213 HydrophobicContact CD2-CB 4.48Å; F179-L213 HydrophobicContact CE2-CB 3.73Å; F179-L213 HydrophobicContact CZ-CB 4.48Å |
| 180 | V | 74.2 | Confident | 68.7 | Low | 36 Ų | 36 | 78.6 Ų | 78.6 | 22% | 0.218 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 126.6 | 174.2 | 166.4 | 0 | 0 | 0 | 0 | 110.5 | S177 M186 V191 P193 | S177-V180 VanDerWaalsContact OG-CG2 3.27Å; S177-V180 WeakPolarHBondContact OG-CG2 3.37Å; V180-M186 HydrophobicContact CG1-CE 3.93Å; V180-M186 HydrophobicContact CG1-SD 4.33Å; V180-V191 HydrophobicContact CG2-CG1 4.26Å; V180-P193 HydrophobicContact CB-CB 4.5Å; V180-P193 HydrophobicContact CG1-CB 4.16Å; V180-P193 HydrophobicContact CG1-CG 4.46Å; V180-P193 WeakPolarHBondContact O-CB 3.46Å |
| 181 | S | 66 | Low | 67.7 | Low | 52 Ų | 52 | 81.7 Ų | 81.7 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 133.9 | 170 | 63 | 0 | 0 | 0 | 0 | 111.3 | R183 | S181-R183 PolarHBondContact O-N 3.18Š|
| 182 | R | 63.7 | Low | 67.3 | Low | 123 Ų | 123 | 83.6 Ų | 83.6 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 118.7 | 172.6 | -70.8 | 162.8 | -178.3 | -92.6 | -6.6 | 111.2 | P193 L194 | R182-P193 HydrophobicContact CB-CG 4.33Å; R182-P193 HydrophobicContact CG-CB 3.71Å; R182-P193 HydrophobicContact CG-CG 3.43Å; R182-P193 VanDerWaalsContact CG-CG 3.43Å; R182-L194 PolarHBondContact NH2-O 2.85Å |
| 183 | R | 59 | Low | 67 | Low | 193 Ų | 193 | 84.3 Ų | 84.3 | 73% | 0.728 | 41% | 0.407 | S | S | * | . | trans | -115.4 | 150.6 | 166.1 | -63.5 | -176.9 | -179.2 | -173.2 | -0.2 | 108.5 | S181 N185 M186 | S181-R183 PolarHBondContact O-N 3.18Å; R183-N185 VanDerWaalsContact C-N 3.35Å; R183-N185 PolarHBondContact O-N 2.64Å; R183-M186 HydrophobicContact CB-CG 4.18Å; R183-M186 HydrophobicContact CB-SD 4.38Å | ||
| 184 | K | 51.5 | Low | 66.8 | Low | 210 Ų | 210 | 81.3 Ų | 81.3 | 91% | 0.913 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -65.1 | -35.3 | -173.3 | -72.2 | -170.3 | 176.2 | -174.6 | 0 | 113.4 | ||
| 185 | N | 50.7 | Low | 66.6 | Low | 145 Ų | 145 | 79.8 Ų | 79.8 | 78% | 0.775 | 38% | 0.383 | S | S | * | . | trans | -114.3 | 87.9 | -173.4 | -56.9 | 34.6 | 0 | 0 | 0 | 109 | R183 | R183-N185 VanDerWaalsContact C-N 3.35Å; R183-N185 PolarHBondContact O-N 2.64Å | ||
| 186 | M | 48.4 | Very low | 66.3 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 32% | 0.315 | 40% | 0.402 | S | S | . | . | trans | -119.4 | 119.9 | 175.4 | -65.9 | -167.4 | 70.3 | 0 | 0 | 110 | V180 R183 L192 | V180-M186 HydrophobicContact CG1-CE 3.93Å; V180-M186 HydrophobicContact CG1-SD 4.33Å; R183-M186 HydrophobicContact CB-CG 4.18Å; R183-M186 HydrophobicContact CB-SD 4.38Å; M186-L192 HydrophobicContact CB-CD2 4.5Å | ||
| 187 | H | 49.4 | Very low | 65.9 | Low | 161 Ų | 161 | 86.4 Ų | 86.4 | 75% | 0.745 | 41% | 0.413 | S | S | * | . | trans | -73.1 | 152.9 | -176.3 | -62.1 | -77.6 | 0 | 0 | 0 | 112.4 | N189 S190 | H187-N189 PolarHBondContact O-N 3.18Å; H187-S190 WeakPolarHBondContact O-CB 2.9Å; H187-S190 PolarHBondContact O-N 3.19Å; H187-S190 PolarHBondContact O-OG 3.13Å | ||
| 188 | K | 45.3 | Very low | 65.8 | Low | 191 Ų | 191 | 86.2 Ų | 86.2 | 83% | 0.83 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -18.2 | -170.4 | -71.4 | -178.8 | 174.9 | 176.1 | 0 | 116.2 | ||
| 189 | N | 48.3 | Very low | 65.4 | Low | 169 Ų | 169 | 87.8 Ų | 87.8 | 90% | 0.904 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 6.8 | 178.7 | -67.5 | -1.2 | 0 | 0 | 0 | 114.3 | H187 | H187-N189 PolarHBondContact O-N 3.18Š|
| 190 | S | 54.3 | Low | 64.5 | Low | 43 Ų | 43 | 87.2 Ų | 87.2 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -93.1 | 151.7 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | H187 L192 | H187-S190 WeakPolarHBondContact O-CB 2.9Å; H187-S190 PolarHBondContact O-N 3.19Å; H187-S190 PolarHBondContact O-OG 3.13Å; S190-L192 PolarHBondContact O-N 3Å |
| 191 | V | 69.2 | Low | 63.9 | Low | 64 Ų | 64 | 86.5 Ų | 86.5 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 120 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | K175 S177 V180 | K175-V191 CarbonylContact O-C 3.44Å; K175-V191 WeakPolarHBondContact O-CA 3.41Å; S177-V191 WeakPolarHBondContact OG-CG1 3.3Å; V180-V191 HydrophobicContact CG2-CG1 4.26Å |
| 192 | L | 80 | Confident | 63.5 | Low | 40 Ų | 40 | 91.5 Ų | 91.5 | 21% | 0.209 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 154 | -175.2 | -65 | -175.7 | 0 | 0 | 0 | 112.2 | N174 K175 Y176 S177 M186 S190 | N174-L192 HydrophobicContact CB-CD1 4.05Å; K175-L192 PolarHBondContact O-N 2.91Å; Y176-L192 CarbonylContact C-O 3.58Å; Y176-L192 VanDerWaalsContact CA-O 3.28Å; Y176-L192 WeakPolarHBondContact CA-O 3.41Å; Y176-L192 HydrophobicContact CD1-CB 3.56Å; Y176-L192 HydrophobicContact CE1-CB 3.61Å; Y176-L192 HydrophobicContact CE1-CD1 3.87Å; Y176-L192 HydrophobicContact CE1-CG 4.4Å; S177-L192 PolarHBondContact N-O 3.06Å; M186-L192 HydrophobicContact CB-CD2 4.5Å; S190-L192 PolarHBondContact O-N 3Å |
| 193 | P | 79.9 | Confident | 63.6 | Low | 15 Ų | 15 | 90.5 Ų | 90.5 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.2 | 167.2 | 29.2 | -34.2 | 0 | 0 | 0 | 110.9 | Y176 V180 R182 | Y176-P193 VanDerWaalsContact CD1-O 3.28Å; Y176-P193 WeakPolarHBondContact CD1-O 3.22Å; V180-P193 HydrophobicContact CB-CB 4.5Å; V180-P193 HydrophobicContact CG1-CB 4.16Å; V180-P193 HydrophobicContact CG1-CG 4.46Å; V180-P193 WeakPolarHBondContact O-CB 3.46Å; R182-P193 HydrophobicContact CB-CG 4.33Å; R182-P193 HydrophobicContact CG-CB 3.71Å; R182-P193 HydrophobicContact CG-CG 3.43Å; R182-P193 VanDerWaalsContact CG-CG 3.43Å |
| 194 | L | 78.1 | Confident | 63.7 | Low | 4 Ų | 4 | 85 Ų | 85 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -48.1 | 136.5 | 174.7 | -95.3 | 166.1 | 0 | 0 | 0 | 112.1 | I74 F170 S177 P178 R182 F198 | I74-L194 HydrophobicContact CD1-CD1 4.41Å; F170-L194 HydrophobicContact CE1-CD2 3.89Å; F170-L194 HydrophobicContact CZ-CD2 3.59Å; S177-L194 PolarHBondContact O-N 3.47Å; S177-L194 VanDerWaalsContact O-N 3.08Å; P178-L194 HydrophobicContact CB-CD1 3.84Å; P178-L194 HydrophobicContact CG-CD1 4.49Å; R182-L194 PolarHBondContact NH2-O 2.85Å; L194-F198 HydrophobicContact CD2-CB 3.92Å; L194-F198 HydrophobicContact CD2-CD2 4.43Å |
| 195 | P | 78.2 | Confident | 64.3 | Low | 8 Ų | 8 | 82.7 Ų | 82.7 | 5% | 0.052 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 155.3 | 175.9 | -29.7 | 35 | 0 | 0 | 0 | 114.3 | Y8 Y176 E197 F198 Q199 | Y8-P195 HydrophobicContact CD1-CB 4.14Å; Y8-P195 HydrophobicContact CD1-CG 3.47Å; Y8-P195 VanDerWaalsContact CD1-CG 3.47Å; Y8-P195 HydrophobicContact CD2-CG 4.3Å; Y8-P195 HydrophobicContact CE1-CB 3.49Å; Y8-P195 VanDerWaalsContact CE1-CB 3.49Å; Y8-P195 HydrophobicContact CE1-CG 3.37Å; Y8-P195 HydrophobicContact CE2-CB 4.09Å; Y8-P195 HydrophobicContact CE2-CG 4.17Å; Y8-P195 HydrophobicContact CG-CG 3.99Å; Y8-P195 VanDerWaalsContact CZ-CB 3.47Å; Y176-P195 HydrophobicContact CD1-CG 4.46Å; Y176-P195 HydrophobicContact CE1-CG 4.07Å; Y176-P195 HydrophobicContact CE2-CG 4.43Å; P195-E197 VanDerWaalsContact C-N 3.3Å; P195-E197 PolarHBondContact O-N 2.96Å; P195-F198 HydrophobicContact CB-CD2 3.83Å; P195-F198 HydrophobicContact CB-CE2 4.34Å; P195-F198 HydrophobicContact CG-CD2 3.89Å; P195-F198 HydrophobicContact CG-CE2 4.3Å; P195-F198 CarbonylContact O-C 3.56Å; P195-F198 WeakPolarHBondContact O-CA 3.16Å; P195-F198 PolarHBondContact O-N 2.91Å; P195-Q199 PolarHBondContact O-N 2.98Å |
| 196 | K | 74.7 | Confident | 65 | Low | 174 Ų | 174 | 81.7 Ų | 81.7 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -59 | -40.3 | -171.2 | -77.9 | -167.2 | 178.7 | -177.8 | 0 | 112.4 | F198 Q199 | K196-F198 PolarHBondContact O-N 3.45Å; K196-Q199 PolarHBondContact O-N 3.1Å |
| 197 | E | 74.8 | Confident | 65.9 | Low | 55 Ų | 55 | 78.8 Ų | 78.8 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -65.9 | -15.2 | 176.8 | 57.8 | 179.5 | -127.6 | 0 | 0 | 113.9 | Y8 N10 K13 Y167 P195 | Y8-E197 HydrophobicContact CE2-CG 4.34Å; N10-E197 WeakPolarHBondContact CB-OE1 3.38Å; N10-E197 PolarHBondContact ND2-OE1 2.76Å; K13-E197 IonicContact NZ-OE2 2.66Å; K13-E197 PolarHBondContact NZ-OE2 2.91Å; Y167-E197 PolarHBondContact OH-O 3.02Å; P195-E197 VanDerWaalsContact C-N 3.3Å; P195-E197 PolarHBondContact O-N 2.96Å |
| 198 | F | 79.2 | Confident | 66.7 | Low | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -110.9 | 7.4 | 178.9 | -52.9 | -45.1 | 0 | 0 | 0 | 114.1 | Y8 N10 I74 A168 F170 L194 P195 K196 P200 | Y8-F198 AromaticContact CD2-CE2 3.61Å; Y8-F198 HydrophobicContact CD2-CE2 3.61Å; Y8-F198 HydrophobicContact CD2-CZ 4.24Å; Y8-F198 HydrophobicContact CE2-CD2 4.44Å; Y8-F198 AromaticContact CE2-CE2 3.55Å; Y8-F198 HydrophobicContact CE2-CE2 3.55Å; Y8-F198 HydrophobicContact CE2-CZ 4.07Å; N10-F198 HydrophobicContact CB-CZ 3.89Å; N10-F198 VanDerWaalsContact ND2-CE1 3.32Å; N10-F198 WeakPolarHBondContact ND2-CE1 3.47Å; N10-F198 WeakPolarHBondContact ND2-CZ 3.21Å; I74-F198 HydrophobicContact CD1-CB 4.21Å; A168-F198 HydrophobicContact CB-CD1 3.48Å; A168-F198 VanDerWaalsContact CB-CD1 3.48Å; A168-F198 HydrophobicContact CB-CE1 3.65Å; A168-F198 HydrophobicContact CB-CG 4.36Å; F170-F198 HydrophobicContact CB-CE2 3.89Å; F170-F198 HydrophobicContact CB-CZ 3.74Å; F170-F198 HydrophobicContact CD1-CD1 4.34Å; F170-F198 AromaticContact CD1-CD2 3.55Å; F170-F198 HydrophobicContact CD1-CD2 3.55Å; F170-F198 HydrophobicContact CD1-CE1 4.04Å; F170-F198 AromaticContact CD1-CE2 3.2Å; F170-F198 HydrophobicContact CD1-CE2 3.2Å; F170-F198 HydrophobicContact CD1-CG 4.12Å; F170-F198 AromaticContact CD1-CZ 3.47Å; F170-F198 HydrophobicContact CD1-CZ 3.47Å; F170-F198 VanDerWaalsContact CD1-CZ 3.47Å; F170-F198 AromaticContact CD2-CE2 3.98Å; F170-F198 HydrophobicContact CD2-CE2 3.98Å; F170-F198 AromaticContact CE1-CD2 3.39Å; F170-F198 HydrophobicContact CE1-CD2 3.39Å; F170-F198 AromaticContact CE1-CE2 3.56Å; F170-F198 HydrophobicContact CE1-CE2 3.56Å; F170-F198 AromaticContact CE1-CG 3.93Å; F170-F198 HydrophobicContact CE1-CG 3.93Å; F170-F198 HydrophobicContact CE1-CZ 4.2Å; F170-F198 HydrophobicContact CE2-CD2 4.46Å; F170-F198 HydrophobicContact CE2-CE2 4.28Å; F170-F198 HydrophobicContact CG-CD2 4.17Å; F170-F198 AromaticContact CG-CE2 3.44Å; F170-F198 HydrophobicContact CG-CE2 3.44Å; F170-F198 VanDerWaalsContact CG-CE2 3.44Å; F170-F198 AromaticContact CG-CZ 3.75Å; F170-F198 HydrophobicContact CG-CZ 3.75Å; F170-F198 AromaticContact CZ-CD2 3.9Å; F170-F198 HydrophobicContact CZ-CD2 3.9Å; F170-F198 HydrophobicContact CZ-CE2 4.09Å; L194-F198 HydrophobicContact CD2-CB 3.92Å; L194-F198 HydrophobicContact CD2-CD2 4.43Å; P195-F198 HydrophobicContact CB-CD2 3.83Å; P195-F198 HydrophobicContact CB-CE2 4.34Å; P195-F198 HydrophobicContact CG-CD2 3.89Å; P195-F198 HydrophobicContact CG-CE2 4.3Å; P195-F198 CarbonylContact O-C 3.56Å; P195-F198 WeakPolarHBondContact O-CA 3.16Å; P195-F198 PolarHBondContact O-N 2.91Å; K196-F198 PolarHBondContact O-N 3.45Å; F198-P200 VanDerWaalsContact C-CD 3.44Å; F198-P200 WeakPolarHBondContact O-CD 3.36Å |
| 199 | Q | 69.8 | Low | 67.9 | Low | 36 Ų | 36 | 74 Ų | 74 | 17% | 0.168 | 37% | 0.366 | C | S | . | . | trans | -116.7 | 75.6 | -178.8 | -170.1 | 169.3 | 28.2 | 0 | 0 | 110.9 | P195 K196 | P195-Q199 PolarHBondContact O-N 2.98Å; K196-Q199 PolarHBondContact O-N 3.1Å | ||
| 200 | P | 59.8 | Low | 69 | Low | 42 Ų | 42 | 67.3 Ų | 67.3 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -75.4 | -31.4 | -170.9 | 29.2 | -35.6 | 0 | 0 | 0 | 113.8 | I37 Y167 F198 F211 | I37-P200 HydrophobicContact CG2-CB 3.45Å; I37-P200 VanDerWaalsContact CG2-CB 3.45Å; I37-P200 HydrophobicContact CG2-CG 3.48Å; I37-P200 VanDerWaalsContact CG2-CG 3.48Å; Y167-P200 HydrophobicContact CE1-CG 4.09Å; F198-P200 VanDerWaalsContact C-CD 3.44Å; F198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-F211 HydrophobicContact CG-CE2 4.28Å; P200-F211 HydrophobicContact CG-CZ 3.88Å | ||
| 201 | V | 61.7 | Low | 70.1 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 13% | 0.127 | 32% | 0.319 | C | S | . | . | trans | -103 | 111.4 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | N203 K206 L207 F211 | V201-N203 VanDerWaalsContact C-N 3.32Å; V201-N203 PolarHBondContact O-N 2.57Å; V201-K206 HydrophobicContact CG1-CB 3.66Å; V201-L207 HydrophobicContact CB-CD2 3.92Å; V201-L207 HydrophobicContact CB-CG 4.27Å; V201-L207 HydrophobicContact CG1-CD2 4.46Å; V201-L207 HydrophobicContact CG1-CG 4.3Å; V201-L207 WeakPolarHBondContact O-CD1 3.06Å; V201-L207 WeakPolarHBondContact O-CD2 3.28Å; V201-L207 WeakPolarHBondContact O-CG 3.35Å; V201-F211 HydrophobicContact CG2-CE2 4.35Å | ||
| 202 | L | 57.2 | Low | 70.6 | Confident | 158 Ų | 158 | 66.3 Ų | 66.3 | 83% | 0.827 | 32% | 0.318 | S | S | * | . | trans | -74.3 | -18.4 | -179.4 | -72.7 | 168.8 | 0 | 0 | 0 | 114.2 | ||||
| 203 | N | 65.9 | Low | 70.7 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | trans | -96.1 | 110.9 | -169.9 | -167.1 | -21.4 | 0 | 0 | 0 | 111.5 | V201 K205 K206 L207 | V201-N203 VanDerWaalsContact C-N 3.32Å; V201-N203 PolarHBondContact O-N 2.57Å; N203-K205 VanDerWaalsContact C-N 3.27Å; N203-K205 PolarHBondContact O-N 3.25Å; N203-K205 VanDerWaalsContact O-N 3.13Å; N203-K206 PolarHBondContact O-N 2.87Å; N203-L207 PolarHBondContact O-N 3.39Å | ||
| 204 | L | 62 | Low | 70.6 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.8 | -34.9 | -172.4 | -79.6 | 164.8 | 0 | 0 | 0 | 114.7 | L207 Y208 | L204-L207 HydrophobicContact CD2-CD1 4.11Å; L204-L207 WeakPolarHBondContact O-CB 3.23Å; L204-L207 PolarHBondContact O-N 3.4Å; L204-Y208 WeakPolarHBondContact O-CD2 3.16Å; L204-Y208 PolarHBondContact O-N 3.15Å |
| 205 | K | 63.7 | Low | 70.7 | Confident | 161 Ų | 161 | 67.5 Ų | 67.5 | 70% | 0.7 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.1 | -50 | 175.8 | -72.6 | -164.1 | 170.8 | -160.6 | 0 | 111.6 | N203 L207 Y208 E209 | N203-K205 VanDerWaalsContact C-N 3.27Å; N203-K205 PolarHBondContact O-N 3.25Å; N203-K205 VanDerWaalsContact O-N 3.13Å; K205-L207 PolarHBondContact O-N 2.8Å; K205-Y208 PolarHBondContact O-N 3.21Å; K205-E209 PolarHBondContact O-N 2.68Å |
| 206 | K | 65.4 | Low | 70.6 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -30.1 | 175.2 | -72.8 | -162 | 170.7 | -163.7 | 0 | 112.6 | V201 N203 E209 T210 | V201-K206 HydrophobicContact CG1-CB 3.66Å; N203-K206 PolarHBondContact O-N 2.87Å; K206-E209 WeakPolarHBondContact CA-OE2 3.07Å; K206-E209 PolarHBondContact O-N 2.85Å; K206-T210 WeakPolarHBondContact O-CB 3.37Å; K206-T210 WeakPolarHBondContact O-CG2 3.41Å; K206-T210 PolarHBondContact O-N 2.85Å; K206-T210 PolarHBondContact O-OG1 3.37Å |
| 207 | L | 66.5 | Low | 70 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -42 | 174.9 | -79 | 171.3 | 0 | 0 | 0 | 112.6 | V201 N203 L204 K205 E209 F211 | V201-L207 HydrophobicContact CB-CD2 3.92Å; V201-L207 HydrophobicContact CB-CG 4.27Å; V201-L207 HydrophobicContact CG1-CD2 4.46Å; V201-L207 HydrophobicContact CG1-CG 4.3Å; V201-L207 WeakPolarHBondContact O-CD1 3.06Å; V201-L207 WeakPolarHBondContact O-CD2 3.28Å; V201-L207 WeakPolarHBondContact O-CG 3.35Å; N203-L207 PolarHBondContact O-N 3.39Å; L204-L207 HydrophobicContact CD2-CD1 4.11Å; L204-L207 WeakPolarHBondContact O-CB 3.23Å; L204-L207 PolarHBondContact O-N 3.4Å; K205-L207 PolarHBondContact O-N 2.8Å; L207-E209 VanDerWaalsContact C-N 3.34Å; L207-F211 HydrophobicContact CD2-CD2 3.64Å; L207-F211 HydrophobicContact CD2-CE2 3.95Å; L207-F211 WeakPolarHBondContact O-CB 3.34Å; L207-F211 PolarHBondContact O-N 2.83Å |
| 208 | Y | 67.7 | Low | 69.6 | Low | 131 Ų | 131 | 64 Ų | 64 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.5 | -28.1 | 174.2 | -68.9 | -71.7 | 0 | 0 | 0 | 113.1 | K132 F179 L204 K205 | K132-Y208 PolarHBondContact NZ-O 2.95Å; F179-Y208 HydrophobicContact CB-CE1 3.97Å; F179-Y208 AromaticContact CD1-CD1 3.56Å; F179-Y208 HydrophobicContact CD1-CD1 3.56Å; F179-Y208 AromaticContact CD1-CE1 3.34Å; F179-Y208 HydrophobicContact CD1-CE1 3.34Å; F179-Y208 HydrophobicContact CD1-CG 4.32Å; F179-Y208 AromaticContact CD1-CZ 3.95Å; F179-Y208 HydrophobicContact CD2-CE1 4.34Å; F179-Y208 AromaticContact CE1-CD1 3.62Å; F179-Y208 HydrophobicContact CE1-CD1 3.62Å; F179-Y208 AromaticContact CE1-CE1 3.88Å; F179-Y208 HydrophobicContact CE1-CE1 3.88Å; F179-Y208 HydrophobicContact CE1-CG 4.37Å; F179-Y208 HydrophobicContact CG-CD1 4.25Å; F179-Y208 AromaticContact CG-CE1 3.62Å; F179-Y208 HydrophobicContact CG-CE1 3.62Å; F179-Y208 HydrophobicContact CZ-CD1 4.34Å; L204-Y208 WeakPolarHBondContact O-CD2 3.16Å; L204-Y208 PolarHBondContact O-N 3.15Å; K205-Y208 PolarHBondContact O-N 3.21Å |
| 209 | E | 68.7 | Low | 68.2 | Low | 120 Ų | 120 | 68.1 Ų | 68.1 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.6 | -41.3 | 174 | -69.2 | 158.4 | -171.1 | 0 | 0 | 111.6 | K132 K205 K206 L207 | K132-E209 WeakPolarHBondContact CD-O 3.35Å; K132-E209 WeakPolarHBondContact CE-O 3.46Å; K132-E209 PolarHBondContact NZ-O 2.92Å; K132-E209 VanDerWaalsContact NZ-O 3.07Å; K205-E209 PolarHBondContact O-N 2.68Å; K206-E209 WeakPolarHBondContact CA-OE2 3.07Å; K206-E209 PolarHBondContact O-N 2.85Å; L207-E209 VanDerWaalsContact C-N 3.34Å |
| 210 | T | 72.1 | Confident | 66.7 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.172 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -95.3 | -33.9 | -172.1 | 51.1 | 0 | 0 | 0 | 0 | 115.5 | W133 K206 | W133-T210 PolarHBondContact N-O 3.31Å; K206-T210 WeakPolarHBondContact O-CB 3.37Å; K206-T210 WeakPolarHBondContact O-CG2 3.41Å; K206-T210 PolarHBondContact O-N 2.85Å; K206-T210 PolarHBondContact O-OG1 3.37Å |
| 211 | F | 78 | Confident | 65.3 | Low | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.4 | -173.6 | -69.6 | -85.2 | 0 | 0 | 0 | 114 | I37 I74 W133 V135 F179 P200 V201 L207 | I37-F211 HydrophobicContact CD1-CE1 4.04Å; I37-F211 HydrophobicContact CD1-CZ 3.65Å; I37-F211 HydrophobicContact CG1-CZ 4.04Å; I74-F211 HydrophobicContact CG2-CD1 4.49Å; I74-F211 HydrophobicContact CG2-CE1 3.88Å; W133-F211 HydrophobicContact CB-CD1 3.67Å; W133-F211 HydrophobicContact CB-CE1 3.65Å; W133-F211 HydrophobicContact CB-CG 4.46Å; W133-F211 HydrophobicContact CB-CZ 4.42Å; W133-F211 HydrophobicContact CG-CE1 4.3Å; W133-F211 CarbonylContact O-C 3.56Å; W133-F211 VanDerWaalsContact O-CA 3.28Å; W133-F211 WeakPolarHBondContact O-CA 3.13Å; V135-F211 HydrophobicContact CG2-CD1 4.03Å; F179-F211 WeakPolarHBondContact CZ-O 3.37Å; P200-F211 HydrophobicContact CG-CE2 4.28Å; P200-F211 HydrophobicContact CG-CZ 3.88Å; V201-F211 HydrophobicContact CG2-CE2 4.35Å; L207-F211 HydrophobicContact CD2-CD2 3.64Å; L207-F211 HydrophobicContact CD2-CE2 3.95Å; L207-F211 WeakPolarHBondContact O-CB 3.34Å; L207-F211 PolarHBondContact O-N 2.83Å |
| 212 | E | 80.1 | Confident | 63.8 | Low | 78 Ų | 78 | 79 Ų | 79 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.3 | 172.3 | -165.2 | 176.5 | 143.5 | 0 | 0 | 109.5 | W133 V134 V135 V214 | W133-E212 PolarHBondContact O-N 2.8Å; V134-E212 WeakPolarHBondContact CA-O 3.31Å; V134-E212 HydrophobicContact CG2-CB 4.2Å; V135-E212 PolarHBondContact N-O 2.92Å; E212-V214 HydrophobicContact CG-CG2 4.39Å |
| 213 | L | 81 | Confident | 62.3 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.2 | 178.9 | 178.9 | 72.3 | 0 | 0 | 0 | 109.2 | V135 P178 F179 T215 | V135-L213 HydrophobicContact CB-CD1 3.88Å; V135-L213 HydrophobicContact CG1-CD1 3.71Å; P178-L213 HydrophobicContact CG-CB 4.47Å; F179-L213 HydrophobicContact CD2-CB 4.48Å; F179-L213 HydrophobicContact CE2-CB 3.73Å; F179-L213 HydrophobicContact CZ-CB 4.48Å; L213-T215 HydrophobicContact CG-CG2 4.34Å |
| 214 | V | 78.3 | Confident | 60.4 | Low | 10 Ų | 10 | 83.4 Ų | 83.4 | 6% | 0.061 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.1 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 109 | L121 V134 V135 L136 R137 E212 I216 | L121-V214 HydrophobicContact CD2-CG2 4.03Å; V134-V214 HydrophobicContact CG1-CB 4.05Å; V134-V214 HydrophobicContact CG1-CG2 3.8Å; V135-V214 PolarHBondContact O-N 3.48Å; L136-V214 WeakPolarHBondContact CA-O 3.38Å; L136-V214 HydrophobicContact CD2-CB 4.01Å; L136-V214 HydrophobicContact CD2-CG1 4.18Å; R137-V214 PolarHBondContact N-O 2.75Å; E212-V214 HydrophobicContact CG-CG2 4.39Å; V214-I216 HydrophobicContact CG1-CD1 4.45Å; V214-I216 HydrophobicContact CG1-CG1 4.3Å |
| 215 | T | 79.6 | Confident | 58.6 | Low | 27 Ų | 27 | 88.7 Ų | 88.7 | 17% | 0.166 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.9 | -173.8 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | R137 L213 P217 E218 | R137-T215 HydrophobicContact CB-CG2 4.26Å; L213-T215 HydrophobicContact CG-CG2 4.34Å; T215-P217 CarbonylContact C-O 3.33Å; T215-P217 CarbonylContact O-C 3.56Å; T215-P217 VanDerWaalsContact O-C 3.29Å; T215-E218 WeakPolarHBondContact O-CA 3.32Å; T215-E218 WeakPolarHBondContact O-CG 3.43Å; T215-E218 PolarHBondContact O-N 2.8Å |
| 216 | I | 75.8 | Confident | 56.9 | Low | 21 Ų | 21 | 85.2 Ų | 85.2 | 11% | 0.108 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.4 | -172.1 | -62.3 | 176.7 | 0 | 0 | 0 | 109.9 | L117 L119 L136 R137 F138 D139 I143 V214 | L117-I216 HydrophobicContact CD1-CG2 3.89Å; L119-I216 HydrophobicContact CD1-CD1 3.71Å; L119-I216 HydrophobicContact CG-CD1 4.07Å; L136-I216 HydrophobicContact CD2-CD1 4.46Å; R137-I216 PolarHBondContact O-N 2.92Å; F138-I216 HydrophobicContact CD1-CB 3.89Å; F138-I216 HydrophobicContact CD1-CD1 4.16Å; F138-I216 HydrophobicContact CD1-CG2 3.99Å; F138-I216 HydrophobicContact CE1-CB 4.22Å; F138-I216 HydrophobicContact CE1-CD1 3.58Å; F138-I216 HydrophobicContact CE1-CG1 4.44Å; F138-I216 HydrophobicContact CE1-CG2 4.25Å; F138-I216 HydrophobicContact CZ-CD1 4.21Å; D139-I216 PolarHBondContact N-O 2.7Å; I143-I216 HydrophobicContact CD1-CG2 4Å; I143-I216 HydrophobicContact CG1-CG2 4.26Å; V214-I216 HydrophobicContact CG1-CD1 4.45Å; V214-I216 HydrophobicContact CG1-CG1 4.3Å |
| 217 | P | 63.3 | Low | 54.9 | Low | 14 Ų | 14 | 89 Ų | 89 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | S | Bend | cis | -62.6 | 155.4 | -9.2 | 31.4 | -37.2 | 0 | 0 | 0 | 111.7 | K142 K146 T215 D219 | K142-P217 HydrophobicContact CB-CG 3.81Å; K142-P217 HydrophobicContact CD-CG 4.07Å; K146-P217 HydrophobicContact CD-CB 4.03Å; K146-P217 HydrophobicContact CD-CG 4.21Å; T215-P217 CarbonylContact C-O 3.33Å; T215-P217 CarbonylContact O-C 3.56Å; T215-P217 VanDerWaalsContact O-C 3.29Å; P217-D219 PolarHBondContact O-N 3.44Å |
| 218 | E | 66.7 | Low | 52.9 | Low | 129 Ų | 129 | 96.3 Ų | 96.3 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | trans | -60.9 | 133.7 | 174 | -68.2 | 167.7 | -178.3 | 0 | 0 | 109.6 | T215 G220 | T215-E218 WeakPolarHBondContact O-CA 3.32Å; T215-E218 WeakPolarHBondContact O-CG 3.43Å; T215-E218 PolarHBondContact O-N 2.8Å; E218-G220 PolarHBondContact O-N 3.34Å | ||
| 219 | D | 49.3 | Very low | 50.8 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | trans | -78.4 | 62.6 | 178.5 | -69.9 | -52.4 | 0 | 0 | 0 | 109.4 | R137 K142 P217 | R137-D219 IonicContact CZ-OD2 3.49Å; R137-D219 IonicContact NH2-OD2 3.72Å; R137-D219 PolarHBondContact NH2-OD2 2.83Å; K142-D219 IonicContact NZ-OD1 2.75Å; K142-D219 PolarHBondContact NZ-OD1 2.85Å; P217-D219 PolarHBondContact O-N 3.44Å | ||
| 220 | G | 38.3 | Very low | 48.6 | Very low | 56 Ų | 56 | 92.9 Ų | 92.9 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | trans | -73.8 | 144.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | E218 | E218-G220 PolarHBondContact O-N 3.34Š| ||
| 221 | T | 31 | Very low | 46.3 | Very low | 108 Ų | 108 | 97.6 Ų | 97.6 | 66% | 0.663 | 55% | 0.553 | S | S | * | * | trans | -69.2 | 138.6 | 165.7 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | H223 | T221-H223 PolarHBondContact O-N 3.4Š| ||
| 222 | D | 29.7 | Very low | 43.7 | Very low | 162 Ų | 162 | 104 Ų | 104 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -72.3 | 31.2 | -175 | -61.6 | -61.8 | 0 | 0 | 0 | 114.9 | ||
| 223 | H | 26.2 | Very low | 41 | Very low | 173 Ų | 173 | 104 Ų | 104 | 80% | 0.801 | 61% | 0.613 | S | S | * | * | trans | -124.7 | 53.2 | 178.1 | -70.1 | -17.7 | 0 | 0 | 0 | 111.5 | T221 | T221-H223 PolarHBondContact O-N 3.4Š| ||
| 224 | F | 25.9 | Very low | 38.3 | Very low | 180 Ų | 180 | 109.6 Ų | 109.6 | 79% | 0.789 | 64% | 0.643 | S | S | * | * | trans | -117.3 | 59.4 | 162.9 | -88.9 | -79 | 0 | 0 | 0 | 111.1 | A226 | F224-A226 VanDerWaalsContact C-N 3.33Å; F224-A226 PolarHBondContact O-N 2.85Å | ||
| 225 | E | 24.2 | Very low | 35.5 | Very low | 188 Ų | 188 | 116 Ų | 116 | 88% | 0.879 | 68% | 0.675 | S | S | * | * | trans | -61.3 | 99.8 | 153.5 | -68.7 | -170.6 | 151.5 | 0 | 0 | 108 | K227 | E225-K227 PolarHBondContact O-N 3.49Š| ||
| 226 | A | 26.3 | Very low | 32.9 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | -70 | 91.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F224 N228 | F224-A226 VanDerWaalsContact C-N 3.33Å; F224-A226 PolarHBondContact O-N 2.85Å; A226-N228 PolarHBondContact O-N 2.91Å | ||
| 227 | K | 24.7 | Very low | 30.4 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -50.9 | 133.7 | 173 | -74.8 | -176.8 | 176.1 | 177.4 | 0 | 110.4 | E225 | E225-K227 PolarHBondContact O-N 3.49Š| ||
| 228 | N | 24.5 | Very low | 28.5 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -53.2 | 145.5 | -172.4 | -70.8 | -45.5 | 0 | 0 | 0 | 113.1 | A226 G230 | A226-N228 PolarHBondContact O-N 2.91Å; N228-G230 PolarHBondContact O-N 2.78Å | ||
| 229 | A | 23.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 93% | 0.934 | 78% | 0.781 | S | S | * | * | trans | -63 | 105.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 230 | G | 23.5 | Very low | 25.1 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -108.4 | 103.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N228 | N228-G230 PolarHBondContact O-N 2.78Š| ||
| 231 | T | 23.2 | Very low | 24.7 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -0.3 | 119 | 162.4 | 50.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 232 | T | 23.3 | Very low | 24.2 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | 50.3 | 104.2 | 140.4 | 58.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 233 | G | 23.9 | Very low | 23.9 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -154.5 | 128 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 234 | N | 23.1 | Very low | 24 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -59.8 | 140.4 | -166 | -66.3 | -18.6 | 0 | 0 | 0 | 115.2 | ||||
| 235 | I | 20.8 | Very low | 23.8 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -67.1 | 139.4 | 161 | -62.7 | 164.5 | 0 | 0 | 0 | 108.8 | L237 | I235-L237 HydrophobicContact CG2-CD1 4.41Å; I235-L237 HydrophobicContact CG2-CG 4.35Å | ||
| 236 | N | 24.6 | Very low | 23.6 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -142.8 | 138 | 153.2 | -101.7 | -27.3 | 0 | 0 | 0 | 109.1 | ||||
| 237 | L | 23.2 | Very low | 23.4 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | -118.9 | 163.1 | -173.7 | -88.2 | 163 | 0 | 0 | 0 | 110.6 | I235 | I235-L237 HydrophobicContact CG2-CD1 4.41Å; I235-L237 HydrophobicContact CG2-CG 4.35Å | ||
| 238 | L | 22.6 | Very low | 23.2 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | 71.6 | 155.9 | 172.3 | -54.3 | 134.1 | 0 | 0 | 0 | 113.2 | ||||
| 239 | S | 22.2 | Very low | 23.3 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | cis | -151.8 | 170 | 24.3 | 63.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 240 | S | 23.1 | Very low | 23.7 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | 58 | 106.2 | 142.7 | 61.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 241 | A | 29.5 | Very low | 23.6 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 117.9 | 135.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 242 | E | 21.5 | Very low | 23.5 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -103.2 | 168.7 | -176.6 | -59.9 | -163.5 | 137.9 | 0 | 0 | 114 | ||||
| 243 | N | 22.3 | Very low | 23.6 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | trans | 64.4 | 103.4 | 149.6 | -62.1 | -43.2 | 0 | 0 | 0 | 119.3 | ||||
| 244 | K | 28.1 | Very low | 23.5 | Very low | 213 Ų | 213 | 148 Ų | 148 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | -155.7 | 160 | 99.5 | -102.3 | 153.3 | -174.3 | 176.4 | 0 | 111.9 | |||||
| 245 | K | 22.4 | Very low | 24.5 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -89.8 | 159 | -175 | -70.8 | 179.3 | -179.4 | 173.5 | 0 | 111.7 | ||||
| 246 | C | 18.5 | Very low | 24.8 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -70.5 | 143.7 | 176.1 | -45.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 247 | E | 22.5 | Very low | 24.7 | Very low | 196 Ų | 196 | 144.3 Ų | 144.3 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -119.1 | 166.9 | 141.1 | -68.9 | -168.6 | 145.7 | 0 | 0 | 108.2 | ||||
| 248 | Q | 21.6 | Very low | 24.7 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -104.5 | 155.4 | -162 | -66.9 | 177 | -41.5 | 0 | 0 | 113.3 | ||||
| 249 | S | 25.3 | Very low | 24.7 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -5.6 | 140.1 | 155.7 | 55.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 250 | P | 31.8 | Very low | 25 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | -157.2 | 177.4 | 65.7 | 45.1 | -26 | 0 | 0 | 0 | 120.2 | |||||
| 251 | Y | 22.1 | Very low | 25 | Very low | 221 Ų | 221 | 147 Ų | 147 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | 71.3 | 137.8 | 157.7 | -71.7 | -63.8 | 0 | 0 | 0 | 122.8 | ||||
| 252 | L | 21.2 | Very low | 24.7 | Very low | 168 Ų | 168 | 150.4 Ų | 150.4 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 139.6 | 165.5 | -75.3 | 64.7 | 0 | 0 | 0 | 109.8 | ||||
| 253 | T | 25.5 | Very low | 24.9 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -94.8 | 151.8 | 161.5 | 49 | 0 | 0 | 0 | 0 | 111 | ||||
| 254 | G | 22.6 | Very low | 25 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | -74.6 | -176.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 255 | P | 42.8 | Very low | 24.7 | Very low | 132 Ų | 132 | 154.5 Ų | 154.5 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -85.2 | 154.9 | -168.6 | 34.7 | -36.6 | 0 | 0 | 0 | 114.1 | ||||
| 256 | N | 26.7 | Very low | 24.8 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -112 | 112 | 177.3 | -83.7 | -11.4 | 0 | 0 | 0 | 113.1 | ||||
| 257 | T | 23.9 | Very low | 25.1 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | 65.5 | 140 | 129 | 62 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 258 | L | 22.9 | Very low | 25.2 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 65 | 113 | 167.2 | -84 | 64.2 | 0 | 0 | 0 | 115 | ||||
| 259 | E | 21.4 | Very low | 25.3 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 65.3 | 100.5 | 56.2 | -58.4 | -176.1 | 128.9 | 0 | 0 | 113.4 | |||||
| 260 | D | 28.9 | Very low | 25.2 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | -144.3 | 137.8 | 124 | -139.6 | -25.4 | 0 | 0 | 0 | 108.9 | |||||
| 261 | V | 22.5 | Very low | 24.9 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 58% | 0.576 | 78% | 0.779 | S | S | * | * | trans | -137 | 136.2 | -149.6 | 170.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 262 | H | 23.6 | Very low | 24.9 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 53.9 | 117.9 | 166.1 | -67.9 | -31.8 | 0 | 0 | 0 | 119 | ||||
| 263 | K | 26.8 | Very low | 25.2 | Very low | 194 Ų | 194 | 148.2 Ų | 148.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -130.4 | 105.5 | 140.9 | -81.2 | -164.4 | 175.9 | 174.1 | 0 | 113.9 | ||||
| 264 | H | 24.6 | Very low | 25 | Very low | 180 Ų | 180 | 150 Ų | 150 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | 76.9 | 160.5 | 153 | -68.2 | -81.6 | 0 | 0 | 0 | 121.3 | ||||
| 265 | R | 21.7 | Very low | 24.8 | Very low | 218 Ų | 218 | 155 Ų | 155 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | -155 | 148.6 | -151 | -114.5 | -178.3 | 174.1 | 177.5 | 0 | 108.4 | ||||
| 266 | K | 22.9 | Very low | 23.8 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | 55.3 | 132.2 | 149.4 | -64.1 | -172.6 | 172.1 | -165.5 | 0 | 120.3 | ||||
| 267 | N | 26.4 | Very low | 23.9 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | -161.1 | 146.4 | 101.1 | -79.6 | -23.9 | 0 | 0 | 0 | 106.3 | |||||
| 268 | I | 23 | Very low | 23.8 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | 55.2 | 112.6 | 63.1 | -47.8 | 175.1 | 0 | 0 | 0 | 108.9 | |||||
| 269 | V | 24.4 | Very low | 23.9 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | -145.6 | 159.6 | 68.9 | 163.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 270 | T | 22.6 | Very low | 24.1 | Very low | 127 Ų | 127 | 152.7 Ų | 152.7 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -96.9 | 135.3 | 164.6 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 271 | D | 26.4 | Very low | 23.7 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -138 | 133 | 163.7 | -80.6 | -57.6 | 0 | 0 | 0 | 109.8 | ||||
| 272 | D | 21.8 | Very low | 23.7 | Very low | 156 Ų | 156 | 156 Ų | 156 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -88.8 | 135.7 | 176 | -62.8 | -63.1 | 0 | 0 | 0 | 110.3 | ||||
| 273 | H | 28 | Very low | 23.8 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -145.1 | 111.7 | 163.9 | -96.6 | -65.5 | 0 | 0 | 0 | 111.8 | ||||
| 274 | E | 20.5 | Very low | 23.6 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -86.1 | 165 | 167.3 | -60.8 | -174 | 122.9 | 0 | 0 | 111.9 | ||||
| 275 | M | 19 | Very low | 23.5 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 84% | 0.837 | 81% | 0.806 | S | S | * | * | trans | 77.6 | 149.7 | 148.3 | -78.5 | -84.9 | -80.2 | 0 | 0 | 120.6 | ||||
| 276 | S | 22.6 | Very low | 23.4 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 67.7 | 133.4 | -176 | 72.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 277 | S | 27.6 | Very low | 23.4 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | cis | -147.2 | 156.7 | -1.1 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 278 | A | 21.5 | Very low | 23.1 | Very low | 73 Ų | 73 | 148.1 Ų | 148.1 | 60% | 0.603 | 82% | 0.819 | S | S | * | * | trans | -70.3 | 169.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 279 | D | 25.8 | Very low | 22.9 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | cis | -140.2 | -149.6 | 28.1 | -78.3 | -70.5 | 0 | 0 | 0 | 111.9 | ||||
| 280 | E | 25.5 | Very low | 22.9 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | 73.8 | 33.5 | 172 | -55.7 | -163.5 | 164.4 | 0 | 0 | 118 | ||||
| 281 | L | 21.5 | Very low | 22.7 | Very low | 171 Ų | 171 | 153 Ų | 153 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | trans | -106 | 66.4 | 155.7 | -115.2 | 173.5 | 0 | 0 | 0 | 110.7 | ||||
| 282 | N | 22.5 | Very low | 22.6 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | trans | -161.7 | 65.9 | -179.2 | -112.9 | -28.6 | 0 | 0 | 0 | 116.1 | ||||
| 283 | S | 24.4 | Very low | 22.5 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 79% | 0.79 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -167.5 | 66.6 | 160.3 | 58.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 284 | E | 22.2 | Very low | 22.3 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -164.8 | 41.5 | 154.7 | -119.4 | 166.9 | -139.9 | 0 | 0 | 114.9 | ||
| 285 | I | 22.2 | Very low | 22.2 | Very low | 173 Ų | 173 | 146 Ų | 146 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -135.4 | 88.9 | 168.8 | -53.1 | 179.6 | 0 | 0 | 0 | 110.2 | ||||
| 286 | S | 21.5 | Very low | 22.3 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -158.8 | 17.1 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 287 | V | 22.5 | Very low | 22.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -122 | 57.8 | 179.5 | -162.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 288 | L | 20.6 | Very low | 21.8 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | trans | -150.7 | 62 | 164.5 | -96.6 | -175.5 | 0 | 0 | 0 | 111.5 | ||||
| 289 | K | 18.5 | Very low | 21.8 | Very low | 210 Ų | 210 | 149.6 Ų | 149.6 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -151.5 | 94.4 | 164.5 | -81.6 | -156.5 | 177.2 | -174.9 | 0 | 112.6 | ||||
| 290 | S | 23 | Very low | 21.6 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -156.6 | 109.3 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 291 | D | 20.1 | Very low | 21.5 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -72.6 | 154 | -177.9 | -60.4 | -65.6 | 0 | 0 | 0 | 112.5 | ||||
| 292 | N | 22.9 | Very low | 21.6 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | 57.5 | 93.6 | 155.4 | -57.4 | -26.2 | 0 | 0 | 0 | 118.8 | ||||
| 293 | A | 21.2 | Very low | 21.7 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -140.4 | 119.5 | 145 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 294 | H | 21.9 | Very low | 21.7 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 58% | 0.583 | 82% | 0.822 | S | S | * | * | trans | -81.3 | -179.8 | 158.9 | -80.7 | -100.3 | 0 | 0 | 0 | 109.6 | H1513 | H294-H1513 AromaticContact CD2-CD2 3.44Å; H294-H1513 PolarHBondContact CD2-CD2 2.84Å; H294-H1513 VanDerWaalsContact CD2-CD2 3.44Å; H294-H1513 AromaticContact CD2-NE2 3.5Å; H294-H1513 AromaticContact CE1-CD2 3.63Å; H294-H1513 AromaticContact CE1-CE1 3.98Å; H294-H1513 AromaticContact CE1-CG 3.48Å; H294-H1513 VanDerWaalsContact CE1-CG 3.48Å; H294-H1513 AromaticContact CE1-ND1 3.72Å; H294-H1513 AromaticContact CE1-NE2 3.97Å; H294-H1513 AromaticContact CG-CD2 3.98Å; H294-H1513 AromaticContact CG-CE1 3.92Å; H294-H1513 AromaticContact CG-NE2 3.65Å; H294-H1513 AromaticContact ND1-CE1 3.81Å; H294-H1513 AromaticContact ND1-ND1 3.91Å; H294-H1513 AromaticContact ND1-NE2 3.93Å; H294-H1513 AromaticContact NE2-CD2 3.21Å; H294-H1513 PolarHBondContact NE2-CD2 2.62Å; H294-H1513 AromaticContact NE2-CG 3.49Å; H294-H1513 AromaticContact NE2-NE2 3.73Å | ||
| 295 | V | 20.1 | Very low | 21.9 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | 107.3 | 136.6 | 162.4 | -175 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 296 | L | 19.4 | Very low | 21.9 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -46.7 | 153.4 | -169.6 | -70 | 71.9 | 0 | 0 | 0 | 117.5 | T298 | L296-T298 PolarHBondContact O-N 3.17Š| ||
| 297 | C | 20.6 | Very low | 22 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -0.4 | 106 | 139.4 | -52.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 298 | T | 20.3 | Very low | 22.3 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -160.2 | 133.5 | 131.2 | 2.9 | 0 | 0 | 0 | 0 | 114.3 | L296 | L296-T298 PolarHBondContact O-N 3.17Š| ||
| 299 | N | 21.3 | Very low | 22.7 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -21.7 | 129.2 | 169.2 | -54.4 | -22.1 | 0 | 0 | 0 | 119.2 | ||||
| 300 | T | 21.5 | Very low | 23.4 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | 177.5 | 153.7 | 120.3 | 24 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 301 | S | 22.4 | Very low | 24.5 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | cis | -158.7 | 149.1 | -1.8 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 302 | N | 23.5 | Very low | 26.1 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 48 | 95.3 | 141.1 | -53.4 | -4.2 | 0 | 0 | 0 | 119.6 | ||||
| 303 | Q | 24.8 | Very low | 27.8 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | trans | -125.5 | 137.1 | 131.5 | -74.6 | -163.3 | -5.3 | 0 | 0 | 109.6 | I305 | Q303-I305 PolarHBondContact O-N 2.65Š| ||
| 304 | T | 25.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | trans | -87 | 96.1 | -170.6 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 305 | I | 25.8 | Very low | 30.7 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -120.6 | 133.5 | 158.9 | -62.7 | 179.4 | 0 | 0 | 0 | 106.5 | Q303 N307 | Q303-I305 PolarHBondContact O-N 2.65Å; I305-N307 PolarHBondContact O-N 2.78Å | ||
| 306 | E | 22.7 | Very low | 31.9 | Very low | 190 Ų | 190 | 117 Ų | 117 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -74.1 | 111.6 | -161 | -64.8 | 173.7 | 130.6 | 0 | 0 | 112.2 | N308 | E306-N308 PolarHBondContact O-N 2.89Š| ||
| 307 | N | 24.6 | Very low | 33.2 | Very low | 151 Ų | 151 | 113.4 Ų | 113.4 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -54.6 | 121.4 | 171.2 | -66.8 | -34.9 | 0 | 0 | 0 | 110.7 | I305 | I305-N307 PolarHBondContact O-N 2.78Š| ||
| 308 | N | 27.1 | Very low | 34.1 | Very low | 151 Ų | 151 | 113 Ų | 113 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | trans | -162.9 | 8.9 | 155.8 | -102.2 | -40.6 | 0 | 0 | 0 | 115.7 | E306 | E306-N308 PolarHBondContact O-N 2.89Š| ||
| 309 | A | 29.9 | Very low | 35.2 | Very low | 99 Ų | 99 | 111.9 Ų | 111.9 | 82% | 0.818 | 62% | 0.617 | S | S | * | * | trans | -109 | 98.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | D311 | A309-D311 PolarHBondContact O-N 3.32Š| ||
| 310 | N | 32 | Very low | 35.8 | Very low | 71 Ų | 71 | 107.5 Ų | 107.5 | 38% | 0.38 | 60% | 0.602 | S | S | . | * | trans | -74.2 | 123.7 | -177.9 | -49.6 | -68 | 0 | 0 | 0 | 110 | ||||
| 311 | D | 46.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -69.9 | 141.2 | 172.3 | -110.8 | -54.1 | 0 | 0 | 0 | 111.1 | A309 R1203 | A309-D311 PolarHBondContact O-N 3.32Å; D311-R1203 IonicContact OD1-CZ 2.69Å; D311-R1203 IonicContact OD1-NH1 3.81Å; D311-R1203 PolarHBondContact OD1-NH1 3.14Å; D311-R1203 IonicContact OD1-NH2 3.19Å; D311-R1203 PolarHBondContact OD1-NH2 2.89Å | ||
| 312 | I | 53.6 | Low | 37.2 | Very low | 48 Ų | 48 | 103.4 Ų | 103.4 | 25% | 0.246 | 58% | 0.578 | C | S | . | * | trans | -137.3 | 126 | -174.1 | -60 | 170.6 | 0 | 0 | 0 | 109.4 | T1158 F1266 | I312-T1158 HydrophobicContact CD1-CG2 4.32Å; I312-F1266 HydrophobicContact CG2-CB 4.4Å; I312-F1266 HydrophobicContact CG2-CD1 3.58Å; I312-F1266 HydrophobicContact CG2-CE1 4.32Å; I312-F1266 HydrophobicContact CG2-CG 4.44Å | ||
| 313 | S | 58.4 | Low | 37.9 | Very low | 51 Ų | 51 | 101.6 Ų | 101.6 | 36% | 0.357 | 58% | 0.575 | S | S | . | * | trans | -109.2 | 174.8 | 174.6 | 31.4 | 0 | 0 | 0 | 0 | 112.2 | F1266 D1267 | S313-F1266 WeakPolarHBondContact O-CA 3.32Å; S313-D1267 WeakPolarHBondContact CB-OD2 3.26Å; S313-D1267 WeakPolarHBondContact OG-CB 3.36Å; S313-D1267 PolarHBondContact OG-OD2 3.39Å | ||
| 314 | L | 50.4 | Low | 38.8 | Very low | 16 Ų | 16 | 94.3 Ų | 94.3 | 8% | 0.084 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 113.3 | 177.2 | -82 | 178.1 | 0 | 0 | 0 | 111.6 | I1171 F1205 C1224 W1264 K1265 F1266 | L314-I1171 HydrophobicContact CD1-CD1 3.76Å; L314-F1205 HydrophobicContact CB-CD1 4.23Å; L314-F1205 HydrophobicContact CB-CE1 4Å; L314-F1205 HydrophobicContact CD1-CD1 4.49Å; L314-C1224 HydrophobicContact CD2-CB 4.37Å; L314-W1264 HydrophobicContact CB-CE3 4.38Å; L314-W1264 HydrophobicContact CD2-CB 3.9Å; L314-K1265 CarbonylContact C-O 3.6Å; L314-K1265 VanDerWaalsContact CA-O 3.28Å; L314-K1265 WeakPolarHBondContact CA-O 3.47Å; L314-F1266 HydrophobicContact CD1-CE1 4.4Å; L314-F1266 HydrophobicContact CD2-CD1 3.36Å; L314-F1266 HydrophobicContact CD2-CD2 4.23Å; L314-F1266 HydrophobicContact CD2-CE1 3.54Å; L314-F1266 HydrophobicContact CD2-CE2 4.37Å; L314-F1266 HydrophobicContact CD2-CG 3.75Å; L314-F1266 HydrophobicContact CD2-CZ 4.06Å; L314-F1266 HydrophobicContact CG-CD1 4.01Å; L314-F1266 HydrophobicContact CG-CE1 4.09Å |
| 315 | D | 54.9 | Low | 40.1 | Very low | 76 Ų | 76 | 93.2 Ų | 93.2 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 145.2 | 177.4 | -67 | -22.7 | 0 | 0 | 0 | 112.5 | W1264 K1265 | D315-W1264 CarbonylContact O-C 3.47Å; D315-W1264 WeakPolarHBondContact O-CA 3.44Å; D315-K1265 HydrophobicContact CB-CB 4.32Å; D315-K1265 PolarHBondContact N-O 3.32Å; D315-K1265 PolarHBondContact O-N 3.2Å; D315-K1265 IonicContact OD2-NZ 3.08Å; D315-K1265 PolarHBondContact OD2-NZ 3.33Å |
| 316 | L | 45 | Very low | 41.5 | Very low | 90 Ų | 90 | 86.5 Ų | 86.5 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 143.6 | 179.3 | -176.1 | 70.5 | 0 | 0 | 0 | 112.8 | F1262 W1264 | L316-F1262 HydrophobicContact CD1-CB 4.15Å; L316-F1262 HydrophobicContact CD1-CD1 4.17Å; L316-W1264 HydrophobicContact CB-CE3 4.2Å; L316-W1264 HydrophobicContact CB-CZ3 4.25Å; L316-W1264 HydrophobicContact CD1-CD2 4.21Å; L316-W1264 HydrophobicContact CD1-CE3 4.38Å; L316-W1264 HydrophobicContact CD1-CZ2 4.37Å |
| 317 | V | 45.5 | Very low | 43.3 | Very low | 69 Ų | 69 | 80.2 Ų | 80.2 | 42% | 0.418 | 47% | 0.466 | S | S | . | . | trans | -121.5 | -33.2 | -165.8 | -172.5 | 0 | 0 | 0 | 0 | 118.5 | L867 M1263 K1265 | V317-L867 HydrophobicContact CB-CD2 4.42Å; V317-L867 HydrophobicContact CG1-CB 4.21Å; V317-L867 HydrophobicContact CG1-CD2 3.9Å; V317-M1263 PolarHBondContact N-O 3.01Å; V317-M1263 VanDerWaalsContact N-O 3.12Å; V317-K1265 HydrophobicContact CG2-CB 4.28Å | ||
| 318 | Y | 40.9 | Very low | 45.4 | Very low | 114 Ų | 114 | 73.9 Ų | 73.9 | 45% | 0.447 | 43% | 0.434 | S | S | . | . | trans | -159.3 | 137.7 | -164.6 | 178.1 | -110.8 | 0 | 0 | 0 | 117.5 | ||||
| 319 | V | 42.4 | Very low | 47.9 | Very low | 113 Ų | 113 | 67.2 Ų | 67.2 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | trans | -159.5 | 164.5 | -180 | -156.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 320 | A | 34.3 | Very low | 50.2 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | trans | -159.2 | 162.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | S800 | A320-S800 WeakPolarHBondContact CB-OG 3.47Š| ||
| 321 | S | 36.4 | Very low | 52.1 | Low | 92 Ų | 92 | 60.2 Ų | 60.2 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | trans | -163.4 | 170.7 | -176.9 | 70 | 0 | 0 | 0 | 0 | 118.3 | S800 | S321-S800 CarbonylContact C-O 2.96Å; S321-S800 WeakPolarHBondContact CA-O 3.29Å | ||
| 322 | C | 36 | Very low | 53.3 | Low | 52 Ų | 52 | 55.7 Ų | 55.7 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | trans | -166.6 | -177.2 | 168.2 | -112.2 | 0 | 0 | 0 | 0 | 115 | L799 S800 W801 | C322-L799 HydrophobicContact CB-CB 4.49Å; C322-L799 HydrophobicContact CB-CD1 4.48Å; C322-S800 PolarHBondContact N-O 3.27Å; C322-W801 HydrophobicContact CB-CD2 4.34Å; C322-W801 HydrophobicContact CB-CZ2 4.28Å; C322-W801 VanDerWaalsContact CB-NE1 3.32Å | ||
| 323 | P | 39.7 | Very low | 53.7 | Low | 110 Ų | 110 | 57.6 Ų | 57.6 | 71% | 0.714 | 33% | 0.331 | S | S | * | . | trans | -122.9 | -28 | -160.4 | 43.1 | -35.5 | 0 | 0 | 0 | 123.3 | W801 | P323-W801 WeakPolarHBondContact O-CH2 3.35Š| ||
| 324 | S | 43.7 | Very low | 53.8 | Low | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -118.8 | 155 | -170.1 | 57.6 | 0 | 0 | 0 | 0 | 119.1 | C342 W801 | S324-C342 VanDerWaalsContact CB-SG 3.57Å; S324-C342 PolarHBondContact OG-SG 3.46Å; S324-W801 VanDerWaalsContact O-CH2 3.22Å; S324-W801 WeakPolarHBondContact O-CH2 3.2Å; S324-W801 WeakPolarHBondContact O-CZ2 3.15Å | ||
| 325 | Y | 51.7 | Low | 54.1 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | trans | -81.3 | 140.7 | 173.3 | -178.1 | -78.4 | 0 | 0 | 0 | 112.4 | T327 S730 C757 | Y325-T327 HydrophobicContact CD1-CG2 4.1Å; Y325-T327 HydrophobicContact CE1-CG2 3.98Å; Y325-S730 WeakPolarHBondContact OH-CB 3.38Å; Y325-C757 VanDerWaalsContact CE2-CA 3.48Å; Y325-C757 HydrophobicContact CE2-CB 3.82Å; Y325-C757 PolarHBondContact OH-SG 2.92Å | ||
| 326 | C | 55 | Low | 54.2 | Low | 12 Ų | 12 | 61.9 Ų | 61.9 | 8% | 0.081 | 35% | 0.35 | C | S | . | . | trans | -114.1 | 123.3 | -177.5 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | S328 S730 A755 | C326-S328 PolarHBondContact SG-O 3.36Å; C326-S730 VanDerWaalsContact O-CB 3.27Å; C326-S730 WeakPolarHBondContact O-CB 3.24Å; C326-S730 PolarHBondContact O-OG 3.33Å; C326-A755 HydrophobicContact CB-CB 3.95Å | ||
| 327 | T | 61.8 | Low | 55.5 | Low | 58 Ų | 58 | 57.7 Ų | 57.7 | 36% | 0.356 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -92.2 | -29.9 | -172.3 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | Y325 P341 V366 | Y325-T327 HydrophobicContact CD1-CG2 4.1Å; Y325-T327 HydrophobicContact CE1-CG2 3.98Å; T327-P341 VanDerWaalsContact OG1-CG 3.22Å; T327-P341 WeakPolarHBondContact OG1-CG 3.17Å; T327-V366 PolarHBondContact OG1-O 2.7Å |
| 328 | S | 69.1 | Low | 57 | Low | 18 Ų | 18 | 54.4 Ų | 54.4 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | trans | -155.8 | 159.7 | -176.6 | 52.1 | 0 | 0 | 0 | 0 | 108 | C326 P341 I369 | C326-S328 PolarHBondContact SG-O 3.36Å; S328-P341 WeakPolarHBondContact O-CD 2.98Å; S328-I369 PolarHBondContact OG-N 2.87Å | ||
| 329 | L | 77.8 | Confident | 58.9 | Low | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | trans | -156.4 | 149.4 | -173.8 | -170.7 | 146.9 | 0 | 0 | 0 | 110.1 | I338 I339 F340 A731 D733 S753 A755 L761 | L329-I338 HydrophobicContact CD1-CG2 4.09Å; L329-I338 HydrophobicContact CD2-CG2 4Å; L329-I338 HydrophobicContact CG-CG2 4.08Å; L329-I339 WeakPolarHBondContact CA-O 3.16Å; L329-F340 HydrophobicContact CD1-CB 3.99Å; L329-F340 HydrophobicContact CG-CB 4.15Å; L329-A731 HydrophobicContact CB-CB 3.77Å; L329-D733 HydrophobicContact CD2-CB 4.47Å; L329-D733 WeakPolarHBondContact O-CB 3.47Å; L329-S753 VanDerWaalsContact CD2-CB 3.43Å; L329-S753 WeakPolarHBondContact CD2-OG 3.43Å; L329-A755 HydrophobicContact CD1-CB 3.99Å; L329-L761 HydrophobicContact CD1-CD1 3.54Å | ||
| 330 | I | 78 | Confident | 60.8 | Low | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.7 | 177.8 | -53.9 | -179.2 | 0 | 0 | 0 | 110.5 | I339 I369 C370 H371 D733 | I330-I339 HydrophobicContact CB-CB 4.27Å; I330-I339 PolarHBondContact N-O 2.88Å; I330-I339 PolarHBondContact O-N 2.75Å; I330-I369 HydrophobicContact CD1-CB 3.95Å; I330-I369 HydrophobicContact CD1-CG2 3.5Å; I330-I369 VanDerWaalsContact CD1-CG2 3.5Å; I330-I369 HydrophobicContact CG1-CG2 4.39Å; I330-C370 VanDerWaalsContact CD1-CA 3.48Å; I330-H371 HydrophobicContact CD1-CB 3.83Å; I330-H371 HydrophobicContact CG2-CB 3.85Å; I330-D733 VanDerWaalsContact CA-OD2 3.25Å; I330-D733 WeakPolarHBondContact CA-OD2 3.3Å |
| 331 | I | 73 | Confident | 62.7 | Low | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.1 | 161.1 | -42.6 | -179.1 | 0 | 0 | 0 | 108.7 | Q333 D733 S753 | I331-Q333 PolarHBondContact O-N 3.47Å; I331-D733 PolarHBondContact N-OD2 3.4Å; I331-S753 WeakPolarHBondContact CD1-OG 3.13Å; I331-S753 WeakPolarHBondContact CG1-OG 3.48Å |
| 332 | A | 71.2 | Confident | 64.2 | Low | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | trans | -63.3 | 138.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N334 R335 A337 M401 | A332-N334 PolarHBondContact O-N 3.17Å; A332-R335 WeakPolarHBondContact O-CA 3.46Å; A332-R335 PolarHBondContact O-N 2.83Å; A332-A337 HydrophobicContact CB-CB 4.06Å; A332-A337 PolarHBondContact N-O 3.14Å; A332-M401 HydrophobicContact CB-CE 3.69Å; A332-M401 HydrophobicContact CB-SD 4.34Å | ||
| 333 | Q | 61.6 | Low | 66.1 | Low | 89 Ų | 89 | 39.3 Ų | 39.3 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -32.7 | 176.8 | -69.6 | 170 | -32.8 | 0 | 0 | 113 | I331 R335 P373 | I331-Q333 PolarHBondContact O-N 3.47Å; Q333-R335 PolarHBondContact O-N 3.38Å; Q333-P373 PolarHBondContact NE2-O 3.34Å; Q333-P373 PolarHBondContact OE1-O 2.78Å |
| 334 | N | 60.7 | Low | 67.9 | Low | 129 Ų | 129 | 35.3 Ų | 35.3 | 69% | 0.69 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -1.1 | 178.1 | -62.8 | 20.8 | 0 | 0 | 0 | 114.4 | A332 C336 | A332-N334 PolarHBondContact O-N 3.17Å; N334-C336 PolarHBondContact O-N 2.87Å |
| 335 | R | 57.8 | Low | 69.6 | Low | 45 Ų | 45 | 39 Ų | 39 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 62.3 | -19.2 | 175.7 | -64.8 | 173.5 | 161 | -159.3 | -14.7 | 118.8 | A332 Q333 A337 S735 S737 Q749 Y751 | A332-R335 WeakPolarHBondContact O-CA 3.46Å; A332-R335 PolarHBondContact O-N 2.83Å; Q333-R335 PolarHBondContact O-N 3.38Å; R335-A337 PolarHBondContact O-N 2.8Å; R335-S735 PolarHBondContact NH2-O 3.4Å; R335-S737 VanDerWaalsContact NE-CB 3.34Å; R335-S737 VanDerWaalsContact NH1-CB 3.34Å; R335-Q749 VanDerWaalsContact NH1-OE1 3.13Å; R335-Q749 PolarHBondContact NH2-O 3.03Å; R335-Y751 HydrophobicContact CG-CD2 4.42Å; R335-Y751 VanDerWaalsContact CZ-CD2 3.4Å |
| 336 | C | 57.8 | Low | 71 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -54.9 | -39.7 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | N334 E350 V351 | N334-C336 PolarHBondContact O-N 2.87Å; C336-E350 HydrophobicContact CB-CG 4.36Å; C336-E350 CarbonylContact O-C 3Å; C336-E350 WeakPolarHBondContact O-CA 3.42Å; C336-E350 WeakPolarHBondContact O-CG 3.49Å; C336-V351 PolarHBondContact O-N 2.89Å |
| 337 | A | 70.5 | Confident | 72.3 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A332 R335 V348 M349 M401 L404 | A332-A337 HydrophobicContact CB-CB 4.06Å; A332-A337 PolarHBondContact N-O 3.14Å; R335-A337 PolarHBondContact O-N 2.8Å; A337-V348 HydrophobicContact CB-CG1 3.75Å; A337-M349 CarbonylContact C-O 3.57Å; A337-M349 VanDerWaalsContact CA-O 3.29Å; A337-M349 WeakPolarHBondContact CA-O 3.46Å; A337-M401 HydrophobicContact CB-CE 3.53Å; A337-L404 HydrophobicContact CB-CD1 3.71Å |
| 338 | I | 78.1 | Confident | 73.2 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137 | 158.4 | -66.9 | 168.7 | 0 | 0 | 0 | 108.4 | L329 F340 V348 M349 V351 C763 I798 | L329-I338 HydrophobicContact CD1-CG2 4.09Å; L329-I338 HydrophobicContact CD2-CG2 4Å; L329-I338 HydrophobicContact CG-CG2 4.08Å; I338-F340 HydrophobicContact CG2-CD1 4.21Å; I338-V348 CarbonylContact O-C 3Å; I338-V348 WeakPolarHBondContact O-CA 3.14Å; I338-M349 PolarHBondContact N-O 2.78Å; I338-M349 PolarHBondContact O-N 3Å; I338-V351 HydrophobicContact CD1-CG2 3.66Å; I338-V351 HydrophobicContact CG1-CG2 3.63Å; I338-C763 HydrophobicContact CD1-CB 4.32Å; I338-I798 HydrophobicContact CD1-CD1 3.73Å |
| 339 | I | 80.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119 | -177.5 | -50 | 173.4 | 0 | 0 | 0 | 108.2 | L329 I330 I346 I347 V348 I369 I378 M401 | L329-I339 WeakPolarHBondContact CA-O 3.16Å; I330-I339 HydrophobicContact CB-CB 4.27Å; I330-I339 PolarHBondContact N-O 2.88Å; I330-I339 PolarHBondContact O-N 2.75Å; I339-I346 HydrophobicContact CG2-CG2 3.44Å; I339-I346 VanDerWaalsContact CG2-CG2 3.44Å; I339-I347 CarbonylContact C-O 3.49Å; I339-I347 VanDerWaalsContact CA-O 3.3Å; I339-I347 WeakPolarHBondContact CA-O 3.38Å; I339-V348 HydrophobicContact CG1-CG1 4.33Å; I339-V348 HydrophobicContact CG1-CG2 4.29Å; I339-V348 HydrophobicContact CG2-CG2 4.25Å; I339-I369 HydrophobicContact CG2-CD1 4.47Å; I339-I378 HydrophobicContact CD1-CD1 3.88Å; I339-I378 HydrophobicContact CD1-CG1 4.05Å; I339-M401 HydrophobicContact CD1-CE 4.17Å; I339-M401 HydrophobicContact CD1-SD 3.76Å |
| 340 | F | 81.3 | Confident | 73.2 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.7 | -178.2 | 66.6 | -81 | 0 | 0 | 0 | 112.1 | L329 I338 I347 M349 L761 | L329-F340 HydrophobicContact CD1-CB 3.99Å; L329-F340 HydrophobicContact CG-CB 4.15Å; I338-F340 HydrophobicContact CG2-CD1 4.21Å; F340-I347 HydrophobicContact CD1-CB 4.2Å; F340-I347 HydrophobicContact CD2-CB 4.49Å; F340-I347 HydrophobicContact CE1-CB 3.81Å; F340-I347 HydrophobicContact CE1-CG2 3.76Å; F340-I347 HydrophobicContact CE2-CB 4.13Å; F340-I347 HydrophobicContact CE2-CD1 3.87Å; F340-I347 HydrophobicContact CE2-CG1 4.36Å; F340-I347 HydrophobicContact CZ-CB 3.78Å; F340-I347 HydrophobicContact CZ-CD1 3.92Å; F340-I347 HydrophobicContact CZ-CG1 4.35Å; F340-I347 HydrophobicContact CZ-CG2 3.79Å; F340-I347 PolarHBondContact N-O 2.8Å; F340-I347 PolarHBondContact O-N 3.07Å; F340-M349 HydrophobicContact CE1-CB 3.98Å; F340-M349 HydrophobicContact CE1-CE 4.1Å; F340-M349 HydrophobicContact CE1-SD 4.41Å; F340-L761 HydrophobicContact CE1-CD2 4.37Å; F340-L761 HydrophobicContact CZ-CD2 4.46Å |
| 341 | P | 75.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 144.6 | 176.9 | 33.2 | -30.5 | 0 | 0 | 0 | 111.6 | T327 S328 Y345 V366 I369 | T327-P341 VanDerWaalsContact OG1-CG 3.22Å; T327-P341 WeakPolarHBondContact OG1-CG 3.17Å; S328-P341 WeakPolarHBondContact O-CD 2.98Å; P341-Y345 CarbonylContact C-O 3.51Å; P341-Y345 VanDerWaalsContact CA-O 3.25Å; P341-Y345 WeakPolarHBondContact CA-O 3.28Å; P341-V366 HydrophobicContact CB-CB 3.76Å; P341-V366 HydrophobicContact CB-CG1 4.23Å; P341-V366 HydrophobicContact CB-CG2 4.42Å; P341-I369 HydrophobicContact CB-CD1 4.16Å; P341-I369 HydrophobicContact CG-CD1 4.17Å |
| 342 | C | 68.5 | Low | 71.3 | Confident | 30 Ų | 30 | 35.1 Ų | 35.1 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 97.9 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | S324 A344 Y345 I347 | S324-C342 VanDerWaalsContact CB-SG 3.57Å; S324-C342 PolarHBondContact OG-SG 3.46Å; C342-A344 PolarHBondContact O-N 3.5Å; C342-A344 VanDerWaalsContact O-N 3.15Å; C342-Y345 PolarHBondContact N-O 2.89Å; C342-Y345 PolarHBondContact O-N 2.84Å; C342-I347 HydrophobicContact CB-CD1 3.62Å; C342-I347 HydrophobicContact CB-CG1 4.05Å |
| 343 | A | 74.1 | Confident | 70.9 | Confident | 56 Ų | 56 | 37 Ų | 37 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | -114.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E365 V366 | A343-E365 WeakPolarHBondContact O-CA 3.48Å; A343-V366 PolarHBondContact O-N 2.82Å |
| 344 | A | 77.8 | Confident | 70.9 | Confident | 27 Ų | 27 | 37 Ų | 37 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | C342 A364 V366 | C342-A344 PolarHBondContact O-N 3.5Å; C342-A344 VanDerWaalsContact O-N 3.15Å; A344-A364 WeakPolarHBondContact CA-O 3.36Å; A344-A364 WeakPolarHBondContact CB-O 3.4Å; A344-V366 WeakPolarHBondContact O-CG2 3.28Å |
| 345 | Y | 79.2 | Confident | 70.9 | Confident | 114 Ų | 114 | 39.1 Ų | 39.1 | 45% | 0.447 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 152.9 | -179.9 | -60.7 | -84.6 | 0 | 0 | 0 | 111.3 | P341 C342 E360 | P341-Y345 CarbonylContact C-O 3.51Å; P341-Y345 VanDerWaalsContact CA-O 3.25Å; P341-Y345 WeakPolarHBondContact CA-O 3.28Å; C342-Y345 PolarHBondContact N-O 2.89Å; C342-Y345 PolarHBondContact O-N 2.84Å; Y345-E360 HydrophobicContact CD1-CG 4.12Å; Y345-E360 HydrophobicContact CE1-CG 4.13Å |
| 346 | I | 82.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117 | 166.1 | -59.1 | 170.4 | 0 | 0 | 0 | 108.2 | I339 F358 L359 V366 I369 S380 | I339-I346 HydrophobicContact CG2-CG2 3.44Å; I339-I346 VanDerWaalsContact CG2-CG2 3.44Å; I346-F358 CarbonylContact O-C 2.92Å; I346-F358 WeakPolarHBondContact O-CA 3.1Å; I346-L359 HydrophobicContact CB-CB 4.12Å; I346-L359 HydrophobicContact CB-CD1 4.21Å; I346-L359 HydrophobicContact CB-CG 4.28Å; I346-L359 HydrophobicContact CG2-CD1 3.99Å; I346-L359 HydrophobicContact CG2-CG 4.43Å; I346-L359 PolarHBondContact N-O 3.39Å; I346-L359 PolarHBondContact O-N 2.81Å; I346-V366 HydrophobicContact CD1-CG1 4.1Å; I346-V366 HydrophobicContact CD1-CG2 4.36Å; I346-V366 HydrophobicContact CG1-CG1 4.25Å; I346-V366 HydrophobicContact CG1-CG2 3.99Å; I346-I369 HydrophobicContact CB-CD1 4.47Å; I346-I369 HydrophobicContact CD1-CD1 4.02Å; I346-I369 HydrophobicContact CD1-CG1 4.31Å; I346-I369 HydrophobicContact CG1-CD1 3.95Å; I346-I369 HydrophobicContact CG2-CD1 3.77Å; I346-S380 WeakPolarHBondContact CD1-OG 3.29Å |
| 347 | I | 80.3 | Confident | 72.7 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.1 | -179 | -52.1 | -174.5 | 0 | 0 | 0 | 108.8 | I339 F340 C342 M349 Q356 C357 F358 | I339-I347 CarbonylContact C-O 3.49Å; I339-I347 VanDerWaalsContact CA-O 3.3Å; I339-I347 WeakPolarHBondContact CA-O 3.38Å; F340-I347 HydrophobicContact CD1-CB 4.2Å; F340-I347 HydrophobicContact CD2-CB 4.49Å; F340-I347 HydrophobicContact CE1-CB 3.81Å; F340-I347 HydrophobicContact CE1-CG2 3.76Å; F340-I347 HydrophobicContact CE2-CB 4.13Å; F340-I347 HydrophobicContact CE2-CD1 3.87Å; F340-I347 HydrophobicContact CE2-CG1 4.36Å; F340-I347 HydrophobicContact CZ-CB 3.78Å; F340-I347 HydrophobicContact CZ-CD1 3.92Å; F340-I347 HydrophobicContact CZ-CG1 4.35Å; F340-I347 HydrophobicContact CZ-CG2 3.79Å; F340-I347 PolarHBondContact N-O 2.8Å; F340-I347 PolarHBondContact O-N 3.07Å; C342-I347 HydrophobicContact CB-CD1 3.62Å; C342-I347 HydrophobicContact CB-CG1 4.05Å; I347-M349 HydrophobicContact CG2-CB 4.44Å; I347-Q356 HydrophobicContact CG2-CB 3.97Å; I347-Q356 HydrophobicContact CG2-CG 4.01Å; I347-C357 CarbonylContact C-O 3.46Å; I347-C357 WeakPolarHBondContact CA-O 3.17Å; I347-F358 HydrophobicContact CD1-CD1 4.38Å; I347-F358 HydrophobicContact CD1-CE1 3.81Å; I347-F358 HydrophobicContact CG1-CD1 3.85Å; I347-F358 HydrophobicContact CG1-CE1 3.76Å; I347-F358 HydrophobicContact CG2-CE1 4.37Å |
| 348 | V | 81.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 102.8 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | A337 I338 I339 C357 L359 M401 P402 L404 | A337-V348 HydrophobicContact CB-CG1 3.75Å; I338-V348 CarbonylContact O-C 3Å; I338-V348 WeakPolarHBondContact O-CA 3.14Å; I339-V348 HydrophobicContact CG1-CG1 4.33Å; I339-V348 HydrophobicContact CG1-CG2 4.29Å; I339-V348 HydrophobicContact CG2-CG2 4.25Å; V348-C357 HydrophobicContact CB-CB 4.42Å; V348-C357 PolarHBondContact N-O 2.99Å; V348-C357 PolarHBondContact O-N 3.18Å; V348-L359 HydrophobicContact CG2-CD1 4.1Å; V348-L359 HydrophobicContact CG2-CD2 4.28Å; V348-L359 HydrophobicContact CG2-CG 4.12Å; V348-M401 HydrophobicContact CG1-CE 3.66Å; V348-P402 HydrophobicContact CB-CG 4.1Å; V348-P402 HydrophobicContact CG1-CG 3.91Å; V348-P402 HydrophobicContact CG2-CG 4.02Å; V348-L404 HydrophobicContact CG1-CD1 4.25Å; V348-L404 HydrophobicContact CG1-CD2 4.45Å |
| 349 | M | 73.3 | Confident | 73.5 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130 | -173.1 | 178.7 | 176.6 | 65.5 | 0 | 0 | 111.7 | A337 I338 F340 I347 R355 Q356 L761 I798 | A337-M349 CarbonylContact C-O 3.57Å; A337-M349 VanDerWaalsContact CA-O 3.29Å; A337-M349 WeakPolarHBondContact CA-O 3.46Å; I338-M349 PolarHBondContact N-O 2.78Å; I338-M349 PolarHBondContact O-N 3Å; F340-M349 HydrophobicContact CE1-CB 3.98Å; F340-M349 HydrophobicContact CE1-CE 4.1Å; F340-M349 HydrophobicContact CE1-SD 4.41Å; I347-M349 HydrophobicContact CG2-CB 4.44Å; M349-R355 CarbonylContact C-O 3.35Å; M349-R355 VanDerWaalsContact CA-O 3.31Å; M349-R355 WeakPolarHBondContact CA-O 3.28Å; M349-Q356 HydrophobicContact CB-CG 4Å; M349-Q356 HydrophobicContact CG-CG 3.84Å; M349-Q356 HydrophobicContact SD-CG 4.33Å; M349-L761 HydrophobicContact CE-CD2 3.74Å; M349-I798 HydrophobicContact CE-CG2 3.9Å; M349-I798 HydrophobicContact SD-CG2 4.5Å |
| 350 | E | 73.9 | Confident | 73.6 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.5 | 175.1 | -166.7 | 168.1 | -141.7 | 0 | 0 | 111.8 | C336 G352 S353 S354 R355 L404 | C336-E350 HydrophobicContact CB-CG 4.36Å; C336-E350 CarbonylContact O-C 3Å; C336-E350 WeakPolarHBondContact O-CA 3.42Å; C336-E350 WeakPolarHBondContact O-CG 3.49Å; E350-G352 VanDerWaalsContact C-N 3.29Å; E350-G352 PolarHBondContact O-N 3.31Å; E350-S353 WeakPolarHBondContact CB-OG 3.22Å; E350-S353 WeakPolarHBondContact OE2-CB 3.39Å; E350-S353 PolarHBondContact OE2-OG 3.21Å; E350-S354 WeakPolarHBondContact O-CA 3.2Å; E350-S354 PolarHBondContact O-N 2.9Å; E350-R355 PolarHBondContact N-O 2.87Å; E350-L404 HydrophobicContact CB-CD1 4.07Å; E350-L404 HydrophobicContact CG-CD1 4.5Å |
| 351 | V | 58.2 | Low | 73.4 | Confident | 46 Ų | 46 | 45 Ų | 45 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.6 | -175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | C336 I338 I798 | C336-V351 PolarHBondContact O-N 2.89Å; I338-V351 HydrophobicContact CD1-CG2 3.66Å; I338-V351 HydrophobicContact CG1-CG2 3.63Å; V351-I798 HydrophobicContact CG1-CD1 4.18Å |
| 352 | G | 53.2 | Low | 73.7 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -31.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | E350 | E350-G352 VanDerWaalsContact C-N 3.29Å; E350-G352 PolarHBondContact O-N 3.31Å |
| 353 | S | 62.1 | Low | 74.1 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -1.7 | -173.9 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | E350 R355 | E350-S353 WeakPolarHBondContact CB-OG 3.22Å; E350-S353 WeakPolarHBondContact OE2-CB 3.39Å; E350-S353 PolarHBondContact OE2-OG 3.21Å; S353-R355 PolarHBondContact O-N 3.35Å; S353-R355 WeakPolarHBondContact OG-CB 3.32Å; S353-R355 WeakPolarHBondContact OG-CG 3.38Å; S353-R355 PolarHBondContact OG-N 3.03Å |
| 354 | S | 61.8 | Low | 74.1 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | trans | 53 | 7.7 | -171.2 | 64.7 | 0 | 0 | 0 | 0 | 116.8 | E350 | E350-S354 WeakPolarHBondContact O-CA 3.2Å; E350-S354 PolarHBondContact O-N 2.9Å | ||
| 355 | R | 60.7 | Low | 74 | Confident | 174 Ų | 174 | 53.5 Ų | 53.5 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | trans | -65.9 | 147.8 | 177.3 | -67.8 | 177 | 175.7 | -168.2 | -3.1 | 112.1 | M349 E350 S353 | M349-R355 CarbonylContact C-O 3.35Å; M349-R355 VanDerWaalsContact CA-O 3.31Å; M349-R355 WeakPolarHBondContact CA-O 3.28Å; E350-R355 PolarHBondContact N-O 2.87Å; S353-R355 PolarHBondContact O-N 3.35Å; S353-R355 WeakPolarHBondContact OG-CB 3.32Å; S353-R355 WeakPolarHBondContact OG-CG 3.38Å; S353-R355 PolarHBondContact OG-N 3.03Å | ||
| 356 | Q | 76.7 | Confident | 74 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.9 | -173.8 | -63.9 | -177.9 | 6.1 | 0 | 0 | 112.2 | I347 M349 F358 | I347-Q356 HydrophobicContact CG2-CB 3.97Å; I347-Q356 HydrophobicContact CG2-CG 4.01Å; M349-Q356 HydrophobicContact CB-CG 4Å; M349-Q356 HydrophobicContact CG-CG 3.84Å; M349-Q356 HydrophobicContact SD-CG 4.33Å; Q356-F358 HydrophobicContact CB-CE2 4.25Å; Q356-F358 HydrophobicContact CB-CZ 4.17Å |
| 357 | C | 76.5 | Confident | 73.9 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148 | 174.3 | 172 | 0 | 0 | 0 | 0 | 108.9 | I347 V348 L404 H410 | I347-C357 CarbonylContact C-O 3.46Å; I347-C357 WeakPolarHBondContact CA-O 3.17Å; V348-C357 HydrophobicContact CB-CB 4.42Å; V348-C357 PolarHBondContact N-O 2.99Å; V348-C357 PolarHBondContact O-N 3.18Å; C357-L404 HydrophobicContact CB-CD2 3.89Å; C357-H410 PolarHBondContact SG-O 2.87Å |
| 358 | F | 83.5 | Confident | 74 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.1 | -169 | -57.2 | -95.1 | 0 | 0 | 0 | 111 | I346 I347 Q356 H410 T411 H412 | I346-F358 CarbonylContact O-C 2.92Å; I346-F358 WeakPolarHBondContact O-CA 3.1Å; I347-F358 HydrophobicContact CD1-CD1 4.38Å; I347-F358 HydrophobicContact CD1-CE1 3.81Å; I347-F358 HydrophobicContact CG1-CD1 3.85Å; I347-F358 HydrophobicContact CG1-CE1 3.76Å; I347-F358 HydrophobicContact CG2-CE1 4.37Å; Q356-F358 HydrophobicContact CB-CE2 4.25Å; Q356-F358 HydrophobicContact CB-CZ 4.17Å; F358-H410 PolarHBondContact N-O 3.33Å; F358-T411 HydrophobicContact CB-CG2 4.29Å; F358-T411 CarbonylContact O-C 3.59Å; F358-T411 VanDerWaalsContact O-CA 3.27Å; F358-T411 WeakPolarHBondContact O-CA 3.29Å; F358-H412 PolarHBondContact O-N 3.5Å |
| 359 | L | 82.1 | Confident | 74.3 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.7 | 173.4 | -40.4 | 176.5 | 0 | 0 | 0 | 109.2 | I346 V348 I378 W399 P402 H412 | I346-L359 HydrophobicContact CB-CB 4.12Å; I346-L359 HydrophobicContact CB-CD1 4.21Å; I346-L359 HydrophobicContact CB-CG 4.28Å; I346-L359 HydrophobicContact CG2-CD1 3.99Å; I346-L359 HydrophobicContact CG2-CG 4.43Å; I346-L359 PolarHBondContact N-O 3.39Å; I346-L359 PolarHBondContact O-N 2.81Å; V348-L359 HydrophobicContact CG2-CD1 4.1Å; V348-L359 HydrophobicContact CG2-CD2 4.28Å; V348-L359 HydrophobicContact CG2-CG 4.12Å; L359-I378 HydrophobicContact CD1-CD1 3.57Å; L359-W399 HydrophobicContact CB-CD2 4.23Å; L359-W399 HydrophobicContact CB-CE3 3.72Å; L359-W399 HydrophobicContact CB-CH2 4.4Å; L359-W399 HydrophobicContact CB-CZ3 3.8Å; L359-W399 HydrophobicContact CD1-CB 4.36Å; L359-W399 HydrophobicContact CD1-CD2 4.4Å; L359-W399 HydrophobicContact CD1-CG 4.32Å; L359-P402 HydrophobicContact CD2-CG 4.36Å; L359-H412 WeakPolarHBondContact CA-O 3.4Å; L359-H412 HydrophobicContact CD2-CB 3.86Å |
| 360 | E | 81.8 | Confident | 74.9 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | trans | -123.5 | 130.9 | -167.6 | -63.4 | -176.3 | 149 | 0 | 0 | 112.1 | Y345 W399 T411 H412 | Y345-E360 HydrophobicContact CD1-CG 4.12Å; Y345-E360 HydrophobicContact CE1-CG 4.13Å; E360-W399 VanDerWaalsContact C-CH2 3.47Å; E360-W399 WeakPolarHBondContact O-CH2 3.17Å; E360-W399 VanDerWaalsContact O-CZ3 3.24Å; E360-W399 WeakPolarHBondContact O-CZ3 3.04Å; E360-T411 HydrophobicContact CG-CG2 4.22Å; E360-T411 WeakPolarHBondContact OE1-CG2 3.11Å; E360-H412 PolarHBondContact N-O 3.05Å | ||
| 361 | G | 77.6 | Confident | 75.5 | Confident | 37 Ų | 37 | 51 Ų | 51 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | trans | 157.1 | -21.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H397 | G361-H397 PolarHBondContact O-NE2 2.44Š| ||
| 362 | H | 82.4 | Confident | 76.4 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | trans | -69.3 | 141.6 | 164.2 | -72.1 | -65.6 | 0 | 0 | 0 | 109.8 | V366 S380 Q382 H397 W399 | H362-V366 HydrophobicContact CB-CG2 4.16Å; H362-S380 PolarHBondContact CE1-O 3.45Å; H362-S380 VanDerWaalsContact CE1-O 3.24Å; H362-S380 WeakPolarHBondContact NE2-CB 3.31Å; H362-S380 PolarHBondContact NE2-O 3.38Å; H362-S380 PolarHBondContact NE2-OG 2.97Å; H362-Q382 WeakPolarHBondContact ND1-CB 3.21Å; H362-H397 AromaticContact CE1-CD2 3.46Å; H362-H397 PolarHBondContact CE1-CD2 2.93Å; H362-H397 VanDerWaalsContact CE1-CD2 3.46Å; H362-H397 AromaticContact CG-CD2 3.89Å; H362-H397 AromaticContact ND1-CD2 3.42Å; H362-H397 PolarHBondContact ND1-CD2 3.38Å; H362-H397 AromaticContact NE2-CD2 3.91Å; H362-W399 AromaticContact CD2-CZ2 3.78Å; H362-W399 AromaticContact NE2-CZ2 3.85Å | ||
| 363 | T | 76.7 | Confident | 77.1 | Confident | 122 Ų | 122 | 48.1 Ų | 48.1 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -102.5 | 5.2 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | Q382 | T363-Q382 PolarHBondContact OG1-NE2 3.23Å; T363-Q382 PolarHBondContact OG1-OE1 2.71Å |
| 364 | A | 74.2 | Confident | 77.3 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -156.2 | -176.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | A344 V366 Q382 T385 | A344-A364 WeakPolarHBondContact CA-O 3.36Å; A344-A364 WeakPolarHBondContact CB-O 3.4Å; A364-V366 PolarHBondContact O-N 3.48Å; A364-Q382 HydrophobicContact CB-CG 4.09Å; A364-T385 HydrophobicContact CB-CG2 3.53Å |
| 365 | E | 75.5 | Confident | 77.7 | Confident | 139 Ų | 139 | 44.9 Ų | 44.9 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | trans | -52.8 | 130.9 | -177.4 | -62.9 | -171.9 | 152.9 | 0 | 0 | 113.4 | A343 S367 | A343-E365 WeakPolarHBondContact O-CA 3.48Å; E365-S367 PolarHBondContact O-N 3.05Å; E365-S367 VanDerWaalsContact O-N 3.1Å | ||
| 366 | V | 79.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 105 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 109 | T327 P341 A343 A344 I346 H362 A364 G368 I369 | T327-V366 PolarHBondContact OG1-O 2.7Å; P341-V366 HydrophobicContact CB-CB 3.76Å; P341-V366 HydrophobicContact CB-CG1 4.23Å; P341-V366 HydrophobicContact CB-CG2 4.42Å; A343-V366 PolarHBondContact O-N 2.82Å; A344-V366 WeakPolarHBondContact O-CG2 3.28Å; I346-V366 HydrophobicContact CD1-CG1 4.1Å; I346-V366 HydrophobicContact CD1-CG2 4.36Å; I346-V366 HydrophobicContact CG1-CG1 4.25Å; I346-V366 HydrophobicContact CG1-CG2 3.99Å; H362-V366 HydrophobicContact CB-CG2 4.16Å; A364-V366 PolarHBondContact O-N 3.48Å; V366-G368 VanDerWaalsContact C-N 3.31Å; V366-G368 PolarHBondContact O-N 3.28Å; V366-I369 HydrophobicContact CG1-CD1 4.37Å; V366-I369 HydrophobicContact CG1-CG1 3.81Å |
| 367 | S | 80.5 | Confident | 78.8 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -0.5 | -172.7 | 60 | 0 | 0 | 0 | 0 | 113.9 | E365 C381 S383 L426 | E365-S367 PolarHBondContact O-N 3.05Å; E365-S367 VanDerWaalsContact O-N 3.1Å; S367-C381 PolarHBondContact N-O 3.01Å; S367-C381 PolarHBondContact OG-O 2.81Å; S367-S383 WeakPolarHBondContact CB-OG 3.4Å; S367-S383 PolarHBondContact OG-N 3.16Å; S367-S383 PolarHBondContact OG-OG 2.89Å; S367-L426 VanDerWaalsContact CB-O 3.23Å; S367-L426 WeakPolarHBondContact CB-O 3.49Å; S367-L426 PolarHBondContact OG-O 3.12Å |
| 368 | G | 82.2 | Confident | 79.4 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | 148 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V366 S380 C381 | V366-G368 VanDerWaalsContact C-N 3.31Å; V366-G368 PolarHBondContact O-N 3.28Å; G368-S380 CarbonylContact O-C 3.57Å; G368-S380 VanDerWaalsContact O-CA 3.24Å; G368-S380 WeakPolarHBondContact O-CA 3.49Å; G368-S380 WeakPolarHBondContact O-CB 3.35Å; G368-C381 PolarHBondContact O-N 2.89Å; G368-C381 PolarHBondContact O-SG 3Å |
| 369 | I | 88.8 | Confident | 79.6 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146 | 176.1 | -47 | 179 | 0 | 0 | 0 | 108.2 | S328 I330 I339 P341 I346 V366 I378 A379 | S328-I369 PolarHBondContact OG-N 2.87Å; I330-I369 HydrophobicContact CD1-CB 3.95Å; I330-I369 HydrophobicContact CD1-CG2 3.5Å; I330-I369 VanDerWaalsContact CD1-CG2 3.5Å; I330-I369 HydrophobicContact CG1-CG2 4.39Å; I339-I369 HydrophobicContact CG2-CD1 4.47Å; P341-I369 HydrophobicContact CB-CD1 4.16Å; P341-I369 HydrophobicContact CG-CD1 4.17Å; I346-I369 HydrophobicContact CB-CD1 4.47Å; I346-I369 HydrophobicContact CD1-CD1 4.02Å; I346-I369 HydrophobicContact CD1-CG1 4.31Å; I346-I369 HydrophobicContact CG1-CD1 3.95Å; I346-I369 HydrophobicContact CG2-CD1 3.77Å; V366-I369 HydrophobicContact CG1-CD1 4.37Å; V366-I369 HydrophobicContact CG1-CG1 3.81Å; I369-I378 HydrophobicContact CG2-CG2 3.52Å; I369-A379 CarbonylContact C-O 3.58Å; I369-A379 WeakPolarHBondContact CA-O 3.18Å; I369-A379 VanDerWaalsContact CG2-O 3.27Å; I369-A379 WeakPolarHBondContact CG2-O 3.49Å |
| 370 | C | 86.3 | Confident | 80.1 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 10% | 0.095 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 167.2 | 160.3 | 74.6 | 0 | 0 | 0 | 0 | 110.1 | I330 A379 L429 | I330-C370 VanDerWaalsContact CD1-CA 3.48Å; C370-A379 PolarHBondContact N-O 3.15Å; C370-A379 PolarHBondContact O-N 2.97Å; C370-L429 HydrophobicContact CB-CB 4.04Å; C370-L429 VanDerWaalsContact SG-CB 3.57Å |
| 371 | H | 84.9 | Confident | 80.4 | Confident | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.7 | -177.1 | 173.8 | -104.5 | 0 | 0 | 0 | 110.7 | I330 G375 I377 | I330-H371 HydrophobicContact CD1-CB 3.83Å; I330-H371 HydrophobicContact CG2-CB 3.85Å; H371-G375 VanDerWaalsContact CE1-CA 3.47Å; H371-G375 WeakPolarHBondContact CE1-CA 3.33Å; H371-G375 PolarHBondContact NE2-O 2.79Å; H371-I377 PolarHBondContact CD2-O 2.93Å |
| 372 | G | 77.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -83.4 | 142.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G374 G375 I377 | G372-G374 PolarHBondContact O-N 2.93Å; G372-G375 PolarHBondContact O-N 3.29Å; G372-I377 PolarHBondContact N-O 3.32Å | ||
| 373 | P | 67.2 | Low | 80.7 | Confident | 60 Ų | 60 | 34.1 Ų | 34.1 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.5 | -163.8 | 26 | -35 | 0 | 0 | 0 | 115.2 | Q333 D433 | Q333-P373 PolarHBondContact NE2-O 3.34Å; Q333-P373 PolarHBondContact OE1-O 2.78Å; P373-D433 WeakPolarHBondContact CB-O 3.29Å; P373-D433 VanDerWaalsContact CG-O 3.26Å; P373-D433 WeakPolarHBondContact CG-O 3.44Å |
| 374 | G | 67.2 | Low | 80.4 | Confident | 52 Ų | 52 | 29 Ų | 29 | 54% | 0.536 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 35.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G372 Q376 | G372-G374 PolarHBondContact O-N 2.93Å; G374-Q376 WeakPolarHBondContact O-CG 3.34Å; G374-Q376 PolarHBondContact O-N 3.1Å |
| 375 | G | 70.5 | Confident | 79.8 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 79.2 | -38.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | H371 G372 I377 M401 | H371-G375 VanDerWaalsContact CE1-CA 3.47Å; H371-G375 WeakPolarHBondContact CE1-CA 3.33Å; H371-G375 PolarHBondContact NE2-O 2.79Å; G372-G375 PolarHBondContact O-N 3.29Å; G375-I377 PolarHBondContact O-N 2.86Å; G375-M401 WeakPolarHBondContact O-CB 3.37Å |
| 376 | Q | 76.8 | Confident | 78.7 | Confident | 139 Ų | 139 | 33.1 Ų | 33.1 | 65% | 0.65 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -81.1 | -18 | -159.9 | -66.4 | 168.1 | 33 | 0 | 0 | 115.7 | G374 R400 M401 | G374-Q376 WeakPolarHBondContact O-CG 3.34Å; G374-Q376 PolarHBondContact O-N 3.1Å; Q376-R400 WeakPolarHBondContact O-CA 3.46Å; Q376-M401 PolarHBondContact O-N 3.11Å |
| 377 | I | 84.1 | Confident | 77.1 | Confident | 41 Ų | 41 | 34.9 Ų | 34.9 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.4 | -169.2 | -65.9 | 172.5 | 0 | 0 | 0 | 109.7 | H371 G372 G375 V398 W399 L415 M431 L459 | H371-I377 PolarHBondContact CD2-O 2.93Å; G372-I377 PolarHBondContact N-O 3.32Å; G375-I377 PolarHBondContact O-N 2.86Å; I377-V398 HydrophobicContact CG2-CG1 3.47Å; I377-V398 VanDerWaalsContact CG2-CG1 3.47Å; I377-W399 VanDerWaalsContact CA-O 3.29Å; I377-W399 WeakPolarHBondContact CA-O 3.43Å; I377-L415 HydrophobicContact CG1-CD1 4.49Å; I377-M431 HydrophobicContact CG2-CE 4.34Å; I377-M431 HydrophobicContact CG2-SD 4.36Å; I377-L459 HydrophobicContact CD1-CD2 3.86Å |
| 378 | I | 88.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.2 | 167 | -51.5 | 157.2 | 0 | 0 | 0 | 106.8 | I339 L359 I369 V398 W399 M401 | I339-I378 HydrophobicContact CD1-CD1 3.88Å; I339-I378 HydrophobicContact CD1-CG1 4.05Å; L359-I378 HydrophobicContact CD1-CD1 3.57Å; I369-I378 HydrophobicContact CG2-CG2 3.52Å; I378-V398 CarbonylContact O-C 3.37Å; I378-V398 WeakPolarHBondContact O-CA 3.35Å; I378-W399 HydrophobicContact CB-CB 4.21Å; I378-W399 PolarHBondContact N-O 3.19Å; I378-W399 PolarHBondContact O-N 3.13Å; I378-M401 HydrophobicContact CD1-SD 3.87Å; I378-M401 HydrophobicContact CG1-SD 4.25Å |
| 379 | A | 88.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I369 C370 H397 V398 L429 L438 | I369-A379 CarbonylContact C-O 3.58Å; I369-A379 WeakPolarHBondContact CA-O 3.18Å; I369-A379 VanDerWaalsContact CG2-O 3.27Å; I369-A379 WeakPolarHBondContact CG2-O 3.49Å; C370-A379 PolarHBondContact N-O 3.15Å; C370-A379 PolarHBondContact O-N 2.97Å; A379-H397 CarbonylContact C-O 3.6Å; A379-H397 WeakPolarHBondContact CA-O 3.28Å; A379-H397 WeakPolarHBondContact CB-O 3.37Å; A379-V398 HydrophobicContact CB-CG2 4.07Å; A379-L429 HydrophobicContact CB-CD1 4.3Å; A379-L438 HydrophobicContact CB-CD1 3.95Å; A379-L438 HydrophobicContact CB-CD2 3.85Å |
| 380 | S | 92 | Very high | 72.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 151.4 | -179.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | I346 H362 G368 V396 H397 W399 | I346-S380 WeakPolarHBondContact CD1-OG 3.29Å; H362-S380 PolarHBondContact CE1-O 3.45Å; H362-S380 VanDerWaalsContact CE1-O 3.24Å; H362-S380 WeakPolarHBondContact NE2-CB 3.31Å; H362-S380 PolarHBondContact NE2-O 3.38Å; H362-S380 PolarHBondContact NE2-OG 2.97Å; G368-S380 CarbonylContact O-C 3.57Å; G368-S380 VanDerWaalsContact O-CA 3.24Å; G368-S380 WeakPolarHBondContact O-CA 3.49Å; G368-S380 WeakPolarHBondContact O-CB 3.35Å; S380-V396 CarbonylContact O-C 3.2Å; S380-V396 WeakPolarHBondContact O-CA 3.25Å; S380-H397 PolarHBondContact N-O 3.46Å; S380-H397 PolarHBondContact O-N 3.15Å; S380-W399 PolarHBondContact OG-NE1 2.95Å |
| 381 | C | 88.9 | Confident | 70.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151 | -174.9 | 63.8 | 0 | 0 | 0 | 0 | 112.1 | S367 G368 V395 V396 L426 L429 | S367-C381 PolarHBondContact N-O 3.01Å; S367-C381 PolarHBondContact OG-O 2.81Å; G368-C381 PolarHBondContact O-N 2.89Å; G368-C381 PolarHBondContact O-SG 3Å; C381-V395 VanDerWaalsContact CA-O 3.27Å; C381-V395 WeakPolarHBondContact CA-O 3.45Å; C381-V396 HydrophobicContact CB-CG2 4.25Å; C381-L426 HydrophobicContact CB-CB 4.01Å; C381-L426 HydrophobicContact CB-CD1 3.89Å; C381-L429 HydrophobicContact CB-CD1 3.7Å; C381-L429 HydrophobicContact CB-CD2 4.35Å; C381-L429 HydrophobicContact CB-CG 3.86Å |
| 382 | Q | 86.9 | Confident | 69.8 | Low | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.7 | 173.6 | 163.6 | -177.9 | -8.6 | 0 | 0 | 107.5 | H362 T363 A364 V395 | H362-Q382 WeakPolarHBondContact ND1-CB 3.21Å; T363-Q382 PolarHBondContact OG1-NE2 3.23Å; T363-Q382 PolarHBondContact OG1-OE1 2.71Å; A364-Q382 HydrophobicContact CB-CG 4.09Å; Q382-V395 HydrophobicContact CB-CB 4.42Å; Q382-V395 PolarHBondContact N-O 2.9Å; Q382-V395 PolarHBondContact O-N 2.77Å; Q382-V395 VanDerWaalsContact O-N 3.15Å |
| 383 | S | 78.5 | Confident | 69.8 | Low | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 148.5 | 166.1 | -72.3 | 0 | 0 | 0 | 0 | 109.8 | S367 T385 S425 L426 | S367-S383 WeakPolarHBondContact CB-OG 3.4Å; S367-S383 PolarHBondContact OG-N 3.16Å; S367-S383 PolarHBondContact OG-OG 2.89Å; S383-T385 PolarHBondContact O-N 2.56Å; S383-S425 WeakPolarHBondContact OG-CA 3.25Å; S383-S425 PolarHBondContact OG-OG 2.86Å; S383-L426 PolarHBondContact OG-N 3.11Å; S383-L426 PolarHBondContact OG-O 3.13Å |
| 384 | S | 69.8 | Low | 70.5 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 125.8 | 171.9 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | C392 I393 A423 Q424 | S384-C392 WeakPolarHBondContact OG-CB 3.42Å; S384-I393 WeakPolarHBondContact CB-O 3.15Å; S384-A423 WeakPolarHBondContact CB-O 3.32Å; S384-A423 PolarHBondContact OG-O 3.03Å; S384-A423 VanDerWaalsContact OG-O 3.07Å; S384-Q424 PolarHBondContact OG-O 3.49Å |
| 385 | T | 62.7 | Low | 71.5 | Confident | 86 Ų | 86 | 42.6 Ų | 42.6 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 145.3 | 156.8 | 40 | 0 | 0 | 0 | 0 | 108.5 | A364 S383 S387 | A364-T385 HydrophobicContact CB-CG2 3.53Å; S383-T385 PolarHBondContact O-N 2.56Å; T385-S387 PolarHBondContact O-N 3.07Å |
| 386 | L | 51.8 | Low | 72.3 | Confident | 158 Ų | 158 | 42.1 Ų | 42.1 | 83% | 0.827 | 24% | 0.235 | S | C | * | . | trans | -67.5 | 103.1 | 176.1 | -109.1 | 75.3 | 0 | 0 | 0 | 108.3 | ||||
| 387 | S | 46.6 | Very low | 73 | Confident | 37 Ų | 37 | 36.2 Ų | 36.2 | 26% | 0.259 | 21% | 0.207 | S | C | . | . | trans | -104.3 | 143.2 | -176.7 | 115.2 | 0 | 0 | 0 | 0 | 108.5 | T385 N389 Q1870 | T385-S387 PolarHBondContact O-N 3.07Å; S387-N389 VanDerWaalsContact C-N 3.28Å; S387-N389 CarbonylContact O-C 3.31Å; S387-N389 PolarHBondContact O-N 3.35Å; S387-N389 VanDerWaalsContact O-O 3.1Å; S387-N389 PolarHBondContact OG-O 3.22Å; S387-N389 VanDerWaalsContact OG-O 3.09Å; S387-Q1870 PolarHBondContact OG-OE1 3.33Å | ||
| 388 | S | 48.6 | Very low | 73.3 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 49% | 0.49 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -66.3 | -31.6 | -171.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | N390 M1869 Q1870 | S388-N390 PolarHBondContact O-N 2.68Å; S388-M1869 PolarHBondContact OG-O 3.42Å; S388-Q1870 VanDerWaalsContact OG-CD 3.26Å; S388-Q1870 WeakPolarHBondContact OG-CG 3.3Å; S388-Q1870 PolarHBondContact OG-OE1 3.28Å |
| 389 | N | 46.7 | Very low | 73.3 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -66.4 | 123.5 | 159.6 | -78.7 | -33.3 | 0 | 0 | 0 | 110.1 | S387 L391 S1867 K1868 M1869 Q1870 | S387-N389 VanDerWaalsContact C-N 3.28Å; S387-N389 CarbonylContact O-C 3.31Å; S387-N389 PolarHBondContact O-N 3.35Å; S387-N389 VanDerWaalsContact O-O 3.1Å; S387-N389 PolarHBondContact OG-O 3.22Å; S387-N389 VanDerWaalsContact OG-O 3.09Å; N389-L391 PolarHBondContact O-N 2.76Å; N389-S1867 WeakPolarHBondContact OD1-CA 3.37Å; N389-K1868 VanDerWaalsContact ND2-C 3.29Å; N389-K1868 PolarHBondContact OD1-N 2.82Å; N389-M1869 VanDerWaalsContact ND2-C 3.26Å; N389-M1869 PolarHBondContact ND2-N 3.03Å; N389-M1869 VanDerWaalsContact ND2-N 3.18Å; N389-M1869 PolarHBondContact ND2-O 3.01Å; N389-M1869 PolarHBondContact OD1-N 3.33Å; N389-Q1870 PolarHBondContact ND2-N 3.02Å |
| 390 | N | 53.7 | Low | 73.1 | Confident | 116 Ų | 116 | 42.1 Ų | 42.1 | 62% | 0.62 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -61.4 | 9.7 | 175.8 | -73.2 | -80.8 | 0 | 0 | 0 | 115.5 | S388 C392 | S388-N390 PolarHBondContact O-N 2.68Å; N390-C392 VanDerWaalsContact C-N 3.28Å; N390-C392 PolarHBondContact O-N 3.1Å; N390-C392 VanDerWaalsContact O-N 3.14Å |
| 391 | L | 51.3 | Low | 72.5 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 41% | 0.414 | 23% | 0.234 | S | C | . | . | trans | -87.1 | 57.5 | -178.7 | -158.8 | 80.1 | 0 | 0 | 0 | 111.1 | N389 I393 | N389-L391 PolarHBondContact O-N 2.76Å; L391-I393 HydrophobicContact CD2-CD1 4.25Å; L391-I393 PolarHBondContact O-N 3.15Å | ||
| 392 | C | 68.2 | Low | 71.8 | Confident | 15 Ų | 15 | 44 Ų | 44 | 10% | 0.101 | 24% | 0.236 | C | C | . | . | trans | -56.1 | 110.8 | 178.6 | -54 | 0 | 0 | 0 | 0 | 110.7 | S384 N390 Q421 N422 A423 V445 | S384-C392 WeakPolarHBondContact OG-CB 3.42Å; N390-C392 VanDerWaalsContact C-N 3.28Å; N390-C392 PolarHBondContact O-N 3.1Å; N390-C392 VanDerWaalsContact O-N 3.14Å; C392-Q421 CarbonylContact O-C 3.41Å; C392-N422 CarbonylContact O-C 3.23Å; C392-N422 VanDerWaalsContact O-CA 3.25Å; C392-N422 WeakPolarHBondContact O-CA 3.08Å; C392-N422 PolarHBondContact O-N 2.66Å; C392-A423 WeakPolarHBondContact CB-O 3.24Å; C392-A423 PolarHBondContact O-N 3.5Å; C392-V445 HydrophobicContact CB-CG2 3.87Å | ||
| 393 | I | 77.6 | Confident | 71 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | trans | -102.8 | 123.1 | 176.7 | -66.7 | 165.8 | 0 | 0 | 0 | 109.3 | S384 L391 V395 R419 V420 Q421 | S384-I393 WeakPolarHBondContact CB-O 3.15Å; L391-I393 HydrophobicContact CD2-CD1 4.25Å; L391-I393 PolarHBondContact O-N 3.15Å; I393-V395 HydrophobicContact CG2-CG2 4.04Å; I393-R419 HydrophobicContact CG2-CB 3.97Å; I393-R419 HydrophobicContact CG2-CG 4.42Å; I393-V420 WeakPolarHBondContact CA-O 3.28Å; I393-Q421 HydrophobicContact CG1-CG 4.34Å | ||
| 394 | G | 82 | Confident | 70.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V420 | G394-V420 PolarHBondContact N-O 3.19Å; G394-V420 WeakPolarHBondContact O-CG1 3.11Å; G394-V420 PolarHBondContact O-N 3.37Å |
| 395 | V | 87.7 | Confident | 69.3 | Low | 20 Ų | 20 | 54.9 Ų | 54.9 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.3 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | C381 Q382 I393 | C381-V395 VanDerWaalsContact CA-O 3.27Å; C381-V395 WeakPolarHBondContact CA-O 3.45Å; Q382-V395 HydrophobicContact CB-CB 4.42Å; Q382-V395 PolarHBondContact N-O 2.9Å; Q382-V395 PolarHBondContact O-N 2.77Å; Q382-V395 VanDerWaalsContact O-N 3.15Å; I393-V395 HydrophobicContact CG2-CG2 4.04Å |
| 396 | V | 89.1 | Confident | 68.6 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.8 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 108 | S380 C381 T417 G418 L426 L429 L438 A440 | S380-V396 CarbonylContact O-C 3.2Å; S380-V396 WeakPolarHBondContact O-CA 3.25Å; C381-V396 HydrophobicContact CB-CG2 4.25Å; V396-T417 CarbonylContact O-C 3.58Å; V396-T417 VanDerWaalsContact O-CA 3.29Å; V396-T417 WeakPolarHBondContact O-CA 3.31Å; V396-G418 PolarHBondContact N-O 2.77Å; V396-G418 PolarHBondContact O-N 2.88Å; V396-L426 HydrophobicContact CG2-CD1 3.8Å; V396-L429 HydrophobicContact CG1-CD1 4.07Å; V396-L429 HydrophobicContact CG1-CD2 3.71Å; V396-L429 HydrophobicContact CG2-CD2 3.97Å; V396-L438 HydrophobicContact CG1-CD2 3.46Å; V396-L438 VanDerWaalsContact CG1-CD2 3.46Å; V396-L438 HydrophobicContact CG1-CG 4.34Å; V396-A440 HydrophobicContact CG2-CB 4.21Å |
| 397 | H | 91.4 | Very high | 68.2 | Low | 16 Ų | 16 | 57.9 Ų | 57.9 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 149 | 174.6 | -74 | -42.9 | 0 | 0 | 0 | 110.8 | G361 H362 A379 S380 W399 P414 G416 T417 | G361-H397 PolarHBondContact O-NE2 2.44Å; H362-H397 AromaticContact CE1-CD2 3.46Å; H362-H397 PolarHBondContact CE1-CD2 2.93Å; H362-H397 VanDerWaalsContact CE1-CD2 3.46Å; H362-H397 AromaticContact CG-CD2 3.89Å; H362-H397 AromaticContact ND1-CD2 3.42Å; H362-H397 PolarHBondContact ND1-CD2 3.38Å; H362-H397 AromaticContact NE2-CD2 3.91Å; A379-H397 CarbonylContact C-O 3.6Å; A379-H397 WeakPolarHBondContact CA-O 3.28Å; A379-H397 WeakPolarHBondContact CB-O 3.37Å; S380-H397 PolarHBondContact N-O 3.46Å; S380-H397 PolarHBondContact O-N 3.15Å; H397-W399 HydrophobicContact CB-CZ2 3.53Å; H397-W399 AromaticContact CD2-CZ2 4Å; H397-P414 HydrophobicContact CB-CB 4.01Å; H397-G416 CarbonylContact C-O 3.58Å; H397-G416 WeakPolarHBondContact CA-O 3.33Å; H397-T417 VanDerWaalsContact ND1-CG2 3.34Å; H397-T417 WeakPolarHBondContact ND1-CG2 3.29Å |
| 398 | V | 89.3 | Confident | 68.3 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.7 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | I377 I378 A379 P414 L415 G416 L438 L456 L459 L465 | I377-V398 HydrophobicContact CG2-CG1 3.47Å; I377-V398 VanDerWaalsContact CG2-CG1 3.47Å; I378-V398 CarbonylContact O-C 3.37Å; I378-V398 WeakPolarHBondContact O-CA 3.35Å; A379-V398 HydrophobicContact CB-CG2 4.07Å; V398-P414 CarbonylContact O-C 3.21Å; V398-P414 VanDerWaalsContact O-CA 3.26Å; V398-P414 WeakPolarHBondContact O-CA 3.34Å; V398-P414 VanDerWaalsContact O-CB 3.25Å; V398-P414 WeakPolarHBondContact O-CB 3.3Å; V398-L415 WeakPolarHBondContact O-CA 3.1Å; V398-L415 PolarHBondContact O-N 2.9Å; V398-G416 PolarHBondContact N-O 3.45Å; V398-G416 PolarHBondContact O-N 2.85Å; V398-G416 VanDerWaalsContact O-N 3.11Å; V398-L438 HydrophobicContact CG2-CD2 3.73Å; V398-L456 HydrophobicContact CG2-CD2 4.14Å; V398-L459 HydrophobicContact CB-CD1 4.46Å; V398-L459 HydrophobicContact CG1-CD1 4.15Å; V398-L459 HydrophobicContact CG1-CD2 3.88Å; V398-L465 HydrophobicContact CG2-CD1 3.82Å |
| 399 | W | 87.8 | Confident | 68 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 161.3 | -167.2 | -44.2 | 79.2 | 0 | 0 | 0 | 110.5 | L359 E360 H362 I377 I378 S380 H397 P414 | L359-W399 HydrophobicContact CB-CD2 4.23Å; L359-W399 HydrophobicContact CB-CE3 3.72Å; L359-W399 HydrophobicContact CB-CH2 4.4Å; L359-W399 HydrophobicContact CB-CZ3 3.8Å; L359-W399 HydrophobicContact CD1-CB 4.36Å; L359-W399 HydrophobicContact CD1-CD2 4.4Å; L359-W399 HydrophobicContact CD1-CG 4.32Å; E360-W399 VanDerWaalsContact C-CH2 3.47Å; E360-W399 WeakPolarHBondContact O-CH2 3.17Å; E360-W399 VanDerWaalsContact O-CZ3 3.24Å; E360-W399 WeakPolarHBondContact O-CZ3 3.04Å; H362-W399 AromaticContact CD2-CZ2 3.78Å; H362-W399 AromaticContact NE2-CZ2 3.85Å; I377-W399 VanDerWaalsContact CA-O 3.29Å; I377-W399 WeakPolarHBondContact CA-O 3.43Å; I378-W399 HydrophobicContact CB-CB 4.21Å; I378-W399 PolarHBondContact N-O 3.19Å; I378-W399 PolarHBondContact O-N 3.13Å; S380-W399 PolarHBondContact OG-NE1 2.95Å; H397-W399 HydrophobicContact CB-CZ2 3.53Å; H397-W399 AromaticContact CD2-CZ2 4Å; W399-P414 HydrophobicContact CD2-CB 3.94Å; W399-P414 HydrophobicContact CE3-CB 3.85Å; W399-P414 HydrophobicContact CE3-CG 4.48Å; W399-P414 HydrophobicContact CH2-CB 4.24Å; W399-P414 HydrophobicContact CH2-CG 4.25Å; W399-P414 HydrophobicContact CZ2-CB 4.31Å; W399-P414 HydrophobicContact CZ3-CB 4.02Å; W399-P414 VanDerWaalsContact CZ3-CD 3.46Å; W399-P414 HydrophobicContact CZ3-CG 4.17Å |
| 400 | R | 83.9 | Confident | 68.8 | Low | 164 Ų | 164 | 68.3 Ų | 68.3 | 62% | 0.619 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.4 | 167.2 | -163.6 | 172.3 | 180 | 141.8 | 0.9 | 109.5 | Q376 L415 | Q376-R400 WeakPolarHBondContact O-CA 3.46Å; R400-L415 HydrophobicContact CB-CD1 3.97Å; R400-L415 HydrophobicContact CB-CD2 4.21Å; R400-L415 HydrophobicContact CB-CG 4.13Å |
| 401 | M | 80.7 | Confident | 69.5 | Low | 29 Ų | 29 | 65.8 Ų | 65.8 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 126.6 | 168.8 | -173.7 | 68 | -164 | 0 | 0 | 109.7 | A332 A337 I339 V348 G375 Q376 I378 | A332-M401 HydrophobicContact CB-CE 3.69Å; A332-M401 HydrophobicContact CB-SD 4.34Å; A337-M401 HydrophobicContact CB-CE 3.53Å; I339-M401 HydrophobicContact CD1-CE 4.17Å; I339-M401 HydrophobicContact CD1-SD 3.76Å; V348-M401 HydrophobicContact CG1-CE 3.66Å; G375-M401 WeakPolarHBondContact O-CB 3.37Å; Q376-M401 PolarHBondContact O-N 3.11Å; I378-M401 HydrophobicContact CD1-SD 3.87Å; I378-M401 HydrophobicContact CG1-SD 4.25Å |
| 402 | P | 73.9 | Confident | 70.5 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 146.2 | -179 | 31.8 | -35.7 | 0 | 0 | 0 | 112.6 | V348 L359 L404 | V348-P402 HydrophobicContact CB-CG 4.1Å; V348-P402 HydrophobicContact CG1-CG 3.91Å; V348-P402 HydrophobicContact CG2-CG 4.02Å; L359-P402 HydrophobicContact CD2-CG 4.36Å; P402-L404 PolarHBondContact O-N 2.76Å |
| 403 | N | 70.4 | Confident | 71 | Confident | 104 Ų | 104 | 72 Ų | 72 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | trans | -89.7 | 86.1 | 176 | -87 | 2.9 | 0 | 0 | 0 | 110.7 | L405 H406 Y407 | N403-L405 PolarHBondContact O-N 2.84Å; N403-H406 PolarHBondContact O-N 3.26Å; N403-Y407 HydrophobicContact CB-CD2 3.91Å; N403-Y407 HydrophobicContact CB-CE2 4.07Å | ||
| 404 | L | 59.4 | Low | 71.4 | Confident | 39 Ų | 39 | 71 Ų | 71 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -31.2 | -176.6 | -70.5 | 159.4 | 0 | 0 | 0 | 115.4 | A337 V348 E350 C357 P402 | A337-L404 HydrophobicContact CB-CD1 3.71Å; V348-L404 HydrophobicContact CG1-CD1 4.25Å; V348-L404 HydrophobicContact CG1-CD2 4.45Å; E350-L404 HydrophobicContact CB-CD1 4.07Å; E350-L404 HydrophobicContact CG-CD1 4.5Å; C357-L404 HydrophobicContact CB-CD2 3.89Å; P402-L404 PolarHBondContact O-N 2.76Å |
| 405 | L | 52.2 | Low | 71.4 | Confident | 134 Ų | 134 | 74.5 Ų | 74.5 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.6 | -177.8 | -68 | 171.8 | 0 | 0 | 0 | 114.9 | N403 | N403-L405 PolarHBondContact O-N 2.84Š|
| 406 | H | 49.1 | Very low | 71.2 | Confident | 164 Ų | 164 | 73.5 Ų | 73.5 | 76% | 0.759 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -2.9 | -162.7 | -96.3 | -59 | 0 | 0 | 0 | 116.6 | N403 | N403-H406 PolarHBondContact O-N 3.26Š|
| 407 | Y | 43.8 | Very low | 71.1 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | trans | -116.1 | 133 | -178.3 | -80.4 | -92.5 | 0 | 0 | 0 | 112.4 | N403 | N403-Y407 HydrophobicContact CB-CD2 3.91Å; N403-Y407 HydrophobicContact CB-CE2 4.07Å | ||
| 408 | S | 48.2 | Very low | 70.8 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 75% | 0.748 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -80.5 | -25.6 | 171.2 | 50.9 | 0 | 0 | 0 | 0 | 113 | H410 | S408-H410 PolarHBondContact O-N 3.04Å; S408-H410 PolarHBondContact O-ND1 3.35Å |
| 409 | L | 42.6 | Very low | 70.7 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | trans | -75.9 | 116.8 | 176.7 | -72.9 | 164.3 | 0 | 0 | 0 | 109.8 | T411 | L409-T411 VanDerWaalsContact C-N 3.35Š| ||
| 410 | H | 62.5 | Low | 70.5 | Confident | 117 Ų | 117 | 82.8 Ų | 82.8 | 54% | 0.542 | 40% | 0.401 | S | S | . | . | trans | -83.3 | -9.2 | -176.9 | -72.7 | 56.6 | 0 | 0 | 0 | 113.4 | C357 F358 S408 | C357-H410 PolarHBondContact SG-O 2.87Å; F358-H410 PolarHBondContact N-O 3.33Å; S408-H410 PolarHBondContact O-N 3.04Å; S408-H410 PolarHBondContact O-ND1 3.35Å | ||
| 411 | T | 67.8 | Low | 70.3 | Confident | 62 Ų | 62 | 80.5 Ų | 80.5 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.4 | -175.2 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | F358 E360 L409 | F358-T411 HydrophobicContact CB-CG2 4.29Å; F358-T411 CarbonylContact O-C 3.59Å; F358-T411 VanDerWaalsContact O-CA 3.27Å; F358-T411 WeakPolarHBondContact O-CA 3.29Å; E360-T411 HydrophobicContact CG-CG2 4.22Å; E360-T411 WeakPolarHBondContact OE1-CG2 3.11Å; L409-T411 VanDerWaalsContact C-N 3.35Å |
| 412 | H | 73.9 | Confident | 70.2 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.4 | 177.9 | -78 | -81.5 | 0 | 0 | 0 | 113.5 | F358 L359 E360 | F358-H412 PolarHBondContact O-N 3.5Å; L359-H412 WeakPolarHBondContact CA-O 3.4Å; L359-H412 HydrophobicContact CD2-CB 3.86Å; E360-H412 PolarHBondContact N-O 3.05Å |
| 413 | K | 78.8 | Confident | 70.5 | Confident | 171 Ų | 171 | 81.8 Ų | 81.8 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | trans | -98.4 | 160.3 | 178.4 | -69 | -173.3 | 179.6 | -176.5 | 0 | 112.4 | ||||
| 414 | P | 84.7 | Confident | 70.9 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | trans | -73 | 142.4 | -179.1 | 28.5 | -33.6 | 0 | 0 | 0 | 113.1 | H397 V398 W399 | H397-P414 HydrophobicContact CB-CB 4.01Å; V398-P414 CarbonylContact O-C 3.21Å; V398-P414 VanDerWaalsContact O-CA 3.26Å; V398-P414 WeakPolarHBondContact O-CA 3.34Å; V398-P414 VanDerWaalsContact O-CB 3.25Å; V398-P414 WeakPolarHBondContact O-CB 3.3Å; W399-P414 HydrophobicContact CD2-CB 3.94Å; W399-P414 HydrophobicContact CE3-CB 3.85Å; W399-P414 HydrophobicContact CE3-CG 4.48Å; W399-P414 HydrophobicContact CH2-CB 4.24Å; W399-P414 HydrophobicContact CH2-CG 4.25Å; W399-P414 HydrophobicContact CZ2-CB 4.31Å; W399-P414 HydrophobicContact CZ3-CB 4.02Å; W399-P414 VanDerWaalsContact CZ3-CD 3.46Å; W399-P414 HydrophobicContact CZ3-CG 4.17Å | ||
| 415 | L | 83.3 | Confident | 72 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 38% | 0.382 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -66.7 | -36.6 | 169.6 | -66.7 | 175 | 0 | 0 | 0 | 112.8 | I377 V398 R400 L459 S463 | I377-L415 HydrophobicContact CG1-CD1 4.49Å; V398-L415 WeakPolarHBondContact O-CA 3.1Å; V398-L415 PolarHBondContact O-N 2.9Å; R400-L415 HydrophobicContact CB-CD1 3.97Å; R400-L415 HydrophobicContact CB-CD2 4.21Å; R400-L415 HydrophobicContact CB-CG 4.13Å; L415-L459 HydrophobicContact CD1-CD2 4.5Å; L415-S463 WeakPolarHBondContact O-CB 3.35Å |
| 416 | G | 82.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | H397 V398 S463 | H397-G416 CarbonylContact C-O 3.58Å; H397-G416 WeakPolarHBondContact CA-O 3.33Å; V398-G416 PolarHBondContact N-O 3.45Å; V398-G416 PolarHBondContact O-N 2.85Å; V398-G416 VanDerWaalsContact O-N 3.11Å; G416-S463 CarbonylContact C-O 3.5Å; G416-S463 WeakPolarHBondContact CA-O 3.35Å |
| 417 | T | 87.9 | Confident | 74.9 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 139.9 | -174.4 | 85.4 | 0 | 0 | 0 | 0 | 111.7 | V396 H397 S463 L465 | V396-T417 CarbonylContact O-C 3.58Å; V396-T417 VanDerWaalsContact O-CA 3.29Å; V396-T417 WeakPolarHBondContact O-CA 3.31Å; H397-T417 VanDerWaalsContact ND1-CG2 3.34Å; H397-T417 WeakPolarHBondContact ND1-CG2 3.29Å; T417-S463 PolarHBondContact N-O 2.8Å; T417-L465 PolarHBondContact O-N 3.36Å |
| 418 | G | 85.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V396 | V396-G418 PolarHBondContact N-O 2.77Å; V396-G418 PolarHBondContact O-N 2.88Å |
| 419 | R | 86.1 | Confident | 78.7 | Confident | 171 Ų | 171 | 57.1 Ų | 57.1 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 113.8 | -178.8 | -65.3 | -177.2 | 177.8 | -174.2 | -2.8 | 111.1 | I393 W454 | I393-R419 HydrophobicContact CG2-CB 3.97Å; I393-R419 HydrophobicContact CG2-CG 4.42Å; R419-W454 WeakPolarHBondContact O-CH2 3.23Å |
| 420 | V | 83.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 115.4 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | I393 G394 A423 L426 M450 V452 W454 | I393-V420 WeakPolarHBondContact CA-O 3.28Å; G394-V420 PolarHBondContact N-O 3.19Å; G394-V420 WeakPolarHBondContact O-CG1 3.11Å; G394-V420 PolarHBondContact O-N 3.37Å; V420-A423 HydrophobicContact CG1-CB 4Å; V420-L426 HydrophobicContact CG1-CD1 4.38Å; V420-L426 HydrophobicContact CG1-CD2 4.19Å; V420-M450 HydrophobicContact CG2-SD 3.89Å; V420-V452 HydrophobicContact CB-CG1 4.05Å; V420-V452 HydrophobicContact CB-CG2 4.47Å; V420-V452 HydrophobicContact CG1-CG1 4.37Å; V420-V452 HydrophobicContact CG1-CG2 4.28Å; V420-V452 HydrophobicContact CG2-CG1 4.04Å; V420-V452 HydrophobicContact CG2-CG2 3.99Å; V420-W454 HydrophobicContact CB-CZ2 4.1Å |
| 421 | Q | 80.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 48.1 Ų | 48.1 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -64.8 | 163 | 174.6 | -68.3 | 176.9 | -19.5 | 0 | 0 | 111.9 | C392 I393 A423 R470 | C392-Q421 CarbonylContact O-C 3.41Å; I393-Q421 HydrophobicContact CG1-CG 4.34Å; Q421-A423 VanDerWaalsContact C-N 3.26Å; Q421-A423 PolarHBondContact O-N 3.14Å; Q421-R470 PolarHBondContact O-NH1 3.46Å; Q421-R470 PolarHBondContact O-NH2 2.86Å |
| 422 | N | 78.5 | Confident | 82.5 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 35% | 0.348 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 50.1 | 39.5 | 177.7 | -60.5 | -10.7 | 0 | 0 | 0 | 114.2 | C392 D444 V445 M450 R470 | C392-N422 CarbonylContact O-C 3.23Å; C392-N422 VanDerWaalsContact O-CA 3.25Å; C392-N422 WeakPolarHBondContact O-CA 3.08Å; C392-N422 PolarHBondContact O-N 2.66Å; N422-D444 WeakPolarHBondContact O-CA 3.46Å; N422-V445 HydrophobicContact CB-CG2 3.89Å; N422-V445 PolarHBondContact O-N 3.09Å; N422-M450 WeakPolarHBondContact O-CE 3.25Å; N422-R470 PolarHBondContact O-NH2 3.49Å |
| 423 | A | 79.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S384 C392 V420 Q421 S425 L426 M443 M450 | S384-A423 WeakPolarHBondContact CB-O 3.32Å; S384-A423 PolarHBondContact OG-O 3.03Å; S384-A423 VanDerWaalsContact OG-O 3.07Å; C392-A423 WeakPolarHBondContact CB-O 3.24Å; C392-A423 PolarHBondContact O-N 3.5Å; V420-A423 HydrophobicContact CG1-CB 4Å; Q421-A423 VanDerWaalsContact C-N 3.26Å; Q421-A423 PolarHBondContact O-N 3.14Å; A423-S425 VanDerWaalsContact C-N 3.27Å; A423-S425 PolarHBondContact O-N 2.67Å; A423-L426 HydrophobicContact CB-CD2 4.4Å; A423-M443 CarbonylContact C-O 2.87Å; A423-M443 WeakPolarHBondContact CA-O 3.36Å; A423-M450 HydrophobicContact CB-CE 3.55Å; A423-M450 HydrophobicContact CB-SD 4.41Å |
| 424 | Q | 79.7 | Confident | 82.1 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -31.3 | 177.9 | -172 | -175.4 | 13.4 | 0 | 0 | 112.6 | S384 M443 D444 S447 | S384-Q424 PolarHBondContact OG-O 3.49Å; Q424-M443 HydrophobicContact CB-CB 4.44Å; Q424-M443 PolarHBondContact N-O 2.91Å; Q424-D444 PolarHBondContact OE1-O 3.11Å; Q424-S447 PolarHBondContact OE1-OG 3.28Å |
| 425 | S | 81.4 | Confident | 81.6 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 144.3 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | S383 A423 G442 M443 | S383-S425 WeakPolarHBondContact OG-CA 3.25Å; S383-S425 PolarHBondContact OG-OG 2.86Å; A423-S425 VanDerWaalsContact C-N 3.27Å; A423-S425 PolarHBondContact O-N 2.67Å; S425-G442 CarbonylContact O-C 3.6Å; S425-G442 VanDerWaalsContact O-CA 3.32Å; S425-G442 WeakPolarHBondContact O-CA 2.94Å; S425-M443 PolarHBondContact N-O 2.9Å; S425-M443 PolarHBondContact O-N 2.78Å |
| 426 | L | 82.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.7 | 161 | -64.6 | -179.1 | 0 | 0 | 0 | 107.4 | S367 C381 S383 V396 V420 A423 A440 Y441 | S367-L426 VanDerWaalsContact CB-O 3.23Å; S367-L426 WeakPolarHBondContact CB-O 3.49Å; S367-L426 PolarHBondContact OG-O 3.12Å; C381-L426 HydrophobicContact CB-CB 4.01Å; C381-L426 HydrophobicContact CB-CD1 3.89Å; S383-L426 PolarHBondContact OG-N 3.11Å; S383-L426 PolarHBondContact OG-O 3.13Å; V396-L426 HydrophobicContact CG2-CD1 3.8Å; V420-L426 HydrophobicContact CG1-CD1 4.38Å; V420-L426 HydrophobicContact CG1-CD2 4.19Å; A423-L426 HydrophobicContact CB-CD2 4.4Å; L426-A440 HydrophobicContact CD2-CB 4.25Å; L426-Y441 CarbonylContact C-O 3.47Å |
| 427 | K | 80.3 | Confident | 81.6 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 34% | 0.335 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -7.6 | -176.8 | -70.2 | -172.2 | -179.4 | -177.8 | 0 | 113.7 | Y441 I477 | K427-Y441 HydrophobicContact CB-CD2 4.08Å; K427-Y441 HydrophobicContact CB-CE2 3.72Å; K427-Y441 PolarHBondContact N-O 2.88Å; K427-I477 WeakPolarHBondContact CD-O 3.1Å; K427-I477 PolarHBondContact NZ-O 2.78Å |
| 428 | G | 82.8 | Confident | 81.7 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y441 | G428-Y441 VanDerWaalsContact C-CE1 3.46Å; G428-Y441 WeakPolarHBondContact O-CD1 3.39Å; G428-Y441 PolarHBondContact O-N 3.41Å; G428-Y441 VanDerWaalsContact O-N 3.1Å |
| 429 | L | 88.2 | Confident | 81.8 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156 | -179.1 | -72.9 | 164 | 0 | 0 | 0 | 110.1 | C370 A379 C381 V396 L438 I439 A440 | C370-L429 HydrophobicContact CB-CB 4.04Å; C370-L429 VanDerWaalsContact SG-CB 3.57Å; A379-L429 HydrophobicContact CB-CD1 4.3Å; C381-L429 HydrophobicContact CB-CD1 3.7Å; C381-L429 HydrophobicContact CB-CD2 4.35Å; C381-L429 HydrophobicContact CB-CG 3.86Å; V396-L429 HydrophobicContact CG1-CD1 4.07Å; V396-L429 HydrophobicContact CG1-CD2 3.71Å; V396-L429 HydrophobicContact CG2-CD2 3.97Å; L429-L438 HydrophobicContact CB-CD1 4.42Å; L429-L438 HydrophobicContact CD2-CD1 4.06Å; L429-L438 HydrophobicContact CD2-CD2 4.47Å; L429-L438 HydrophobicContact CD2-CG 4.12Å; L429-I439 CarbonylContact C-O 2.95Å; L429-I439 WeakPolarHBondContact CA-O 3.36Å; L429-A440 HydrophobicContact CD2-CB 3.52Å |
| 430 | C | 86 | Confident | 81.9 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 135.7 | 166.4 | -173 | 0 | 0 | 0 | 0 | 108.9 | I439 F480 L482 | C430-I439 PolarHBondContact N-O 3.2Å; C430-I439 PolarHBondContact O-N 3.22Å; C430-F480 HydrophobicContact CB-CD1 4.05Å; C430-F480 HydrophobicContact CB-CE1 3.77Å; C430-L482 VanDerWaalsContact SG-CB 3.52Å |
| 431 | M | 86.6 | Confident | 82.2 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.2 | 177.7 | -146 | 163.1 | 117.2 | 0 | 0 | 108.9 | I377 F437 L438 L456 L482 | I377-M431 HydrophobicContact CG2-CE 4.34Å; I377-M431 HydrophobicContact CG2-SD 4.36Å; M431-F437 WeakPolarHBondContact CG-O 3.49Å; M431-L438 HydrophobicContact CB-CD1 4.2Å; M431-L438 HydrophobicContact CG-CD1 4.07Å; M431-L456 HydrophobicContact CE-CD1 3.59Å; M431-L456 HydrophobicContact CG-CD1 3.43Å; M431-L456 VanDerWaalsContact CG-CD1 3.43Å; M431-L456 HydrophobicContact SD-CD1 3.46Å; M431-L456 WeakPolarHBondContact SD-CD1 3.28Å; M431-L482 WeakPolarHBondContact O-CD2 3.41Å |
| 432 | S | 82 | Confident | 82.5 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | trans | -61 | 149.5 | 177.6 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | R434 G435 E436 F437 | S432-R434 PolarHBondContact O-N 2.85Å; S432-G435 WeakPolarHBondContact O-CA 3.2Å; S432-G435 PolarHBondContact O-N 3.34Å; S432-E436 PolarHBondContact OG-N 3.35Å; S432-F437 PolarHBondContact N-O 2.8Å; S432-F437 PolarHBondContact OG-N 3.23Å; S432-F437 PolarHBondContact OG-O 3.39Å | ||
| 433 | D | 72.8 | Confident | 82.7 | Confident | 84 Ų | 84 | 25.4 Ų | 25.4 | 45% | 0.449 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -29 | -177.9 | -48.9 | -16.1 | 0 | 0 | 0 | 115.4 | P373 L482 | P373-D433 WeakPolarHBondContact CB-O 3.29Å; P373-D433 VanDerWaalsContact CG-O 3.26Å; P373-D433 WeakPolarHBondContact CG-O 3.44Å; D433-L482 WeakPolarHBondContact OD1-CD2 3.43Å |
| 434 | R | 69.9 | Low | 82.8 | Confident | 113 Ų | 113 | 26.2 Ų | 26.2 | 43% | 0.426 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -1 | 179 | -63.8 | -176.3 | 176.9 | -172.3 | 0.9 | 114.8 | S432 E436 | S432-R434 PolarHBondContact O-N 2.85Å; R434-E436 HydrophobicContact CB-CB 4.41Å; R434-E436 HydrophobicContact CB-CG 3.8Å; R434-E436 WeakPolarHBondContact CD-OE1 3.27Å; R434-E436 IonicContact CZ-OE1 2.78Å; R434-E436 IonicContact NE-OE1 3.58Å; R434-E436 IonicContact NH1-OE1 3.66Å; R434-E436 PolarHBondContact NH1-OE1 2.92Å; R434-E436 PolarHBondContact O-N 3.3Å |
| 435 | G | 74.1 | Confident | 82.8 | Confident | 18 Ų | 18 | 26.2 Ų | 26.2 | 19% | 0.186 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 64.2 | 14.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S432 L456 | S432-G435 WeakPolarHBondContact O-CA 3.2Å; S432-G435 PolarHBondContact O-N 3.34Å; G435-L456 WeakPolarHBondContact O-CB 3.45Å; G435-L456 WeakPolarHBondContact O-CD1 3.3Å |
| 436 | E | 80.8 | Confident | 82.5 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 16% | 0.159 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -74.4 | -27 | -178.8 | -73.1 | -172.3 | -140.9 | 0 | 0 | 113.2 | S432 R434 L456 R457 | S432-E436 PolarHBondContact OG-N 3.35Å; R434-E436 HydrophobicContact CB-CB 4.41Å; R434-E436 HydrophobicContact CB-CG 3.8Å; R434-E436 WeakPolarHBondContact CD-OE1 3.27Å; R434-E436 IonicContact CZ-OE1 2.78Å; R434-E436 IonicContact NE-OE1 3.58Å; R434-E436 IonicContact NH1-OE1 3.66Å; R434-E436 PolarHBondContact NH1-OE1 2.92Å; R434-E436 PolarHBondContact O-N 3.3Å; E436-L456 PolarHBondContact O-N 2.94Å; E436-R457 HydrophobicContact CB-CG 3.71Å; E436-R457 HydrophobicContact CG-CG 3.76Å; E436-R457 PolarHBondContact O-N 3.34Å; E436-R457 WeakPolarHBondContact OE2-CD 3.46Å; E436-R457 IonicContact OE2-NH1 2.69Å; E436-R457 PolarHBondContact OE2-NH1 2.84Å |
| 437 | F | 85.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.1 | -174.1 | -52.3 | -84.8 | 0 | 0 | 0 | 112.3 | M431 S432 V453 W454 R457 L468 I497 F536 Y538 | M431-F437 WeakPolarHBondContact CG-O 3.49Å; S432-F437 PolarHBondContact N-O 2.8Å; S432-F437 PolarHBondContact OG-N 3.23Å; S432-F437 PolarHBondContact OG-O 3.39Å; F437-V453 HydrophobicContact CB-CG1 4.46Å; F437-W454 CarbonylContact C-O 3.55Å; F437-W454 WeakPolarHBondContact CA-O 3.27Å; F437-W454 WeakPolarHBondContact CB-O 3.45Å; F437-R457 VanDerWaalsContact CZ-CZ 3.45Å; F437-L468 HydrophobicContact CD1-CD1 3.41Å; F437-L468 VanDerWaalsContact CD1-CD1 3.41Å; F437-L468 HydrophobicContact CE1-CD1 3.4Å; F437-L468 VanDerWaalsContact CE1-CD1 3.4Å; F437-I497 HydrophobicContact CB-CD1 4.33Å; F437-I497 HydrophobicContact CD2-CD1 3.42Å; F437-I497 VanDerWaalsContact CD2-CD1 3.42Å; F437-I497 HydrophobicContact CE2-CD1 3.95Å; F437-I497 HydrophobicContact CG-CD1 4.09Å; F437-F536 HydrophobicContact CD1-CE1 4.37Å; F437-F536 HydrophobicContact CE1-CE1 4.23Å; F437-F536 HydrophobicContact CZ-CE1 4.39Å; F437-Y538 HydrophobicContact CE2-CD2 4.32Å; F437-Y538 HydrophobicContact CE2-CE1 4.47Å; F437-Y538 HydrophobicContact CE2-CE2 4.19Å; F437-Y538 HydrophobicContact CZ-CD2 4Å; F437-Y538 HydrophobicContact CZ-CE2 4.29Å; F437-Y538 HydrophobicContact CZ-CG 4.21Å |
| 438 | L | 88.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.1 | 176.2 | -178.5 | 59.9 | 0 | 0 | 0 | 110 | A379 V396 V398 L429 M431 W454 L456 L465 | A379-L438 HydrophobicContact CB-CD1 3.95Å; A379-L438 HydrophobicContact CB-CD2 3.85Å; V396-L438 HydrophobicContact CG1-CD2 3.46Å; V396-L438 VanDerWaalsContact CG1-CD2 3.46Å; V396-L438 HydrophobicContact CG1-CG 4.34Å; V398-L438 HydrophobicContact CG2-CD2 3.73Å; L429-L438 HydrophobicContact CB-CD1 4.42Å; L429-L438 HydrophobicContact CD2-CD1 4.06Å; L429-L438 HydrophobicContact CD2-CD2 4.47Å; L429-L438 HydrophobicContact CD2-CG 4.12Å; M431-L438 HydrophobicContact CB-CD1 4.2Å; M431-L438 HydrophobicContact CG-CD1 4.07Å; L438-W454 HydrophobicContact CB-CB 4.25Å; L438-W454 PolarHBondContact N-O 3.48Å; L438-W454 WeakPolarHBondContact O-CB 3.36Å; L438-W454 PolarHBondContact O-N 2.91Å; L438-L456 HydrophobicContact CB-CD1 3.89Å; L438-L456 HydrophobicContact CB-CD2 3.97Å; L438-L456 HydrophobicContact CB-CG 3.84Å; L438-L456 HydrophobicContact CD2-CD2 4.3Å; L438-L465 HydrophobicContact CD2-CD1 4.1Å |
| 439 | I | 88.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.3 | -175.3 | -49 | -178.4 | 0 | 0 | 0 | 109.1 | L429 C430 I451 V452 V453 F480 L482 F499 | L429-I439 CarbonylContact C-O 2.95Å; L429-I439 WeakPolarHBondContact CA-O 3.36Å; C430-I439 PolarHBondContact N-O 3.2Å; C430-I439 PolarHBondContact O-N 3.22Å; I439-I451 HydrophobicContact CG2-CG2 3.8Å; I439-V452 CarbonylContact C-O 3.58Å; I439-V452 VanDerWaalsContact CA-O 3.3Å; I439-V452 WeakPolarHBondContact CA-O 3.32Å; I439-V453 HydrophobicContact CD1-CG2 4.5Å; I439-V453 HydrophobicContact CG1-CG1 4.33Å; I439-V453 HydrophobicContact CG1-CG2 4.22Å; I439-V453 HydrophobicContact CG2-CG2 4.18Å; I439-F480 HydrophobicContact CB-CZ 4.05Å; I439-F480 HydrophobicContact CD1-CZ 3.99Å; I439-F480 HydrophobicContact CG2-CE1 4.44Å; I439-F480 HydrophobicContact CG2-CE2 3.63Å; I439-F480 HydrophobicContact CG2-CZ 3.55Å; I439-L482 HydrophobicContact CD1-CD1 4.09Å; I439-F499 HydrophobicContact CD1-CD1 3.84Å; I439-F499 HydrophobicContact CD1-CE1 3.88Å |
| 440 | A | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V396 L426 L429 V452 | V396-A440 HydrophobicContact CG2-CB 4.21Å; L426-A440 HydrophobicContact CD2-CB 4.25Å; L429-A440 HydrophobicContact CD2-CB 3.52Å; A440-V452 HydrophobicContact CB-CB 4.27Å; A440-V452 PolarHBondContact N-O 3.09Å; A440-V452 PolarHBondContact O-N 3.33Å |
| 441 | Y | 89.2 | Confident | 82.2 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 13% | 0.125 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.5 | 174.5 | 69.7 | -85.7 | 0 | 0 | 0 | 111.7 | L426 K427 G428 M450 I477 F480 | L426-Y441 CarbonylContact C-O 3.47Å; K427-Y441 HydrophobicContact CB-CD2 4.08Å; K427-Y441 HydrophobicContact CB-CE2 3.72Å; K427-Y441 PolarHBondContact N-O 2.88Å; G428-Y441 VanDerWaalsContact C-CE1 3.46Å; G428-Y441 WeakPolarHBondContact O-CD1 3.39Å; G428-Y441 PolarHBondContact O-N 3.41Å; G428-Y441 VanDerWaalsContact O-N 3.1Å; Y441-M450 CarbonylContact C-O 3.49Å; Y441-M450 VanDerWaalsContact CA-O 3.26Å; Y441-M450 WeakPolarHBondContact CA-O 3.19Å; Y441-I477 HydrophobicContact CD2-CB 4.32Å; Y441-I477 HydrophobicContact CD2-CG2 3.57Å; Y441-I477 HydrophobicContact CE2-CG2 4.15Å; Y441-I477 HydrophobicContact CG-CG2 4.37Å; Y441-F480 HydrophobicContact CD1-CB 3.35Å; Y441-F480 HydrophobicContact CD1-CD1 4.4Å; Y441-F480 HydrophobicContact CD1-CD2 4.23Å; Y441-F480 AromaticContact CD1-CG 3.77Å; Y441-F480 HydrophobicContact CD1-CG 3.77Å; Y441-F480 HydrophobicContact CD2-CB 4.09Å; Y441-F480 HydrophobicContact CE1-CB 3.49Å; Y441-F480 VanDerWaalsContact CE1-CB 3.49Å; Y441-F480 HydrophobicContact CE1-CG 4.22Å; Y441-F480 HydrophobicContact CE2-CB 4.21Å; Y441-F480 HydrophobicContact CG-CB 3.67Å; Y441-F480 HydrophobicContact CG-CD2 4.38Å; Y441-F480 HydrophobicContact CG-CG 4.24Å |
| 442 | G | 86.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -136.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S425 G449 M450 | S425-G442 CarbonylContact O-C 3.6Å; S425-G442 VanDerWaalsContact O-CA 3.32Å; S425-G442 WeakPolarHBondContact O-CA 2.94Å; G442-G449 CarbonylContact O-C 3.53Å; G442-G449 WeakPolarHBondContact O-CA 3.44Å; G442-M450 PolarHBondContact N-O 2.76Å; G442-M450 PolarHBondContact O-N 3.11Å |
| 443 | M | 82.9 | Confident | 82.6 | Confident | 23 Ų | 23 | 33.4 Ų | 33.4 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.4 | -177.6 | -72.5 | 169.4 | 55.6 | 0 | 0 | 112 | A423 Q424 S425 R448 T476 | A423-M443 CarbonylContact C-O 2.87Å; A423-M443 WeakPolarHBondContact CA-O 3.36Å; Q424-M443 HydrophobicContact CB-CB 4.44Å; Q424-M443 PolarHBondContact N-O 2.91Å; S425-M443 PolarHBondContact N-O 2.9Å; S425-M443 PolarHBondContact O-N 2.78Å; M443-R448 CarbonylContact C-O 3.52Å; M443-R448 VanDerWaalsContact CA-O 3.27Å; M443-R448 WeakPolarHBondContact CA-O 3.46Å; M443-T476 HydrophobicContact CE-CG2 3.65Å; M443-T476 HydrophobicContact CG-CG2 3.99Å; M443-T476 HydrophobicContact SD-CG2 3.56Å; M443-T476 VanDerWaalsContact SD-CG2 3.56Å |
| 444 | D | 82 | Confident | 83.3 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 158.4 | 167.4 | -165.9 | -69.4 | 0 | 0 | 0 | 110.5 | N422 Q424 R446 S447 R448 M450 R470 T472 | N422-D444 WeakPolarHBondContact O-CA 3.46Å; Q424-D444 PolarHBondContact OE1-O 3.11Å; D444-R446 PolarHBondContact O-N 2.84Å; D444-R446 PolarHBondContact OD1-N 2.94Å; D444-S447 WeakPolarHBondContact O-CA 3.22Å; D444-S447 PolarHBondContact O-N 3.02Å; D444-R448 HydrophobicContact CB-CB 4.08Å; D444-R448 WeakPolarHBondContact CB-O 3.5Å; D444-R448 PolarHBondContact N-O 2.97Å; D444-M450 HydrophobicContact CB-CE 3.87Å; D444-R470 IonicContact OD2-CZ 3.01Å; D444-R470 IonicContact OD2-NE 3.62Å; D444-R470 IonicContact OD2-NH2 3.47Å; D444-R470 PolarHBondContact OD2-NH2 3.26Å; D444-T472 HydrophobicContact CB-CG2 4.41Å; D444-T472 WeakPolarHBondContact OD2-CG2 3.48Å |
| 445 | V | 78.6 | Confident | 83.9 | Confident | 48 Ų | 48 | 25 Ų | 25 | 29% | 0.291 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -25.2 | 175.1 | -166 | 0 | 0 | 0 | 0 | 112.6 | C392 N422 S447 | C392-V445 HydrophobicContact CB-CG2 3.87Å; N422-V445 HydrophobicContact CB-CG2 3.89Å; N422-V445 PolarHBondContact O-N 3.09Å; V445-S447 PolarHBondContact O-N 2.9Å |
| 446 | R | 75.7 | Confident | 84.3 | Confident | 198 Ų | 198 | 24.5 Ų | 24.5 | 75% | 0.747 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 16.4 | 174.6 | -63.5 | 178.4 | 172.7 | 173 | -1.6 | 114.2 | D444 R448 | D444-R446 PolarHBondContact O-N 2.84Å; D444-R446 PolarHBondContact OD1-N 2.94Å; R446-R448 HydrophobicContact CB-CG 4.06Å; R446-R448 PolarHBondContact O-N 2.77Å; R446-R448 VanDerWaalsContact O-N 3.09Å |
| 447 | S | 75.2 | Confident | 84.2 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 28% | 0.28 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 52.3 | 24.9 | -171.6 | -55.5 | 0 | 0 | 0 | 0 | 114.3 | Q424 D444 V445 T476 | Q424-S447 PolarHBondContact OE1-OG 3.28Å; D444-S447 WeakPolarHBondContact O-CA 3.22Å; D444-S447 PolarHBondContact O-N 3.02Å; V445-S447 PolarHBondContact O-N 2.9Å; S447-T476 WeakPolarHBondContact O-CG2 3.26Å |
| 448 | R | 80.6 | Confident | 83.5 | Confident | 93 Ų | 93 | 30.6 Ų | 30.6 | 35% | 0.351 | 14% | 0.137 | S | C | . | . | trans | -90.3 | 142 | 177.9 | -70.6 | -175.9 | -172.9 | -136.2 | -9.8 | 109.4 | M443 D444 R446 I473 D474 | M443-R448 CarbonylContact C-O 3.52Å; M443-R448 VanDerWaalsContact CA-O 3.27Å; M443-R448 WeakPolarHBondContact CA-O 3.46Å; D444-R448 HydrophobicContact CB-CB 4.08Å; D444-R448 WeakPolarHBondContact CB-O 3.5Å; D444-R448 PolarHBondContact N-O 2.97Å; R446-R448 HydrophobicContact CB-CG 4.06Å; R446-R448 PolarHBondContact O-N 2.77Å; R446-R448 VanDerWaalsContact O-N 3.09Å; R448-I473 CarbonylContact C-O 3.53Å; R448-I473 WeakPolarHBondContact CA-O 3.17Å; R448-I473 WeakPolarHBondContact CB-O 3.11Å; R448-D474 IonicContact CZ-OD1 2.7Å; R448-D474 IonicContact NE-OD1 3.19Å; R448-D474 IonicContact NH1-OD1 3.2Å; R448-D474 PolarHBondContact NH1-OD1 3.47Å; R448-D474 IonicContact NH2-OD1 2.87Å; R448-D474 PolarHBondContact NH2-OD1 2.86Å | ||
| 449 | G | 81.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 140.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G442 T472 I473 K475 | G442-G449 CarbonylContact O-C 3.53Å; G442-G449 WeakPolarHBondContact O-CA 3.44Å; G449-T472 CarbonylContact O-C 3.46Å; G449-T472 WeakPolarHBondContact O-CA 3.5Å; G449-I473 PolarHBondContact N-O 2.86Å; G449-I473 PolarHBondContact O-N 3.27Å; G449-K475 VanDerWaalsContact CA-O 3.22Å; G449-K475 WeakPolarHBondContact CA-O 3.42Å; G449-K475 PolarHBondContact N-O 3.32Å |
| 450 | M | 86.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.9 | 178.1 | -163.3 | -164.3 | -45 | 0 | 0 | 111 | V420 N422 A423 Y441 G442 D444 V452 R470 S471 T472 I477 | V420-M450 HydrophobicContact CG2-SD 3.89Å; N422-M450 WeakPolarHBondContact O-CE 3.25Å; A423-M450 HydrophobicContact CB-CE 3.55Å; A423-M450 HydrophobicContact CB-SD 4.41Å; Y441-M450 CarbonylContact C-O 3.49Å; Y441-M450 VanDerWaalsContact CA-O 3.26Å; Y441-M450 WeakPolarHBondContact CA-O 3.19Å; G442-M450 PolarHBondContact N-O 2.76Å; G442-M450 PolarHBondContact O-N 3.11Å; D444-M450 HydrophobicContact CB-CE 3.87Å; M450-V452 HydrophobicContact CG-CG2 3.93Å; M450-V452 HydrophobicContact SD-CG2 3.45Å; M450-V452 WeakPolarHBondContact SD-CG2 3.22Å; M450-R470 HydrophobicContact CG-CG 4.07Å; M450-R470 HydrophobicContact SD-CG 4.01Å; M450-R470 PolarHBondContact SD-NE 3.41Å; M450-S471 WeakPolarHBondContact CA-O 3.17Å; M450-T472 HydrophobicContact CG-CG2 4.2Å; M450-I477 VanDerWaalsContact O-CD1 3.23Å; M450-I477 WeakPolarHBondContact O-CD1 3.5Å |
| 451 | I | 89 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.3 | 168.8 | -45.8 | 177.1 | 0 | 0 | 0 | 108.3 | I439 R470 S471 I473 I477 F480 F499 T501 W534 | I439-I451 HydrophobicContact CG2-CG2 3.8Å; I451-R470 CarbonylContact O-C 3.44Å; I451-R470 WeakPolarHBondContact O-CA 3.48Å; I451-S471 PolarHBondContact N-O 3.45Å; I451-S471 PolarHBondContact O-N 2.95Å; I451-I473 HydrophobicContact CD1-CD1 4.28Å; I451-I473 HydrophobicContact CG1-CD1 4.45Å; I451-I477 HydrophobicContact CG1-CD1 3.76Å; I451-F480 HydrophobicContact CG2-CE2 4.13Å; I451-F499 HydrophobicContact CD1-CD2 4.48Å; I451-F499 HydrophobicContact CD1-CE2 3.78Å; I451-F499 HydrophobicContact CG2-CE2 3.9Å; I451-F499 HydrophobicContact CG2-CZ 4.11Å; I451-T501 HydrophobicContact CD1-CG2 3.38Å; I451-T501 HydrophobicContact CG1-CG2 4.03Å; I451-W534 HydrophobicContact CD1-CD2 3.89Å; I451-W534 HydrophobicContact CD1-CE3 4.46Å; I451-W534 HydrophobicContact CD1-CG 4.37Å; I451-W534 HydrophobicContact CD1-CH2 4.08Å; I451-W534 HydrophobicContact CD1-CZ2 3.45Å; I451-W534 VanDerWaalsContact CD1-CZ2 3.45Å |
| 452 | V | 88.1 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.2 | -171.4 | -169.6 | 0 | 0 | 0 | 0 | 108.2 | V420 I439 A440 M450 W454 L467 I469 | V420-V452 HydrophobicContact CB-CG1 4.05Å; V420-V452 HydrophobicContact CB-CG2 4.47Å; V420-V452 HydrophobicContact CG1-CG1 4.37Å; V420-V452 HydrophobicContact CG1-CG2 4.28Å; V420-V452 HydrophobicContact CG2-CG1 4.04Å; V420-V452 HydrophobicContact CG2-CG2 3.99Å; I439-V452 CarbonylContact C-O 3.58Å; I439-V452 VanDerWaalsContact CA-O 3.3Å; I439-V452 WeakPolarHBondContact CA-O 3.32Å; A440-V452 HydrophobicContact CB-CB 4.27Å; A440-V452 PolarHBondContact N-O 3.09Å; A440-V452 PolarHBondContact O-N 3.33Å; M450-V452 HydrophobicContact CG-CG2 3.93Å; M450-V452 HydrophobicContact SD-CG2 3.45Å; M450-V452 WeakPolarHBondContact SD-CG2 3.22Å; V452-W454 HydrophobicContact CG1-CZ2 4.22Å; V452-L467 HydrophobicContact CG1-CD1 3.38Å; V452-I469 WeakPolarHBondContact CA-O 3.33Å |
| 453 | V | 89.1 | Confident | 79 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121.8 | -177.8 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | F437 I439 L468 I469 F536 | F437-V453 HydrophobicContact CB-CG1 4.46Å; I439-V453 HydrophobicContact CD1-CG2 4.5Å; I439-V453 HydrophobicContact CG1-CG1 4.33Å; I439-V453 HydrophobicContact CG1-CG2 4.22Å; I439-V453 HydrophobicContact CG2-CG2 4.18Å; V453-L468 HydrophobicContact CG1-CD1 4.44Å; V453-L468 WeakPolarHBondContact O-CB 3.5Å; V453-L468 PolarHBondContact O-N 2.75Å; V453-I469 PolarHBondContact N-O 2.93Å; V453-I469 PolarHBondContact O-N 2.94Å; V453-F536 HydrophobicContact CG1-CE1 4.1Å; V453-F536 HydrophobicContact CG1-CZ 4.13Å |
| 454 | W | 86.9 | Confident | 78.8 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.6 | 177.9 | -59.7 | 89.2 | 0 | 0 | 0 | 111.3 | R419 V420 F437 L438 V452 L465 P466 L467 | R419-W454 WeakPolarHBondContact O-CH2 3.23Å; V420-W454 HydrophobicContact CB-CZ2 4.1Å; F437-W454 CarbonylContact C-O 3.55Å; F437-W454 WeakPolarHBondContact CA-O 3.27Å; F437-W454 WeakPolarHBondContact CB-O 3.45Å; L438-W454 HydrophobicContact CB-CB 4.25Å; L438-W454 PolarHBondContact N-O 3.48Å; L438-W454 WeakPolarHBondContact O-CB 3.36Å; L438-W454 PolarHBondContact O-N 2.91Å; V452-W454 HydrophobicContact CG1-CZ2 4.22Å; W454-L465 HydrophobicContact CB-CB 4.32Å; W454-L465 HydrophobicContact CB-CD1 4.46Å; W454-L465 HydrophobicContact CD2-CB 4.25Å; W454-L465 HydrophobicContact CE3-CB 3.6Å; W454-L465 HydrophobicContact CZ3-CB 4.33Å; W454-L465 WeakPolarHBondContact CZ3-O 3.36Å; W454-P466 CarbonylContact C-O 3.53Å; W454-P466 VanDerWaalsContact CA-O 3.26Å; W454-P466 WeakPolarHBondContact CA-O 3.22Å; W454-L467 HydrophobicContact CD2-CB 4.49Å; W454-L467 HydrophobicContact CD2-CD1 4.36Å; W454-L467 HydrophobicContact CE3-CB 3.93Å; W454-L467 HydrophobicContact CH2-CB 3.9Å; W454-L467 HydrophobicContact CH2-CD1 4.49Å; W454-L467 HydrophobicContact CZ2-CD1 4.28Å; W454-L467 HydrophobicContact CZ3-CB 3.61Å |
| 455 | D | 83.7 | Confident | 78.8 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 136.1 | 169.1 | -149.5 | -45.4 | 0 | 0 | 0 | 110.4 | R457 P466 L468 | D455-R457 VanDerWaalsContact OD1-CB 3.3Å; D455-R457 WeakPolarHBondContact OD1-CB 3.3Å; D455-R457 WeakPolarHBondContact OD1-CG 3.26Å; D455-R457 IonicContact OD1-CZ 2.65Å; D455-R457 PolarHBondContact OD1-N 2.7Å; D455-R457 IonicContact OD1-NE 2.76Å; D455-R457 PolarHBondContact OD1-NE 2.88Å; D455-R457 IonicContact OD1-NH2 2.65Å; D455-R457 IonicContact OD2-CZ 3.94Å; D455-R457 IonicContact OD2-NE 3.57Å; D455-R457 PolarHBondContact OD2-NE 3.45Å; D455-R457 IonicContact OD2-NH2 3.45Å; D455-R457 PolarHBondContact OD2-NH2 2.77Å; D455-P466 HydrophobicContact CB-CB 4.02Å; D455-P466 HydrophobicContact CB-CG 4.03Å; D455-P466 PolarHBondContact N-O 2.81Å; D455-P466 WeakPolarHBondContact O-CD 3.44Å; D455-L468 HydrophobicContact CB-CD1 3.84Å; D455-L468 HydrophobicContact CB-CD2 4.13Å; D455-L468 HydrophobicContact CB-CG 4.02Å |
| 456 | L | 82.8 | Confident | 78.8 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | trans | -113.1 | -11 | 174 | -69.8 | -175.6 | 0 | 0 | 0 | 112.8 | V398 M431 G435 E436 L438 N458 L459 L465 | V398-L456 HydrophobicContact CG2-CD2 4.14Å; M431-L456 HydrophobicContact CE-CD1 3.59Å; M431-L456 HydrophobicContact CG-CD1 3.43Å; M431-L456 VanDerWaalsContact CG-CD1 3.43Å; M431-L456 HydrophobicContact SD-CD1 3.46Å; M431-L456 WeakPolarHBondContact SD-CD1 3.28Å; G435-L456 WeakPolarHBondContact O-CB 3.45Å; G435-L456 WeakPolarHBondContact O-CD1 3.3Å; E436-L456 PolarHBondContact O-N 2.94Å; L438-L456 HydrophobicContact CB-CD1 3.89Å; L438-L456 HydrophobicContact CB-CD2 3.97Å; L438-L456 HydrophobicContact CB-CG 3.84Å; L438-L456 HydrophobicContact CD2-CD2 4.3Å; L456-N458 PolarHBondContact O-N 2.78Å; L456-N458 VanDerWaalsContact O-N 3.11Å; L456-L459 WeakPolarHBondContact O-CB 3.31Å; L456-L459 PolarHBondContact O-N 2.77Å; L456-L465 HydrophobicContact CD2-CD1 3.96Å; L456-L465 HydrophobicContact CD2-CD2 3.72Å; L456-L465 HydrophobicContact CD2-CG 4.46Å | ||
| 457 | R | 78.8 | Confident | 79.2 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 31% | 0.306 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.5 | -176 | -64.9 | 170.5 | -69.8 | -179.4 | 16.4 | 112.6 | E436 F437 D455 | E436-R457 HydrophobicContact CB-CG 3.71Å; E436-R457 HydrophobicContact CG-CG 3.76Å; E436-R457 PolarHBondContact O-N 3.34Å; E436-R457 WeakPolarHBondContact OE2-CD 3.46Å; E436-R457 IonicContact OE2-NH1 2.69Å; E436-R457 PolarHBondContact OE2-NH1 2.84Å; F437-R457 VanDerWaalsContact CZ-CZ 3.45Å; D455-R457 VanDerWaalsContact OD1-CB 3.3Å; D455-R457 WeakPolarHBondContact OD1-CB 3.3Å; D455-R457 WeakPolarHBondContact OD1-CG 3.26Å; D455-R457 IonicContact OD1-CZ 2.65Å; D455-R457 PolarHBondContact OD1-N 2.7Å; D455-R457 IonicContact OD1-NE 2.76Å; D455-R457 PolarHBondContact OD1-NE 2.88Å; D455-R457 IonicContact OD1-NH2 2.65Å; D455-R457 IonicContact OD2-CZ 3.94Å; D455-R457 IonicContact OD2-NE 3.57Å; D455-R457 PolarHBondContact OD2-NE 3.45Å; D455-R457 IonicContact OD2-NH2 3.45Å; D455-R457 PolarHBondContact OD2-NH2 2.77Å |
| 458 | N | 70.5 | Confident | 79.6 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 8.8 | 176.1 | -72.9 | -2.5 | 0 | 0 | 0 | 114.2 | L456 L460 H461 S462 | L456-N458 PolarHBondContact O-N 2.78Å; L456-N458 VanDerWaalsContact O-N 3.11Å; N458-L460 PolarHBondContact O-N 3.17Å; N458-L460 VanDerWaalsContact O-N 3.14Å; N458-H461 CarbonylContact O-C 3.55Å; N458-H461 WeakPolarHBondContact O-CA 3.42Å; N458-H461 PolarHBondContact O-N 2.81Å; N458-S462 PolarHBondContact O-N 2.7Å |
| 459 | L | 72 | Confident | 79.8 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.3 | -179 | -174.4 | 71.8 | 0 | 0 | 0 | 113.2 | I377 V398 L415 L456 H461 L465 | I377-L459 HydrophobicContact CD1-CD2 3.86Å; V398-L459 HydrophobicContact CB-CD1 4.46Å; V398-L459 HydrophobicContact CG1-CD1 4.15Å; V398-L459 HydrophobicContact CG1-CD2 3.88Å; L415-L459 HydrophobicContact CD1-CD2 4.5Å; L456-L459 WeakPolarHBondContact O-CB 3.31Å; L456-L459 PolarHBondContact O-N 2.77Å; L459-H461 VanDerWaalsContact C-N 3.29Å; L459-H461 PolarHBondContact O-N 2.81Å; L459-L465 HydrophobicContact CD1-CD2 3.84Å |
| 460 | L | 65.6 | Low | 79.9 | Confident | 170 Ų | 170 | 50.9 Ų | 50.9 | 89% | 0.89 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.1 | 173.9 | -68.6 | 173.8 | 0 | 0 | 0 | 114.1 | N458 | N458-L460 PolarHBondContact O-N 3.17Å; N458-L460 VanDerWaalsContact O-N 3.14Å |
| 461 | H | 64.4 | Low | 79.8 | Confident | 166 Ų | 166 | 52.3 Ų | 52.3 | 77% | 0.769 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -18.8 | -174.7 | -65.2 | 90 | 0 | 0 | 0 | 113.1 | N458 L459 | N458-H461 CarbonylContact O-C 3.55Å; N458-H461 WeakPolarHBondContact O-CA 3.42Å; N458-H461 PolarHBondContact O-N 2.81Å; L459-H461 VanDerWaalsContact C-N 3.29Å; L459-H461 PolarHBondContact O-N 2.81Å |
| 462 | S | 66.3 | Low | 79.5 | Confident | 49 Ų | 49 | 55 Ų | 55 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | trans | -150.9 | 128.1 | 178 | -170.5 | 0 | 0 | 0 | 0 | 111 | N458 V464 | N458-S462 PolarHBondContact O-N 2.7Å; S462-V464 PolarHBondContact OG-N 2.81Å; S462-V464 PolarHBondContact OG-O 2.87Å | ||
| 463 | S | 77.8 | Confident | 79.2 | Confident | 73 Ų | 73 | 55.2 Ų | 55.2 | 51% | 0.51 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -74.9 | -12.3 | 168.5 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | L415 G416 T417 | L415-S463 WeakPolarHBondContact O-CB 3.35Å; G416-S463 CarbonylContact C-O 3.5Å; G416-S463 WeakPolarHBondContact CA-O 3.35Å; T417-S463 PolarHBondContact N-O 2.8Å |
| 464 | V | 80 | Confident | 78.5 | Confident | 91 Ų | 91 | 60.5 Ų | 60.5 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | B | Isolated β-bridge | trans | -92.4 | 114 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | S462 P466 | S462-V464 PolarHBondContact OG-N 2.81Å; S462-V464 PolarHBondContact OG-O 2.87Å; V464-P466 WeakPolarHBondContact O-CD 3.35Å |
| 465 | L | 81.3 | Confident | 78 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 133 | 177.4 | -55.7 | -175.5 | 0 | 0 | 0 | 110 | V398 T417 L438 W454 L456 L459 L467 | V398-L465 HydrophobicContact CG2-CD1 3.82Å; T417-L465 PolarHBondContact O-N 3.36Å; L438-L465 HydrophobicContact CD2-CD1 4.1Å; W454-L465 HydrophobicContact CB-CB 4.32Å; W454-L465 HydrophobicContact CB-CD1 4.46Å; W454-L465 HydrophobicContact CD2-CB 4.25Å; W454-L465 HydrophobicContact CE3-CB 3.6Å; W454-L465 HydrophobicContact CZ3-CB 4.33Å; W454-L465 WeakPolarHBondContact CZ3-O 3.36Å; L456-L465 HydrophobicContact CD2-CD1 3.96Å; L456-L465 HydrophobicContact CD2-CD2 3.72Å; L456-L465 HydrophobicContact CD2-CG 4.46Å; L459-L465 HydrophobicContact CD1-CD2 3.84Å; L465-L467 PolarHBondContact O-N 3.34Å |
| 466 | P | 79.8 | Confident | 77.6 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 125.4 | 171.4 | -20.9 | 33 | 0 | 0 | 0 | 112.1 | W454 D455 V464 L468 | W454-P466 CarbonylContact C-O 3.53Å; W454-P466 VanDerWaalsContact CA-O 3.26Å; W454-P466 WeakPolarHBondContact CA-O 3.22Å; D455-P466 HydrophobicContact CB-CB 4.02Å; D455-P466 HydrophobicContact CB-CG 4.03Å; D455-P466 PolarHBondContact N-O 2.81Å; D455-P466 WeakPolarHBondContact O-CD 3.44Å; V464-P466 WeakPolarHBondContact O-CD 3.35Å; P466-L468 PolarHBondContact O-N 3Å |
| 467 | L | 83.9 | Confident | 77.5 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116 | 168.8 | 176.9 | 58 | 0 | 0 | 0 | 109.7 | V452 W454 L465 | V452-L467 HydrophobicContact CG1-CD1 3.38Å; W454-L467 HydrophobicContact CD2-CB 4.49Å; W454-L467 HydrophobicContact CD2-CD1 4.36Å; W454-L467 HydrophobicContact CE3-CB 3.93Å; W454-L467 HydrophobicContact CH2-CB 3.9Å; W454-L467 HydrophobicContact CH2-CD1 4.49Å; W454-L467 HydrophobicContact CZ2-CD1 4.28Å; W454-L467 HydrophobicContact CZ3-CB 3.61Å; L465-L467 PolarHBondContact O-N 3.34Å |
| 468 | L | 83.4 | Confident | 77.5 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -52 | -177.5 | -62.3 | 176.1 | 0 | 0 | 0 | 112.6 | F437 V453 D455 P466 F536 | F437-L468 HydrophobicContact CD1-CD1 3.41Å; F437-L468 VanDerWaalsContact CD1-CD1 3.41Å; F437-L468 HydrophobicContact CE1-CD1 3.4Å; F437-L468 VanDerWaalsContact CE1-CD1 3.4Å; V453-L468 HydrophobicContact CG1-CD1 4.44Å; V453-L468 WeakPolarHBondContact O-CB 3.5Å; V453-L468 PolarHBondContact O-N 2.75Å; D455-L468 HydrophobicContact CB-CD1 3.84Å; D455-L468 HydrophobicContact CB-CD2 4.13Å; D455-L468 HydrophobicContact CB-CG 4.02Å; P466-L468 PolarHBondContact O-N 3Å; L468-F536 HydrophobicContact CD1-CZ 4.15Å |
| 469 | I | 83.4 | Confident | 78 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142 | 179.8 | -69.4 | -167.8 | 0 | 0 | 0 | 110.6 | V452 V453 F536 L563 | V452-I469 WeakPolarHBondContact CA-O 3.33Å; V453-I469 PolarHBondContact N-O 2.93Å; V453-I469 PolarHBondContact O-N 2.94Å; I469-F536 HydrophobicContact CD1-CD2 3.88Å; I469-F536 HydrophobicContact CD1-CE2 3.67Å; I469-F536 HydrophobicContact CG1-CE2 4.03Å; I469-L563 HydrophobicContact CD1-CB 3.81Å; I469-L563 HydrophobicContact CG2-CB 3.87Å; I469-L563 HydrophobicContact CG2-CD2 3.64Å; I469-L563 HydrophobicContact CG2-CG 4.41Å |
| 470 | R | 84.8 | Confident | 78.7 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138 | 160.8 | 173.1 | -174.8 | 177.3 | 152.7 | 6.8 | 109 | Q421 N422 D444 M450 I451 | Q421-R470 PolarHBondContact O-NH1 3.46Å; Q421-R470 PolarHBondContact O-NH2 2.86Å; N422-R470 PolarHBondContact O-NH2 3.49Å; D444-R470 IonicContact OD2-CZ 3.01Å; D444-R470 IonicContact OD2-NE 3.62Å; D444-R470 IonicContact OD2-NH2 3.47Å; D444-R470 PolarHBondContact OD2-NH2 3.26Å; M450-R470 HydrophobicContact CG-CG 4.07Å; M450-R470 HydrophobicContact SD-CG 4.01Å; M450-R470 PolarHBondContact SD-NE 3.41Å; I451-R470 CarbonylContact O-C 3.44Å; I451-R470 WeakPolarHBondContact O-CA 3.48Å |
| 471 | S | 84.4 | Confident | 79.6 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.9 | 169 | -174 | 0 | 0 | 0 | 0 | 110.7 | M450 I451 W534 | M450-S471 WeakPolarHBondContact CA-O 3.17Å; I451-S471 PolarHBondContact N-O 3.45Å; I451-S471 PolarHBondContact O-N 2.95Å; S471-W534 WeakPolarHBondContact OG-CH2 3.24Å; S471-W534 WeakPolarHBondContact OG-CZ3 3.3Å |
| 472 | T | 82.8 | Confident | 80.5 | Confident | 55 Ų | 55 | 42 Ų | 42 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 159.8 | 175.6 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | D444 G449 M450 | D444-T472 HydrophobicContact CB-CG2 4.41Å; D444-T472 WeakPolarHBondContact OD2-CG2 3.48Å; G449-T472 CarbonylContact O-C 3.46Å; G449-T472 WeakPolarHBondContact O-CA 3.5Å; M450-T472 HydrophobicContact CG-CG2 4.2Å |
| 473 | I | 80.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.6 | -176.3 | -44.2 | 178.2 | 0 | 0 | 0 | 107.2 | R448 G449 I451 K475 I477 W534 | R448-I473 CarbonylContact C-O 3.53Å; R448-I473 WeakPolarHBondContact CA-O 3.17Å; R448-I473 WeakPolarHBondContact CB-O 3.11Å; G449-I473 PolarHBondContact N-O 2.86Å; G449-I473 PolarHBondContact O-N 3.27Å; I451-I473 HydrophobicContact CD1-CD1 4.28Å; I451-I473 HydrophobicContact CG1-CD1 4.45Å; I473-K475 PolarHBondContact O-N 2.99Å; I473-I477 HydrophobicContact CD1-CD1 3.8Å; I473-I477 HydrophobicContact CD1-CG1 3.75Å; I473-W534 HydrophobicContact CD1-CZ2 3.67Å; I473-W534 HydrophobicContact CG1-CH2 4.25Å; I473-W534 HydrophobicContact CG1-CZ2 3.83Å |
| 474 | D | 75.6 | Confident | 80.7 | Confident | 111 Ų | 111 | 38 Ų | 38 | 59% | 0.594 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.6 | -8 | -177.6 | -65.9 | -51 | 0 | 0 | 0 | 114.8 | R448 | R448-D474 IonicContact CZ-OD1 2.7Å; R448-D474 IonicContact NE-OD1 3.19Å; R448-D474 IonicContact NH1-OD1 3.2Å; R448-D474 PolarHBondContact NH1-OD1 3.47Å; R448-D474 IonicContact NH2-OD1 2.87Å; R448-D474 PolarHBondContact NH2-OD1 2.86Å |
| 475 | K | 75.6 | Confident | 80 | Confident | 46 Ų | 46 | 34.5 Ų | 34.5 | 20% | 0.2 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -114.8 | 151.5 | 177.6 | -63.1 | 171.8 | -177.1 | 169.8 | 0 | 110.4 | G449 I473 S528 S529 E530 | G449-K475 VanDerWaalsContact CA-O 3.22Å; G449-K475 WeakPolarHBondContact CA-O 3.42Å; G449-K475 PolarHBondContact N-O 3.32Å; I473-K475 PolarHBondContact O-N 2.99Å; K475-S528 WeakPolarHBondContact CE-O 3.48Å; K475-S528 PolarHBondContact NZ-O 2.82Å; K475-S529 PolarHBondContact NZ-O 3.11Å; K475-E530 HydrophobicContact CD-CB 3.9Å; K475-E530 WeakPolarHBondContact CE-OE2 3.46Å; K475-E530 IonicContact NZ-OE2 3.55Å; K475-E530 PolarHBondContact NZ-OE2 3.26Å |
| 476 | T | 76.2 | Confident | 78.9 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | trans | -70.6 | 136 | 177.7 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | M443 S447 S478 S503 N506 | M443-T476 HydrophobicContact CE-CG2 3.65Å; M443-T476 HydrophobicContact CG-CG2 3.99Å; M443-T476 HydrophobicContact SD-CG2 3.56Å; M443-T476 VanDerWaalsContact SD-CG2 3.56Å; S447-T476 WeakPolarHBondContact O-CG2 3.26Å; T476-S478 PolarHBondContact O-N 3.22Å; T476-S503 VanDerWaalsContact O-CA 3.28Å; T476-S503 WeakPolarHBondContact O-CA 3.27Å; T476-S503 WeakPolarHBondContact O-CB 3.37Å; T476-N506 WeakPolarHBondContact CG2-OD1 3.45Å; T476-N506 PolarHBondContact OG1-OD1 3.19Å | ||
| 477 | I | 80.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.8 | 172.1 | -62.1 | 164.3 | 0 | 0 | 0 | 107.3 | K427 Y441 M450 I451 I473 C479 T501 V502 | K427-I477 WeakPolarHBondContact CD-O 3.1Å; K427-I477 PolarHBondContact NZ-O 2.78Å; Y441-I477 HydrophobicContact CD2-CB 4.32Å; Y441-I477 HydrophobicContact CD2-CG2 3.57Å; Y441-I477 HydrophobicContact CE2-CG2 4.15Å; Y441-I477 HydrophobicContact CG-CG2 4.37Å; M450-I477 VanDerWaalsContact O-CD1 3.23Å; M450-I477 WeakPolarHBondContact O-CD1 3.5Å; I451-I477 HydrophobicContact CG1-CD1 3.76Å; I473-I477 HydrophobicContact CD1-CD1 3.8Å; I473-I477 HydrophobicContact CD1-CG1 3.75Å; I477-C479 VanDerWaalsContact CG2-O 3.3Å; I477-C479 WeakPolarHBondContact CG2-O 3.18Å; I477-T501 HydrophobicContact CD1-CG2 4.19Å; I477-V502 WeakPolarHBondContact CA-O 3.36Å |
| 478 | S | 78.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 39.5 Ų | 39.5 | 24% | 0.238 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -40.2 | 168.1 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | T476 V502 F584 V585 | T476-S478 PolarHBondContact O-N 3.22Å; S478-V502 PolarHBondContact N-O 2.88Å; S478-V502 PolarHBondContact OG-O 3.25Å; S478-F584 WeakPolarHBondContact CB-O 3.49Å; S478-F584 PolarHBondContact OG-O 3.16Å; S478-V585 WeakPolarHBondContact CB-O 3.19Å |
| 479 | C | 81 | Confident | 74.7 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157.6 | 179.7 | -165.3 | 0 | 0 | 0 | 0 | 113.1 | I477 V502 C587 | I477-C479 VanDerWaalsContact CG2-O 3.3Å; I477-C479 WeakPolarHBondContact CG2-O 3.18Å; C479-V502 PolarHBondContact N-O 3.27Å; C479-V502 PolarHBondContact O-N 3.22Å; C479-C587 PolarHBondContact SG-N 3.46Å; C479-C587 VanDerWaalsContact SG-SG 3.65Å |
| 480 | F | 86.8 | Confident | 73.4 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.7 | -179.3 | 176 | -78.4 | 0 | 0 | 0 | 108.4 | C430 I439 Y441 I451 L482 F499 A500 T501 | C430-F480 HydrophobicContact CB-CD1 4.05Å; C430-F480 HydrophobicContact CB-CE1 3.77Å; I439-F480 HydrophobicContact CB-CZ 4.05Å; I439-F480 HydrophobicContact CD1-CZ 3.99Å; I439-F480 HydrophobicContact CG2-CE1 4.44Å; I439-F480 HydrophobicContact CG2-CE2 3.63Å; I439-F480 HydrophobicContact CG2-CZ 3.55Å; Y441-F480 HydrophobicContact CD1-CB 3.35Å; Y441-F480 HydrophobicContact CD1-CD1 4.4Å; Y441-F480 HydrophobicContact CD1-CD2 4.23Å; Y441-F480 AromaticContact CD1-CG 3.77Å; Y441-F480 HydrophobicContact CD1-CG 3.77Å; Y441-F480 HydrophobicContact CD2-CB 4.09Å; Y441-F480 HydrophobicContact CE1-CB 3.49Å; Y441-F480 VanDerWaalsContact CE1-CB 3.49Å; Y441-F480 HydrophobicContact CE1-CG 4.22Å; Y441-F480 HydrophobicContact CE2-CB 4.21Å; Y441-F480 HydrophobicContact CG-CB 3.67Å; Y441-F480 HydrophobicContact CG-CD2 4.38Å; Y441-F480 HydrophobicContact CG-CG 4.24Å; I451-F480 HydrophobicContact CG2-CE2 4.13Å; F480-L482 HydrophobicContact CE1-CB 4.22Å; F480-F499 HydrophobicContact CD2-CD2 4.37Å; F480-F499 HydrophobicContact CE1-CB 4.15Å; F480-F499 HydrophobicContact CE2-CB 3.97Å; F480-F499 HydrophobicContact CE2-CD1 4.5Å; F480-F499 AromaticContact CE2-CD2 3.4Å; F480-F499 HydrophobicContact CE2-CD2 3.4Å; F480-F499 VanDerWaalsContact CE2-CD2 3.4Å; F480-F499 AromaticContact CE2-CE2 3.93Å; F480-F499 HydrophobicContact CE2-CE2 3.93Å; F480-F499 AromaticContact CE2-CG 3.74Å; F480-F499 HydrophobicContact CE2-CG 3.74Å; F480-F499 HydrophobicContact CZ-CB 3.5Å; F480-F499 HydrophobicContact CZ-CD1 4.14Å; F480-F499 AromaticContact CZ-CD2 3.78Å; F480-F499 HydrophobicContact CZ-CD2 3.78Å; F480-F499 HydrophobicContact CZ-CE2 4.5Å; F480-F499 AromaticContact CZ-CG 3.57Å; F480-F499 HydrophobicContact CZ-CG 3.57Å; F480-A500 WeakPolarHBondContact CA-O 3.44Å; F480-T501 HydrophobicContact CD2-CG2 3.74Å; F480-T501 HydrophobicContact CE2-CG2 4.4Å |
| 481 | C | 83.6 | Confident | 71.7 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.3 | 175.9 | -135.4 | 0 | 0 | 0 | 0 | 110.4 | L483 F499 A500 I589 L607 | C481-L483 PolarHBondContact O-N 3.39Å; C481-F499 CarbonylContact O-C 3.52Å; C481-F499 VanDerWaalsContact O-CA 3.3Å; C481-F499 WeakPolarHBondContact O-CA 3.16Å; C481-F499 WeakPolarHBondContact O-CB 3.05Å; C481-A500 HydrophobicContact CB-CB 4.42Å; C481-A500 PolarHBondContact N-O 3.42Å; C481-A500 PolarHBondContact O-N 2.79Å; C481-I589 HydrophobicContact CB-CD1 4.02Å; C481-I589 HydrophobicContact CB-CG1 4.3Å; C481-I589 WeakPolarHBondContact SG-CD1 3.32Å; C481-L607 HydrophobicContact CB-CD1 3.98Å |
| 482 | L | 83.1 | Confident | 70.2 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 118.6 | 175.2 | -178.2 | 72.4 | 0 | 0 | 0 | 109.3 | C430 M431 D433 I439 F480 I497 F499 I589 | C430-L482 VanDerWaalsContact SG-CB 3.52Å; M431-L482 WeakPolarHBondContact O-CD2 3.41Å; D433-L482 WeakPolarHBondContact OD1-CD2 3.43Å; I439-L482 HydrophobicContact CD1-CD1 4.09Å; F480-L482 HydrophobicContact CE1-CB 4.22Å; L482-I497 HydrophobicContact CD1-CG2 3.46Å; L482-I497 VanDerWaalsContact CD1-CG2 3.46Å; L482-F499 HydrophobicContact CD1-CB 4.44Å; L482-I589 WeakPolarHBondContact O-CD1 3.4Å |
| 483 | L | 79 | Confident | 68.7 | Low | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.9 | -177.6 | -63.9 | 174.8 | 0 | 0 | 0 | 108.7 | C481 D485 R498 L533 I589 L607 L621 | C481-L483 PolarHBondContact O-N 3.39Å; L483-D485 PolarHBondContact O-N 3.15Å; L483-R498 HydrophobicContact CB-CB 3.64Å; L483-R498 HydrophobicContact CD1-CB 3.93Å; L483-R498 HydrophobicContact CG-CB 4.34Å; L483-R498 PolarHBondContact N-O 2.82Å; L483-L533 HydrophobicContact CD1-CD2 4.38Å; L483-I589 HydrophobicContact CD2-CD1 3.71Å; L483-I589 HydrophobicContact CD2-CG1 3.69Å; L483-L607 HydrophobicContact CD2-CD1 4.48Å; L483-L621 HydrophobicContact CD1-CD1 4.01Å; L483-L621 HydrophobicContact CD1-CD2 4.04Å; L483-L621 HydrophobicContact CD2-CD1 3.47Å; L483-L621 VanDerWaalsContact CD2-CD1 3.47Å; L483-L621 HydrophobicContact CD2-CD2 4.33Å; L483-L621 HydrophobicContact CG-CD1 4.29Å |
| 484 | P | 70.3 | Confident | 67.4 | Low | 32 Ų | 32 | 63.1 Ų | 63.1 | 21% | 0.208 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 136.7 | -177.4 | 25.5 | -35 | 0 | 0 | 0 | 111.3 | R498 Y605 | P484-R498 PolarHBondContact O-NH2 3.14Å; P484-Y605 HydrophobicContact CB-CE1 4.35Å; P484-Y605 HydrophobicContact CG-CD1 3.57Å; P484-Y605 HydrophobicContact CG-CD2 4.06Å; P484-Y605 HydrophobicContact CG-CE1 3.36Å; P484-Y605 HydrophobicContact CG-CE2 3.88Å; P484-Y605 HydrophobicContact CG-CG 3.92Å |
| 485 | D | 65.1 | Low | 67.1 | Low | 16 Ų | 16 | 59.4 Ų | 59.4 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | trans | -100.1 | 108.6 | 179 | -74.9 | -51.6 | 0 | 0 | 0 | 110.6 | L483 Y487 F496 I497 R498 | L483-D485 PolarHBondContact O-N 3.15Å; D485-Y487 HydrophobicContact CB-CE2 4.06Å; D485-Y487 WeakPolarHBondContact O-CD2 3.23Å; D485-Y487 WeakPolarHBondContact O-CE2 3.33Å; D485-Y487 PolarHBondContact O-N 2.77Å; D485-F496 VanDerWaalsContact OD1-CE2 3.27Å; D485-F496 WeakPolarHBondContact OD1-CE2 3.24Å; D485-I497 VanDerWaalsContact OD2-CA 3.22Å; D485-I497 WeakPolarHBondContact OD2-CA 3.43Å; D485-R498 IonicContact OD1-CZ 2.67Å; D485-R498 IonicContact OD1-NE 3.67Å; D485-R498 PolarHBondContact OD1-NE 3.2Å; D485-R498 IonicContact OD1-NH2 2.65Å; D485-R498 PolarHBondContact OD1-NH2 3.04Å; D485-R498 PolarHBondContact OD2-N 2.83Å | ||
| 486 | Y | 57.2 | Low | 67.1 | Low | 99 Ų | 99 | 58.5 Ų | 58.5 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | trans | -75.5 | 104.1 | -175.5 | 176.2 | -100.9 | 0 | 0 | 0 | 110.7 | Q488 | Y486-Q488 HydrophobicContact CD1-CG 4.15Å; Y486-Q488 HydrophobicContact CE1-CG 3.35Å; Y486-Q488 PolarHBondContact OH-NE2 3.04Å | ||
| 487 | Y | 53.9 | Low | 67.3 | Low | 83 Ų | 83 | 58.1 Ų | 58.1 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | trans | -92.4 | 108.9 | 174.8 | -60.4 | -77.1 | 0 | 0 | 0 | 110.2 | D485 P493 | D485-Y487 HydrophobicContact CB-CE2 4.06Å; D485-Y487 WeakPolarHBondContact O-CD2 3.23Å; D485-Y487 WeakPolarHBondContact O-CE2 3.33Å; D485-Y487 PolarHBondContact O-N 2.77Å; Y487-P493 HydrophobicContact CD1-CB 3.54Å; Y487-P493 HydrophobicContact CE1-CB 3.51Å | ||
| 488 | Q | 52.2 | Low | 67.3 | Low | 56 Ų | 56 | 60.9 Ų | 60.9 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | trans | -70.8 | 138.4 | 159.8 | -60.4 | -152.5 | -32.9 | 0 | 0 | 108.6 | Y486 N490 D491 | Y486-Q488 HydrophobicContact CD1-CG 4.15Å; Y486-Q488 HydrophobicContact CE1-CG 3.35Å; Y486-Q488 PolarHBondContact OH-NE2 3.04Å; Q488-N490 PolarHBondContact O-N 3.33Å; Q488-D491 HydrophobicContact CB-CB 4.09Å; Q488-D491 PolarHBondContact O-N 2.89Å | ||
| 489 | Q | 53 | Low | 67.6 | Low | 198 Ų | 198 | 59.2 Ų | 59.2 | 93% | 0.925 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -14.5 | -171.4 | -153.8 | 168.1 | 15.9 | 0 | 0 | 114.1 | ||
| 490 | N | 56.3 | Low | 67.8 | Low | 160 Ų | 160 | 58.5 Ų | 58.5 | 86% | 0.856 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -11.8 | 176.5 | -62.8 | -18.9 | 0 | 0 | 0 | 113.8 | Q488 | Q488-N490 PolarHBondContact O-N 3.33Š|
| 491 | D | 50.1 | Low | 67.8 | Low | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -77.9 | 131.3 | 174.5 | -84.6 | -29.5 | 0 | 0 | 0 | 108.7 | Q488 P493 | Q488-D491 HydrophobicContact CB-CB 4.09Å; Q488-D491 PolarHBondContact O-N 2.89Å; D491-P493 WeakPolarHBondContact O-CD 3.42Å; D491-P493 VanDerWaalsContact O-N 3.13Å |
| 492 | I | 52.3 | Low | 67.8 | Low | 156 Ų | 156 | 57 Ų | 57 | 80% | 0.8 | 28% | 0.284 | S | S | * | . | trans | -57.8 | 120.8 | 171.8 | -60.1 | 173 | 0 | 0 | 0 | 106.7 | D494 | I492-D494 PolarHBondContact O-N 3.4Š| ||
| 493 | P | 51 | Low | 67.6 | Low | 45 Ų | 45 | 56.2 Ų | 56.2 | 29% | 0.292 | 28% | 0.28 | S | S | . | . | trans | -63.8 | 96.6 | -169.3 | 22.8 | -33.8 | 0 | 0 | 0 | 110.6 | Y487 D491 S495 | Y487-P493 HydrophobicContact CD1-CB 3.54Å; Y487-P493 HydrophobicContact CE1-CB 3.51Å; D491-P493 WeakPolarHBondContact O-CD 3.42Å; D491-P493 VanDerWaalsContact O-N 3.13Å; P493-S495 PolarHBondContact O-N 2.62Å | ||
| 494 | D | 54.7 | Low | 67.4 | Low | 97 Ų | 97 | 56.2 Ų | 56.2 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | trans | -64.7 | 118.5 | -171.2 | -173.4 | 13.1 | 0 | 0 | 0 | 108.4 | I492 F496 R535 | I492-D494 PolarHBondContact O-N 3.4Å; D494-F496 VanDerWaalsContact C-CD1 3.49Å; D494-F496 HydrophobicContact CB-CD1 4.27Å; D494-F496 HydrophobicContact CB-CE1 3.67Å; D494-F496 VanDerWaalsContact CG-CE1 3.45Å; D494-F496 WeakPolarHBondContact O-CD1 3.32Å; D494-F496 VanDerWaalsContact O-CE1 3.26Å; D494-F496 WeakPolarHBondContact O-CE1 3.39Å; D494-F496 PolarHBondContact O-N 2.74Å; D494-F496 VanDerWaalsContact OD2-CE1 3.3Å; D494-F496 WeakPolarHBondContact OD2-CE1 3.44Å; D494-R535 IonicContact OD2-NH2 2.73Å; D494-R535 PolarHBondContact OD2-NH2 3.38Å | ||
| 495 | S | 69 | Low | 67.2 | Low | 33 Ų | 33 | 56.7 Ų | 56.7 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | trans | -88.3 | 78.7 | -142.9 | 63 | 0 | 0 | 0 | 0 | 112.5 | P493 K537 Y538 | P493-S495 PolarHBondContact O-N 2.62Å; S495-K537 CarbonylContact O-C 3.6Å; S495-K537 WeakPolarHBondContact O-CA 3.34Å; S495-Y538 VanDerWaalsContact CB-O 3.29Å; S495-Y538 WeakPolarHBondContact CB-O 3.37Å; S495-Y538 PolarHBondContact O-N 3.3Å; S495-Y538 PolarHBondContact OG-O 2.83Å | ||
| 496 | F | 74.5 | Confident | 66.8 | Low | 27 Ų | 27 | 59.9 Ų | 59.9 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 158.3 | 178.9 | 57.7 | -93.3 | 0 | 0 | 0 | 112.9 | D485 D494 R498 R535 F536 K537 | D485-F496 VanDerWaalsContact OD1-CE2 3.27Å; D485-F496 WeakPolarHBondContact OD1-CE2 3.24Å; D494-F496 VanDerWaalsContact C-CD1 3.49Å; D494-F496 HydrophobicContact CB-CD1 4.27Å; D494-F496 HydrophobicContact CB-CE1 3.67Å; D494-F496 VanDerWaalsContact CG-CE1 3.45Å; D494-F496 WeakPolarHBondContact O-CD1 3.32Å; D494-F496 VanDerWaalsContact O-CE1 3.26Å; D494-F496 WeakPolarHBondContact O-CE1 3.39Å; D494-F496 PolarHBondContact O-N 2.74Å; D494-F496 VanDerWaalsContact OD2-CE1 3.3Å; D494-F496 WeakPolarHBondContact OD2-CE1 3.44Å; F496-R498 HydrophobicContact CD2-CG 3.82Å; F496-R498 HydrophobicContact CE2-CG 3.86Å; F496-R535 HydrophobicContact CB-CG 3.87Å; F496-R535 VanDerWaalsContact CD1-NE 3.31Å; F496-R535 HydrophobicContact CD2-CG 3.97Å; F496-R535 HydrophobicContact CG-CG 3.93Å; F496-R535 VanDerWaalsContact CG-NE 3.32Å; F496-F536 CarbonylContact C-O 3.58Å; F496-F536 WeakPolarHBondContact CA-O 3.44Å; F496-F536 WeakPolarHBondContact CB-O 3.16Å; F496-K537 HydrophobicContact CB-CB 4.47Å; F496-K537 HydrophobicContact CB-CG 4.11Å |
| 497 | I | 80.1 | Confident | 66.5 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 162.6 | -57.7 | -175.3 | 0 | 0 | 0 | 107.5 | F437 L482 D485 F499 R535 F536 Y538 | F437-I497 HydrophobicContact CB-CD1 4.33Å; F437-I497 HydrophobicContact CD2-CD1 3.42Å; F437-I497 VanDerWaalsContact CD2-CD1 3.42Å; F437-I497 HydrophobicContact CE2-CD1 3.95Å; F437-I497 HydrophobicContact CG-CD1 4.09Å; L482-I497 HydrophobicContact CD1-CG2 3.46Å; L482-I497 VanDerWaalsContact CD1-CG2 3.46Å; D485-I497 VanDerWaalsContact OD2-CA 3.22Å; D485-I497 WeakPolarHBondContact OD2-CA 3.43Å; I497-F499 HydrophobicContact CG2-CD1 4.22Å; I497-R535 CarbonylContact O-C 3.46Å; I497-R535 WeakPolarHBondContact O-CA 3.37Å; I497-F536 HydrophobicContact CB-CB 4.37Å; I497-F536 HydrophobicContact CB-CD1 4.13Å; I497-F536 HydrophobicContact CD1-CD1 4.22Å; I497-F536 HydrophobicContact CG1-CD1 4.16Å; I497-F536 PolarHBondContact N-O 2.86Å; I497-F536 PolarHBondContact O-N 2.78Å; I497-Y538 HydrophobicContact CD1-CE1 4.48Å; I497-Y538 HydrophobicContact CG1-CD1 4.16Å; I497-Y538 HydrophobicContact CG1-CE1 3.71Å |
| 498 | R | 82.1 | Confident | 65.8 | Low | 58 Ų | 58 | 61 Ų | 61 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 147.3 | 167.5 | -74.7 | 175.7 | -64.2 | 156.1 | 9.8 | 111.2 | L483 P484 D485 F496 W534 R535 | L483-R498 HydrophobicContact CB-CB 3.64Å; L483-R498 HydrophobicContact CD1-CB 3.93Å; L483-R498 HydrophobicContact CG-CB 4.34Å; L483-R498 PolarHBondContact N-O 2.82Å; P484-R498 PolarHBondContact O-NH2 3.14Å; D485-R498 IonicContact OD1-CZ 2.67Å; D485-R498 IonicContact OD1-NE 3.67Å; D485-R498 PolarHBondContact OD1-NE 3.2Å; D485-R498 IonicContact OD1-NH2 2.65Å; D485-R498 PolarHBondContact OD1-NH2 3.04Å; D485-R498 PolarHBondContact OD2-N 2.83Å; F496-R498 HydrophobicContact CD2-CG 3.82Å; F496-R498 HydrophobicContact CE2-CG 3.86Å; R498-W534 WeakPolarHBondContact CA-O 3.44Å; R498-R535 HydrophobicContact CG-CB 4.36Å; R498-R535 HydrophobicContact CG-CG 4.21Å |
| 499 | F | 84.5 | Confident | 65.1 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162.2 | 169.5 | 49 | -97.4 | 0 | 0 | 0 | 111.2 | I439 I451 F480 C481 L482 I497 W534 F536 L563 | I439-F499 HydrophobicContact CD1-CD1 3.84Å; I439-F499 HydrophobicContact CD1-CE1 3.88Å; I451-F499 HydrophobicContact CD1-CD2 4.48Å; I451-F499 HydrophobicContact CD1-CE2 3.78Å; I451-F499 HydrophobicContact CG2-CE2 3.9Å; I451-F499 HydrophobicContact CG2-CZ 4.11Å; F480-F499 HydrophobicContact CD2-CD2 4.37Å; F480-F499 HydrophobicContact CE1-CB 4.15Å; F480-F499 HydrophobicContact CE2-CB 3.97Å; F480-F499 HydrophobicContact CE2-CD1 4.5Å; F480-F499 AromaticContact CE2-CD2 3.4Å; F480-F499 HydrophobicContact CE2-CD2 3.4Å; F480-F499 VanDerWaalsContact CE2-CD2 3.4Å; F480-F499 AromaticContact CE2-CE2 3.93Å; F480-F499 HydrophobicContact CE2-CE2 3.93Å; F480-F499 AromaticContact CE2-CG 3.74Å; F480-F499 HydrophobicContact CE2-CG 3.74Å; F480-F499 HydrophobicContact CZ-CB 3.5Å; F480-F499 HydrophobicContact CZ-CD1 4.14Å; F480-F499 AromaticContact CZ-CD2 3.78Å; F480-F499 HydrophobicContact CZ-CD2 3.78Å; F480-F499 HydrophobicContact CZ-CE2 4.5Å; F480-F499 AromaticContact CZ-CG 3.57Å; F480-F499 HydrophobicContact CZ-CG 3.57Å; C481-F499 CarbonylContact O-C 3.52Å; C481-F499 VanDerWaalsContact O-CA 3.3Å; C481-F499 WeakPolarHBondContact O-CA 3.16Å; C481-F499 WeakPolarHBondContact O-CB 3.05Å; L482-F499 HydrophobicContact CD1-CB 4.44Å; I497-F499 HydrophobicContact CG2-CD1 4.22Å; F499-W534 HydrophobicContact CD2-CB 3.45Å; F499-W534 VanDerWaalsContact CD2-CB 3.45Å; F499-W534 AromaticContact CD2-CD1 3.72Å; F499-W534 AromaticContact CD2-CG 3.67Å; F499-W534 HydrophobicContact CD2-CG 3.67Å; F499-W534 HydrophobicContact CE2-CB 3.36Å; F499-W534 AromaticContact CE2-CD1 3.83Å; F499-W534 AromaticContact CE2-CD2 3.98Å; F499-W534 HydrophobicContact CE2-CD2 3.98Å; F499-W534 AromaticContact CE2-CG 3.45Å; F499-W534 HydrophobicContact CE2-CG 3.45Å; F499-W534 VanDerWaalsContact CE2-CG 3.45Å; F499-W534 HydrophobicContact CG-CB 4.1Å; F499-W534 HydrophobicContact CZ-CB 3.98Å; F499-W534 HydrophobicContact CZ-CG 4.38Å; F499-W534 PolarHBondContact N-O 2.79Å; F499-W534 VanDerWaalsContact N-O 3.08Å; F499-W534 WeakPolarHBondContact O-CA 3.4Å; F499-W534 WeakPolarHBondContact O-CB 3.22Å; F499-W534 PolarHBondContact O-N 3.15Å; F499-F536 HydrophobicContact CE1-CB 3.97Å; F499-L563 HydrophobicContact CE1-CD1 4.15Å; F499-L563 HydrophobicContact CE2-CD1 4.09Å; F499-L563 HydrophobicContact CZ-CD1 3.45Å; F499-L563 VanDerWaalsContact CZ-CD1 3.45Å; F499-L563 HydrophobicContact CZ-CD2 4.22Å |
| 500 | A | 85.5 | Confident | 64.3 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F480 C481 L533 L607 | F480-A500 WeakPolarHBondContact CA-O 3.44Å; C481-A500 HydrophobicContact CB-CB 4.42Å; C481-A500 PolarHBondContact N-O 3.42Å; C481-A500 PolarHBondContact O-N 2.79Å; A500-L533 HydrophobicContact CB-CD2 3.77Å; A500-L607 HydrophobicContact CB-CD1 3.66Å; A500-L607 HydrophobicContact CB-CD2 3.5Å; A500-L607 VanDerWaalsContact CB-CD2 3.5Å; A500-L607 HydrophobicContact CB-CG 4.21Å |
| 501 | T | 85.9 | Confident | 63.4 | Low | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.2 | 164.3 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | I451 I477 F480 R532 W534 | I451-T501 HydrophobicContact CD1-CG2 3.38Å; I451-T501 HydrophobicContact CG1-CG2 4.03Å; I477-T501 HydrophobicContact CD1-CG2 4.19Å; F480-T501 HydrophobicContact CD2-CG2 3.74Å; F480-T501 HydrophobicContact CE2-CG2 4.4Å; T501-R532 PolarHBondContact N-O 3.34Å; T501-R532 PolarHBondContact O-N 3.41Å; T501-W534 PolarHBondContact OG1-NE1 3.05Å |
| 502 | V | 83.3 | Confident | 62.4 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.5 | -178.3 | 168.7 | 0 | 0 | 0 | 0 | 108.8 | I477 S478 C479 I531 F584 C587 V609 | I477-V502 WeakPolarHBondContact CA-O 3.36Å; S478-V502 PolarHBondContact N-O 2.88Å; S478-V502 PolarHBondContact OG-O 3.25Å; C479-V502 PolarHBondContact N-O 3.27Å; C479-V502 PolarHBondContact O-N 3.22Å; V502-I531 HydrophobicContact CG2-CG1 4.42Å; V502-I531 HydrophobicContact CG2-CG2 4.46Å; V502-F584 HydrophobicContact CG1-CB 3.18Å; V502-F584 HydrophobicContact CG1-CD2 4.23Å; V502-F584 HydrophobicContact CG1-CG 4.02Å; V502-C587 HydrophobicContact CB-CB 4.5Å; V502-C587 HydrophobicContact CG2-CB 3.73Å; V502-C587 VanDerWaalsContact CG2-SG 3.54Å; V502-V609 HydrophobicContact CB-CG1 4.27Å; V502-V609 HydrophobicContact CG1-CG1 3.53Å; V502-V609 HydrophobicContact CG2-CB 4.36Å; V502-V609 HydrophobicContact CG2-CG1 3.67Å; V502-V609 HydrophobicContact CG2-CG2 3.74Å |
| 503 | S | 80.6 | Confident | 61.5 | Low | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.6 | -176.8 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | T476 S529 E530 | T476-S503 VanDerWaalsContact O-CA 3.28Å; T476-S503 WeakPolarHBondContact O-CA 3.27Å; T476-S503 WeakPolarHBondContact O-CB 3.37Å; S503-S529 WeakPolarHBondContact O-CA 3.4Å; S503-S529 VanDerWaalsContact O-CB 3.23Å; S503-S529 WeakPolarHBondContact O-CB 3.15Å; S503-E530 PolarHBondContact N-O 2.73Å; S503-E530 PolarHBondContact O-N 3.17Å; S503-E530 WeakPolarHBondContact OG-CB 3.36Å; S503-E530 PolarHBondContact OG-N 2.77Å; S503-E530 PolarHBondContact OG-O 3.04Å |
| 504 | G | 73.3 | Confident | 60.6 | Low | 6 Ų | 6 | 71.4 Ų | 71.4 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | trans | -87.1 | -167.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N583 F584 | G504-N583 VanDerWaalsContact CA-OD1 3.32Å; G504-N583 WeakPolarHBondContact CA-OD1 3.45Å; G504-F584 VanDerWaalsContact CA-O 3.31Å; G504-F584 WeakPolarHBondContact CA-O 3.13Å; G504-F584 PolarHBondContact N-O 2.88Å | ||
| 505 | L | 67 | Low | 59.7 | Low | 43 Ų | 43 | 73.4 Ų | 73.4 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | trans | -83.3 | 124.9 | 164.9 | -60.9 | -179.7 | 0 | 0 | 0 | 108.5 | T507 T527 N583 | L505-T507 PolarHBondContact O-N 3.27Å; L505-T527 WeakPolarHBondContact CD2-O 3.16Å; L505-N583 HydrophobicContact CB-CB 4.27Å; L505-N583 HydrophobicContact CD1-CB 4.01Å; L505-N583 HydrophobicContact CG-CB 3.94Å; L505-N583 PolarHBondContact N-OD1 3.11Å | ||
| 506 | N | 56.7 | Low | 58.2 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -69.7 | 97.5 | 172.2 | -70.2 | 1.5 | 0 | 0 | 0 | 109.1 | T476 | T476-N506 WeakPolarHBondContact CG2-OD1 3.45Å; T476-N506 PolarHBondContact OG1-OD1 3.19Å | ||
| 507 | T | 50.2 | Low | 56.8 | Low | 129 Ų | 129 | 80.2 Ų | 80.2 | 79% | 0.791 | 43% | 0.426 | S | S | * | . | trans | -90.2 | -0.4 | 175.4 | 57 | 0 | 0 | 0 | 0 | 113.6 | L505 | L505-T507 PolarHBondContact O-N 3.27Š| ||
| 508 | S | 40.7 | Very low | 54.9 | Low | 77 Ų | 77 | 86.8 Ų | 86.8 | 54% | 0.538 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -105 | 148.9 | 175 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 509 | H | 37 | Very low | 52.7 | Low | 120 Ų | 120 | 94.6 Ų | 94.6 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | trans | 80.7 | 23.2 | 178.6 | -49.8 | -76 | 0 | 0 | 0 | 118.8 | T511 | H509-T511 PolarHBondContact O-N 3.38Š| ||
| 510 | D | 34.8 | Very low | 50.4 | Low | 170 Ų | 170 | 102.8 Ų | 102.8 | 91% | 0.909 | 52% | 0.523 | S | S | * | . | trans | -69.7 | 22.9 | 161.9 | -104.8 | -3 | 0 | 0 | 0 | 113.4 | ||||
| 511 | T | 37.4 | Very low | 48.2 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | trans | -114.8 | 38.5 | -177.1 | 62 | 0 | 0 | 0 | 0 | 112.3 | H509 | H509-T511 PolarHBondContact O-N 3.38Š| ||
| 512 | M | 30.6 | Very low | 45.9 | Very low | 150 Ų | 150 | 115.3 Ų | 115.3 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -114.6 | 134.4 | 163.9 | -68.3 | -156.7 | 86.3 | 0 | 0 | 110.4 | W514 | M512-W514 PolarHBondContact O-N 2.68Š|
| 513 | D | 33.2 | Very low | 43.5 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | trans | -72.5 | 91.3 | -167 | -63.5 | -76.2 | 0 | 0 | 0 | 113.8 | N515 | D513-N515 PolarHBondContact O-N 2.81Š| ||
| 514 | W | 32 | Very low | 41.3 | Very low | 221 Ų | 221 | 131 Ų | 131 | 84% | 0.837 | 67% | 0.672 | S | S | * | * | trans | -74.5 | 55.2 | 169.5 | -74.7 | 94.9 | 0 | 0 | 0 | 113.1 | M512 I516 | M512-W514 PolarHBondContact O-N 2.68Å; W514-I516 PolarHBondContact O-N 2.53Å; W514-I516 VanDerWaalsContact O-N 3.1Å | ||
| 515 | N | 36.5 | Very low | 40.1 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | -73 | 94.3 | 166.6 | -82.6 | -44.9 | 0 | 0 | 0 | 110.2 | D513 | D513-N515 PolarHBondContact O-N 2.81Š| ||
| 516 | I | 37.1 | Very low | 39.1 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | 177.8 | 117.9 | 144.6 | -89.9 | 148.1 | 0 | 0 | 0 | 106.7 | W514 D518 | W514-I516 PolarHBondContact O-N 2.53Å; W514-I516 VanDerWaalsContact O-N 3.1Å; I516-D518 VanDerWaalsContact C-N 3.32Å; I516-D518 PolarHBondContact O-N 3.12Å | ||
| 517 | A | 44.1 | Very low | 39.1 | Very low | 70 Ų | 70 | 144.8 Ų | 144.8 | 58% | 0.579 | 74% | 0.74 | S | S | * | * | trans | -74.5 | -18.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R519 Y520 | A517-R519 PolarHBondContact O-N 3.06Å; A517-R519 VanDerWaalsContact O-N 3.15Å; A517-Y520 WeakPolarHBondContact O-CD2 3.32Å | ||
| 518 | D | 41.1 | Very low | 39.8 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 28.6 | -156.8 | -56.5 | -39.4 | 0 | 0 | 0 | 115.4 | I516 | I516-D518 VanDerWaalsContact C-N 3.32Å; I516-D518 PolarHBondContact O-N 3.12Å |
| 519 | R | 35 | Very low | 41.7 | Very low | 222 Ų | 222 | 136.6 Ų | 136.6 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 9 | 167.7 | -67.7 | -169 | 179.6 | -175.7 | 1.8 | 114.4 | A517 Q521 G522 | A517-R519 PolarHBondContact O-N 3.06Å; A517-R519 VanDerWaalsContact O-N 3.15Å; R519-Q521 PolarHBondContact O-N 2.85Å; R519-G522 PolarHBondContact O-N 2.89Å |
| 520 | Y | 36.1 | Very low | 43.8 | Very low | 173 Ų | 173 | 132 Ų | 132 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 10.4 | -164 | -102.3 | -80.4 | 0 | 0 | 0 | 118.2 | A517 | A517-Y520 WeakPolarHBondContact O-CD2 3.32Š|
| 521 | Q | 40.3 | Very low | 46.2 | Very low | 202 Ų | 202 | 124 Ų | 124 | 94% | 0.944 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -10.9 | 173 | -70.5 | -175 | -13 | 0 | 0 | 114.6 | R519 | R519-Q521 PolarHBondContact O-N 2.85Š|
| 522 | G | 36.3 | Very low | 48.4 | Very low | 65 Ų | 65 | 120.2 Ų | 120.2 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -36.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R519 | R519-G522 PolarHBondContact O-N 2.89Š|
| 523 | I | 34.5 | Very low | 51 | Low | 138 Ų | 138 | 113.4 Ų | 113.4 | 71% | 0.708 | 56% | 0.563 | S | S | * | * | trans | -138.1 | 64.8 | -162.7 | -42.8 | -178.5 | 0 | 0 | 0 | 112.5 | K525 | I523-K525 VanDerWaalsContact C-N 3.29Å; I523-K525 HydrophobicContact CG2-CD 4.42Å; I523-K525 HydrophobicContact CG2-CG 3.89Å; I523-K525 PolarHBondContact O-N 3.04Å; I523-K525 VanDerWaalsContact O-N 3.14Å | ||
| 524 | K | 34.3 | Very low | 53.4 | Low | 194 Ų | 194 | 107 Ų | 107 | 84% | 0.843 | 53% | 0.527 | S | S | * | . | trans | -75.3 | 86.8 | 152.2 | -79.6 | -169.5 | 175.2 | -174.5 | 0 | 108.3 | N526 | K524-N526 PolarHBondContact O-N 2.95Š| ||
| 525 | K | 46.4 | Very low | 55.9 | Low | 178 Ų | 178 | 100.2 Ų | 100.2 | 77% | 0.774 | 50% | 0.502 | S | S | * | . | trans | -67 | 114.3 | 167.8 | -91.5 | -178.2 | 177.9 | -175.3 | 0 | 108.2 | I523 T527 | I523-K525 VanDerWaalsContact C-N 3.29Å; I523-K525 HydrophobicContact CG2-CD 4.42Å; I523-K525 HydrophobicContact CG2-CG 3.89Å; I523-K525 PolarHBondContact O-N 3.04Å; I523-K525 VanDerWaalsContact O-N 3.14Å; K525-T527 PolarHBondContact O-N 3.34Å | ||
| 526 | N | 47 | Very low | 58.2 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 67% | 0.674 | 47% | 0.466 | S | S | * | . | trans | -63.9 | 100.3 | 179.4 | -70.2 | -29.6 | 0 | 0 | 0 | 110.5 | K524 S528 | K524-N526 PolarHBondContact O-N 2.95Å; N526-S528 VanDerWaalsContact C-N 3.33Å; N526-S528 PolarHBondContact O-N 3.13Å | ||
| 527 | T | 57.3 | Low | 60.3 | Low | 118 Ų | 118 | 91.2 Ų | 91.2 | 72% | 0.724 | 45% | 0.451 | S | S | * | . | trans | -73.5 | 86 | 168.4 | 40.9 | 0 | 0 | 0 | 0 | 109.2 | L505 K525 | L505-T527 WeakPolarHBondContact CD2-O 3.16Å; K525-T527 PolarHBondContact O-N 3.34Å | ||
| 528 | S | 64.4 | Low | 61.9 | Low | 33 Ų | 33 | 88.4 Ų | 88.4 | 23% | 0.231 | 43% | 0.426 | C | S | . | . | trans | -101.8 | 154.6 | 166.9 | 79.4 | 0 | 0 | 0 | 0 | 110.7 | K475 N526 | K475-S528 WeakPolarHBondContact CE-O 3.48Å; K475-S528 PolarHBondContact NZ-O 2.82Å; N526-S528 VanDerWaalsContact C-N 3.33Å; N526-S528 PolarHBondContact O-N 3.13Å | ||
| 529 | S | 79.4 | Confident | 63.1 | Low | 1 Ų | 1 | 82.9 Ų | 82.9 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | trans | -60.6 | 168.9 | 162.8 | 54 | 0 | 0 | 0 | 0 | 112 | K475 S503 L582 F584 | K475-S529 PolarHBondContact NZ-O 3.11Å; S503-S529 WeakPolarHBondContact O-CA 3.4Å; S503-S529 VanDerWaalsContact O-CB 3.23Å; S503-S529 WeakPolarHBondContact O-CB 3.15Å; S529-L582 WeakPolarHBondContact CB-O 3.38Å; S529-L582 PolarHBondContact OG-O 3.17Å; S529-F584 VanDerWaalsContact CB-CD2 3.45Å; S529-F584 VanDerWaalsContact OG-CE2 3.3Å; S529-F584 WeakPolarHBondContact OG-CE2 3.28Å | ||
| 530 | E | 82.9 | Confident | 64.3 | Low | 24 Ų | 24 | 74.8 Ų | 74.8 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 143.9 | -177.6 | 160.8 | 178.6 | 161.8 | 0 | 0 | 113 | K475 S503 R532 V567 | K475-E530 HydrophobicContact CD-CB 3.9Å; K475-E530 WeakPolarHBondContact CE-OE2 3.46Å; K475-E530 IonicContact NZ-OE2 3.55Å; K475-E530 PolarHBondContact NZ-OE2 3.26Å; S503-E530 PolarHBondContact N-O 2.73Å; S503-E530 PolarHBondContact O-N 3.17Å; S503-E530 WeakPolarHBondContact OG-CB 3.36Å; S503-E530 PolarHBondContact OG-N 2.77Å; S503-E530 PolarHBondContact OG-O 3.04Å; E530-R532 IonicContact OE1-CZ 2.7Å; E530-R532 IonicContact OE1-NE 2.69Å; E530-R532 PolarHBondContact OE1-NE 3.14Å; E530-R532 IonicContact OE1-NH2 2.83Å; E530-R532 PolarHBondContact OE1-NH2 2.8Å; E530-V567 HydrophobicContact CG-CG1 3.96Å; E530-V567 WeakPolarHBondContact OE1-CG2 3.47Å |
| 531 | I | 84.4 | Confident | 65.3 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.7 | 172.5 | -57.8 | 167.2 | 0 | 0 | 0 | 107.4 | V502 V568 F584 L607 V609 L617 V619 | V502-I531 HydrophobicContact CG2-CG1 4.42Å; V502-I531 HydrophobicContact CG2-CG2 4.46Å; I531-V568 HydrophobicContact CB-CB 4.14Å; I531-V568 HydrophobicContact CB-CG2 4.23Å; I531-V568 HydrophobicContact CG2-CB 4.3Å; I531-V568 HydrophobicContact CG2-CG2 3.85Å; I531-V568 PolarHBondContact O-N 2.79Å; I531-F584 HydrophobicContact CD1-CD2 4.48Å; I531-F584 HydrophobicContact CD1-CE2 4Å; I531-F584 HydrophobicContact CD1-CZ 4.1Å; I531-F584 HydrophobicContact CG1-CD2 3.87Å; I531-F584 HydrophobicContact CG1-CE2 3.64Å; I531-F584 HydrophobicContact CG1-CZ 4.26Å; I531-L607 HydrophobicContact CG2-CD2 3.76Å; I531-V609 HydrophobicContact CD1-CB 3.73Å; I531-V609 HydrophobicContact CD1-CG1 3.87Å; I531-V609 HydrophobicContact CD1-CG2 3.65Å; I531-V609 HydrophobicContact CG1-CB 4.27Å; I531-V609 HydrophobicContact CG1-CG1 3.96Å; I531-V609 HydrophobicContact CG1-CG2 4.01Å; I531-V609 HydrophobicContact CG2-CG2 4.22Å; I531-L617 HydrophobicContact CD1-CB 4.37Å; I531-L617 HydrophobicContact CD1-CD1 3.94Å; I531-V619 HydrophobicContact CD1-CG2 3.96Å |
| 532 | R | 83.9 | Confident | 66 | Low | 45 Ų | 45 | 63 Ų | 63 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.6 | -177.6 | -171.8 | -179.1 | -72.2 | -148.7 | 5 | 110.2 | T501 E530 W534 V567 | T501-R532 PolarHBondContact N-O 3.34Å; T501-R532 PolarHBondContact O-N 3.41Å; E530-R532 IonicContact OE1-CZ 2.7Å; E530-R532 IonicContact OE1-NE 2.69Å; E530-R532 PolarHBondContact OE1-NE 3.14Å; E530-R532 IonicContact OE1-NH2 2.83Å; E530-R532 PolarHBondContact OE1-NH2 2.8Å; R532-W534 HydrophobicContact CG-CZ2 4.17Å; R532-W534 VanDerWaalsContact O-CD1 3.3Å; R532-W534 PolarHBondContact O-NE1 3.11Å; R532-V567 HydrophobicContact CG-CG2 4.2Å |
| 533 | L | 85.3 | Confident | 66.4 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 146.5 | 175.1 | -56 | 178.6 | 0 | 0 | 0 | 109.3 | L483 A500 S565 S566 V568 L607 L621 F624 | L483-L533 HydrophobicContact CD1-CD2 4.38Å; A500-L533 HydrophobicContact CB-CD2 3.77Å; L533-S565 CarbonylContact O-C 3.57Å; L533-S565 WeakPolarHBondContact O-CA 3.21Å; L533-S566 PolarHBondContact N-O 2.8Å; L533-S566 PolarHBondContact O-N 2.82Å; L533-S566 PolarHBondContact O-OG 2.82Å; L533-V568 HydrophobicContact CD1-CG2 4.06Å; L533-V568 HydrophobicContact CG-CG2 3.95Å; L533-L607 HydrophobicContact CD2-CD2 3.92Å; L533-L621 HydrophobicContact CD1-CD2 3.56Å; L533-L621 HydrophobicContact CD2-CD2 3.46Å; L533-L621 VanDerWaalsContact CD2-CD2 3.46Å; L533-L621 HydrophobicContact CG-CD2 4.16Å; L533-F624 HydrophobicContact CB-CE1 4.36Å; L533-F624 HydrophobicContact CD1-CD1 3.78Å; L533-F624 HydrophobicContact CD1-CE1 3.76Å |
| 534 | W | 84.1 | Confident | 67.1 | Low | 8 Ų | 8 | 66.1 Ų | 66.1 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.4 | -174.9 | -60 | 85 | 0 | 0 | 0 | 111.1 | I451 S471 I473 R498 F499 T501 R532 L563 S564 | I451-W534 HydrophobicContact CD1-CD2 3.89Å; I451-W534 HydrophobicContact CD1-CE3 4.46Å; I451-W534 HydrophobicContact CD1-CG 4.37Å; I451-W534 HydrophobicContact CD1-CH2 4.08Å; I451-W534 HydrophobicContact CD1-CZ2 3.45Å; I451-W534 VanDerWaalsContact CD1-CZ2 3.45Å; S471-W534 WeakPolarHBondContact OG-CH2 3.24Å; S471-W534 WeakPolarHBondContact OG-CZ3 3.3Å; I473-W534 HydrophobicContact CD1-CZ2 3.67Å; I473-W534 HydrophobicContact CG1-CH2 4.25Å; I473-W534 HydrophobicContact CG1-CZ2 3.83Å; R498-W534 WeakPolarHBondContact CA-O 3.44Å; F499-W534 HydrophobicContact CD2-CB 3.45Å; F499-W534 VanDerWaalsContact CD2-CB 3.45Å; F499-W534 AromaticContact CD2-CD1 3.72Å; F499-W534 AromaticContact CD2-CG 3.67Å; F499-W534 HydrophobicContact CD2-CG 3.67Å; F499-W534 HydrophobicContact CE2-CB 3.36Å; F499-W534 AromaticContact CE2-CD1 3.83Å; F499-W534 AromaticContact CE2-CD2 3.98Å; F499-W534 HydrophobicContact CE2-CD2 3.98Å; F499-W534 AromaticContact CE2-CG 3.45Å; F499-W534 HydrophobicContact CE2-CG 3.45Å; F499-W534 VanDerWaalsContact CE2-CG 3.45Å; F499-W534 HydrophobicContact CG-CB 4.1Å; F499-W534 HydrophobicContact CZ-CB 3.98Å; F499-W534 HydrophobicContact CZ-CG 4.38Å; F499-W534 PolarHBondContact N-O 2.79Å; F499-W534 VanDerWaalsContact N-O 3.08Å; F499-W534 WeakPolarHBondContact O-CA 3.4Å; F499-W534 WeakPolarHBondContact O-CB 3.22Å; F499-W534 PolarHBondContact O-N 3.15Å; T501-W534 PolarHBondContact OG1-NE1 3.05Å; R532-W534 HydrophobicContact CG-CZ2 4.17Å; R532-W534 VanDerWaalsContact O-CD1 3.3Å; R532-W534 PolarHBondContact O-NE1 3.11Å; W534-L563 HydrophobicContact CB-CD1 4Å; W534-L563 HydrophobicContact CD2-CD1 4.23Å; W534-L563 HydrophobicContact CE3-CD1 3.51Å; W534-L563 HydrophobicContact CE3-CD2 3.96Å; W534-L563 HydrophobicContact CE3-CG 3.55Å; W534-L563 HydrophobicContact CG-CD1 4.47Å; W534-L563 HydrophobicContact CZ3-CD1 4.33Å; W534-L563 HydrophobicContact CZ3-CD2 4.01Å; W534-L563 HydrophobicContact CZ3-CG 3.86Å; W534-S564 CarbonylContact C-O 3.51Å; W534-S564 VanDerWaalsContact CA-O 3.24Å; W534-S564 WeakPolarHBondContact CA-O 3.37Å |
| 535 | R | 84.3 | Confident | 67.6 | Low | 79 Ų | 79 | 59.4 Ų | 59.4 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 101.8 | 173.3 | -174.2 | 175.4 | 179.6 | -173.6 | -1.7 | 108.7 | D494 F496 I497 R498 K537 S564 | D494-R535 IonicContact OD2-NH2 2.73Å; D494-R535 PolarHBondContact OD2-NH2 3.38Å; F496-R535 HydrophobicContact CB-CG 3.87Å; F496-R535 VanDerWaalsContact CD1-NE 3.31Å; F496-R535 HydrophobicContact CD2-CG 3.97Å; F496-R535 HydrophobicContact CG-CG 3.93Å; F496-R535 VanDerWaalsContact CG-NE 3.32Å; I497-R535 CarbonylContact O-C 3.46Å; I497-R535 WeakPolarHBondContact O-CA 3.37Å; R498-R535 HydrophobicContact CG-CB 4.36Å; R498-R535 HydrophobicContact CG-CG 4.21Å; R535-K537 HydrophobicContact CG-CG 4.38Å; R535-K537 PolarHBondContact O-N 2.9Å; R535-S564 PolarHBondContact N-O 3.19Å; R535-S564 WeakPolarHBondContact O-CB 3.43Å; R535-S564 PolarHBondContact O-N 3.46Å; R535-S564 PolarHBondContact O-OG 2.85Å |
| 536 | F | 83.6 | Confident | 67.5 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 93.5 | 171.6 | 172.2 | -119.1 | 0 | 0 | 0 | 109.1 | F437 V453 L468 I469 F496 I497 F499 Y538 Y561 L563 | F437-F536 HydrophobicContact CD1-CE1 4.37Å; F437-F536 HydrophobicContact CE1-CE1 4.23Å; F437-F536 HydrophobicContact CZ-CE1 4.39Å; V453-F536 HydrophobicContact CG1-CE1 4.1Å; V453-F536 HydrophobicContact CG1-CZ 4.13Å; L468-F536 HydrophobicContact CD1-CZ 4.15Å; I469-F536 HydrophobicContact CD1-CD2 3.88Å; I469-F536 HydrophobicContact CD1-CE2 3.67Å; I469-F536 HydrophobicContact CG1-CE2 4.03Å; F496-F536 CarbonylContact C-O 3.58Å; F496-F536 WeakPolarHBondContact CA-O 3.44Å; F496-F536 WeakPolarHBondContact CB-O 3.16Å; I497-F536 HydrophobicContact CB-CB 4.37Å; I497-F536 HydrophobicContact CB-CD1 4.13Å; I497-F536 HydrophobicContact CD1-CD1 4.22Å; I497-F536 HydrophobicContact CG1-CD1 4.16Å; I497-F536 PolarHBondContact N-O 2.86Å; I497-F536 PolarHBondContact O-N 2.78Å; F499-F536 HydrophobicContact CE1-CB 3.97Å; F536-Y538 HydrophobicContact CD1-CD1 4.28Å; F536-Y538 HydrophobicContact CE1-CD1 4.28Å; F536-Y538 HydrophobicContact CE1-CG 4.46Å; F536-Y561 AromaticContact CE2-CD1 3.99Å; F536-Y561 HydrophobicContact CE2-CD1 3.99Å; F536-Y561 AromaticContact CZ-CD1 3.72Å; F536-Y561 HydrophobicContact CZ-CD1 3.72Å; F536-Y561 HydrophobicContact CZ-CE1 4.28Å; F536-L563 HydrophobicContact CB-CD1 4.09Å |
| 537 | K | 81.2 | Confident | 67.5 | Low | 83 Ų | 83 | 58 Ų | 58 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135.1 | 169.3 | -58.8 | -160.2 | 172.2 | -161.6 | 0 | 109.5 | S495 F496 R535 Y561 H562 | S495-K537 CarbonylContact O-C 3.6Å; S495-K537 WeakPolarHBondContact O-CA 3.34Å; F496-K537 HydrophobicContact CB-CB 4.47Å; F496-K537 HydrophobicContact CB-CG 4.11Å; R535-K537 HydrophobicContact CG-CG 4.38Å; R535-K537 PolarHBondContact O-N 2.9Å; K537-Y561 CarbonylContact O-C 3.45Å; K537-Y561 VanDerWaalsContact O-CA 3.29Å; K537-Y561 WeakPolarHBondContact O-CA 3.3Å; K537-H562 HydrophobicContact CB-CB 4.34Å; K537-H562 PolarHBondContact N-O 2.92Å; K537-H562 PolarHBondContact O-N 3.28Å |
| 538 | Y | 77.2 | Confident | 67 | Low | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | trans | -128.9 | 178.7 | 172.8 | 65.2 | -84.3 | 0 | 0 | 0 | 109.8 | F437 S495 I497 F536 | F437-Y538 HydrophobicContact CE2-CD2 4.32Å; F437-Y538 HydrophobicContact CE2-CE1 4.47Å; F437-Y538 HydrophobicContact CE2-CE2 4.19Å; F437-Y538 HydrophobicContact CZ-CD2 4Å; F437-Y538 HydrophobicContact CZ-CE2 4.29Å; F437-Y538 HydrophobicContact CZ-CG 4.21Å; S495-Y538 VanDerWaalsContact CB-O 3.29Å; S495-Y538 WeakPolarHBondContact CB-O 3.37Å; S495-Y538 PolarHBondContact O-N 3.3Å; S495-Y538 PolarHBondContact OG-O 2.83Å; I497-Y538 HydrophobicContact CD1-CE1 4.48Å; I497-Y538 HydrophobicContact CG1-CD1 4.16Å; I497-Y538 HydrophobicContact CG1-CE1 3.71Å; F536-Y538 HydrophobicContact CD1-CD1 4.28Å; F536-Y538 HydrophobicContact CE1-CD1 4.28Å; F536-Y538 HydrophobicContact CE1-CG 4.46Å | ||
| 539 | A | 67.2 | Low | 65.4 | Low | 32 Ų | 32 | 61 Ų | 61 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | trans | -94.4 | 123.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | L557 | A539-L557 HydrophobicContact CB-CD2 4.39Š| ||
| 540 | S | 59.9 | Low | 63.5 | Low | 52 Ų | 52 | 65.3 Ų | 65.3 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | trans | -74.5 | 133.5 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 541 | L | 58 | Low | 61.5 | Low | 86 Ų | 86 | 70.2 Ų | 70.2 | 45% | 0.45 | 39% | 0.389 | S | S | . | . | trans | -98 | 104.4 | 175.6 | -168.2 | 69.8 | 0 | 0 | 0 | 108.6 | Q543 V546 F553 | L541-Q543 PolarHBondContact O-N 3.26Å; L541-V546 HydrophobicContact CD2-CG2 3.79Å; L541-V546 HydrophobicContact CG-CG2 3.91Å; L541-F553 HydrophobicContact CD1-CE1 4.48Å; L541-F553 HydrophobicContact CD1-CE2 4.13Å; L541-F553 HydrophobicContact CD1-CZ 3.98Å | ||
| 542 | G | 53.4 | Low | 59.2 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | trans | -62.4 | 125.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D544 T545 V546 | G542-D544 PolarHBondContact O-N 2.89Å; G542-D544 VanDerWaalsContact O-N 3.12Å; G542-T545 WeakPolarHBondContact O-CB 3.27Å; G542-T545 PolarHBondContact O-N 2.82Å; G542-T545 PolarHBondContact O-OG1 3.33Å; G542-V546 PolarHBondContact O-N 2.97Å | ||
| 543 | Q | 45.3 | Very low | 56.8 | Low | 162 Ų | 162 | 78.9 Ų | 78.9 | 76% | 0.757 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.5 | -33 | -170.8 | -71.3 | 175.3 | -28.8 | 0 | 0 | 114.2 | L541 T545 V546 Q547 | L541-Q543 PolarHBondContact O-N 3.26Å; Q543-T545 PolarHBondContact O-N 3.05Å; Q543-V546 WeakPolarHBondContact O-CB 3.42Å; Q543-V546 PolarHBondContact O-N 2.9Å; Q543-Q547 PolarHBondContact O-N 2.81Å; Q543-Q547 VanDerWaalsContact O-N 3.13Å |
| 544 | D | 49.3 | Very low | 54.6 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 57% | 0.572 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.3 | -36.2 | 173.1 | -111.3 | -38.5 | 0 | 0 | 0 | 112.8 | G542 K548 | G542-D544 PolarHBondContact O-N 2.89Å; G542-D544 VanDerWaalsContact O-N 3.12Å; D544-K548 VanDerWaalsContact O-CB 3.3Å; D544-K548 WeakPolarHBondContact O-CB 3.11Å; D544-K548 PolarHBondContact O-N 2.85Å; D544-K548 VanDerWaalsContact O-N 3.11Å; D544-K548 WeakPolarHBondContact OD1-CE 3.45Å; D544-K548 IonicContact OD1-NZ 2.79Å; D544-K548 PolarHBondContact OD1-NZ 3.41Å |
| 545 | T | 44.8 | Very low | 52.4 | Low | 54 Ų | 54 | 88.3 Ų | 88.3 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.4 | -34.4 | 175.5 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | G542 Q543 Q547 C549 | G542-T545 WeakPolarHBondContact O-CB 3.27Å; G542-T545 PolarHBondContact O-N 2.82Å; G542-T545 PolarHBondContact O-OG1 3.33Å; Q543-T545 PolarHBondContact O-N 3.05Å; T545-Q547 PolarHBondContact O-N 2.71Å; T545-C549 WeakPolarHBondContact O-CA 3.47Å; T545-C549 VanDerWaalsContact O-CB 3.27Å; T545-C549 WeakPolarHBondContact O-CB 2.99Å; T545-C549 PolarHBondContact O-N 2.83Å |
| 546 | V | 45.6 | Very low | 50.2 | Low | 90 Ų | 90 | 90.2 Ų | 90.2 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | L541 G542 Q543 | L541-V546 HydrophobicContact CD2-CG2 3.79Å; L541-V546 HydrophobicContact CG-CG2 3.91Å; G542-V546 PolarHBondContact O-N 2.97Å; Q543-V546 WeakPolarHBondContact O-CB 3.42Å; Q543-V546 PolarHBondContact O-N 2.9Å |
| 547 | Q | 45.7 | Very low | 48.1 | Very low | 183 Ų | 183 | 95 Ų | 95 | 86% | 0.855 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -87.1 | -30.7 | 175.9 | -77.8 | -167.9 | -14.6 | 0 | 0 | 114.6 | Q543 T545 | Q543-Q547 PolarHBondContact O-N 2.81Å; Q543-Q547 VanDerWaalsContact O-N 3.13Å; T545-Q547 PolarHBondContact O-N 2.71Å |
| 548 | K | 47 | Very low | 46.3 | Very low | 160 Ų | 160 | 99 Ų | 99 | 70% | 0.696 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -97.6 | -22.8 | -175.2 | -67.6 | 167.9 | 179.1 | 155.2 | 0 | 114.7 | D544 | D544-K548 VanDerWaalsContact O-CB 3.3Å; D544-K548 WeakPolarHBondContact O-CB 3.11Å; D544-K548 PolarHBondContact O-N 2.85Å; D544-K548 VanDerWaalsContact O-N 3.11Å; D544-K548 WeakPolarHBondContact OD1-CE 3.45Å; D544-K548 IonicContact OD1-NZ 2.79Å; D544-K548 PolarHBondContact OD1-NZ 3.41Å |
| 549 | C | 30.5 | Very low | 44.6 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 37% | 0.372 | 60% | 0.599 | S | S | . | * | trans | -109.7 | 86.7 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 111 | T545 I551 | T545-C549 WeakPolarHBondContact O-CA 3.47Å; T545-C549 VanDerWaalsContact O-CB 3.27Å; T545-C549 WeakPolarHBondContact O-CB 2.99Å; T545-C549 PolarHBondContact O-N 2.83Å; C549-I551 PolarHBondContact O-N 3.26Å | ||
| 550 | G | 41 | Very low | 44.2 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 95% | 0.948 | 62% | 0.621 | S | S | * | * | trans | -69.8 | 51.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 551 | I | 39.1 | Very low | 44.5 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 65% | 0.646 | 62% | 0.619 | S | S | * | * | trans | -126.9 | 128.6 | -173.2 | -57.5 | 178.1 | 0 | 0 | 0 | 107.7 | C549 | C549-I551 PolarHBondContact O-N 3.26Š| ||
| 552 | S | 36.5 | Very low | 45.4 | Very low | 98 Ų | 98 | 113.7 Ų | 113.7 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | trans | -72.2 | 128.7 | -174.2 | 42.6 | 0 | 0 | 0 | 0 | 112.7 | N554 | S552-N554 PolarHBondContact O-N 3.44Š| ||
| 553 | F | 34.8 | Very low | 46.8 | Very low | 130 Ų | 130 | 113.1 Ų | 113.1 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | trans | -76.3 | 51.7 | -179.6 | -86.5 | -85.6 | 0 | 0 | 0 | 114 | L541 G555 | L541-F553 HydrophobicContact CD1-CE1 4.48Å; L541-F553 HydrophobicContact CD1-CE2 4.13Å; L541-F553 HydrophobicContact CD1-CZ 3.98Å; F553-G555 VanDerWaalsContact C-N 3.27Å; F553-G555 PolarHBondContact O-N 2.83Å | ||
| 554 | N | 38.1 | Very low | 48.6 | Very low | 161 Ų | 161 | 107.1 Ų | 107.1 | 86% | 0.861 | 58% | 0.584 | S | S | * | * | trans | -80.3 | 73.1 | 167.8 | -77.6 | -8.6 | 0 | 0 | 0 | 110.1 | S552 | S552-N554 PolarHBondContact O-N 3.44Š| ||
| 555 | G | 37.9 | Very low | 50.1 | Low | 53 Ų | 53 | 104.7 Ų | 104.7 | 55% | 0.546 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -167.2 | 58 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F553 L557 | F553-G555 VanDerWaalsContact C-N 3.27Å; F553-G555 PolarHBondContact O-N 2.83Å; G555-L557 PolarHBondContact O-N 2.94Å |
| 556 | T | 39.3 | Very low | 51.9 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 73% | 0.73 | 58% | 0.575 | S | S | * | * | trans | 39.1 | 67.3 | 164.2 | 56.5 | 0 | 0 | 0 | 0 | 117 | K558 | T556-K558 PolarHBondContact O-N 2.86Š| ||
| 557 | L | 39.1 | Very low | 53.6 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | trans | -70.5 | 43.1 | 155.1 | -81.6 | 166 | 0 | 0 | 0 | 112 | A539 G555 | A539-L557 HydrophobicContact CB-CD2 4.39Å; G555-L557 PolarHBondContact O-N 2.94Å | ||
| 558 | K | 43 | Very low | 55.3 | Low | 167 Ų | 167 | 95 Ų | 95 | 73% | 0.726 | 53% | 0.531 | S | S | * | . | trans | -76.2 | 141.9 | 158.9 | -71.9 | -178.2 | 177.5 | 175.7 | 0 | 106.6 | T556 | T556-K558 PolarHBondContact O-N 2.86Š| ||
| 559 | N | 42.4 | Very low | 56.7 | Low | 134 Ų | 134 | 90.3 Ų | 90.3 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 72.3 | 121.4 | -165.7 | -39.1 | -53.9 | 0 | 0 | 0 | 111.2 | ||
| 560 | K | 57.4 | Low | 58.8 | Low | 170 Ų | 170 | 88.4 Ų | 88.4 | 74% | 0.739 | 50% | 0.504 | S | S | * | . | cis | -143.6 | 65.1 | 10.1 | -60.6 | 176.3 | -175.8 | 170.6 | 0 | 111.7 | H562 | K560-H562 PolarHBondContact O-N 2.87Å; K560-H562 VanDerWaalsContact O-N 3.15Å | ||
| 561 | Y | 67.2 | Low | 60.2 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 31% | 0.31 | 49% | 0.486 | S | S | . | . | trans | -62.1 | 115 | 166.7 | -65.9 | -80.6 | 0 | 0 | 0 | 109.3 | F536 K537 | F536-Y561 AromaticContact CE2-CD1 3.99Å; F536-Y561 HydrophobicContact CE2-CD1 3.99Å; F536-Y561 AromaticContact CZ-CD1 3.72Å; F536-Y561 HydrophobicContact CZ-CD1 3.72Å; F536-Y561 HydrophobicContact CZ-CE1 4.28Å; K537-Y561 CarbonylContact O-C 3.45Å; K537-Y561 VanDerWaalsContact O-CA 3.29Å; K537-Y561 WeakPolarHBondContact O-CA 3.3Å | ||
| 562 | H | 76.6 | Confident | 61.6 | Low | 108 Ų | 108 | 84 Ų | 84 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 106.6 | -172.2 | -178.9 | -76.9 | 0 | 0 | 0 | 111.3 | K537 K560 S564 | K537-H562 HydrophobicContact CB-CB 4.34Å; K537-H562 PolarHBondContact N-O 2.92Å; K537-H562 PolarHBondContact O-N 3.28Å; K560-H562 PolarHBondContact O-N 2.87Å; K560-H562 VanDerWaalsContact O-N 3.15Å; H562-S564 PolarHBondContact CE1-OG 2.91Å; H562-S564 PolarHBondContact ND1-N 2.77Å; H562-S564 PolarHBondContact ND1-OG 3.4Å; H562-S564 VanDerWaalsContact ND1-OG 3.08Å; H562-S564 PolarHBondContact O-N 3.06Å |
| 563 | L | 82.8 | Confident | 63.3 | Low | 28 Ų | 28 | 79.4 Ų | 79.4 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 95.6 | 172.9 | -179.6 | 53.4 | 0 | 0 | 0 | 110.6 | I469 F499 W534 F536 | I469-L563 HydrophobicContact CD1-CB 3.81Å; I469-L563 HydrophobicContact CG2-CB 3.87Å; I469-L563 HydrophobicContact CG2-CD2 3.64Å; I469-L563 HydrophobicContact CG2-CG 4.41Å; F499-L563 HydrophobicContact CE1-CD1 4.15Å; F499-L563 HydrophobicContact CE2-CD1 4.09Å; F499-L563 HydrophobicContact CZ-CD1 3.45Å; F499-L563 VanDerWaalsContact CZ-CD1 3.45Å; F499-L563 HydrophobicContact CZ-CD2 4.22Å; W534-L563 HydrophobicContact CB-CD1 4Å; W534-L563 HydrophobicContact CD2-CD1 4.23Å; W534-L563 HydrophobicContact CE3-CD1 3.51Å; W534-L563 HydrophobicContact CE3-CD2 3.96Å; W534-L563 HydrophobicContact CE3-CG 3.55Å; W534-L563 HydrophobicContact CG-CD1 4.47Å; W534-L563 HydrophobicContact CZ3-CD1 4.33Å; W534-L563 HydrophobicContact CZ3-CD2 4.01Å; W534-L563 HydrophobicContact CZ3-CG 3.86Å; F536-L563 HydrophobicContact CB-CD1 4.09Å |
| 564 | S | 81.7 | Confident | 64.9 | Low | 35 Ų | 35 | 78.2 Ų | 78.2 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 145.6 | 173.3 | -14.8 | 0 | 0 | 0 | 0 | 110.1 | W534 R535 H562 | W534-S564 CarbonylContact C-O 3.51Å; W534-S564 VanDerWaalsContact CA-O 3.24Å; W534-S564 WeakPolarHBondContact CA-O 3.37Å; R535-S564 PolarHBondContact N-O 3.19Å; R535-S564 WeakPolarHBondContact O-CB 3.43Å; R535-S564 PolarHBondContact O-N 3.46Å; R535-S564 PolarHBondContact O-OG 2.85Å; H562-S564 PolarHBondContact CE1-OG 2.91Å; H562-S564 PolarHBondContact ND1-N 2.77Å; H562-S564 PolarHBondContact ND1-OG 3.4Å; H562-S564 VanDerWaalsContact ND1-OG 3.08Å; H562-S564 PolarHBondContact O-N 3.06Å |
| 565 | S | 82.3 | Confident | 66.5 | Low | 56 Ų | 56 | 72.2 Ų | 72.2 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.8 | 172 | 98.6 | 0 | 0 | 0 | 0 | 111.7 | L533 | L533-S565 CarbonylContact O-C 3.57Å; L533-S565 WeakPolarHBondContact O-CA 3.21Å |
| 566 | S | 82.4 | Confident | 67.8 | Low | 45 Ų | 45 | 73.7 Ų | 73.7 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 125.6 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 110.1 | L533 F624 | L533-S566 PolarHBondContact N-O 2.8Å; L533-S566 PolarHBondContact O-N 2.82Å; L533-S566 PolarHBondContact O-OG 2.82Å; S566-F624 WeakPolarHBondContact OG-CE1 3.26Å |
| 567 | V | 81.6 | Confident | 69.2 | Low | 79 Ų | 79 | 71 Ų | 71 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.3 | -179.4 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | E530 R532 | E530-V567 HydrophobicContact CG-CG1 3.96Å; E530-V567 WeakPolarHBondContact OE1-CG2 3.47Å; R532-V567 HydrophobicContact CG-CG2 4.2Å |
| 568 | V | 81.1 | Confident | 70.6 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | trans | -78.6 | 121.5 | 174.2 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | I531 L533 L570 V619 | I531-V568 HydrophobicContact CB-CB 4.14Å; I531-V568 HydrophobicContact CB-CG2 4.23Å; I531-V568 HydrophobicContact CG2-CB 4.3Å; I531-V568 HydrophobicContact CG2-CG2 3.85Å; I531-V568 PolarHBondContact O-N 2.79Å; L533-V568 HydrophobicContact CD1-CG2 4.06Å; L533-V568 HydrophobicContact CG-CG2 3.95Å; V568-L570 PolarHBondContact O-N 2.96Å; V568-V619 HydrophobicContact CG1-CG1 3.86Å; V568-V619 HydrophobicContact CG1-CG2 4.08Å; V568-V619 HydrophobicContact CG2-CG1 3.85Å | ||
| 569 | S | 76.8 | Confident | 72 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | trans | -77.3 | 114.7 | -173.1 | -166 | 0 | 0 | 0 | 0 | 112.5 | T571 | S569-T571 PolarHBondContact O-N 2.91Å; S569-T571 WeakPolarHBondContact OG-CG2 3.18Å; S569-T571 PolarHBondContact OG-N 3.18Å; S569-T571 PolarHBondContact OG-OG1 2.69Å | ||
| 570 | L | 73 | Confident | 73.4 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -73.9 | 5.5 | 171.9 | -54.4 | -178.6 | 0 | 0 | 0 | 113.3 | V568 S572 I573 R579 F584 L617 I626 | V568-L570 PolarHBondContact O-N 2.96Å; L570-S572 PolarHBondContact O-N 2.95Å; L570-I573 PolarHBondContact O-N 2.66Å; L570-R579 HydrophobicContact CB-CG 4.08Å; L570-R579 WeakPolarHBondContact O-CD 3.49Å; L570-R579 PolarHBondContact O-NE 2.8Å; L570-R579 VanDerWaalsContact O-NE 3.12Å; L570-F584 HydrophobicContact CD1-CE2 4.03Å; L570-F584 HydrophobicContact CD1-CZ 4.02Å; L570-F584 HydrophobicContact CD2-CE2 4.41Å; L570-F584 HydrophobicContact CD2-CZ 4.06Å; L570-L617 HydrophobicContact CD2-CD1 3.91Å; L570-I626 HydrophobicContact CD2-CD1 4.05Å |
| 571 | T | 70.7 | Confident | 74.1 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -67.7 | -20 | -178.7 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | S569 I573 R579 | S569-T571 PolarHBondContact O-N 2.91Å; S569-T571 WeakPolarHBondContact OG-CG2 3.18Å; S569-T571 PolarHBondContact OG-N 3.18Å; S569-T571 PolarHBondContact OG-OG1 2.69Å; T571-I573 PolarHBondContact O-N 3.49Å; T571-R579 PolarHBondContact O-NH2 2.82Å; T571-R579 VanDerWaalsContact O-NH2 3.17Å |
| 572 | S | 69.8 | Low | 74.5 | Confident | 33 Ų | 33 | 52 Ų | 52 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -65.3 | -24.2 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | L570 I574 L665 | L570-S572 PolarHBondContact O-N 2.95Å; S572-I574 PolarHBondContact O-N 2.87Å; S572-I574 VanDerWaalsContact O-N 3.08Å; S572-L665 WeakPolarHBondContact OG-CD1 3.47Å |
| 573 | I | 70.5 | Confident | 74.8 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | trans | -75.6 | 96.8 | 173.1 | -59.2 | 178.9 | 0 | 0 | 0 | 107.6 | L570 T571 V575 L578 R579 L582 L617 I626 L665 F667 | L570-I573 PolarHBondContact O-N 2.66Å; T571-I573 PolarHBondContact O-N 3.49Å; I573-V575 VanDerWaalsContact C-N 3.33Å; I573-V575 PolarHBondContact O-N 3.46Å; I573-L578 HydrophobicContact CG2-CB 4.18Å; I573-L578 HydrophobicContact CG2-CD2 3.77Å; I573-L578 HydrophobicContact CG2-CG 3.87Å; I573-R579 HydrophobicContact CG2-CB 4.39Å; I573-R579 PolarHBondContact O-NE 3.25Å; I573-R579 VanDerWaalsContact O-NE 3.1Å; I573-R579 PolarHBondContact O-NH2 2.81Å; I573-L582 HydrophobicContact CD1-CD1 3.58Å; I573-L617 HydrophobicContact CD1-CD2 4.38Å; I573-I626 HydrophobicContact CD1-CD1 3.91Å; I573-I626 HydrophobicContact CG1-CD1 3.98Å; I573-L665 HydrophobicContact CG1-CD1 3.86Å; I573-F667 HydrophobicContact CB-CZ 4.37Å; I573-F667 HydrophobicContact CG2-CZ 4.02Å | ||
| 574 | I | 68.8 | Low | 74.9 | Confident | 106 Ų | 106 | 46.9 Ų | 46.9 | 54% | 0.544 | 28% | 0.283 | S | S | . | . | trans | -60.5 | -42.9 | -172.8 | -62.6 | 175.6 | 0 | 0 | 0 | 111.2 | S572 P576 V664 | S572-I574 PolarHBondContact O-N 2.87Å; S572-I574 VanDerWaalsContact O-N 3.08Å; I574-P576 WeakPolarHBondContact O-CD 3.26Å; I574-V664 HydrophobicContact CD1-CG1 3.95Å | ||
| 575 | V | 71.7 | Confident | 74.9 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | trans | -64.3 | 113 | -178 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | I573 A577 L578 R579 | I573-V575 VanDerWaalsContact C-N 3.33Å; I573-V575 PolarHBondContact O-N 3.46Å; V575-A577 VanDerWaalsContact C-N 3.35Å; V575-A577 HydrophobicContact CG1-CB 4.24Å; V575-A577 PolarHBondContact O-N 3.1Å; V575-L578 HydrophobicContact CB-CB 4.08Å; V575-L578 HydrophobicContact CG1-CB 4.05Å; V575-L578 PolarHBondContact O-N 2.83Å; V575-R579 PolarHBondContact O-N 2.88Å | ||
| 576 | P | 66.4 | Low | 75 | Confident | 83 Ų | 83 | 44.9 Ų | 44.9 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68 | -34.3 | -176.9 | -21.2 | 34.4 | 0 | 0 | 0 | 113 | I574 R579 Q580 | I574-P576 WeakPolarHBondContact O-CD 3.26Å; P576-R579 PolarHBondContact O-N 2.72Å; P576-Q580 WeakPolarHBondContact O-CB 3.45Å; P576-Q580 WeakPolarHBondContact O-CG 3.32Å; P576-Q580 PolarHBondContact O-N 2.85Å |
| 577 | A | 67.3 | Low | 75.2 | Confident | 64 Ų | 64 | 43 Ų | 43 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V575 Q580 S581 | V575-A577 VanDerWaalsContact C-N 3.35Å; V575-A577 HydrophobicContact CG1-CB 4.24Å; V575-A577 PolarHBondContact O-N 3.1Å; A577-Q580 PolarHBondContact O-N 2.8Å; A577-S581 WeakPolarHBondContact O-CB 3.48Å; A577-S581 PolarHBondContact O-N 2.86Å; A577-S581 PolarHBondContact O-OG 2.74Å |
| 578 | L | 68.9 | Low | 75.3 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 173.5 | 174.9 | 53.8 | 0 | 0 | 0 | 111 | I573 V575 Q580 S581 L582 H615 F667 | I573-L578 HydrophobicContact CG2-CB 4.18Å; I573-L578 HydrophobicContact CG2-CD2 3.77Å; I573-L578 HydrophobicContact CG2-CG 3.87Å; V575-L578 HydrophobicContact CB-CB 4.08Å; V575-L578 HydrophobicContact CG1-CB 4.05Å; V575-L578 PolarHBondContact O-N 2.83Å; L578-Q580 PolarHBondContact O-N 3.26Å; L578-Q580 VanDerWaalsContact O-N 3.1Å; L578-S581 PolarHBondContact O-N 2.77Å; L578-S581 PolarHBondContact O-OG 3.36Å; L578-L582 HydrophobicContact CD1-CD2 4.1Å; L578-L582 HydrophobicContact CD1-CG 4.02Å; L578-L582 WeakPolarHBondContact O-CG 3.5Å; L578-L582 PolarHBondContact O-N 3.18Å; L578-L582 VanDerWaalsContact O-N 3.1Å; L578-H615 WeakPolarHBondContact CD1-CE1 3.3Å; L578-H615 VanDerWaalsContact CD1-NE2 3.26Å; L578-H615 WeakPolarHBondContact CD1-NE2 3.4Å; L578-F667 HydrophobicContact CD2-CE1 4.13Å |
| 579 | R | 72.7 | Confident | 75.4 | Confident | 74 Ų | 74 | 40.5 Ų | 40.5 | 28% | 0.279 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.6 | -25.3 | 178.8 | -156.4 | -166.8 | -59.3 | 163.6 | -0.7 | 113.4 | L570 T571 I573 V575 P576 | L570-R579 HydrophobicContact CB-CG 4.08Å; L570-R579 WeakPolarHBondContact O-CD 3.49Å; L570-R579 PolarHBondContact O-NE 2.8Å; L570-R579 VanDerWaalsContact O-NE 3.12Å; T571-R579 PolarHBondContact O-NH2 2.82Å; T571-R579 VanDerWaalsContact O-NH2 3.17Å; I573-R579 HydrophobicContact CG2-CB 4.39Å; I573-R579 PolarHBondContact O-NE 3.25Å; I573-R579 VanDerWaalsContact O-NE 3.1Å; I573-R579 PolarHBondContact O-NH2 2.81Å; V575-R579 PolarHBondContact O-N 2.88Å; P576-R579 PolarHBondContact O-N 2.72Å |
| 580 | Q | 72 | Confident | 75.4 | Confident | 114 Ų | 114 | 38.5 Ų | 38.5 | 53% | 0.533 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -90.1 | -25.1 | 176 | -72.4 | 176.9 | -7.3 | 0 | 0 | 113.8 | P576 A577 L578 | P576-Q580 WeakPolarHBondContact O-CB 3.45Å; P576-Q580 WeakPolarHBondContact O-CG 3.32Å; P576-Q580 PolarHBondContact O-N 2.85Å; A577-Q580 PolarHBondContact O-N 2.8Å; L578-Q580 PolarHBondContact O-N 3.26Å; L578-Q580 VanDerWaalsContact O-N 3.1Å |
| 581 | S | 71.4 | Confident | 75.3 | Confident | 51 Ų | 51 | 38.6 Ų | 38.6 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -85.8 | -25.8 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 113.7 | A577 L578 N583 T613 | A577-S581 WeakPolarHBondContact O-CB 3.48Å; A577-S581 PolarHBondContact O-N 2.86Å; A577-S581 PolarHBondContact O-OG 2.74Å; L578-S581 PolarHBondContact O-N 2.77Å; L578-S581 PolarHBondContact O-OG 3.36Å; S581-N583 PolarHBondContact O-N 2.99Å; S581-N583 VanDerWaalsContact O-N 3.15Å; S581-T613 VanDerWaalsContact O-CG2 3.23Å; S581-T613 WeakPolarHBondContact O-CG2 3.15Å |
| 582 | L | 77 | Confident | 74.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -53.6 | 118.9 | 177.6 | -74.5 | 171.4 | 0 | 0 | 0 | 111.7 | S529 I573 L578 F584 H615 L617 | S529-L582 WeakPolarHBondContact CB-O 3.38Å; S529-L582 PolarHBondContact OG-O 3.17Å; I573-L582 HydrophobicContact CD1-CD1 3.58Å; L578-L582 HydrophobicContact CD1-CD2 4.1Å; L578-L582 HydrophobicContact CD1-CG 4.02Å; L578-L582 WeakPolarHBondContact O-CG 3.5Å; L578-L582 PolarHBondContact O-N 3.18Å; L578-L582 VanDerWaalsContact O-N 3.1Å; L582-F584 HydrophobicContact CB-CE1 4.09Å; L582-F584 HydrophobicContact CB-CZ 4.29Å; L582-F584 HydrophobicContact CD1-CE1 4.27Å; L582-F584 HydrophobicContact CD1-CZ 4.25Å; L582-F584 HydrophobicContact CD2-CE1 4.16Å; L582-F584 HydrophobicContact CG-CE1 4.41Å; L582-H615 HydrophobicContact CD2-CB 3.5Å; L582-H615 VanDerWaalsContact CD2-CB 3.5Å; L582-L617 HydrophobicContact CD1-CD1 4.48Å | ||
| 583 | N | 83 | Confident | 74.5 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | trans | -124.8 | 94.6 | 176.9 | 176.1 | 24.9 | 0 | 0 | 0 | 109.3 | G504 L505 S581 V585 S611 S612 | G504-N583 VanDerWaalsContact CA-OD1 3.32Å; G504-N583 WeakPolarHBondContact CA-OD1 3.45Å; L505-N583 HydrophobicContact CB-CB 4.27Å; L505-N583 HydrophobicContact CD1-CB 4.01Å; L505-N583 HydrophobicContact CG-CB 3.94Å; L505-N583 PolarHBondContact N-OD1 3.11Å; S581-N583 PolarHBondContact O-N 2.99Å; S581-N583 VanDerWaalsContact O-N 3.15Å; N583-V585 PolarHBondContact O-N 3.41Å; N583-S611 VanDerWaalsContact C-OG 3.27Å; N583-S611 PolarHBondContact N-OG 3.31Å; N583-S611 CarbonylContact O-C 2.82Å; N583-S611 WeakPolarHBondContact O-CA 3.42Å; N583-S611 PolarHBondContact O-OG 3.25Å; N583-S612 PolarHBondContact ND2-OG 3.3Å; N583-S612 PolarHBondContact O-N 3.42Å | ||
| 584 | F | 83.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.1 | -175 | -51.6 | -48.4 | 0 | 0 | 0 | 112.5 | S478 V502 G504 S529 I531 L570 L582 V609 G610 L617 | S478-F584 WeakPolarHBondContact CB-O 3.49Å; S478-F584 PolarHBondContact OG-O 3.16Å; V502-F584 HydrophobicContact CG1-CB 3.18Å; V502-F584 HydrophobicContact CG1-CD2 4.23Å; V502-F584 HydrophobicContact CG1-CG 4.02Å; G504-F584 VanDerWaalsContact CA-O 3.31Å; G504-F584 WeakPolarHBondContact CA-O 3.13Å; G504-F584 PolarHBondContact N-O 2.88Å; S529-F584 VanDerWaalsContact CB-CD2 3.45Å; S529-F584 VanDerWaalsContact OG-CE2 3.3Å; S529-F584 WeakPolarHBondContact OG-CE2 3.28Å; I531-F584 HydrophobicContact CD1-CD2 4.48Å; I531-F584 HydrophobicContact CD1-CE2 4Å; I531-F584 HydrophobicContact CD1-CZ 4.1Å; I531-F584 HydrophobicContact CG1-CD2 3.87Å; I531-F584 HydrophobicContact CG1-CE2 3.64Å; I531-F584 HydrophobicContact CG1-CZ 4.26Å; L570-F584 HydrophobicContact CD1-CE2 4.03Å; L570-F584 HydrophobicContact CD1-CZ 4.02Å; L570-F584 HydrophobicContact CD2-CE2 4.41Å; L570-F584 HydrophobicContact CD2-CZ 4.06Å; L582-F584 HydrophobicContact CB-CE1 4.09Å; L582-F584 HydrophobicContact CB-CZ 4.29Å; L582-F584 HydrophobicContact CD1-CE1 4.27Å; L582-F584 HydrophobicContact CD1-CZ 4.25Å; L582-F584 HydrophobicContact CD2-CE1 4.16Å; L582-F584 HydrophobicContact CG-CE1 4.41Å; F584-V609 HydrophobicContact CB-CG1 3.81Å; F584-V609 HydrophobicContact CD1-CG1 3.76Å; F584-V609 HydrophobicContact CD2-CG1 4.18Å; F584-V609 HydrophobicContact CE1-CG1 4.41Å; F584-V609 HydrophobicContact CG-CG1 3.66Å; F584-G610 CarbonylContact C-O 3.51Å; F584-G610 WeakPolarHBondContact CA-O 3.2Å; F584-L617 HydrophobicContact CE1-CD1 3.52Å; F584-L617 HydrophobicContact CE1-CG 4.12Å; F584-L617 HydrophobicContact CZ-CD1 3.46Å; F584-L617 VanDerWaalsContact CZ-CD1 3.46Å |
| 585 | V | 81.7 | Confident | 73.1 | Confident | 39 Ų | 39 | 40 Ų | 40 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -39.4 | -176.9 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | S478 N583 G610 A682 | S478-V585 WeakPolarHBondContact CB-O 3.19Å; N583-V585 PolarHBondContact O-N 3.41Å; V585-G610 PolarHBondContact N-O 3.26Å; V585-A682 WeakPolarHBondContact CG1-O 3.47Å |
| 586 | S | 85.1 | Confident | 71.7 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.1 | -169.4 | -169.6 | 0 | 0 | 0 | 0 | 113 | G610 S683 L684 | S586-G610 PolarHBondContact N-O 3.12Å; S586-G610 PolarHBondContact O-N 3.27Å; S586-S683 VanDerWaalsContact CB-CA 3.49Å; S586-S683 WeakPolarHBondContact OG-CA 3.39Å; S586-L684 PolarHBondContact OG-N 3.48Å |
| 587 | C | 85.3 | Confident | 70.7 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 145.5 | 177.6 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | C479 V502 L607 L608 V609 | C479-C587 PolarHBondContact SG-N 3.46Å; C479-C587 VanDerWaalsContact SG-SG 3.65Å; V502-C587 HydrophobicContact CB-CB 4.5Å; V502-C587 HydrophobicContact CG2-CB 3.73Å; V502-C587 VanDerWaalsContact CG2-SG 3.54Å; C587-L607 HydrophobicContact CB-CD1 4.13Å; C587-L608 CarbonylContact C-O 3.57Å; C587-L608 WeakPolarHBondContact CA-O 3.19Å; C587-L608 WeakPolarHBondContact CB-O 3.19Å; C587-V609 HydrophobicContact CB-CB 4.42Å; C587-V609 HydrophobicContact CB-CG2 3.91Å |
| 588 | C | 85.2 | Confident | 69.6 | Low | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 173.3 | 174.5 | 67.6 | 0 | 0 | 0 | 0 | 110.8 | L608 L684 H685 W686 | C588-L608 PolarHBondContact N-O 3.18Å; C588-L608 PolarHBondContact O-N 2.92Å; C588-L684 HydrophobicContact CB-CB 4.21Å; C588-H685 VanDerWaalsContact CB-C 3.46Å; C588-H685 PolarHBondContact SG-O 2.91Å; C588-W686 HydrophobicContact CB-CB 4.1Å |
| 589 | I | 81.6 | Confident | 68.6 | Low | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.8 | -177.1 | -67.2 | 149.4 | 0 | 0 | 0 | 109.8 | C481 L482 L483 P591 Y605 L607 W686 | C481-I589 HydrophobicContact CB-CD1 4.02Å; C481-I589 HydrophobicContact CB-CG1 4.3Å; C481-I589 WeakPolarHBondContact SG-CD1 3.32Å; L482-I589 WeakPolarHBondContact O-CD1 3.4Å; L483-I589 HydrophobicContact CD2-CD1 3.71Å; L483-I589 HydrophobicContact CD2-CG1 3.69Å; I589-P591 WeakPolarHBondContact O-CD 3.1Å; I589-Y605 HydrophobicContact CG2-CD1 3.73Å; I589-Y605 HydrophobicContact CG2-CG 4.24Å; I589-L607 HydrophobicContact CG1-CD1 4.22Å; I589-W686 WeakPolarHBondContact O-CB 3.39Å |
| 590 | K | 77.8 | Confident | 67.3 | Low | 18 Ų | 18 | 57.6 Ų | 57.6 | 8% | 0.078 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.7 | 171.9 | 163.6 | 173 | 176.1 | -172.4 | 0 | 108.9 | Y605 S606 L608 E618 W686 P712 | K590-Y605 WeakPolarHBondContact O-CA 3.43Å; K590-S606 WeakPolarHBondContact CB-OG 3.47Å; K590-S606 WeakPolarHBondContact CG-OG 3.47Å; K590-S606 PolarHBondContact N-O 3.43Å; K590-S606 PolarHBondContact O-N 3.03Å; K590-S606 PolarHBondContact O-OG 3.37Å; K590-L608 HydrophobicContact CB-CD1 3.63Å; K590-L608 HydrophobicContact CB-CG 4.09Å; K590-L608 HydrophobicContact CD-CD1 4.15Å; K590-E618 WeakPolarHBondContact CD-OE1 3.38Å; K590-E618 WeakPolarHBondContact CE-OE1 3.28Å; K590-E618 IonicContact NZ-OE1 3.66Å; K590-E618 PolarHBondContact NZ-OE1 2.88Å; K590-W686 HydrophobicContact CB-CD2 4.3Å; K590-W686 HydrophobicContact CB-CE3 3.73Å; K590-W686 HydrophobicContact CB-CH2 3.82Å; K590-W686 HydrophobicContact CB-CZ2 4.36Å; K590-W686 HydrophobicContact CB-CZ3 3.47Å; K590-W686 VanDerWaalsContact CB-CZ3 3.47Å; K590-W686 HydrophobicContact CD-CH2 3.85Å; K590-W686 HydrophobicContact CD-CZ3 3.81Å; K590-W686 HydrophobicContact CG-CE3 4.35Å; K590-W686 HydrophobicContact CG-CH2 3.48Å; K590-W686 VanDerWaalsContact CG-CH2 3.48Å; K590-W686 HydrophobicContact CG-CZ2 4.11Å; K590-W686 HydrophobicContact CG-CZ3 3.61Å; K590-P712 HydrophobicContact CD-CB 4.49Å |
| 591 | P | 71.1 | Confident | 66.1 | Low | 18 Ų | 18 | 57 Ų | 57 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 138.3 | 160.6 | 27.7 | -32.9 | 0 | 0 | 0 | 108.9 | I589 L603 Y605 W686 | I589-P591 WeakPolarHBondContact O-CD 3.1Å; P591-L603 HydrophobicContact CB-CD2 4.45Å; P591-Y605 HydrophobicContact CB-CD1 4.05Å; P591-Y605 HydrophobicContact CB-CE1 3.92Å; P591-W686 VanDerWaalsContact CD-NE1 3.34Å; P591-W686 HydrophobicContact CG-CZ2 4.31Å |
| 592 | Q | 62.6 | Low | 65.3 | Low | 62 Ų | 62 | 60.2 Ų | 60.2 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.6 | 179.2 | -174.3 | -178.3 | 14.6 | 0 | 0 | 108.3 | Q594 N604 | Q592-Q594 PolarHBondContact O-N 3.26Å; Q592-N604 HydrophobicContact CB-CB 4.37Å; Q592-N604 PolarHBondContact N-O 3.29Å; Q592-N604 WeakPolarHBondContact O-CA 3.48Å; Q592-N604 WeakPolarHBondContact O-CB 3.41Å; Q592-N604 PolarHBondContact O-N 2.92Å |
| 593 | I | 61.3 | Low | 64.4 | Low | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.1 | 170.9 | -42.1 | 157.2 | 0 | 0 | 0 | 106.8 | N595 N601 L603 S694 L695 | I593-N595 WeakPolarHBondContact CG2-OD1 3.24Å; I593-N601 HydrophobicContact CG2-CB 4.43Å; I593-L603 HydrophobicContact CG1-CD2 4.2Å; I593-S694 WeakPolarHBondContact CD1-OG 3.25Å; I593-L695 HydrophobicContact CD1-CD2 3.81Å; I593-L695 HydrophobicContact CD1-CG 4.33Å |
| 594 | Q | 57.7 | Low | 63.8 | Low | 68 Ų | 68 | 62.7 Ų | 62.7 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | trans | -97.6 | 106.4 | 159.7 | -78 | -176.7 | -18.3 | 0 | 0 | 108 | Q592 F596 N604 | Q592-Q594 PolarHBondContact O-N 3.26Å; Q594-F596 HydrophobicContact CB-CD2 3.93Å; Q594-F596 HydrophobicContact CB-CE2 4.05Å; Q594-F596 PolarHBondContact O-N 3.23Å; Q594-N604 PolarHBondContact NE2-ND2 2.78Å; Q594-N604 PolarHBondContact OE1-ND2 2.8Å | ||
| 595 | N | 52.3 | Low | 63.4 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | trans | -68.6 | 72 | 168.2 | -73.6 | 1.3 | 0 | 0 | 0 | 108.9 | I593 N597 | I593-N595 WeakPolarHBondContact CG2-OD1 3.24Å; N595-N597 PolarHBondContact O-N 3.25Å | ||
| 596 | F | 41.1 | Very low | 63.4 | Low | 148 Ų | 148 | 62.9 Ų | 62.9 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | trans | -72.5 | 112.7 | 161.5 | -83.5 | -69.2 | 0 | 0 | 0 | 107.9 | Q594 Q598 | Q594-F596 HydrophobicContact CB-CD2 3.93Å; Q594-F596 HydrophobicContact CB-CE2 4.05Å; Q594-F596 PolarHBondContact O-N 3.23Å; F596-Q598 PolarHBondContact O-N 2.95Å; F596-Q598 VanDerWaalsContact O-N 3.1Å | ||
| 597 | N | 45.8 | Very low | 63.4 | Low | 110 Ų | 110 | 62.5 Ų | 62.5 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -48.4 | 120.3 | 172.2 | -71.7 | -17.3 | 0 | 0 | 0 | 109.1 | N595 E781 | N595-N597 PolarHBondContact O-N 3.25Å; N597-E781 PolarHBondContact ND2-OE1 2.92Å |
| 598 | Q | 43.7 | Very low | 63.4 | Low | 177 Ų | 177 | 62.3 Ų | 62.3 | 83% | 0.827 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 98.6 | 94.5 | -176.8 | -54.7 | 168.5 | 14.6 | 0 | 0 | 117.6 | F596 C600 | F596-Q598 PolarHBondContact O-N 2.95Å; F596-Q598 VanDerWaalsContact O-N 3.1Å; Q598-C600 PolarHBondContact O-N 2.78Å |
| 599 | S | 49.1 | Very low | 63.4 | Low | 121 Ų | 121 | 62 Ų | 62 | 85% | 0.846 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 78.7 | -9.7 | 139.1 | 75.2 | 0 | 0 | 0 | 0 | 122.3 | ||
| 600 | C | 45.2 | Very low | 63.6 | Low | 81 Ų | 81 | 61 Ų | 61 | 55% | 0.547 | 32% | 0.315 | S | S | . | . | trans | -150.8 | 105 | 171.5 | -99.4 | 0 | 0 | 0 | 0 | 113.2 | Q598 K602 | Q598-C600 PolarHBondContact O-N 2.78Å; C600-K602 PolarHBondContact O-N 3.4Å | ||
| 601 | N | 47 | Very low | 63.8 | Low | 103 Ų | 103 | 60.1 Ų | 60.1 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | trans | -70.3 | 93.8 | 174.5 | -68.3 | 15.7 | 0 | 0 | 0 | 110.3 | I593 L603 | I593-N601 HydrophobicContact CG2-CB 4.43Å; N601-L603 PolarHBondContact O-N 2.98Å | ||
| 602 | K | 54.7 | Low | 64.2 | Low | 118 Ų | 118 | 60.4 Ų | 60.4 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | trans | -74 | 116.6 | 167.3 | -72.9 | -168.1 | 174.4 | -170.5 | 0 | 109.2 | C600 N604 | C600-K602 PolarHBondContact O-N 3.4Å; K602-N604 PolarHBondContact O-N 2.79Å | ||
| 603 | L | 57.6 | Low | 64.8 | Low | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 106 | 166.9 | -74.2 | 166.1 | 0 | 0 | 0 | 108.3 | P591 I593 N601 Y605 | P591-L603 HydrophobicContact CB-CD2 4.45Å; I593-L603 HydrophobicContact CG1-CD2 4.2Å; N601-L603 PolarHBondContact O-N 2.98Å; L603-Y605 HydrophobicContact CB-CE2 4.37Å |
| 604 | N | 69.3 | Low | 65.6 | Low | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 168.8 | 159.6 | -84.1 | -19.7 | 0 | 0 | 0 | 109.3 | Q592 Q594 K602 N622 | Q592-N604 HydrophobicContact CB-CB 4.37Å; Q592-N604 PolarHBondContact N-O 3.29Å; Q592-N604 WeakPolarHBondContact O-CA 3.48Å; Q592-N604 WeakPolarHBondContact O-CB 3.41Å; Q592-N604 PolarHBondContact O-N 2.92Å; Q594-N604 PolarHBondContact NE2-ND2 2.78Å; Q594-N604 PolarHBondContact OE1-ND2 2.8Å; K602-N604 PolarHBondContact O-N 2.79Å; N604-N622 PolarHBondContact ND2-ND2 2.87Å; N604-N622 PolarHBondContact OD1-ND2 2.76Å |
| 605 | Y | 75.6 | Confident | 66.8 | Low | 43 Ų | 43 | 54 Ų | 54 | 17% | 0.169 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142 | 173.2 | -60.3 | -86 | 0 | 0 | 0 | 108.8 | P484 I589 K590 P591 L603 L621 | P484-Y605 HydrophobicContact CB-CE1 4.35Å; P484-Y605 HydrophobicContact CG-CD1 3.57Å; P484-Y605 HydrophobicContact CG-CD2 4.06Å; P484-Y605 HydrophobicContact CG-CE1 3.36Å; P484-Y605 HydrophobicContact CG-CE2 3.88Å; P484-Y605 HydrophobicContact CG-CG 3.92Å; I589-Y605 HydrophobicContact CG2-CD1 3.73Å; I589-Y605 HydrophobicContact CG2-CG 4.24Å; K590-Y605 WeakPolarHBondContact O-CA 3.43Å; P591-Y605 HydrophobicContact CB-CD1 4.05Å; P591-Y605 HydrophobicContact CB-CE1 3.92Å; L603-Y605 HydrophobicContact CB-CE2 4.37Å; Y605-L621 WeakPolarHBondContact O-CB 3.44Å; Y605-L621 WeakPolarHBondContact O-CD1 3.38Å; Y605-L621 WeakPolarHBondContact O-CG 3.28Å |
| 606 | S | 82.2 | Confident | 68.4 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.6 | 170.6 | 56.5 | 0 | 0 | 0 | 0 | 108.8 | K590 V619 | K590-S606 WeakPolarHBondContact CB-OG 3.47Å; K590-S606 WeakPolarHBondContact CG-OG 3.47Å; K590-S606 PolarHBondContact N-O 3.43Å; K590-S606 PolarHBondContact O-N 3.03Å; K590-S606 PolarHBondContact O-OG 3.37Å; S606-V619 WeakPolarHBondContact CA-O 3.41Å |
| 607 | L | 84.8 | Confident | 70.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121 | 176.9 | 177.1 | 81.3 | 0 | 0 | 0 | 108.5 | C481 L483 A500 I531 L533 C587 I589 V609 V619 L621 | C481-L607 HydrophobicContact CB-CD1 3.98Å; L483-L607 HydrophobicContact CD2-CD1 4.48Å; A500-L607 HydrophobicContact CB-CD1 3.66Å; A500-L607 HydrophobicContact CB-CD2 3.5Å; A500-L607 VanDerWaalsContact CB-CD2 3.5Å; A500-L607 HydrophobicContact CB-CG 4.21Å; I531-L607 HydrophobicContact CG2-CD2 3.76Å; L533-L607 HydrophobicContact CD2-CD2 3.92Å; C587-L607 HydrophobicContact CB-CD1 4.13Å; I589-L607 HydrophobicContact CG1-CD1 4.22Å; L607-V609 HydrophobicContact CD2-CG2 3.62Å; L607-V609 HydrophobicContact CG-CG2 3.77Å; L607-V619 HydrophobicContact CB-CB 4.37Å; L607-V619 PolarHBondContact N-O 2.88Å; L607-V619 PolarHBondContact O-N 2.83Å; L607-L621 HydrophobicContact CB-CD2 3.83Å; L607-L621 HydrophobicContact CB-CG 4.35Å |
| 608 | L | 85.5 | Confident | 72.3 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.6 | 174.4 | -67.5 | 165.8 | 0 | 0 | 0 | 109 | C587 C588 K590 I616 L617 E618 Y630 L684 W686 L698 | C587-L608 CarbonylContact C-O 3.57Å; C587-L608 WeakPolarHBondContact CA-O 3.19Å; C587-L608 WeakPolarHBondContact CB-O 3.19Å; C588-L608 PolarHBondContact N-O 3.18Å; C588-L608 PolarHBondContact O-N 2.92Å; K590-L608 HydrophobicContact CB-CD1 3.63Å; K590-L608 HydrophobicContact CB-CG 4.09Å; K590-L608 HydrophobicContact CD-CD1 4.15Å; L608-I616 HydrophobicContact CB-CG2 4.07Å; L608-I616 HydrophobicContact CD2-CG2 3.95Å; L608-L617 CarbonylContact C-O 3.45Å; L608-L617 WeakPolarHBondContact CA-O 3.45Å; L608-E618 HydrophobicContact CD2-CB 3.78Å; L608-E618 HydrophobicContact CD2-CG 3.83Å; L608-Y630 HydrophobicContact CD2-CD2 4.41Å; L608-Y630 HydrophobicContact CD2-CE2 4.03Å; L608-L684 HydrophobicContact CB-CD1 4.29Å; L608-W686 HydrophobicContact CD1-CE3 3.81Å; L608-W686 HydrophobicContact CD1-CZ3 3.76Å; L608-L698 HydrophobicContact CD1-CB 4.32Å; L608-L698 HydrophobicContact CD1-CD1 3.85Å; L608-L698 HydrophobicContact CD1-CD2 4.02Å; L608-L698 HydrophobicContact CD1-CG 4.26Å |
| 609 | V | 85.1 | Confident | 74.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 113.6 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | V502 I531 F584 C587 L607 I616 L617 | V502-V609 HydrophobicContact CB-CG1 4.27Å; V502-V609 HydrophobicContact CG1-CG1 3.53Å; V502-V609 HydrophobicContact CG2-CB 4.36Å; V502-V609 HydrophobicContact CG2-CG1 3.67Å; V502-V609 HydrophobicContact CG2-CG2 3.74Å; I531-V609 HydrophobicContact CD1-CB 3.73Å; I531-V609 HydrophobicContact CD1-CG1 3.87Å; I531-V609 HydrophobicContact CD1-CG2 3.65Å; I531-V609 HydrophobicContact CG1-CB 4.27Å; I531-V609 HydrophobicContact CG1-CG1 3.96Å; I531-V609 HydrophobicContact CG1-CG2 4.01Å; I531-V609 HydrophobicContact CG2-CG2 4.22Å; F584-V609 HydrophobicContact CB-CG1 3.81Å; F584-V609 HydrophobicContact CD1-CG1 3.76Å; F584-V609 HydrophobicContact CD2-CG1 4.18Å; F584-V609 HydrophobicContact CE1-CG1 4.41Å; F584-V609 HydrophobicContact CG-CG1 3.66Å; C587-V609 HydrophobicContact CB-CB 4.42Å; C587-V609 HydrophobicContact CB-CG2 3.91Å; L607-V609 HydrophobicContact CD2-CG2 3.62Å; L607-V609 HydrophobicContact CG-CG2 3.77Å; V609-I616 CarbonylContact O-C 3.59Å; V609-I616 WeakPolarHBondContact O-CA 3.39Å; V609-L617 HydrophobicContact CB-CB 4.49Å; V609-L617 PolarHBondContact N-O 2.82Å; V609-L617 PolarHBondContact O-N 2.9Å |
| 610 | G | 86.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F584 V585 S586 H615 | F584-G610 CarbonylContact C-O 3.51Å; F584-G610 WeakPolarHBondContact CA-O 3.2Å; V585-G610 PolarHBondContact N-O 3.26Å; S586-G610 PolarHBondContact N-O 3.12Å; S586-G610 PolarHBondContact O-N 3.27Å; G610-H615 CarbonylContact C-O 3.55Å |
| 611 | S | 82.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 147.5 | 178.2 | -170.6 | 0 | 0 | 0 | 0 | 113.4 | N583 T613 G614 H615 I681 | N583-S611 VanDerWaalsContact C-OG 3.27Å; N583-S611 PolarHBondContact N-OG 3.31Å; N583-S611 CarbonylContact O-C 2.82Å; N583-S611 WeakPolarHBondContact O-CA 3.42Å; N583-S611 PolarHBondContact O-OG 3.25Å; S611-T613 PolarHBondContact O-N 2.87Å; S611-T613 PolarHBondContact OG-N 2.82Å; S611-T613 PolarHBondContact OG-OG1 3.2Å; S611-T613 VanDerWaalsContact OG-OG1 3.1Å; S611-G614 PolarHBondContact O-N 2.87Å; S611-H615 WeakPolarHBondContact CB-O 3.16Å; S611-H615 PolarHBondContact N-O 3.2Å; S611-I681 WeakPolarHBondContact O-CB 3.5Å |
| 612 | S | 79.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 19.6 Ų | 19.6 | 17% | 0.168 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 1 | 168.5 | 92.4 | 0 | 0 | 0 | 0 | 113.8 | N583 S680 | N583-S612 PolarHBondContact ND2-OG 3.3Å; N583-S612 PolarHBondContact O-N 3.42Å; S612-S680 WeakPolarHBondContact O-CB 3.45Å; S612-S680 PolarHBondContact O-OG 2.99Å |
| 613 | T | 75.1 | Confident | 79.5 | Confident | 28 Ų | 28 | 18.6 Ų | 18.6 | 17% | 0.172 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 22.4 | 166.5 | 61.9 | 0 | 0 | 0 | 0 | 112 | S581 S611 H615 F678 | S581-T613 VanDerWaalsContact O-CG2 3.23Å; S581-T613 WeakPolarHBondContact O-CG2 3.15Å; S611-T613 PolarHBondContact O-N 2.87Å; S611-T613 PolarHBondContact OG-N 2.82Å; S611-T613 PolarHBondContact OG-OG1 3.2Å; S611-T613 VanDerWaalsContact OG-OG1 3.1Å; T613-H615 VanDerWaalsContact C-N 3.26Å; T613-H615 PolarHBondContact O-CE1 2.97Å; T613-H615 PolarHBondContact O-N 3.2Å; T613-H615 PolarHBondContact O-ND1 3.23Å; T613-H615 PolarHBondContact OG1-ND1 3.45Å; T613-F678 WeakPolarHBondContact O-CD1 3.23Å |
| 614 | G | 77.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 79 | -11.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | S611 I616 L632 V679 | S611-G614 PolarHBondContact O-N 2.87Å; G614-I616 PolarHBondContact O-N 2.93Å; G614-L632 WeakPolarHBondContact O-CB 3.43Å; G614-L632 PolarHBondContact O-N 3.19Å; G614-V679 WeakPolarHBondContact CA-O 3.37Å; G614-V679 PolarHBondContact N-O 2.62Å |
| 615 | H | 82.7 | Confident | 80.6 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 128.8 | -176.8 | -61.4 | 73.2 | 0 | 0 | 0 | 111.2 | L578 L582 G610 S611 T613 Y630 Q631 F678 | L578-H615 WeakPolarHBondContact CD1-CE1 3.3Å; L578-H615 VanDerWaalsContact CD1-NE2 3.26Å; L578-H615 WeakPolarHBondContact CD1-NE2 3.4Å; L582-H615 HydrophobicContact CD2-CB 3.5Å; L582-H615 VanDerWaalsContact CD2-CB 3.5Å; G610-H615 CarbonylContact C-O 3.55Å; S611-H615 WeakPolarHBondContact CB-O 3.16Å; S611-H615 PolarHBondContact N-O 3.2Å; T613-H615 VanDerWaalsContact C-N 3.26Å; T613-H615 PolarHBondContact O-CE1 2.97Å; T613-H615 PolarHBondContact O-N 3.2Å; T613-H615 PolarHBondContact O-ND1 3.23Å; T613-H615 PolarHBondContact OG1-ND1 3.45Å; H615-Y630 CarbonylContact C-O 3.51Å; H615-Y630 VanDerWaalsContact CA-O 3.31Å; H615-Y630 WeakPolarHBondContact CA-O 3.32Å; H615-Q631 PolarHBondContact NE2-OE1 2.92Å; H615-F678 AromaticContact CE1-CD1 3.71Å; H615-F678 AromaticContact CE1-CE1 3.4Å; H615-F678 VanDerWaalsContact CE1-CE1 3.4Å; H615-F678 WeakPolarHBondContact CE1-CE1 3.27Å; H615-F678 AromaticContact NE2-CE1 3.94Å |
| 616 | I | 86 | Confident | 80.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112 | 166.8 | -57.1 | -178.2 | 0 | 0 | 0 | 107.8 | L608 V609 G614 Y630 L650 I681 L684 L698 V700 | L608-I616 HydrophobicContact CB-CG2 4.07Å; L608-I616 HydrophobicContact CD2-CG2 3.95Å; V609-I616 CarbonylContact O-C 3.59Å; V609-I616 WeakPolarHBondContact O-CA 3.39Å; G614-I616 PolarHBondContact O-N 2.93Å; I616-Y630 HydrophobicContact CB-CD2 4.39Å; I616-Y630 HydrophobicContact CG2-CD2 4.32Å; I616-Y630 PolarHBondContact N-O 3.49Å; I616-Y630 WeakPolarHBondContact O-CA 3.36Å; I616-Y630 WeakPolarHBondContact O-CB 3.13Å; I616-Y630 PolarHBondContact O-N 3.11Å; I616-L650 HydrophobicContact CB-CD1 4.49Å; I616-L650 HydrophobicContact CD1-CD1 3.87Å; I616-L650 HydrophobicContact CG1-CD1 4.34Å; I616-I681 HydrophobicContact CD1-CD1 3.95Å; I616-I681 HydrophobicContact CG1-CD1 3.41Å; I616-I681 VanDerWaalsContact CG1-CD1 3.41Å; I616-L684 HydrophobicContact CD1-CD1 4.42Å; I616-L684 HydrophobicContact CD1-CD2 3.76Å; I616-L684 HydrophobicContact CG1-CD1 4.47Å; I616-L684 HydrophobicContact CG1-CD2 4.41Å; I616-L684 HydrophobicContact CG2-CD1 4.07Å; I616-L698 HydrophobicContact CD1-CD2 4.12Å; I616-V700 HydrophobicContact CD1-CG1 4.17Å; I616-V700 HydrophobicContact CD1-CG2 3.69Å |
| 617 | L | 84.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.6 | 174 | -56.8 | -174.3 | 0 | 0 | 0 | 109.1 | I531 L570 I573 L582 F584 L608 V609 I626 V629 | I531-L617 HydrophobicContact CD1-CB 4.37Å; I531-L617 HydrophobicContact CD1-CD1 3.94Å; L570-L617 HydrophobicContact CD2-CD1 3.91Å; I573-L617 HydrophobicContact CD1-CD2 4.38Å; L582-L617 HydrophobicContact CD1-CD1 4.48Å; F584-L617 HydrophobicContact CE1-CD1 3.52Å; F584-L617 HydrophobicContact CE1-CG 4.12Å; F584-L617 HydrophobicContact CZ-CD1 3.46Å; F584-L617 VanDerWaalsContact CZ-CD1 3.46Å; L608-L617 CarbonylContact C-O 3.45Å; L608-L617 WeakPolarHBondContact CA-O 3.45Å; V609-L617 HydrophobicContact CB-CB 4.49Å; V609-L617 PolarHBondContact N-O 2.82Å; V609-L617 PolarHBondContact O-N 2.9Å; L617-I626 HydrophobicContact CD1-CD1 3.96Å; L617-I626 HydrophobicContact CD1-CG1 4.47Å; L617-I626 HydrophobicContact CD2-CD1 4.29Å; L617-I626 HydrophobicContact CD2-CG2 4.31Å; L617-V629 HydrophobicContact CD2-CB 4.24Å; L617-V629 HydrophobicContact CD2-CG1 3.96Å; L617-V629 HydrophobicContact CD2-CG2 3.83Å |
| 618 | E | 85.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.6 | 161.8 | -165.9 | -172.8 | -117.8 | 0 | 0 | 108.4 | K590 L608 I626 S627 N628 Y630 | K590-E618 WeakPolarHBondContact CD-OE1 3.38Å; K590-E618 WeakPolarHBondContact CE-OE1 3.28Å; K590-E618 IonicContact NZ-OE1 3.66Å; K590-E618 PolarHBondContact NZ-OE1 2.88Å; L608-E618 HydrophobicContact CD2-CB 3.78Å; L608-E618 HydrophobicContact CD2-CG 3.83Å; E618-I626 CarbonylContact O-C 3.5Å; E618-I626 VanDerWaalsContact O-CA 3.3Å; E618-I626 WeakPolarHBondContact O-CA 3.22Å; E618-I626 WeakPolarHBondContact O-CG2 3.49Å; E618-S627 WeakPolarHBondContact CB-OG 3.44Å; E618-S627 VanDerWaalsContact CG-OG 3.26Å; E618-S627 WeakPolarHBondContact CG-OG 3.42Å; E618-S627 PolarHBondContact O-N 3.29Å; E618-S627 PolarHBondContact O-OG 2.79Å; E618-S627 VanDerWaalsContact O-OG 3.13Å; E618-S627 WeakPolarHBondContact OE2-CB 3.22Å; E618-S627 PolarHBondContact OE2-OG 3.41Å; E618-N628 HydrophobicContact CB-CB 4.06Å; E618-N628 PolarHBondContact N-O 2.93Å; E618-N628 PolarHBondContact OE2-ND2 2.78Å; E618-Y630 HydrophobicContact CB-CD2 4.46Å; E618-Y630 HydrophobicContact CB-CE2 3.82Å; E618-Y630 HydrophobicContact CG-CE2 4.49Å; E618-Y630 PolarHBondContact OE1-OH 2.85Å |
| 619 | V | 82.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.5 | 176 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | I531 V568 S606 L607 L621 | I531-V619 HydrophobicContact CD1-CG2 3.96Å; V568-V619 HydrophobicContact CG1-CG1 3.86Å; V568-V619 HydrophobicContact CG1-CG2 4.08Å; V568-V619 HydrophobicContact CG2-CG1 3.85Å; S606-V619 WeakPolarHBondContact CA-O 3.41Å; L607-V619 HydrophobicContact CB-CB 4.37Å; L607-V619 PolarHBondContact N-O 2.88Å; L607-V619 PolarHBondContact O-N 2.83Å; V619-L621 PolarHBondContact O-N 2.81Å |
| 620 | D | 79.7 | Confident | 80.3 | Confident | 19 Ų | 19 | 22.1 Ų | 22.1 | 10% | 0.102 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 115.2 | 168.1 | -177.3 | -31.2 | 0 | 0 | 0 | 108.8 | N622 L623 F624 C625 | D620-N622 VanDerWaalsContact C-N 3.25Å; D620-N622 PolarHBondContact O-N 3.08Å; D620-N622 WeakPolarHBondContact OD1-CA 3.39Å; D620-N622 WeakPolarHBondContact OD1-CB 3.26Å; D620-N622 PolarHBondContact OD1-N 3.49Å; D620-L623 HydrophobicContact CB-CB 4.09Å; D620-L623 PolarHBondContact O-N 3.32Å; D620-L623 PolarHBondContact OD1-N 3.26Å; D620-L623 WeakPolarHBondContact OD2-CD1 3.39Å; D620-L623 VanDerWaalsContact OD2-CG 3.31Å; D620-L623 WeakPolarHBondContact OD2-CG 3.48Å; D620-F624 PolarHBondContact O-N 3.07Å; D620-C625 PolarHBondContact N-O 2.8Å |
| 621 | L | 76.2 | Confident | 79.8 | Confident | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.8 | -177.4 | -64.7 | 176.5 | 0 | 0 | 0 | 113.5 | L483 L533 Y605 L607 V619 F624 | L483-L621 HydrophobicContact CD1-CD1 4.01Å; L483-L621 HydrophobicContact CD1-CD2 4.04Å; L483-L621 HydrophobicContact CD2-CD1 3.47Å; L483-L621 VanDerWaalsContact CD2-CD1 3.47Å; L483-L621 HydrophobicContact CD2-CD2 4.33Å; L483-L621 HydrophobicContact CG-CD1 4.29Å; L533-L621 HydrophobicContact CD1-CD2 3.56Å; L533-L621 HydrophobicContact CD2-CD2 3.46Å; L533-L621 VanDerWaalsContact CD2-CD2 3.46Å; L533-L621 HydrophobicContact CG-CD2 4.16Å; Y605-L621 WeakPolarHBondContact O-CB 3.44Å; Y605-L621 WeakPolarHBondContact O-CD1 3.38Å; Y605-L621 WeakPolarHBondContact O-CG 3.28Å; L607-L621 HydrophobicContact CB-CD2 3.83Å; L607-L621 HydrophobicContact CB-CG 4.35Å; V619-L621 PolarHBondContact O-N 2.81Å; L621-F624 WeakPolarHBondContact O-CE2 3.4Å |
| 622 | N | 76.5 | Confident | 79.6 | Confident | 79 Ų | 79 | 22.6 Ų | 22.6 | 42% | 0.422 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -37.1 | 175.5 | -62.9 | -33.9 | 0 | 0 | 0 | 111.1 | N604 D620 F624 | N604-N622 PolarHBondContact ND2-ND2 2.87Å; N604-N622 PolarHBondContact OD1-ND2 2.76Å; D620-N622 VanDerWaalsContact C-N 3.25Å; D620-N622 PolarHBondContact O-N 3.08Å; D620-N622 WeakPolarHBondContact OD1-CA 3.39Å; D620-N622 WeakPolarHBondContact OD1-CB 3.26Å; D620-N622 PolarHBondContact OD1-N 3.49Å; N622-F624 WeakPolarHBondContact O-CD2 3.23Å |
| 623 | L | 74.3 | Confident | 79 | Confident | 96 Ų | 96 | 22.2 Ų | 22.2 | 50% | 0.503 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.4 | -178.2 | -59.9 | -179.7 | 0 | 0 | 0 | 114.1 | D620 C625 | D620-L623 HydrophobicContact CB-CB 4.09Å; D620-L623 PolarHBondContact O-N 3.32Å; D620-L623 PolarHBondContact OD1-N 3.26Å; D620-L623 WeakPolarHBondContact OD2-CD1 3.39Å; D620-L623 VanDerWaalsContact OD2-CG 3.31Å; D620-L623 WeakPolarHBondContact OD2-CG 3.48Å; L623-C625 PolarHBondContact O-N 2.93Å; L623-C625 VanDerWaalsContact O-N 3.13Å; L623-C625 PolarHBondContact O-SG 2.7Å |
| 624 | F | 75.3 | Confident | 78.9 | Confident | 102 Ų | 102 | 23 Ų | 23 | 45% | 0.447 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.9 | 174.8 | -72.4 | -92.6 | 0 | 0 | 0 | 114.8 | L533 S566 D620 L621 N622 | L533-F624 HydrophobicContact CB-CE1 4.36Å; L533-F624 HydrophobicContact CD1-CD1 3.78Å; L533-F624 HydrophobicContact CD1-CE1 3.76Å; S566-F624 WeakPolarHBondContact OG-CE1 3.26Å; D620-F624 PolarHBondContact O-N 3.07Å; L621-F624 WeakPolarHBondContact O-CE2 3.4Å; N622-F624 WeakPolarHBondContact O-CD2 3.23Å |
| 625 | C | 75 | Confident | 78.2 | Confident | 32 Ų | 32 | 26.8 Ų | 26.8 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 160.3 | -175.9 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | D620 L623 S627 R656 | D620-C625 PolarHBondContact N-O 2.8Å; L623-C625 PolarHBondContact O-N 2.93Å; L623-C625 VanDerWaalsContact O-N 3.13Å; L623-C625 PolarHBondContact O-SG 2.7Å; C625-S627 PolarHBondContact O-N 2.77Å; C625-R656 PolarHBondContact SG-NH1 2.98Å |
| 626 | I | 80.6 | Confident | 76.8 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 120.1 | 171.9 | -53.2 | 170.1 | 0 | 0 | 0 | 108.3 | L570 I573 L617 E618 V629 L665 | L570-I626 HydrophobicContact CD2-CD1 4.05Å; I573-I626 HydrophobicContact CD1-CD1 3.91Å; I573-I626 HydrophobicContact CG1-CD1 3.98Å; L617-I626 HydrophobicContact CD1-CD1 3.96Å; L617-I626 HydrophobicContact CD1-CG1 4.47Å; L617-I626 HydrophobicContact CD2-CD1 4.29Å; L617-I626 HydrophobicContact CD2-CG2 4.31Å; E618-I626 CarbonylContact O-C 3.5Å; E618-I626 VanDerWaalsContact O-CA 3.3Å; E618-I626 WeakPolarHBondContact O-CA 3.22Å; E618-I626 WeakPolarHBondContact O-CG2 3.49Å; I626-V629 HydrophobicContact CG2-CG2 3.85Å; I626-L665 HydrophobicContact CB-CD1 4.32Å; I626-L665 HydrophobicContact CD1-CD1 4.27Å; I626-L665 HydrophobicContact CG2-CD1 4.26Å; I626-L665 HydrophobicContact CG2-CD2 4.23Å |
| 627 | S | 82 | Confident | 75.2 | Confident | 16 Ų | 16 | 33.6 Ų | 33.6 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -46.8 | 171.2 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | E618 C625 R656 | E618-S627 WeakPolarHBondContact CB-OG 3.44Å; E618-S627 VanDerWaalsContact CG-OG 3.26Å; E618-S627 WeakPolarHBondContact CG-OG 3.42Å; E618-S627 PolarHBondContact O-N 3.29Å; E618-S627 PolarHBondContact O-OG 2.79Å; E618-S627 VanDerWaalsContact O-OG 3.13Å; E618-S627 WeakPolarHBondContact OE2-CB 3.22Å; E618-S627 PolarHBondContact OE2-OG 3.41Å; C625-S627 PolarHBondContact O-N 2.77Å; S627-R656 WeakPolarHBondContact O-CB 3.42Å; S627-R656 PolarHBondContact O-N 2.9Å; S627-R656 VanDerWaalsContact O-N 3.09Å |
| 628 | N | 80 | Confident | 73.5 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.9 | -178.6 | -68.6 | -54.4 | 0 | 0 | 0 | 110.3 | E618 Y630 L652 | E618-N628 HydrophobicContact CB-CB 4.06Å; E618-N628 PolarHBondContact N-O 2.93Å; E618-N628 PolarHBondContact OE2-ND2 2.78Å; N628-Y630 HydrophobicContact CB-CD1 4.29Å; N628-Y630 HydrophobicContact CB-CE1 3.72Å; N628-Y630 HydrophobicContact CB-CE2 4.08Å; N628-Y630 PolarHBondContact ND2-OH 3.08Å; N628-L652 HydrophobicContact CB-CD1 3.71Å; N628-L652 WeakPolarHBondContact OD1-CD1 3.45Å |
| 629 | V | 82.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 101.1 | 162.3 | -178.3 | 0 | 0 | 0 | 0 | 106.6 | L617 I626 A653 A654 L665 | L617-V629 HydrophobicContact CD2-CB 4.24Å; L617-V629 HydrophobicContact CD2-CG1 3.96Å; L617-V629 HydrophobicContact CD2-CG2 3.83Å; I626-V629 HydrophobicContact CG2-CG2 3.85Å; V629-A653 PolarHBondContact O-N 2.91Å; V629-A653 VanDerWaalsContact O-N 3.08Å; V629-A654 HydrophobicContact CB-CB 4.12Å; V629-A654 HydrophobicContact CG2-CB 4.29Å; V629-A654 PolarHBondContact N-O 2.78Å; V629-A654 PolarHBondContact O-N 2.77Å; V629-A654 VanDerWaalsContact O-N 3.13Å; V629-L665 HydrophobicContact CG2-CD1 3.62Å; V629-L665 HydrophobicContact CG2-CD2 4.04Å; V629-L665 HydrophobicContact CG2-CG 4.42Å |
| 630 | Y | 82.1 | Confident | 69.4 | Low | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 149.6 | 164.1 | -48.7 | -62.3 | 0 | 0 | 0 | 109.7 | L608 H615 I616 E618 N628 L650 Q651 L652 L716 | L608-Y630 HydrophobicContact CD2-CD2 4.41Å; L608-Y630 HydrophobicContact CD2-CE2 4.03Å; H615-Y630 CarbonylContact C-O 3.51Å; H615-Y630 VanDerWaalsContact CA-O 3.31Å; H615-Y630 WeakPolarHBondContact CA-O 3.32Å; I616-Y630 HydrophobicContact CB-CD2 4.39Å; I616-Y630 HydrophobicContact CG2-CD2 4.32Å; I616-Y630 PolarHBondContact N-O 3.49Å; I616-Y630 WeakPolarHBondContact O-CA 3.36Å; I616-Y630 WeakPolarHBondContact O-CB 3.13Å; I616-Y630 PolarHBondContact O-N 3.11Å; E618-Y630 HydrophobicContact CB-CD2 4.46Å; E618-Y630 HydrophobicContact CB-CE2 3.82Å; E618-Y630 HydrophobicContact CG-CE2 4.49Å; E618-Y630 PolarHBondContact OE1-OH 2.85Å; N628-Y630 HydrophobicContact CB-CD1 4.29Å; N628-Y630 HydrophobicContact CB-CE1 3.72Å; N628-Y630 HydrophobicContact CB-CE2 4.08Å; N628-Y630 PolarHBondContact ND2-OH 3.08Å; Y630-L650 HydrophobicContact CG-CD1 4.29Å; Y630-L650 HydrophobicContact CG-CG 4.18Å; Y630-Q651 CarbonylContact C-O 3.13Å; Y630-Q651 VanDerWaalsContact CA-O 3.28Å; Y630-Q651 WeakPolarHBondContact CA-O 3.48Å; Y630-L652 HydrophobicContact CD1-CB 4.38Å; Y630-L652 HydrophobicContact CD1-CD1 3.84Å; Y630-L652 HydrophobicContact CE1-CD1 3.81Å; Y630-L716 HydrophobicContact CD1-CD2 3.48Å; Y630-L716 VanDerWaalsContact CD1-CD2 3.48Å; Y630-L716 HydrophobicContact CE1-CD2 3.21Å; Y630-L716 HydrophobicContact CG-CD2 4.42Å |
| 631 | Q | 76.1 | Confident | 67.3 | Low | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 113 | -176.3 | -171.4 | -178.4 | -70.6 | 0 | 0 | 108.8 | H615 T633 E649 Q651 A653 F678 | H615-Q631 PolarHBondContact NE2-OE1 2.92Å; Q631-T633 HydrophobicContact CB-CG2 4.46Å; Q631-T633 HydrophobicContact CG-CG2 3.82Å; Q631-T633 PolarHBondContact O-N 2.78Å; Q631-T633 VanDerWaalsContact O-N 3.15Å; Q631-E649 VanDerWaalsContact O-O 3.07Å; Q631-Q651 PolarHBondContact N-O 2.91Å; Q631-Q651 PolarHBondContact O-N 2.89Å; Q631-A653 HydrophobicContact CB-CB 3.54Å; Q631-A653 HydrophobicContact CG-CB 4.32Å; Q631-F678 HydrophobicContact CG-CD1 4.23Å; Q631-F678 HydrophobicContact CG-CE1 3.94Å |
| 632 | L | 78 | Confident | 65.4 | Low | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 93.8 | 178.2 | -159.4 | 73.2 | 0 | 0 | 0 | 109.2 | G614 V648 E649 L650 V679 I681 V700 T702 W710 | G614-L632 WeakPolarHBondContact O-CB 3.43Å; G614-L632 PolarHBondContact O-N 3.19Å; L632-V648 HydrophobicContact CD1-CG1 3.4Å; L632-V648 HydrophobicContact CD2-CG1 4.24Å; L632-V648 HydrophobicContact CG-CG1 3.46Å; L632-V648 VanDerWaalsContact CG-CG1 3.46Å; L632-E649 WeakPolarHBondContact CA-O 3.32Å; L632-L650 HydrophobicContact CD1-CD1 4.22Å; L632-V679 HydrophobicContact CD2-CB 3.9Å; L632-V679 HydrophobicContact CD2-CG1 3.93Å; L632-V679 HydrophobicContact CG-CB 4.06Å; L632-V679 PolarHBondContact O-N 2.85Å; L632-I681 HydrophobicContact CD2-CD1 4.26Å; L632-I681 HydrophobicContact CD2-CG1 3.7Å; L632-V700 HydrophobicContact CD2-CG1 4.03Å; L632-T702 HydrophobicContact CD2-CG2 4.3Å; L632-W710 HydrophobicContact CD1-CZ2 4.22Å |
| 633 | T | 68.5 | Low | 63.5 | Low | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.2 | -174.9 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | Q631 V648 E649 | Q631-T633 HydrophobicContact CB-CG2 4.46Å; Q631-T633 HydrophobicContact CG-CG2 3.82Å; Q631-T633 PolarHBondContact O-N 2.78Å; Q631-T633 VanDerWaalsContact O-N 3.15Å; T633-V648 WeakPolarHBondContact O-CA 3.45Å; T633-E649 PolarHBondContact N-O 2.86Å; T633-E649 VanDerWaalsContact N-O 3.13Å; T633-E649 PolarHBondContact O-N 2.9Å |
| 634 | E | 71.6 | Confident | 62 | Low | 43 Ų | 43 | 41.4 Ų | 41.4 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.8 | 176.4 | -143.6 | 159.5 | -157 | 0 | 0 | 111.1 | L636 N646 N677 V679 R706 | E634-L636 PolarHBondContact O-N 2.88Å; E634-N646 VanDerWaalsContact CG-ND2 3.28Å; E634-N646 WeakPolarHBondContact CG-ND2 3.49Å; E634-N646 PolarHBondContact OE1-ND2 3.47Å; E634-N677 PolarHBondContact N-O 3.05Å; E634-N677 VanDerWaalsContact N-O 3.11Å; E634-N677 WeakPolarHBondContact O-CB 3.36Å; E634-N677 PolarHBondContact O-ND2 3Å; E634-N677 VanDerWaalsContact O-ND2 3.09Å; E634-V679 HydrophobicContact CB-CG2 3.68Å; E634-V679 HydrophobicContact CG-CG2 3.94Å; E634-R706 IonicContact OE1-CZ 3.98Å; E634-R706 VanDerWaalsContact OE1-CZ 3.23Å; E634-R706 IonicContact OE1-NH1 2.65Å; E634-R706 PolarHBondContact OE1-NH1 3.23Å; E634-R706 IonicContact OE1-NH2 2.64Å; E634-R706 PolarHBondContact OE1-NH2 2.77Å |
| 635 | K | 62.1 | Low | 60.5 | Low | 80 Ų | 80 | 37.9 Ų | 37.9 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | trans | -95.6 | 66 | -169.6 | -85.7 | -173.2 | 167.6 | 179 | 0 | 112.5 | Q637 E649 D879 | K635-Q637 VanDerWaalsContact O-CG 3.25Å; K635-Q637 WeakPolarHBondContact O-CG 3.37Å; K635-Q637 PolarHBondContact O-N 2.88Å; K635-Q637 VanDerWaalsContact O-N 3.07Å; K635-E649 VanDerWaalsContact CE-CD 3.47Å; K635-E649 WeakPolarHBondContact CE-OE1 3.48Å; K635-E649 WeakPolarHBondContact CE-OE2 3.23Å; K635-E649 IonicContact NZ-OE1 3.74Å; K635-E649 PolarHBondContact NZ-OE1 2.88Å; K635-E649 IonicContact NZ-OE2 2.76Å; K635-E649 PolarHBondContact NZ-OE2 3.02Å; K635-D879 VanDerWaalsContact C-CG 3.41Å; K635-D879 PolarHBondContact N-OD1 3.23Å | ||
| 636 | L | 53.1 | Low | 59.4 | Low | 88 Ų | 88 | 37.5 Ų | 37.5 | 46% | 0.461 | 19% | 0.185 | S | C | . | . | trans | -51.8 | 117.1 | 169.7 | -64.6 | 178.1 | 0 | 0 | 0 | 110.4 | E634 D879 | E634-L636 PolarHBondContact O-N 2.88Å; L636-D879 WeakPolarHBondContact CA-OD1 3.39Å; L636-D879 WeakPolarHBondContact CD2-O 3.46Å; L636-D879 PolarHBondContact N-OD1 2.79Å | ||
| 637 | Q | 54.1 | Low | 58.6 | Low | 58 Ų | 58 | 40.3 Ų | 40.3 | 27% | 0.271 | 20% | 0.203 | S | C | . | . | trans | -90.3 | 165.1 | 173.3 | -45.3 | -165.5 | -54.8 | 0 | 0 | 108.5 | K635 K914 T915 | K635-Q637 VanDerWaalsContact O-CG 3.25Å; K635-Q637 WeakPolarHBondContact O-CG 3.37Å; K635-Q637 PolarHBondContact O-N 2.88Å; K635-Q637 VanDerWaalsContact O-N 3.07Å; Q637-K914 VanDerWaalsContact O-CB 3.27Å; Q637-K914 WeakPolarHBondContact O-CB 3.49Å; Q637-K914 WeakPolarHBondContact O-CD 3.2Å; Q637-T915 HydrophobicContact CB-CG2 3.17Å; Q637-T915 HydrophobicContact CG-CG2 4.02Å | ||
| 638 | E | 47.2 | Very low | 58 | Low | 138 Ų | 138 | 40 Ų | 40 | 65% | 0.645 | 20% | 0.2 | S | C | * | . | trans | -114.5 | 154.5 | -163.3 | -73.1 | -174 | 175.8 | 0 | 0 | 115.6 | K675 K914 | E638-K675 IonicContact OE1-NZ 3.19Å; E638-K914 VanDerWaalsContact C-CB 3.41Å; E638-K914 CarbonylContact O-C 3.57Å; E638-K914 WeakPolarHBondContact O-CA 3.47Å; E638-K914 WeakPolarHBondContact O-CB 3.43Å | ||
| 639 | E | 41.2 | Very low | 57.6 | Low | 117 Ų | 117 | 40.5 Ų | 40.5 | 55% | 0.547 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -43.1 | 145.3 | -144.1 | -55.9 | -172.8 | 132.2 | 0 | 0 | 122.7 | K914 K994 | E639-K914 VanDerWaalsContact C-CA 3.48Å; E639-K914 CarbonylContact C-O 3.57Å; E639-K994 IonicContact OE1-NZ 2.77Å; E639-K994 PolarHBondContact OE1-NZ 2.84Å |
| 640 | K | 40.7 | Very low | 57.3 | Low | 52 Ų | 52 | 40.7 Ų | 40.7 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | trans | 130.9 | 126.4 | 161.8 | -70.3 | -172.3 | -101 | 137.7 | 0 | 117 | S913 K914 D937 Y938 D939 | K640-S913 CarbonylContact C-O 3.46Å; K640-S913 WeakPolarHBondContact CA-O 3.3Å; K640-S913 PolarHBondContact N-O 3.27Å; K640-S913 VanDerWaalsContact N-O 3.07Å; K640-S913 CarbonylContact O-C 3.37Å; K640-S913 WeakPolarHBondContact O-CA 3.26Å; K640-S913 VanDerWaalsContact O-O 3.12Å; K640-K914 VanDerWaalsContact N-CA 3.3Å; K640-K914 PolarHBondContact N-O 2.98Å; K640-K914 CarbonylContact O-C 3.57Å; K640-K914 PolarHBondContact O-N 2.96Å; K640-K914 VanDerWaalsContact O-O 3.12Å; K640-D937 WeakPolarHBondContact CB-O 3.42Å; K640-D937 WeakPolarHBondContact CD-O 3.45Å; K640-D937 WeakPolarHBondContact CE-O 3.36Å; K640-D937 WeakPolarHBondContact CG-O 3.36Å; K640-D937 VanDerWaalsContact NZ-C 3.29Å; K640-D937 PolarHBondContact NZ-O 2.91Å; K640-Y938 HydrophobicContact CD-CD1 3.78Å; K640-Y938 HydrophobicContact CD-CE1 4.16Å; K640-Y938 HydrophobicContact CD-CG 4.3Å; K640-Y938 VanDerWaalsContact NZ-CD1 3.29Å; K640-Y938 VanDerWaalsContact NZ-CD2 3.28Å; K640-Y938 VanDerWaalsContact NZ-CE1 3.35Å; K640-Y938 VanDerWaalsContact NZ-CE2 3.33Å; K640-Y938 VanDerWaalsContact NZ-CG 3.28Å; K640-D939 VanDerWaalsContact C-CG 3.5Å; K640-D939 VanDerWaalsContact CA-OD2 3.25Å; K640-D939 WeakPolarHBondContact CA-OD2 3.5Å; K640-D939 HydrophobicContact CB-CB 3.78Å; K640-D939 WeakPolarHBondContact CB-OD1 3.44Å; K640-D939 VanDerWaalsContact CD-OD1 3.22Å; K640-D939 WeakPolarHBondContact CD-OD1 3.46Å; K640-D939 WeakPolarHBondContact CG-OD1 3.5Å | ||
| 641 | S | 35.6 | Very low | 56.8 | Low | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -31 | 166.1 | -160.5 | 106.3 | 0 | 0 | 0 | 0 | 131.6 | E643 Y912 S913 D939 V940 I992 | S641-E643 PolarHBondContact O-N 3.14Å; S641-Y912 CarbonylContact O-C 3.48Å; S641-S913 VanDerWaalsContact C-CB 3.41Å; S641-S913 VanDerWaalsContact CA-CA 3.42Å; S641-S913 PolarHBondContact N-O 3.12Å; S641-S913 VanDerWaalsContact O-CA 3.24Å; S641-S913 WeakPolarHBondContact O-CA 3.47Å; S641-S913 PolarHBondContact O-N 3.38Å; S641-D939 VanDerWaalsContact CB-CB 3.46Å; S641-D939 WeakPolarHBondContact CB-OD2 3.19Å; S641-D939 PolarHBondContact N-OD2 2.76Å; S641-D939 WeakPolarHBondContact OG-CB 3.49Å; S641-D939 PolarHBondContact OG-O 3.47Å; S641-V940 CarbonylContact C-O 3.59Å; S641-V940 CarbonylContact O-C 3.58Å; S641-V940 WeakPolarHBondContact O-CA 3.14Å; S641-V940 PolarHBondContact O-N 2.9Å; S641-V940 PolarHBondContact OG-O 2.84Å; S641-V940 VanDerWaalsContact OG-O 3.12Å; S641-I992 VanDerWaalsContact CB-CD1 3.49Å |
| 642 | T | 36.8 | Very low | 56.7 | Low | 26 Ų | 26 | 46.1 Ų | 46.1 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 53.7 | 19.2 | 178.8 | 91.9 | 0 | 0 | 0 | 0 | 122.6 | A883 C884 G911 V940 | T642-A883 HydrophobicContact CG2-CB 4.45Å; T642-A883 CarbonylContact O-C 3.28Å; T642-A883 PolarHBondContact O-N 3.31Å; T642-A883 VanDerWaalsContact O-N 3.14Å; T642-C884 PolarHBondContact O-N 2.61Å; T642-C884 PolarHBondContact O-SG 2.76Å; T642-C884 WeakPolarHBondContact OG1-CB 3.43Å; T642-C884 PolarHBondContact OG1-SG 2.91Å; T642-G911 CarbonylContact C-O 3.6Å; T642-V940 WeakPolarHBondContact CA-O 3.44Å; T642-V940 VanDerWaalsContact CB-O 3.24Å; T642-V940 WeakPolarHBondContact CB-O 3.41Å; T642-V940 PolarHBondContact N-O 3.23Å; T642-V940 PolarHBondContact OG1-O 3.3Å |
| 643 | E | 37.5 | Very low | 56.5 | Low | 36 Ų | 36 | 46.2 Ų | 46.2 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | trans | 77.2 | 125.4 | 131.8 | -55.1 | 172.7 | -133.9 | 0 | 0 | 117.4 | S641 T881 P882 A883 G911 S913 | S641-E643 PolarHBondContact O-N 3.14Å; E643-T881 CarbonylContact C-O 3.5Å; E643-T881 WeakPolarHBondContact CA-O 3.24Å; E643-T881 WeakPolarHBondContact CB-O 3.42Å; E643-T881 WeakPolarHBondContact OE2-CB 3.46Å; E643-T881 PolarHBondContact OE2-OG1 2.93Å; E643-P882 VanDerWaalsContact C-CA 3.5Å; E643-P882 HydrophobicContact CB-CB 4.49Å; E643-P882 WeakPolarHBondContact O-CA 3.47Å; E643-P882 VanDerWaalsContact O-CB 3.23Å; E643-P882 WeakPolarHBondContact O-CB 3.41Å; E643-A883 HydrophobicContact CB-CB 4.06Å; E643-A883 VanDerWaalsContact CD-CB 3.46Å; E643-A883 HydrophobicContact CG-CB 4.02Å; E643-A883 WeakPolarHBondContact OE1-CB 3.35Å; E643-G911 CarbonylContact C-O 3.56Å; E643-G911 WeakPolarHBondContact CA-O 3.46Å; E643-G911 PolarHBondContact N-O 2.81Å; E643-S913 VanDerWaalsContact CA-CB 3.48Å; E643-S913 WeakPolarHBondContact CA-OG 3.47Å; E643-S913 WeakPolarHBondContact CG-OG 3.29Å; E643-S913 VanDerWaalsContact N-CB 3.25Å | ||
| 644 | H | 41.3 | Very low | 56.7 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -165.4 | -165.5 | 155.8 | -101.5 | 92.9 | 0 | 0 | 0 | 117.1 | I877 E880 T881 P882 C884 C910 Y912 | H644-I877 HydrophobicContact CB-CG2 4.17Å; H644-E880 CarbonylContact C-O 3.49Å; H644-E880 CarbonylContact O-C 3.4Å; H644-E880 VanDerWaalsContact O-C 3.28Å; H644-E880 WeakPolarHBondContact O-CA 3.38Å; H644-E880 WeakPolarHBondContact O-CB 3.45Å; H644-E880 PolarHBondContact O-N 3.04Å; H644-T881 WeakPolarHBondContact CA-O 3.45Å; H644-T881 PolarHBondContact N-O 3.35Å; H644-P882 HydrophobicContact CB-CB 4.18Å; H644-P882 WeakPolarHBondContact CE1-CB 3.42Å; H644-P882 VanDerWaalsContact CG-CB 3.43Å; H644-P882 VanDerWaalsContact ND1-CB 3.27Å; H644-P882 WeakPolarHBondContact ND1-CB 3.48Å; H644-C884 PolarHBondContact CE1-O 3.44Å; H644-C884 PolarHBondContact ND1-O 3.07Å; H644-C910 HydrophobicContact CB-CB 3.87Å; H644-C910 PolarHBondContact CD2-SG 2.78Å; H644-C910 PolarHBondContact CE1-SG 2.78Å; H644-C910 WeakPolarHBondContact ND1-CB 3.41Å; H644-C910 PolarHBondContact NE2-SG 3.26Å; H644-Y912 VanDerWaalsContact C-CD1 3.46Å; H644-Y912 VanDerWaalsContact C-CZ 3.49Å; H644-Y912 HydrophobicContact CB-CD1 4.03Å; H644-Y912 HydrophobicContact CB-CD2 3.66Å; H644-Y912 HydrophobicContact CB-CE1 3.67Å; H644-Y912 HydrophobicContact CB-CE2 3.22Å; H644-Y912 HydrophobicContact CB-CG 4.03Å; H644-Y912 WeakPolarHBondContact O-CD1 3.31Å; H644-Y912 WeakPolarHBondContact O-CE1 3.13Å | ||
| 645 | S | 44.8 | Very low | 56.9 | Low | 29 Ų | 29 | 47.7 Ų | 47.7 | 20% | 0.203 | 24% | 0.236 | C | C | . | . | trans | -43.7 | 165.7 | -156.6 | -40.3 | 0 | 0 | 0 | 0 | 124.7 | I877 Y912 | S645-I877 WeakPolarHBondContact OG-CG2 3.25Å; S645-Y912 VanDerWaalsContact CB-OH 3.28Å; S645-Y912 WeakPolarHBondContact CB-OH 3.36Å; S645-Y912 VanDerWaalsContact N-CZ 3.27Å; S645-Y912 PolarHBondContact N-OH 3.32Å; S645-Y912 VanDerWaalsContact N-OH 3.11Å; S645-Y912 PolarHBondContact OG-OH 2.67Å; S645-Y912 VanDerWaalsContact OG-OH 3.11Å | ||
| 646 | N | 52.3 | Low | 57.7 | Low | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | trans | -96.7 | 163.9 | 179.8 | -162.6 | -81.1 | 0 | 0 | 0 | 114.5 | E634 V648 S878 D879 | E634-N646 VanDerWaalsContact CG-ND2 3.28Å; E634-N646 WeakPolarHBondContact CG-ND2 3.49Å; E634-N646 PolarHBondContact OE1-ND2 3.47Å; N646-V648 WeakPolarHBondContact OD1-CG2 3.4Å; N646-V648 PolarHBondContact OD1-N 3.29Å; N646-S878 VanDerWaalsContact CB-C 3.44Å; N646-S878 VanDerWaalsContact CB-CB 3.42Å; N646-S878 WeakPolarHBondContact CB-OG 3.25Å; N646-S878 PolarHBondContact ND2-O 2.98Å; N646-D879 WeakPolarHBondContact CA-OD2 3.45Å; N646-D879 HydrophobicContact CB-CB 4.13Å; N646-D879 VanDerWaalsContact CG-CG 3.43Å; N646-D879 PolarHBondContact ND2-N 2.95Å; N646-D879 PolarHBondContact ND2-OD1 3.44Å; N646-D879 PolarHBondContact ND2-OD2 3.48Å; N646-D879 VanDerWaalsContact ND2-OD2 3.15Å; N646-D879 PolarHBondContact OD1-OD2 3.4Å | ||
| 647 | T | 63.8 | Low | 58.7 | Low | 62 Ų | 62 | 43.8 Ų | 43.8 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | trans | -132.3 | 92.7 | 157.3 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | E649 D879 | T647-E649 PolarHBondContact O-N 3.09Å; T647-E649 VanDerWaalsContact O-N 3.16Å; T647-D879 PolarHBondContact N-OD2 2.88Å | ||
| 648 | V | 69.9 | Low | 59.2 | Low | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 97.2 | 171.4 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L632 T633 N646 V679 R706 F708 W710 | L632-V648 HydrophobicContact CD1-CG1 3.4Å; L632-V648 HydrophobicContact CD2-CG1 4.24Å; L632-V648 HydrophobicContact CG-CG1 3.46Å; L632-V648 VanDerWaalsContact CG-CG1 3.46Å; T633-V648 WeakPolarHBondContact O-CA 3.45Å; N646-V648 WeakPolarHBondContact OD1-CG2 3.4Å; N646-V648 PolarHBondContact OD1-N 3.29Å; V648-V679 HydrophobicContact CG1-CG2 4.08Å; V648-V679 HydrophobicContact CG2-CG2 4.26Å; V648-R706 VanDerWaalsContact CG2-NH1 3.35Å; V648-F708 HydrophobicContact CB-CE1 4.12Å; V648-F708 HydrophobicContact CB-CE2 4.44Å; V648-F708 HydrophobicContact CB-CZ 3.83Å; V648-F708 HydrophobicContact CG1-CE2 4.37Å; V648-F708 HydrophobicContact CG1-CZ 4.25Å; V648-F708 HydrophobicContact CG2-CE1 4.21Å; V648-F708 HydrophobicContact CG2-CE2 4.25Å; V648-F708 HydrophobicContact CG2-CZ 3.55Å; V648-W710 VanDerWaalsContact O-CH2 3.23Å; V648-W710 WeakPolarHBondContact O-CH2 3.33Å; V648-W710 WeakPolarHBondContact O-CZ2 3.48Å |
| 649 | E | 70.6 | Confident | 59.8 | Low | 42 Ų | 42 | 45.8 Ų | 45.8 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 139 | 178.2 | -73 | 177.3 | -178.5 | 0 | 0 | 111.6 | Q631 L632 T633 K635 T647 Q651 | Q631-E649 VanDerWaalsContact O-O 3.07Å; L632-E649 WeakPolarHBondContact CA-O 3.32Å; T633-E649 PolarHBondContact N-O 2.86Å; T633-E649 VanDerWaalsContact N-O 3.13Å; T633-E649 PolarHBondContact O-N 2.9Å; K635-E649 VanDerWaalsContact CE-CD 3.47Å; K635-E649 WeakPolarHBondContact CE-OE1 3.48Å; K635-E649 WeakPolarHBondContact CE-OE2 3.23Å; K635-E649 IonicContact NZ-OE1 3.74Å; K635-E649 PolarHBondContact NZ-OE1 2.88Å; K635-E649 IonicContact NZ-OE2 2.76Å; K635-E649 PolarHBondContact NZ-OE2 3.02Å; T647-E649 PolarHBondContact O-N 3.09Å; T647-E649 VanDerWaalsContact O-N 3.16Å; E649-Q651 HydrophobicContact CB-CG 3.69Å; E649-Q651 PolarHBondContact O-N 2.93Å; E649-Q651 PolarHBondContact OE2-NE2 3.04Å |
| 650 | L | 75.2 | Confident | 60.5 | Low | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 61.8 | 169.1 | -172.7 | 63.6 | 0 | 0 | 0 | 109.2 | I616 Y630 L632 L652 L698 W710 L716 | I616-L650 HydrophobicContact CB-CD1 4.49Å; I616-L650 HydrophobicContact CD1-CD1 3.87Å; I616-L650 HydrophobicContact CG1-CD1 4.34Å; Y630-L650 HydrophobicContact CG-CD1 4.29Å; Y630-L650 HydrophobicContact CG-CG 4.18Å; L632-L650 HydrophobicContact CD1-CD1 4.22Å; L650-L652 PolarHBondContact O-N 2.89Å; L650-L698 HydrophobicContact CD2-CD2 4.03Å; L650-W710 HydrophobicContact CB-CD2 4.25Å; L650-W710 HydrophobicContact CB-CE3 4.12Å; L650-W710 HydrophobicContact CB-CH2 3.58Å; L650-W710 HydrophobicContact CB-CZ2 3.7Å; L650-W710 HydrophobicContact CB-CZ3 3.8Å; L650-W710 HydrophobicContact CD2-CD2 4.1Å; L650-W710 HydrophobicContact CD2-CE3 4.38Å; L650-W710 HydrophobicContact CD2-CG 4.32Å; L650-L716 HydrophobicContact CD2-CD2 4.25Å; L650-L716 HydrophobicContact CG-CD2 4.36Å |
| 651 | Q | 71.8 | Confident | 61.7 | Low | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 134.5 | -172.6 | -66.6 | -166.4 | -12.9 | 0 | 0 | 111.6 | Y630 Q631 E649 A653 | Y630-Q651 CarbonylContact C-O 3.13Å; Y630-Q651 VanDerWaalsContact CA-O 3.28Å; Y630-Q651 WeakPolarHBondContact CA-O 3.48Å; Q631-Q651 PolarHBondContact N-O 2.91Å; Q631-Q651 PolarHBondContact O-N 2.89Å; E649-Q651 HydrophobicContact CB-CG 3.69Å; E649-Q651 PolarHBondContact O-N 2.93Å; E649-Q651 PolarHBondContact OE2-NE2 3.04Å; Q651-A653 PolarHBondContact O-N 3.4Å |
| 652 | L | 74.7 | Confident | 63 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 38% | 0.382 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 68.4 | 173.3 | -177.7 | 45.7 | 0 | 0 | 0 | 110.5 | N628 Y630 L650 A654 F655 | N628-L652 HydrophobicContact CB-CD1 3.71Å; N628-L652 WeakPolarHBondContact OD1-CD1 3.45Å; Y630-L652 HydrophobicContact CD1-CB 4.38Å; Y630-L652 HydrophobicContact CD1-CD1 3.84Å; Y630-L652 HydrophobicContact CE1-CD1 3.81Å; L650-L652 PolarHBondContact O-N 2.89Å; L652-A654 PolarHBondContact O-N 2.96Å; L652-F655 HydrophobicContact CD1-CB 4.01Å; L652-F655 HydrophobicContact CD2-CB 3.93Å; L652-F655 HydrophobicContact CG-CB 3.94Å |
| 653 | A | 73.5 | Confident | 64.4 | Low | 2 Ų | 2 | 64.2 Ų | 64.2 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | -26 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | V629 Q631 Q651 F667 S668 L671 | V629-A653 PolarHBondContact O-N 2.91Å; V629-A653 VanDerWaalsContact O-N 3.08Å; Q631-A653 HydrophobicContact CB-CB 3.54Å; Q631-A653 HydrophobicContact CG-CB 4.32Å; Q651-A653 PolarHBondContact O-N 3.4Å; A653-F667 WeakPolarHBondContact O-CA 3.2Å; A653-S668 PolarHBondContact O-N 2.83Å; A653-L671 HydrophobicContact CB-CD2 4.48Å |
| 654 | A | 72.7 | Confident | 65.9 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 121 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V629 L652 L665 N666 F667 | V629-A654 HydrophobicContact CB-CB 4.12Å; V629-A654 HydrophobicContact CG2-CB 4.29Å; V629-A654 PolarHBondContact N-O 2.78Å; V629-A654 PolarHBondContact O-N 2.77Å; V629-A654 VanDerWaalsContact O-N 3.13Å; L652-A654 PolarHBondContact O-N 2.96Å; A654-L665 HydrophobicContact CB-CB 3.89Å; A654-L665 HydrophobicContact CB-CD2 4.26Å; A654-N666 VanDerWaalsContact CA-O 3.26Å; A654-N666 WeakPolarHBondContact CA-O 3.49Å; A654-N666 WeakPolarHBondContact CB-O 3.34Å; A654-F667 HydrophobicContact CB-CD1 3.69Å; A654-F667 HydrophobicContact CB-CD2 4.26Å; A654-F667 HydrophobicContact CB-CE1 3.72Å; A654-F667 HydrophobicContact CB-CE2 4.28Å; A654-F667 HydrophobicContact CB-CG 3.95Å; A654-F667 HydrophobicContact CB-CZ 4.01Å |
| 655 | F | 76.8 | Confident | 67.5 | Low | 89 Ų | 89 | 64.7 Ų | 64.7 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 152.8 | 161.6 | 66 | -78.4 | 0 | 0 | 0 | 109.8 | L652 E657 N666 | L652-F655 HydrophobicContact CD1-CB 4.01Å; L652-F655 HydrophobicContact CD2-CB 3.93Å; L652-F655 HydrophobicContact CG-CB 3.94Å; F655-E657 HydrophobicContact CD2-CB 4.11Å; F655-E657 HydrophobicContact CE2-CB 3.65Å; F655-E657 HydrophobicContact CE2-CG 3.73Å; F655-E657 WeakPolarHBondContact CE2-OE2 3.49Å; F655-E657 HydrophobicContact CZ-CB 4.34Å; F655-E657 HydrophobicContact CZ-CG 4.38Å; F655-E657 VanDerWaalsContact CZ-OE2 3.24Å; F655-E657 WeakPolarHBondContact CZ-OE2 2.97Å; F655-E657 PolarHBondContact O-N 3.34Å; F655-N666 HydrophobicContact CE1-CB 4.45Å; F655-N666 HydrophobicContact CZ-CB 4.41Å; F655-N666 PolarHBondContact O-N 3.02Å |
| 656 | R | 77.5 | Confident | 68.9 | Low | 41 Ų | 41 | 65.4 Ų | 65.4 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 101 | 173.4 | 172.8 | 178 | 170.8 | -157.5 | 3.8 | 109.9 | C625 S627 W663 L665 | C625-R656 PolarHBondContact SG-NH1 2.98Å; S627-R656 WeakPolarHBondContact O-CB 3.42Å; S627-R656 PolarHBondContact O-N 2.9Å; S627-R656 VanDerWaalsContact O-N 3.09Å; R656-W663 HydrophobicContact CG-CB 4.32Å; R656-W663 HydrophobicContact CG-CD2 4.15Å; R656-W663 HydrophobicContact CG-CE3 3.44Å; R656-W663 VanDerWaalsContact CG-CE3 3.44Å; R656-W663 HydrophobicContact CG-CZ3 4Å; R656-W663 VanDerWaalsContact NH2-CD1 3.31Å; R656-W663 VanDerWaalsContact NH2-CE2 3.31Å; R656-L665 HydrophobicContact CB-CD2 4.25Å |
| 657 | E | 73.6 | Confident | 69.8 | Low | 46 Ų | 46 | 65.9 Ų | 65.9 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 154.7 | 173.6 | -156.3 | 176.9 | 146.5 | 0 | 0 | 110.8 | F655 R659 V664 N666 | F655-E657 HydrophobicContact CD2-CB 4.11Å; F655-E657 HydrophobicContact CE2-CB 3.65Å; F655-E657 HydrophobicContact CE2-CG 3.73Å; F655-E657 WeakPolarHBondContact CE2-OE2 3.49Å; F655-E657 HydrophobicContact CZ-CB 4.34Å; F655-E657 HydrophobicContact CZ-CG 4.38Å; F655-E657 VanDerWaalsContact CZ-OE2 3.24Å; F655-E657 WeakPolarHBondContact CZ-OE2 2.97Å; F655-E657 PolarHBondContact O-N 3.34Å; E657-R659 VanDerWaalsContact CD-NH2 3.32Å; E657-R659 HydrophobicContact CG-CG 4.19Å; E657-R659 IonicContact OE1-CZ 3.25Å; E657-R659 VanDerWaalsContact OE1-CZ 3.25Å; E657-R659 IonicContact OE1-NE 2.7Å; E657-R659 PolarHBondContact OE1-NE 3.23Å; E657-R659 IonicContact OE1-NH2 2.93Å; E657-R659 PolarHBondContact OE1-NH2 2.73Å; E657-R659 IonicContact OE2-CZ 3.32Å; E657-R659 IonicContact OE2-NE 3.28Å; E657-R659 PolarHBondContact OE2-NE 2.94Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 3.39Å; E657-V664 PolarHBondContact N-O 2.86Å; E657-V664 PolarHBondContact O-N 3.21Å; E657-V664 VanDerWaalsContact O-O 3.05Å; E657-N666 HydrophobicContact CB-CB 3.86Å; E657-N666 PolarHBondContact OE2-ND2 2.92Å |
| 658 | F | 66.3 | Low | 69.9 | Low | 109 Ų | 109 | 65.6 Ų | 65.6 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 85.8 | 173.7 | -164.9 | -109.2 | 0 | 0 | 0 | 110.4 | N661 W663 | F658-N661 HydrophobicContact CZ-CB 4.46Å; F658-W663 HydrophobicContact CB-CD2 4.48Å; F658-W663 HydrophobicContact CB-CE3 3.89Å; F658-W663 HydrophobicContact CB-CH2 4.27Å; F658-W663 HydrophobicContact CB-CZ3 3.8Å; F658-W663 AromaticContact CD2-CD2 3.58Å; F658-W663 HydrophobicContact CD2-CD2 3.58Å; F658-W663 AromaticContact CD2-CE2 3.74Å; F658-W663 AromaticContact CD2-CE3 3.85Å; F658-W663 HydrophobicContact CD2-CE3 3.85Å; F658-W663 AromaticContact CD2-CG 3.96Å; F658-W663 HydrophobicContact CD2-CG 3.96Å; F658-W663 HydrophobicContact CD2-CZ2 4.23Å; F658-W663 HydrophobicContact CD2-CZ3 4.34Å; F658-W663 HydrophobicContact CE2-CD2 4.31Å; F658-W663 HydrophobicContact CE2-CG 4.36Å; F658-W663 HydrophobicContact CG-CD2 4.47Å; F658-W663 HydrophobicContact CG-CE3 4.35Å; F658-W663 HydrophobicContact CG-CZ3 4.48Å |
| 659 | R | 59.9 | Low | 69.4 | Low | 128 Ų | 128 | 73.2 Ų | 73.2 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.9 | 175.9 | -69.3 | -170.6 | 177.5 | 173.6 | 7.5 | 110.4 | E657 N661 Q662 N666 | E657-R659 VanDerWaalsContact CD-NH2 3.32Å; E657-R659 HydrophobicContact CG-CG 4.19Å; E657-R659 IonicContact OE1-CZ 3.25Å; E657-R659 VanDerWaalsContact OE1-CZ 3.25Å; E657-R659 IonicContact OE1-NE 2.7Å; E657-R659 PolarHBondContact OE1-NE 3.23Å; E657-R659 IonicContact OE1-NH2 2.93Å; E657-R659 PolarHBondContact OE1-NH2 2.73Å; E657-R659 IonicContact OE2-CZ 3.32Å; E657-R659 IonicContact OE2-NE 3.28Å; E657-R659 PolarHBondContact OE2-NE 2.94Å; E657-R659 IonicContact OE2-NH2 2.91Å; E657-R659 PolarHBondContact OE2-NH2 3.39Å; R659-N661 VanDerWaalsContact C-N 3.33Å; R659-N661 PolarHBondContact O-N 2.83Å; R659-Q662 PolarHBondContact N-O 2.85Å; R659-Q662 PolarHBondContact O-N 3.17Å; R659-Q662 VanDerWaalsContact O-N 3.08Å; R659-N666 PolarHBondContact NH2-ND2 3.25Å |
| 660 | N | 56.1 | Low | 68.6 | Low | 160 Ų | 160 | 78.1 Ų | 78.1 | 86% | 0.856 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 45.5 | 175.1 | -60.9 | -14.5 | 0 | 0 | 0 | 114.5 | Q662 | N660-Q662 PolarHBondContact O-N 3.29Å; N660-Q662 VanDerWaalsContact O-N 3.17Å |
| 661 | N | 65 | Low | 67.7 | Low | 143 Ų | 143 | 79.6 Ų | 79.6 | 77% | 0.765 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 18.2 | -178.6 | -67.4 | -10.1 | 0 | 0 | 0 | 115.7 | F658 R659 | F658-N661 HydrophobicContact CZ-CB 4.46Å; R659-N661 VanDerWaalsContact C-N 3.33Å; R659-N661 PolarHBondContact O-N 2.83Å |
| 662 | Q | 63.6 | Low | 66.6 | Low | 138 Ų | 138 | 82 Ų | 82 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147 | 173.2 | -63.9 | -170.9 | -0.1 | 0 | 0 | 110.8 | R659 N660 V664 | R659-Q662 PolarHBondContact N-O 2.85Å; R659-Q662 PolarHBondContact O-N 3.17Å; R659-Q662 VanDerWaalsContact O-N 3.08Å; N660-Q662 PolarHBondContact O-N 3.29Å; N660-Q662 VanDerWaalsContact O-N 3.17Å; Q662-V664 HydrophobicContact CB-CG2 4.09Å; Q662-V664 PolarHBondContact O-N 2.75Å |
| 663 | W | 66.4 | Low | 65.6 | Low | 146 Ų | 146 | 83 Ų | 83 | 55% | 0.553 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 109.5 | 167.5 | -73.1 | 112.7 | 0 | 0 | 0 | 108.6 | R656 F658 | R656-W663 HydrophobicContact CG-CB 4.32Å; R656-W663 HydrophobicContact CG-CD2 4.15Å; R656-W663 HydrophobicContact CG-CE3 3.44Å; R656-W663 VanDerWaalsContact CG-CE3 3.44Å; R656-W663 HydrophobicContact CG-CZ3 4Å; R656-W663 VanDerWaalsContact NH2-CD1 3.31Å; R656-W663 VanDerWaalsContact NH2-CE2 3.31Å; F658-W663 HydrophobicContact CB-CD2 4.48Å; F658-W663 HydrophobicContact CB-CE3 3.89Å; F658-W663 HydrophobicContact CB-CH2 4.27Å; F658-W663 HydrophobicContact CB-CZ3 3.8Å; F658-W663 AromaticContact CD2-CD2 3.58Å; F658-W663 HydrophobicContact CD2-CD2 3.58Å; F658-W663 AromaticContact CD2-CE2 3.74Å; F658-W663 AromaticContact CD2-CE3 3.85Å; F658-W663 HydrophobicContact CD2-CE3 3.85Å; F658-W663 AromaticContact CD2-CG 3.96Å; F658-W663 HydrophobicContact CD2-CG 3.96Å; F658-W663 HydrophobicContact CD2-CZ2 4.23Å; F658-W663 HydrophobicContact CD2-CZ3 4.34Å; F658-W663 HydrophobicContact CE2-CD2 4.31Å; F658-W663 HydrophobicContact CE2-CG 4.36Å; F658-W663 HydrophobicContact CG-CD2 4.47Å; F658-W663 HydrophobicContact CG-CE3 4.35Å; F658-W663 HydrophobicContact CG-CZ3 4.48Å |
| 664 | V | 68.7 | Low | 64.4 | Low | 44 Ų | 44 | 87.6 Ų | 87.6 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.8 | -178 | -173.7 | 0 | 0 | 0 | 0 | 108 | I574 E657 Q662 N666 | I574-V664 HydrophobicContact CD1-CG1 3.95Å; E657-V664 PolarHBondContact N-O 2.86Å; E657-V664 PolarHBondContact O-N 3.21Å; E657-V664 VanDerWaalsContact O-O 3.05Å; Q662-V664 HydrophobicContact CB-CG2 4.09Å; Q662-V664 PolarHBondContact O-N 2.75Å; V664-N666 PolarHBondContact O-N 2.75Å; V664-N666 VanDerWaalsContact O-N 3.14Å |
| 665 | L | 74.6 | Confident | 63.3 | Low | 3 Ų | 3 | 94 Ų | 94 | 2% | 0.016 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 108.2 | 165.3 | -75.2 | 173.2 | 0 | 0 | 0 | 107 | S572 I573 I626 V629 A654 R656 F667 | S572-L665 WeakPolarHBondContact OG-CD1 3.47Å; I573-L665 HydrophobicContact CG1-CD1 3.86Å; I626-L665 HydrophobicContact CB-CD1 4.32Å; I626-L665 HydrophobicContact CD1-CD1 4.27Å; I626-L665 HydrophobicContact CG2-CD1 4.26Å; I626-L665 HydrophobicContact CG2-CD2 4.23Å; V629-L665 HydrophobicContact CG2-CD1 3.62Å; V629-L665 HydrophobicContact CG2-CD2 4.04Å; V629-L665 HydrophobicContact CG2-CG 4.42Å; A654-L665 HydrophobicContact CB-CB 3.89Å; A654-L665 HydrophobicContact CB-CD2 4.26Å; R656-L665 HydrophobicContact CB-CD2 4.25Å; L665-F667 HydrophobicContact CB-CD2 4.39Å; L665-F667 HydrophobicContact CB-CE2 3.68Å; L665-F667 HydrophobicContact CB-CZ 4.04Å; L665-F667 HydrophobicContact CD1-CZ 4.38Å; L665-F667 WeakPolarHBondContact O-CD2 2.89Å; L665-F667 WeakPolarHBondContact O-CE2 3.37Å; L665-F667 PolarHBondContact O-N 2.8Å |
| 666 | N | 73 | Confident | 62.2 | Low | 43 Ų | 43 | 95.3 Ų | 95.3 | 23% | 0.23 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 108.6 | 178.8 | -171.4 | 28.1 | 0 | 0 | 0 | 108.2 | A654 F655 E657 R659 V664 | A654-N666 VanDerWaalsContact CA-O 3.26Å; A654-N666 WeakPolarHBondContact CA-O 3.49Å; A654-N666 WeakPolarHBondContact CB-O 3.34Å; F655-N666 HydrophobicContact CE1-CB 4.45Å; F655-N666 HydrophobicContact CZ-CB 4.41Å; F655-N666 PolarHBondContact O-N 3.02Å; E657-N666 HydrophobicContact CB-CB 3.86Å; E657-N666 PolarHBondContact OE2-ND2 2.92Å; R659-N666 PolarHBondContact NH2-ND2 3.25Å; V664-N666 PolarHBondContact O-N 2.75Å; V664-N666 VanDerWaalsContact O-N 3.14Å |
| 667 | F | 72.4 | Confident | 61.5 | Low | 33 Ų | 33 | 95.8 Ų | 95.8 | 15% | 0.145 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 142.3 | -178.3 | -71.8 | -87.2 | 0 | 0 | 0 | 110.1 | I573 L578 A653 A654 L665 L671 | I573-F667 HydrophobicContact CB-CZ 4.37Å; I573-F667 HydrophobicContact CG2-CZ 4.02Å; L578-F667 HydrophobicContact CD2-CE1 4.13Å; A653-F667 WeakPolarHBondContact O-CA 3.2Å; A654-F667 HydrophobicContact CB-CD1 3.69Å; A654-F667 HydrophobicContact CB-CD2 4.26Å; A654-F667 HydrophobicContact CB-CE1 3.72Å; A654-F667 HydrophobicContact CB-CE2 4.28Å; A654-F667 HydrophobicContact CB-CG 3.95Å; A654-F667 HydrophobicContact CB-CZ 4.01Å; L665-F667 HydrophobicContact CB-CD2 4.39Å; L665-F667 HydrophobicContact CB-CE2 3.68Å; L665-F667 HydrophobicContact CB-CZ 4.04Å; L665-F667 HydrophobicContact CD1-CZ 4.38Å; L665-F667 WeakPolarHBondContact O-CD2 2.89Å; L665-F667 WeakPolarHBondContact O-CE2 3.37Å; L665-F667 PolarHBondContact O-N 2.8Å; F667-L671 HydrophobicContact CB-CD1 3.96Å; F667-L671 HydrophobicContact CD1-CD1 3.87Å; F667-L671 HydrophobicContact CG-CD1 4.41Å |
| 668 | S | 65.1 | Low | 61.3 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | trans | -70 | 140 | 174.6 | 47.1 | 0 | 0 | 0 | 0 | 112 | A653 D670 L671 | A653-S668 PolarHBondContact O-N 2.83Å; S668-D670 PolarHBondContact O-N 2.69Å; S668-L671 WeakPolarHBondContact O-CD1 3.38Å; S668-L671 WeakPolarHBondContact O-CG 3.35Å; S668-L671 PolarHBondContact O-N 2.79Å | ||
| 669 | D | 59 | Low | 61.7 | Low | 172 Ų | 172 | 92 Ų | 92 | 92% | 0.92 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.5 | -173.7 | -71.3 | -52.9 | 0 | 0 | 0 | 113.7 | L671 | D669-L671 PolarHBondContact O-N 3.08Š|
| 670 | D | 55.7 | Low | 62.6 | Low | 144 Ų | 144 | 87 Ų | 87 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 1.2 | -177.8 | -68.1 | -53.7 | 0 | 0 | 0 | 115.2 | S668 N672 | S668-D670 PolarHBondContact O-N 2.69Å; D670-N672 PolarHBondContact O-N 2.73Å; D670-N672 PolarHBondContact O-ND2 3.26Å |
| 671 | L | 55.3 | Low | 63.8 | Low | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.188 | 42% | 0.416 | C | S | . | . | trans | -70.1 | 67.5 | -173.5 | -74.5 | 170.1 | 0 | 0 | 0 | 114.5 | A653 F667 S668 D669 H673 | A653-L671 HydrophobicContact CB-CD2 4.48Å; F667-L671 HydrophobicContact CB-CD1 3.96Å; F667-L671 HydrophobicContact CD1-CD1 3.87Å; F667-L671 HydrophobicContact CG-CD1 4.41Å; S668-L671 WeakPolarHBondContact O-CD1 3.38Å; S668-L671 WeakPolarHBondContact O-CG 3.35Å; S668-L671 PolarHBondContact O-N 2.79Å; D669-L671 PolarHBondContact O-N 3.08Å; L671-H673 PolarHBondContact O-N 3.28Å | ||
| 672 | N | 49.3 | Very low | 64.5 | Low | 115 Ų | 115 | 73 Ų | 73 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | trans | -69.2 | 83.8 | 172.1 | -80.9 | -77.6 | 0 | 0 | 0 | 111.7 | D670 S674 K675 | D670-N672 PolarHBondContact O-N 2.73Å; D670-N672 PolarHBondContact O-ND2 3.26Å; N672-S674 PolarHBondContact O-N 2.84Å; N672-K675 PolarHBondContact O-N 3.38Å | ||
| 673 | H | 52.5 | Low | 65.3 | Low | 94 Ų | 94 | 67.4 Ų | 67.4 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 1.3 | 178 | -60.2 | -51.5 | 0 | 0 | 0 | 116.1 | L671 | L671-H673 PolarHBondContact O-N 3.28Š|
| 674 | S | 48.3 | Very low | 66.1 | Low | 99 Ų | 99 | 60.6 Ų | 60.6 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -16.8 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | N672 | N672-S674 PolarHBondContact O-N 2.84Š|
| 675 | K | 50.2 | Low | 66.9 | Low | 135 Ų | 135 | 61.4 Ų | 61.4 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -97.3 | 114.5 | 174.3 | -74.2 | -165.2 | 173.6 | -165.9 | 0 | 110.6 | E638 N672 N677 | E638-K675 IonicContact OE1-NZ 3.19Å; N672-K675 PolarHBondContact O-N 3.38Å; K675-N677 PolarHBondContact O-N 2.79Å; K675-N677 VanDerWaalsContact O-N 3.15Å |
| 676 | P | 52.9 | Low | 67.1 | Low | 116 Ų | 116 | 63 Ų | 63 | 75% | 0.753 | 34% | 0.341 | S | S | * | . | trans | -89.3 | 70.8 | -170.9 | 35.9 | -36.6 | 0 | 0 | 0 | 113.9 | ||||
| 677 | N | 64.2 | Low | 67.3 | Low | 52 Ų | 52 | 61 Ų | 61 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -109.9 | 50 | 179.1 | -67 | 28.2 | 0 | 0 | 0 | 113.1 | E634 K675 | E634-N677 PolarHBondContact N-O 3.05Å; E634-N677 VanDerWaalsContact N-O 3.11Å; E634-N677 WeakPolarHBondContact O-CB 3.36Å; E634-N677 PolarHBondContact O-ND2 3Å; E634-N677 VanDerWaalsContact O-ND2 3.09Å; K675-N677 PolarHBondContact O-N 2.79Å; K675-N677 VanDerWaalsContact O-N 3.15Å | ||
| 678 | F | 68.4 | Low | 67.1 | Low | 74 Ų | 74 | 62.3 Ų | 62.3 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -100.6 | 121.9 | -179.7 | -65.2 | -84.2 | 0 | 0 | 0 | 111.5 | T613 H615 Q631 S680 | T613-F678 WeakPolarHBondContact O-CD1 3.23Å; H615-F678 AromaticContact CE1-CD1 3.71Å; H615-F678 AromaticContact CE1-CE1 3.4Å; H615-F678 VanDerWaalsContact CE1-CE1 3.4Å; H615-F678 WeakPolarHBondContact CE1-CE1 3.27Å; H615-F678 AromaticContact NE2-CE1 3.94Å; Q631-F678 HydrophobicContact CG-CD1 4.23Å; Q631-F678 HydrophobicContact CG-CE1 3.94Å; F678-S680 PolarHBondContact O-N 3.24Å |
| 679 | V | 74.6 | Confident | 67 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | trans | -74.8 | 124.5 | 179.7 | -176 | 0 | 0 | 0 | 0 | 110.3 | G614 L632 E634 V648 I681 T702 | G614-V679 WeakPolarHBondContact CA-O 3.37Å; G614-V679 PolarHBondContact N-O 2.62Å; L632-V679 HydrophobicContact CD2-CB 3.9Å; L632-V679 HydrophobicContact CD2-CG1 3.93Å; L632-V679 HydrophobicContact CG-CB 4.06Å; L632-V679 PolarHBondContact O-N 2.85Å; E634-V679 HydrophobicContact CB-CG2 3.68Å; E634-V679 HydrophobicContact CG-CG2 3.94Å; V648-V679 HydrophobicContact CG1-CG2 4.08Å; V648-V679 HydrophobicContact CG2-CG2 4.26Å; V679-I681 PolarHBondContact O-N 2.79Å; V679-T702 HydrophobicContact CG1-CG2 3.6Å | ||
| 680 | S | 78.8 | Confident | 66.9 | Low | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | trans | -77.8 | 107.3 | -179.5 | 177.2 | 0 | 0 | 0 | 0 | 112 | S612 F678 T702 K703 | S612-S680 WeakPolarHBondContact O-CB 3.45Å; S612-S680 PolarHBondContact O-OG 2.99Å; F678-S680 PolarHBondContact O-N 3.24Å; S680-T702 WeakPolarHBondContact O-CA 3.38Å; S680-T702 WeakPolarHBondContact O-CB 3.4Å; S680-K703 PolarHBondContact O-N 3.04Å; S680-K703 WeakPolarHBondContact OG-CD 3.29Å; S680-K703 WeakPolarHBondContact OG-CE 3.29Å; S680-K703 WeakPolarHBondContact OG-CG 3.39Å; S680-K703 PolarHBondContact OG-NZ 3.17Å | ||
| 681 | I | 81.1 | Confident | 66.7 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 142.9 | 168.7 | -58.6 | 167.7 | 0 | 0 | 0 | 110.3 | S611 I616 L632 V679 L684 V700 | S611-I681 WeakPolarHBondContact O-CB 3.5Å; I616-I681 HydrophobicContact CD1-CD1 3.95Å; I616-I681 HydrophobicContact CG1-CD1 3.41Å; I616-I681 VanDerWaalsContact CG1-CD1 3.41Å; L632-I681 HydrophobicContact CD2-CD1 4.26Å; L632-I681 HydrophobicContact CD2-CG1 3.7Å; V679-I681 PolarHBondContact O-N 2.79Å; I681-L684 HydrophobicContact CG2-CD2 3.99Å; I681-L684 HydrophobicContact CG2-CG 4.38Å; I681-V700 HydrophobicContact CD1-CG1 4.41Å; I681-V700 HydrophobicContact CG1-CG1 4.06Å; I681-V700 HydrophobicContact CG2-CG1 4.28Å |
| 682 | A | 80.8 | Confident | 66.4 | Low | 9 Ų | 9 | 55.7 Ų | 55.7 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -49 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V585 C701 T702 K703 M728 | V585-A682 WeakPolarHBondContact CG1-O 3.47Å; A682-C701 PolarHBondContact N-O 2.89Å; A682-T702 VanDerWaalsContact CB-C 3.43Å; A682-K703 HydrophobicContact CB-CG 4.09Å; A682-M728 HydrophobicContact CB-CE 3.83Å |
| 683 | S | 80.9 | Confident | 66.5 | Low | 21 Ų | 21 | 50.9 Ų | 50.9 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 157.6 | 175.6 | 66 | 0 | 0 | 0 | 0 | 113 | S586 H685 C701 | S586-S683 VanDerWaalsContact CB-CA 3.49Å; S586-S683 WeakPolarHBondContact OG-CA 3.39Å; S683-H685 PolarHBondContact OG-CE1 3.47Å; S683-C701 PolarHBondContact N-O 3.11Å; S683-C701 VanDerWaalsContact N-O 3.17Å; S683-C701 PolarHBondContact O-N 2.8Å; S683-C701 VanDerWaalsContact OG-CB 3.28Å; S683-C701 WeakPolarHBondContact OG-CB 3.45Å |
| 684 | L | 81.4 | Confident | 66.6 | Low | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.4 | 171.5 | -64.5 | -169 | 0 | 0 | 0 | 109 | S586 C588 L608 I616 I681 L698 T699 V700 | S586-L684 PolarHBondContact OG-N 3.48Å; C588-L684 HydrophobicContact CB-CB 4.21Å; L608-L684 HydrophobicContact CB-CD1 4.29Å; I616-L684 HydrophobicContact CD1-CD1 4.42Å; I616-L684 HydrophobicContact CD1-CD2 3.76Å; I616-L684 HydrophobicContact CG1-CD1 4.47Å; I616-L684 HydrophobicContact CG1-CD2 4.41Å; I616-L684 HydrophobicContact CG2-CD1 4.07Å; I681-L684 HydrophobicContact CG2-CD2 3.99Å; I681-L684 HydrophobicContact CG2-CG 4.38Å; L684-L698 HydrophobicContact CD2-CD1 4.2Å; L684-T699 CarbonylContact C-O 3.47Å; L684-T699 WeakPolarHBondContact CA-O 3.49Å; L684-V700 HydrophobicContact CD2-CB 4.04Å; L684-V700 HydrophobicContact CD2-CG1 3.79Å; L684-V700 HydrophobicContact CD2-CG2 3.79Å |
| 685 | H | 85.3 | Confident | 67.1 | Low | 60 Ų | 60 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 166.1 | 169.7 | -57.7 | 89.8 | 0 | 0 | 0 | 108.9 | C588 S683 T699 L732 | C588-H685 VanDerWaalsContact CB-C 3.46Å; C588-H685 PolarHBondContact SG-O 2.91Å; S683-H685 PolarHBondContact OG-CE1 3.47Å; H685-T699 PolarHBondContact N-O 2.9Å; H685-T699 PolarHBondContact O-N 2.79Å; H685-L732 HydrophobicContact CB-CD2 4.31Å |
| 686 | W | 79.9 | Confident | 68 | Low | 37 Ų | 37 | 37.6 Ų | 37.6 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.9 | 171.1 | -174.3 | -79.5 | 0 | 0 | 0 | 108.9 | C588 I589 K590 P591 L608 G696 W697 L698 P712 | C588-W686 HydrophobicContact CB-CB 4.1Å; I589-W686 WeakPolarHBondContact O-CB 3.39Å; K590-W686 HydrophobicContact CB-CD2 4.3Å; K590-W686 HydrophobicContact CB-CE3 3.73Å; K590-W686 HydrophobicContact CB-CH2 3.82Å; K590-W686 HydrophobicContact CB-CZ2 4.36Å; K590-W686 HydrophobicContact CB-CZ3 3.47Å; K590-W686 VanDerWaalsContact CB-CZ3 3.47Å; K590-W686 HydrophobicContact CD-CH2 3.85Å; K590-W686 HydrophobicContact CD-CZ3 3.81Å; K590-W686 HydrophobicContact CG-CE3 4.35Å; K590-W686 HydrophobicContact CG-CH2 3.48Å; K590-W686 VanDerWaalsContact CG-CH2 3.48Å; K590-W686 HydrophobicContact CG-CZ2 4.11Å; K590-W686 HydrophobicContact CG-CZ3 3.61Å; P591-W686 VanDerWaalsContact CD-NE1 3.34Å; P591-W686 HydrophobicContact CG-CZ2 4.31Å; L608-W686 HydrophobicContact CD1-CE3 3.81Å; L608-W686 HydrophobicContact CD1-CZ3 3.76Å; W686-G696 WeakPolarHBondContact CZ2-O 3.38Å; W686-W697 WeakPolarHBondContact CA-O 3.42Å; W686-L698 HydrophobicContact CE3-CB 3.74Å; W686-L698 HydrophobicContact CZ3-CB 3.61Å; W686-P712 HydrophobicContact CH2-CB 3.95Å; W686-P712 HydrophobicContact CH2-CG 3.8Å; W686-P712 HydrophobicContact CZ2-CG 4.31Å |
| 687 | I | 77.5 | Confident | 69 | Low | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.1 | -172.8 | -59.3 | -176.2 | 0 | 0 | 0 | 108.9 | G696 W697 T699 L709 V750 I752 | I687-G696 CarbonylContact O-C 3.53Å; I687-G696 WeakPolarHBondContact O-CA 3.21Å; I687-W697 HydrophobicContact CB-CE3 4.35Å; I687-W697 HydrophobicContact CG2-CE3 4.15Å; I687-W697 HydrophobicContact CG2-CZ3 4.36Å; I687-W697 PolarHBondContact N-O 2.64Å; I687-W697 PolarHBondContact O-N 2.78Å; I687-T699 VanDerWaalsContact CD1-OG1 3.31Å; I687-T699 WeakPolarHBondContact CD1-OG1 3.27Å; I687-L709 HydrophobicContact CD1-CD1 4.19Å; I687-V750 HydrophobicContact CG2-CG1 4.08Å; I687-I752 HydrophobicContact CD1-CD1 3.42Å; I687-I752 VanDerWaalsContact CD1-CD1 3.42Å; I687-I752 HydrophobicContact CD1-CG1 4.04Å |
| 688 | T | 68.4 | Low | 69.8 | Low | 60 Ų | 60 | 30.2 Ų | 30.2 | 37% | 0.368 | 16% | 0.161 | S | C | . | . | trans | -96.4 | 121.5 | 172.3 | 49.3 | 0 | 0 | 0 | 0 | 109.7 | G690 | T688-G690 PolarHBondContact O-N 3.19Å; T688-G690 VanDerWaalsContact O-N 3.11Å | ||
| 689 | P | 62.3 | Low | 70.5 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -70.7 | -3.8 | -174.6 | 23.5 | -30.8 | 0 | 0 | 0 | 115.8 | F693 W697 V750 F788 | P689-F693 HydrophobicContact CB-CD2 4.18Å; P689-F693 HydrophobicContact CG-CB 3.96Å; P689-F693 HydrophobicContact CG-CD2 4Å; P689-F693 HydrophobicContact CG-CG 4.34Å; P689-W697 HydrophobicContact CB-CH2 3.61Å; P689-W697 HydrophobicContact CB-CZ3 3.85Å; P689-W697 HydrophobicContact CG-CH2 3.66Å; P689-W697 HydrophobicContact CG-CZ2 4.22Å; P689-W697 HydrophobicContact CG-CZ3 4.03Å; P689-V750 HydrophobicContact CB-CG2 4.17Å; P689-F788 HydrophobicContact CG-CD1 4.02Å; P689-F788 HydrophobicContact CG-CE1 3.95Å |
| 690 | G | 56.6 | Low | 70.8 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 169.7 | 171.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | T688 N692 F693 | T688-G690 PolarHBondContact O-N 3.19Å; T688-G690 VanDerWaalsContact O-N 3.11Å; G690-N692 VanDerWaalsContact C-N 3.32Å; G690-N692 PolarHBondContact O-N 3.01Å; G690-F693 PolarHBondContact O-N 2.61Å |
| 691 | I | 51.9 | Low | 71 | Confident | 136 Ų | 136 | 25.5 Ų | 25.5 | 70% | 0.697 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -32.6 | -172.3 | -65.4 | 166.3 | 0 | 0 | 0 | 112.1 | F693 F736 | I691-F693 VanDerWaalsContact C-N 3.34Å; I691-F736 HydrophobicContact CD1-CE2 4.28Å; I691-F736 HydrophobicContact CD1-CZ 4.21Å; I691-F736 HydrophobicContact CG1-CE2 4.03Å; I691-F736 HydrophobicContact CG1-CZ 3.81Å |
| 692 | N | 49 | Very low | 70.9 | Confident | 127 Ų | 127 | 25.5 Ų | 25.5 | 68% | 0.679 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | 3 | -177.3 | -63.9 | -38.1 | 0 | 0 | 0 | 113.6 | G690 | G690-N692 VanDerWaalsContact C-N 3.32Å; G690-N692 PolarHBondContact O-N 3.01Å |
| 693 | F | 52.1 | Low | 70.3 | Confident | 15 Ų | 15 | 29 Ų | 29 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | trans | -108.6 | 106.5 | -167.7 | -58.2 | -37.4 | 0 | 0 | 0 | 112.5 | P689 G690 I691 H748 F770 F788 | P689-F693 HydrophobicContact CB-CD2 4.18Å; P689-F693 HydrophobicContact CG-CB 3.96Å; P689-F693 HydrophobicContact CG-CD2 4Å; P689-F693 HydrophobicContact CG-CG 4.34Å; G690-F693 PolarHBondContact O-N 2.61Å; I691-F693 VanDerWaalsContact C-N 3.34Å; F693-H748 HydrophobicContact CE2-CB 4.3Å; F693-H748 AromaticContact CE2-CD2 3.73Å; F693-H748 AromaticContact CE2-CE1 3.68Å; F693-H748 AromaticContact CE2-CG 3.61Å; F693-H748 AromaticContact CE2-ND1 3.57Å; F693-H748 AromaticContact CE2-NE2 3.79Å; F693-H748 AromaticContact CZ-CD2 3.68Å; F693-H748 AromaticContact CZ-CE1 3.68Å; F693-H748 AromaticContact CZ-NE2 3.46Å; F693-H748 WeakPolarHBondContact CZ-NE2 3.34Å; F693-F770 HydrophobicContact CD1-CD1 4.26Å; F693-F770 AromaticContact CD1-CD2 3.93Å; F693-F770 HydrophobicContact CD1-CD2 3.93Å; F693-F770 HydrophobicContact CD1-CE1 4.15Å; F693-F770 AromaticContact CD1-CE2 3.84Å; F693-F770 HydrophobicContact CD1-CE2 3.84Å; F693-F770 HydrophobicContact CD1-CG 4.13Å; F693-F770 AromaticContact CD1-CZ 3.95Å; F693-F770 HydrophobicContact CD1-CZ 3.95Å; F693-F770 HydrophobicContact CE1-CB 4.14Å; F693-F770 AromaticContact CE1-CD1 3.36Å; F693-F770 HydrophobicContact CE1-CD1 3.36Å; F693-F770 AromaticContact CE1-CD2 3.74Å; F693-F770 HydrophobicContact CE1-CD2 3.74Å; F693-F770 AromaticContact CE1-CE1 3.53Å; F693-F770 HydrophobicContact CE1-CE1 3.53Å; F693-F770 AromaticContact CE1-CE2 3.91Å; F693-F770 HydrophobicContact CE1-CE2 3.91Å; F693-F770 AromaticContact CE1-CG 3.45Å; F693-F770 HydrophobicContact CE1-CG 3.45Å; F693-F770 VanDerWaalsContact CE1-CG 3.45Å; F693-F770 AromaticContact CE1-CZ 3.81Å; F693-F770 HydrophobicContact CE1-CZ 3.81Å; F693-F770 HydrophobicContact CZ-CB 4.06Å; F693-F770 AromaticContact CZ-CD1 3.96Å; F693-F770 HydrophobicContact CZ-CD1 3.96Å; F693-F770 HydrophobicContact CZ-CD2 4.44Å; F693-F770 AromaticContact CZ-CG 3.89Å; F693-F770 HydrophobicContact CZ-CG 3.89Å; F693-F788 HydrophobicContact CB-CE1 3.66Å; F693-F788 HydrophobicContact CB-CZ 3.65Å; F693-F788 AromaticContact CD1-CE1 3.7Å; F693-F788 HydrophobicContact CD1-CE1 3.7Å; F693-F788 AromaticContact CD1-CZ 3.86Å; F693-F788 HydrophobicContact CD1-CZ 3.86Å; F693-F788 HydrophobicContact CD2-CE1 4.04Å; F693-F788 HydrophobicContact CE1-CE1 4.41Å; F693-F788 AromaticContact CG-CE1 3.51Å; F693-F788 HydrophobicContact CG-CE1 3.51Å; F693-F788 AromaticContact CG-CZ 3.86Å; F693-F788 HydrophobicContact CG-CZ 3.86Å | ||
| 694 | S | 53.9 | Low | 69.7 | Low | 30 Ų | 30 | 31.7 Ų | 31.7 | 21% | 0.21 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -85.2 | -10 | -170.7 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | I593 | I593-S694 WeakPolarHBondContact CD1-OG 3.25Š|
| 695 | L | 59.5 | Low | 69.2 | Low | 19 Ų | 19 | 31.6 Ų | 31.6 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | trans | -105.6 | 128.5 | 163 | -55.2 | 178.4 | 0 | 0 | 0 | 107.4 | I593 N713 N786 F788 | I593-L695 HydrophobicContact CD1-CD2 3.81Å; I593-L695 HydrophobicContact CD1-CG 4.33Å; L695-N713 WeakPolarHBondContact CD2-ND2 3.45Å; L695-N786 HydrophobicContact CD1-CB 4.44Å; L695-F788 HydrophobicContact CB-CD2 4.19Å; L695-F788 HydrophobicContact CB-CE2 3.79Å; L695-F788 HydrophobicContact CD1-CE2 4.33Å; L695-F788 HydrophobicContact CG-CE2 4.32Å | ||
| 696 | G | 69.2 | Low | 68.6 | Low | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -124.4 | -172.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W686 I687 P712 | W686-G696 WeakPolarHBondContact CZ2-O 3.38Å; I687-G696 CarbonylContact O-C 3.53Å; I687-G696 WeakPolarHBondContact O-CA 3.21Å; G696-P712 VanDerWaalsContact O-CD 3.3Å; G696-P712 WeakPolarHBondContact O-CD 3.31Å | ||
| 697 | W | 74.2 | Confident | 68.6 | Low | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.1 | -174.9 | -49.5 | -71.3 | 0 | 0 | 0 | 112.3 | W686 I687 P689 T699 L709 W710 F768 F788 | W686-W697 WeakPolarHBondContact CA-O 3.42Å; I687-W697 HydrophobicContact CB-CE3 4.35Å; I687-W697 HydrophobicContact CG2-CE3 4.15Å; I687-W697 HydrophobicContact CG2-CZ3 4.36Å; I687-W697 PolarHBondContact N-O 2.64Å; I687-W697 PolarHBondContact O-N 2.78Å; P689-W697 HydrophobicContact CB-CH2 3.61Å; P689-W697 HydrophobicContact CB-CZ3 3.85Å; P689-W697 HydrophobicContact CG-CH2 3.66Å; P689-W697 HydrophobicContact CG-CZ2 4.22Å; P689-W697 HydrophobicContact CG-CZ3 4.03Å; W697-T699 PolarHBondContact O-N 3.49Å; W697-L709 HydrophobicContact CB-CD1 4.48Å; W697-L709 HydrophobicContact CB-CD2 3.4Å; W697-L709 VanDerWaalsContact CB-CD2 3.4Å; W697-L709 HydrophobicContact CB-CG 3.61Å; W697-L709 HydrophobicContact CD2-CD2 3.74Å; W697-L709 HydrophobicContact CE3-CD1 4.47Å; W697-L709 HydrophobicContact CE3-CD2 4.12Å; W697-L709 HydrophobicContact CG-CD2 3.4Å; W697-L709 VanDerWaalsContact CG-CD2 3.4Å; W697-L709 HydrophobicContact CG-CG 4.15Å; W697-W710 CarbonylContact C-O 3.57Å; W697-W710 WeakPolarHBondContact CA-O 3.28Å; W697-W710 WeakPolarHBondContact CB-O 3.23Å; W697-F768 HydrophobicContact CE3-CZ 4.49Å; W697-F768 AromaticContact CH2-CD1 3.63Å; W697-F768 HydrophobicContact CH2-CD1 3.63Å; W697-F768 HydrophobicContact CH2-CD2 4.13Å; W697-F768 AromaticContact CH2-CE1 3.11Å; W697-F768 HydrophobicContact CH2-CE1 3.11Å; W697-F768 AromaticContact CH2-CE2 3.65Å; W697-F768 HydrophobicContact CH2-CE2 3.65Å; W697-F768 HydrophobicContact CH2-CG 4.12Å; W697-F768 AromaticContact CH2-CZ 3.13Å; W697-F768 HydrophobicContact CH2-CZ 3.13Å; W697-F768 AromaticContact CZ2-CD1 3.99Å; W697-F768 HydrophobicContact CZ2-CD1 3.99Å; W697-F768 AromaticContact CZ2-CE1 3.49Å; W697-F768 HydrophobicContact CZ2-CE1 3.49Å; W697-F768 VanDerWaalsContact CZ2-CE1 3.49Å; W697-F768 AromaticContact CZ2-CZ 3.94Å; W697-F768 HydrophobicContact CZ2-CZ 3.94Å; W697-F768 AromaticContact CZ3-CE1 3.93Å; W697-F768 HydrophobicContact CZ3-CE1 3.93Å; W697-F768 AromaticContact CZ3-CE2 3.87Å; W697-F768 HydrophobicContact CZ3-CE2 3.87Å; W697-F768 AromaticContact CZ3-CZ 3.46Å; W697-F768 HydrophobicContact CZ3-CZ 3.46Å; W697-F768 VanDerWaalsContact CZ3-CZ 3.46Å; W697-F788 HydrophobicContact CZ2-CB 4.1Å |
| 698 | L | 80.5 | Confident | 68.7 | Low | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 109 | 169.6 | 162.6 | 59.2 | 0 | 0 | 0 | 109 | L608 I616 L650 L684 W686 V700 L709 W710 | L608-L698 HydrophobicContact CD1-CB 4.32Å; L608-L698 HydrophobicContact CD1-CD1 3.85Å; L608-L698 HydrophobicContact CD1-CD2 4.02Å; L608-L698 HydrophobicContact CD1-CG 4.26Å; I616-L698 HydrophobicContact CD1-CD2 4.12Å; L650-L698 HydrophobicContact CD2-CD2 4.03Å; L684-L698 HydrophobicContact CD2-CD1 4.2Å; W686-L698 HydrophobicContact CE3-CB 3.74Å; W686-L698 HydrophobicContact CZ3-CB 3.61Å; L698-V700 HydrophobicContact CD1-CG2 3.93Å; L698-V700 HydrophobicContact CD2-CG2 4.05Å; L698-V700 HydrophobicContact CG-CG2 3.7Å; L698-L709 CarbonylContact O-C 3.56Å; L698-L709 WeakPolarHBondContact O-CA 3.47Å; L698-W710 HydrophobicContact CB-CB 4.19Å; L698-W710 PolarHBondContact N-O 2.85Å; L698-W710 PolarHBondContact O-N 3.08Å |
| 699 | T | 82.3 | Confident | 69.2 | Low | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.6 | 173.1 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | L684 H685 I687 W697 L707 F708 L732 | L684-T699 CarbonylContact C-O 3.47Å; L684-T699 WeakPolarHBondContact CA-O 3.49Å; H685-T699 PolarHBondContact N-O 2.9Å; H685-T699 PolarHBondContact O-N 2.79Å; I687-T699 VanDerWaalsContact CD1-OG1 3.31Å; I687-T699 WeakPolarHBondContact CD1-OG1 3.27Å; W697-T699 PolarHBondContact O-N 3.49Å; T699-L707 HydrophobicContact CG2-CD2 3.84Å; T699-L707 HydrophobicContact CG2-CG 4.14Å; T699-F708 CarbonylContact C-O 3.56Å; T699-F708 WeakPolarHBondContact CA-O 3.37Å; T699-F708 WeakPolarHBondContact CG2-O 3.44Å; T699-L732 HydrophobicContact CG2-CD1 3.96Å |
| 700 | V | 81.2 | Confident | 69.7 | Low | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 109.1 | -178.3 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I616 L632 I681 L684 L698 F708 | I616-V700 HydrophobicContact CD1-CG1 4.17Å; I616-V700 HydrophobicContact CD1-CG2 3.69Å; L632-V700 HydrophobicContact CD2-CG1 4.03Å; I681-V700 HydrophobicContact CD1-CG1 4.41Å; I681-V700 HydrophobicContact CG1-CG1 4.06Å; I681-V700 HydrophobicContact CG2-CG1 4.28Å; L684-V700 HydrophobicContact CD2-CB 4.04Å; L684-V700 HydrophobicContact CD2-CG1 3.79Å; L684-V700 HydrophobicContact CD2-CG2 3.79Å; L698-V700 HydrophobicContact CD1-CG2 3.93Å; L698-V700 HydrophobicContact CD2-CG2 4.05Å; L698-V700 HydrophobicContact CG-CG2 3.7Å; V700-F708 HydrophobicContact CB-CB 4.32Å; V700-F708 PolarHBondContact N-O 3.2Å; V700-F708 PolarHBondContact O-N 2.93Å |
| 701 | C | 82 | Confident | 70.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 145.2 | 171.5 | -55.2 | 0 | 0 | 0 | 0 | 111 | A682 S683 R706 I729 | A682-C701 PolarHBondContact N-O 2.89Å; S683-C701 PolarHBondContact N-O 3.11Å; S683-C701 VanDerWaalsContact N-O 3.17Å; S683-C701 PolarHBondContact O-N 2.8Å; S683-C701 VanDerWaalsContact OG-CB 3.28Å; S683-C701 WeakPolarHBondContact OG-CB 3.45Å; C701-R706 CarbonylContact C-O 3.45Å; C701-R706 WeakPolarHBondContact CA-O 3.39Å; C701-I729 HydrophobicContact CB-CB 4.45Å; C701-I729 HydrophobicContact CB-CD1 4.18Å |
| 702 | T | 80.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 162.3 | 177.8 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | L632 V679 S680 A682 D704 G705 R706 F708 | L632-T702 HydrophobicContact CD2-CG2 4.3Å; V679-T702 HydrophobicContact CG1-CG2 3.6Å; S680-T702 WeakPolarHBondContact O-CA 3.38Å; S680-T702 WeakPolarHBondContact O-CB 3.4Å; A682-T702 VanDerWaalsContact CB-C 3.43Å; T702-D704 PolarHBondContact O-N 3.09Å; T702-D704 PolarHBondContact OG1-N 3.19Å; T702-G705 PolarHBondContact O-N 3.48Å; T702-R706 HydrophobicContact CG2-CB 4.23Å; T702-R706 PolarHBondContact N-O 3.16Å; T702-R706 WeakPolarHBondContact OG1-CB 3.29Å; T702-R706 PolarHBondContact OG1-N 3.43Å; T702-F708 HydrophobicContact CG2-CD2 4.15Å; T702-F708 HydrophobicContact CG2-CE2 3.77Å |
| 703 | K | 68.5 | Low | 71 | Confident | 83 Ų | 83 | 20.9 Ų | 20.9 | 36% | 0.361 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23 | 178.5 | -70.7 | -170.1 | -172.2 | 145.9 | 0 | 113.1 | S680 A682 G705 M728 | S680-K703 PolarHBondContact O-N 3.04Å; S680-K703 WeakPolarHBondContact OG-CD 3.29Å; S680-K703 WeakPolarHBondContact OG-CE 3.29Å; S680-K703 WeakPolarHBondContact OG-CG 3.39Å; S680-K703 PolarHBondContact OG-NZ 3.17Å; A682-K703 HydrophobicContact CB-CG 4.09Å; K703-G705 PolarHBondContact O-N 3.34Å; K703-M728 HydrophobicContact CB-SD 4.18Å; K703-M728 HydrophobicContact CG-CE 4.37Å; K703-M728 HydrophobicContact CG-SD 3.99Å; K703-M728 WeakPolarHBondContact O-CA 3.28Å; K703-M728 WeakPolarHBondContact O-CB 3.22Å |
| 704 | D | 67.6 | Low | 71 | Confident | 77 Ų | 77 | 24.7 Ų | 24.7 | 41% | 0.412 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 11.8 | -179 | -35.8 | -74.3 | 0 | 0 | 0 | 112.3 | T702 K724 | T702-D704 PolarHBondContact O-N 3.09Å; T702-D704 PolarHBondContact OG1-N 3.19Å; D704-K724 VanDerWaalsContact O-CD 3.27Å; D704-K724 WeakPolarHBondContact O-CD 3.42Å; D704-K724 WeakPolarHBondContact O-CE 3.35Å |
| 705 | G | 70.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 88.7 | 3.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | T702 K703 K724 Y725 S727 | T702-G705 PolarHBondContact O-N 3.48Å; K703-G705 PolarHBondContact O-N 3.34Å; G705-K724 CarbonylContact O-C 3.43Å; G705-K724 VanDerWaalsContact O-CA 3.23Å; G705-K724 WeakPolarHBondContact O-CA 3.45Å; G705-Y725 PolarHBondContact O-N 3.43Å; G705-S727 WeakPolarHBondContact CA-O 3.27Å |
| 706 | R | 74 | Confident | 70.5 | Confident | 22 Ų | 22 | 29 Ų | 29 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 151.1 | 179.1 | -42.4 | -166.9 | -173 | 143.6 | 11.5 | 111.4 | E634 V648 C701 T702 F708 V723 K724 S878 | E634-R706 IonicContact OE1-CZ 3.98Å; E634-R706 VanDerWaalsContact OE1-CZ 3.23Å; E634-R706 IonicContact OE1-NH1 2.65Å; E634-R706 PolarHBondContact OE1-NH1 3.23Å; E634-R706 IonicContact OE1-NH2 2.64Å; E634-R706 PolarHBondContact OE1-NH2 2.77Å; V648-R706 VanDerWaalsContact CG2-NH1 3.35Å; C701-R706 CarbonylContact C-O 3.45Å; C701-R706 WeakPolarHBondContact CA-O 3.39Å; T702-R706 HydrophobicContact CG2-CB 4.23Å; T702-R706 PolarHBondContact N-O 3.16Å; T702-R706 WeakPolarHBondContact OG1-CB 3.29Å; T702-R706 PolarHBondContact OG1-N 3.43Å; R706-F708 HydrophobicContact CB-CD2 4.32Å; R706-F708 HydrophobicContact CB-CE2 3.66Å; R706-F708 HydrophobicContact CB-CZ 4.04Å; R706-F708 HydrophobicContact CG-CE2 4.4Å; R706-F708 HydrophobicContact CG-CZ 4.47Å; R706-V723 CarbonylContact C-O 3.57Å; R706-V723 WeakPolarHBondContact CA-O 3.47Å; R706-K724 HydrophobicContact CB-CB 4.22Å; R706-K724 HydrophobicContact CG-CB 3.98Å; R706-K724 HydrophobicContact CG-CD 4.03Å; R706-K724 HydrophobicContact CG-CG 4.3Å; R706-S878 VanDerWaalsContact CZ-CB 3.43Å; R706-S878 VanDerWaalsContact NH2-CB 3.35Å |
| 707 | L | 79.1 | Confident | 69.7 | Low | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 102.7 | 177.1 | -177.6 | 177.2 | 0 | 0 | 0 | 105.4 | T699 S722 V723 Y725 I729 L732 V754 L764 | T699-L707 HydrophobicContact CG2-CD2 3.84Å; T699-L707 HydrophobicContact CG2-CG 4.14Å; L707-S722 CarbonylContact O-C 3.54Å; L707-S722 VanDerWaalsContact O-CA 3.26Å; L707-S722 WeakPolarHBondContact O-CA 3.29Å; L707-V723 WeakPolarHBondContact CA-O 3.31Å; L707-V723 HydrophobicContact CB-CB 4.49Å; L707-V723 WeakPolarHBondContact CB-O 3.34Å; L707-V723 PolarHBondContact N-O 3.4Å; L707-V723 PolarHBondContact O-N 3.43Å; L707-Y725 HydrophobicContact CD1-CE2 4.25Å; L707-I729 HydrophobicContact CB-CD1 3.64Å; L707-I729 HydrophobicContact CD1-CD1 4.36Å; L707-I729 HydrophobicContact CG-CD1 4.37Å; L707-L732 HydrophobicContact CD1-CD1 3.48Å; L707-L732 VanDerWaalsContact CD1-CD1 3.48Å; L707-L732 HydrophobicContact CG-CD1 3.82Å; L707-V754 HydrophobicContact CD1-CG2 3.9Å; L707-L764 HydrophobicContact CD1-CD1 4.48Å |
| 708 | F | 78.9 | Confident | 69 | Low | 14 Ų | 14 | 34.8 Ų | 34.8 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 156.4 | 169.5 | -57.8 | -84.3 | 0 | 0 | 0 | 109.5 | V648 T699 V700 T702 R706 V719 L721 | V648-F708 HydrophobicContact CB-CE1 4.12Å; V648-F708 HydrophobicContact CB-CE2 4.44Å; V648-F708 HydrophobicContact CB-CZ 3.83Å; V648-F708 HydrophobicContact CG1-CE2 4.37Å; V648-F708 HydrophobicContact CG1-CZ 4.25Å; V648-F708 HydrophobicContact CG2-CE1 4.21Å; V648-F708 HydrophobicContact CG2-CE2 4.25Å; V648-F708 HydrophobicContact CG2-CZ 3.55Å; T699-F708 CarbonylContact C-O 3.56Å; T699-F708 WeakPolarHBondContact CA-O 3.37Å; T699-F708 WeakPolarHBondContact CG2-O 3.44Å; V700-F708 HydrophobicContact CB-CB 4.32Å; V700-F708 PolarHBondContact N-O 3.2Å; V700-F708 PolarHBondContact O-N 2.93Å; T702-F708 HydrophobicContact CG2-CD2 4.15Å; T702-F708 HydrophobicContact CG2-CE2 3.77Å; R706-F708 HydrophobicContact CB-CD2 4.32Å; R706-F708 HydrophobicContact CB-CE2 3.66Å; R706-F708 HydrophobicContact CB-CZ 4.04Å; R706-F708 HydrophobicContact CG-CE2 4.4Å; R706-F708 HydrophobicContact CG-CZ 4.47Å; F708-V719 HydrophobicContact CB-CG1 4.09Å; F708-V719 HydrophobicContact CD1-CG1 4.04Å; F708-V719 HydrophobicContact CD1-CG2 4Å; F708-L721 CarbonylContact C-O 3.55Å; F708-L721 WeakPolarHBondContact CA-O 3.39Å |
| 709 | L | 79.3 | Confident | 68.1 | Low | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 111.1 | 179.1 | 179.2 | 155 | 0 | 0 | 0 | 107 | I687 W697 L698 V719 T720 L721 I752 | I687-L709 HydrophobicContact CD1-CD1 4.19Å; W697-L709 HydrophobicContact CB-CD1 4.48Å; W697-L709 HydrophobicContact CB-CD2 3.4Å; W697-L709 VanDerWaalsContact CB-CD2 3.4Å; W697-L709 HydrophobicContact CB-CG 3.61Å; W697-L709 HydrophobicContact CD2-CD2 3.74Å; W697-L709 HydrophobicContact CE3-CD1 4.47Å; W697-L709 HydrophobicContact CE3-CD2 4.12Å; W697-L709 HydrophobicContact CG-CD2 3.4Å; W697-L709 VanDerWaalsContact CG-CD2 3.4Å; W697-L709 HydrophobicContact CG-CG 4.15Å; L698-L709 CarbonylContact O-C 3.56Å; L698-L709 WeakPolarHBondContact O-CA 3.47Å; L709-V719 WeakPolarHBondContact O-CG1 3.3Å; L709-T720 WeakPolarHBondContact O-CA 3.48Å; L709-T720 WeakPolarHBondContact O-CB 3.2Å; L709-T720 PolarHBondContact O-N 3.22Å; L709-T720 PolarHBondContact O-OG1 2.82Å; L709-L721 HydrophobicContact CB-CB 4.1Å; L709-L721 WeakPolarHBondContact CB-O 3.44Å; L709-L721 HydrophobicContact CD2-CB 4.27Å; L709-L721 PolarHBondContact N-O 3.02Å; L709-L721 PolarHBondContact O-N 3.49Å; L709-L721 VanDerWaalsContact O-N 3.14Å; L709-I752 HydrophobicContact CD1-CD1 4.13Å |
| 710 | W | 72.9 | Confident | 67.2 | Low | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134 | -165 | -65.3 | 86.8 | 0 | 0 | 0 | 112.3 | L632 V648 L650 W697 L698 L716 V719 | L632-W710 HydrophobicContact CD1-CZ2 4.22Å; V648-W710 VanDerWaalsContact O-CH2 3.23Å; V648-W710 WeakPolarHBondContact O-CH2 3.33Å; V648-W710 WeakPolarHBondContact O-CZ2 3.48Å; L650-W710 HydrophobicContact CB-CD2 4.25Å; L650-W710 HydrophobicContact CB-CE3 4.12Å; L650-W710 HydrophobicContact CB-CH2 3.58Å; L650-W710 HydrophobicContact CB-CZ2 3.7Å; L650-W710 HydrophobicContact CB-CZ3 3.8Å; L650-W710 HydrophobicContact CD2-CD2 4.1Å; L650-W710 HydrophobicContact CD2-CE3 4.38Å; L650-W710 HydrophobicContact CD2-CG 4.32Å; W697-W710 CarbonylContact C-O 3.57Å; W697-W710 WeakPolarHBondContact CA-O 3.28Å; W697-W710 WeakPolarHBondContact CB-O 3.23Å; L698-W710 HydrophobicContact CB-CB 4.19Å; L698-W710 PolarHBondContact N-O 2.85Å; L698-W710 PolarHBondContact O-N 3.08Å; W710-L716 VanDerWaalsContact CZ3-O 3.24Å; W710-L716 WeakPolarHBondContact CZ3-O 3.36Å; W710-V719 HydrophobicContact CD2-CG2 4.03Å; W710-V719 HydrophobicContact CE3-CB 4.48Å; W710-V719 HydrophobicContact CE3-CG2 3.95Å; W710-V719 HydrophobicContact CH2-CG2 3.43Å; W710-V719 VanDerWaalsContact CH2-CG2 3.43Å; W710-V719 HydrophobicContact CZ2-CG2 3.52Å; W710-V719 HydrophobicContact CZ3-CG2 3.65Å |
| 711 | E | 70.2 | Confident | 66.6 | Low | 26 Ų | 26 | 40.7 Ų | 40.7 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | trans | -81.4 | 131 | 167.6 | -171.1 | 172.5 | -120.7 | 0 | 0 | 110.3 | N713 N714 T720 | E711-N713 PolarHBondContact O-N 2.86Å; E711-N714 PolarHBondContact OE2-ND2 3.2Å; E711-T720 HydrophobicContact CB-CG2 4.39Å; E711-T720 PolarHBondContact N-OG1 2.96Å; E711-T720 VanDerWaalsContact N-OG1 3.07Å | ||
| 712 | P | 56.9 | Low | 66 | Low | 23 Ų | 23 | 43.3 Ų | 43.3 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -79.2 | -11.7 | -170.9 | 31.2 | -39.2 | 0 | 0 | 0 | 115.6 | K590 W686 G696 | K590-P712 HydrophobicContact CD-CB 4.49Å; W686-P712 HydrophobicContact CH2-CB 3.95Å; W686-P712 HydrophobicContact CH2-CG 3.8Å; W686-P712 HydrophobicContact CZ2-CG 4.31Å; G696-P712 VanDerWaalsContact O-CD 3.3Å; G696-P712 WeakPolarHBondContact O-CD 3.31Å |
| 713 | N | 56.9 | Low | 65.5 | Low | 108 Ų | 108 | 44.4 Ų | 44.4 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -113.2 | -26.8 | -162.3 | -79.4 | 22.4 | 0 | 0 | 0 | 114.9 | L695 E711 | L695-N713 WeakPolarHBondContact CD2-ND2 3.45Å; E711-N713 PolarHBondContact O-N 2.86Å |
| 714 | N | 52.2 | Low | 65.5 | Low | 96 Ų | 96 | 41.5 Ų | 41.5 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -81 | 159.9 | 167.2 | -80.3 | -53.7 | 0 | 0 | 0 | 110.2 | E711 L716 | E711-N714 PolarHBondContact OE2-ND2 3.2Å; N714-L716 PolarHBondContact O-N 3.2Å |
| 715 | S | 52 | Low | 65.2 | Low | 89 Ų | 89 | 39 Ų | 39 | 62% | 0.622 | 23% | 0.229 | S | C | * | . | trans | -53.5 | 129.4 | -174.9 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | S717 S718 | S715-S717 PolarHBondContact O-N 2.75Å; S715-S717 PolarHBondContact O-OG 2.79Å; S715-S718 PolarHBondContact O-N 3.06Å; S715-S718 PolarHBondContact O-OG 2.77Å | ||
| 716 | L | 52.2 | Low | 64.4 | Low | 51 Ų | 51 | 40.8 Ų | 40.8 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 19.5 | -162.7 | -83.1 | 75.7 | 0 | 0 | 0 | 117.3 | Y630 L650 W710 N714 | Y630-L716 HydrophobicContact CD1-CD2 3.48Å; Y630-L716 VanDerWaalsContact CD1-CD2 3.48Å; Y630-L716 HydrophobicContact CE1-CD2 3.21Å; Y630-L716 HydrophobicContact CG-CD2 4.42Å; L650-L716 HydrophobicContact CD2-CD2 4.25Å; L650-L716 HydrophobicContact CG-CD2 4.36Å; W710-L716 VanDerWaalsContact CZ3-O 3.24Å; W710-L716 WeakPolarHBondContact CZ3-O 3.36Å; N714-L716 PolarHBondContact O-N 3.2Å |
| 717 | S | 52.1 | Low | 63.3 | Low | 75 Ų | 75 | 40.9 Ų | 40.9 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.3 | 163.8 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | S715 V719 | S715-S717 PolarHBondContact O-N 2.75Å; S715-S717 PolarHBondContact O-OG 2.79Å; S717-V719 PolarHBondContact O-N 3.48Å |
| 718 | S | 58.9 | Low | 62.6 | Low | 49 Ų | 49 | 44.2 Ų | 44.2 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | trans | -85.9 | 100.8 | -173.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | S715 | S715-S718 PolarHBondContact O-N 3.06Å; S715-S718 PolarHBondContact O-OG 2.77Å | ||
| 719 | V | 61.6 | Low | 62.1 | Low | 45 Ų | 45 | 43.8 Ų | 43.8 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.6 | 158.7 | -170 | 0 | 0 | 0 | 0 | 109.1 | F708 L709 W710 S717 L721 | F708-V719 HydrophobicContact CB-CG1 4.09Å; F708-V719 HydrophobicContact CD1-CG1 4.04Å; F708-V719 HydrophobicContact CD1-CG2 4Å; L709-V719 WeakPolarHBondContact O-CG1 3.3Å; W710-V719 HydrophobicContact CD2-CG2 4.03Å; W710-V719 HydrophobicContact CE3-CB 4.48Å; W710-V719 HydrophobicContact CE3-CG2 3.95Å; W710-V719 HydrophobicContact CH2-CG2 3.43Å; W710-V719 VanDerWaalsContact CH2-CG2 3.43Å; W710-V719 HydrophobicContact CZ2-CG2 3.52Å; W710-V719 HydrophobicContact CZ3-CG2 3.65Å; S717-V719 PolarHBondContact O-N 3.48Å; V719-L721 WeakPolarHBondContact CG1-O 3.42Å |
| 720 | T | 63.7 | Low | 61.6 | Low | 56 Ų | 56 | 45 Ų | 45 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -33.8 | 175.7 | -1 | 0 | 0 | 0 | 0 | 113.2 | L709 E711 | L709-T720 WeakPolarHBondContact O-CA 3.48Å; L709-T720 WeakPolarHBondContact O-CB 3.2Å; L709-T720 PolarHBondContact O-N 3.22Å; L709-T720 PolarHBondContact O-OG1 2.82Å; E711-T720 HydrophobicContact CB-CG2 4.39Å; E711-T720 PolarHBondContact N-OG1 2.96Å; E711-T720 VanDerWaalsContact N-OG1 3.07Å |
| 721 | L | 68.7 | Low | 61.4 | Low | 32 Ų | 32 | 45.3 Ų | 45.3 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 136.6 | 171.1 | 174 | 69.4 | 0 | 0 | 0 | 110.5 | F708 L709 V719 V723 L766 | F708-L721 CarbonylContact C-O 3.55Å; F708-L721 WeakPolarHBondContact CA-O 3.39Å; L709-L721 HydrophobicContact CB-CB 4.1Å; L709-L721 WeakPolarHBondContact CB-O 3.44Å; L709-L721 HydrophobicContact CD2-CB 4.27Å; L709-L721 PolarHBondContact N-O 3.02Å; L709-L721 PolarHBondContact O-N 3.49Å; L709-L721 VanDerWaalsContact O-N 3.14Å; V719-L721 WeakPolarHBondContact CG1-O 3.42Å; L721-V723 HydrophobicContact CD1-CG2 4.13Å; L721-V723 HydrophobicContact CD2-CG2 4.33Å; L721-V723 HydrophobicContact CG-CG2 4.14Å; L721-L766 HydrophobicContact CD2-CD1 4.5Å; L721-L766 HydrophobicContact CD2-CD2 4.07Å |
| 722 | S | 70.2 | Confident | 61.7 | Low | 55 Ų | 55 | 44.6 Ų | 44.6 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125.4 | 169.2 | 65 | 0 | 0 | 0 | 0 | 112.2 | L707 | L707-S722 CarbonylContact O-C 3.54Å; L707-S722 VanDerWaalsContact O-CA 3.26Å; L707-S722 WeakPolarHBondContact O-CA 3.29Å |
| 723 | V | 69.2 | Low | 62.8 | Low | 22 Ų | 22 | 45.7 Ų | 45.7 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148 | 175.4 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | R706 L707 L721 Y725 | R706-V723 CarbonylContact C-O 3.57Å; R706-V723 WeakPolarHBondContact CA-O 3.47Å; L707-V723 WeakPolarHBondContact CA-O 3.31Å; L707-V723 HydrophobicContact CB-CB 4.49Å; L707-V723 WeakPolarHBondContact CB-O 3.34Å; L707-V723 PolarHBondContact N-O 3.4Å; L707-V723 PolarHBondContact O-N 3.43Å; L721-V723 HydrophobicContact CD1-CG2 4.13Å; L721-V723 HydrophobicContact CD2-CG2 4.33Å; L721-V723 HydrophobicContact CG-CG2 4.14Å; V723-Y725 HydrophobicContact CB-CE2 4.28Å; V723-Y725 HydrophobicContact CG1-CD2 4.36Å; V723-Y725 HydrophobicContact CG1-CE2 3.65Å |
| 724 | K | 67.5 | Low | 63.7 | Low | 23 Ų | 23 | 42.3 Ų | 42.3 | 10% | 0.1 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.5 | 163.9 | 156.4 | 179.4 | 166.1 | -171.9 | 0 | 110.5 | D704 G705 R706 D830 I876 | D704-K724 VanDerWaalsContact O-CD 3.27Å; D704-K724 WeakPolarHBondContact O-CD 3.42Å; D704-K724 WeakPolarHBondContact O-CE 3.35Å; G705-K724 CarbonylContact O-C 3.43Å; G705-K724 VanDerWaalsContact O-CA 3.23Å; G705-K724 WeakPolarHBondContact O-CA 3.45Å; R706-K724 HydrophobicContact CB-CB 4.22Å; R706-K724 HydrophobicContact CG-CB 3.98Å; R706-K724 HydrophobicContact CG-CD 4.03Å; R706-K724 HydrophobicContact CG-CG 4.3Å; K724-D830 PolarHBondContact NZ-O 3.48Å; K724-I876 HydrophobicContact CB-CB 3.71Å; K724-I876 HydrophobicContact CB-CD1 3.68Å; K724-I876 HydrophobicContact CB-CG1 3.5Å; K724-I876 VanDerWaalsContact CB-CG1 3.5Å; K724-I876 HydrophobicContact CB-CG2 3.7Å; K724-I876 HydrophobicContact CD-CB 4.35Å; K724-I876 HydrophobicContact CD-CG1 3.81Å; K724-I876 HydrophobicContact CD-CG2 3.72Å; K724-I876 HydrophobicContact CG-CB 4.36Å; K724-I876 HydrophobicContact CG-CD1 4.06Å; K724-I876 HydrophobicContact CG-CG1 3.73Å; K724-I876 HydrophobicContact CG-CG2 4.16Å; K724-I876 WeakPolarHBondContact O-CD1 3.09Å |
| 725 | Y | 62.7 | Low | 64.6 | Low | 25 Ų | 25 | 38 Ų | 38 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | trans | -115.9 | 158.8 | 176.8 | -64.6 | -88.9 | 0 | 0 | 0 | 110.6 | G705 L707 V723 S727 I729 V754 T756 A762 | G705-Y725 PolarHBondContact O-N 3.43Å; L707-Y725 HydrophobicContact CD1-CE2 4.25Å; V723-Y725 HydrophobicContact CB-CE2 4.28Å; V723-Y725 HydrophobicContact CG1-CD2 4.36Å; V723-Y725 HydrophobicContact CG1-CE2 3.65Å; Y725-S727 PolarHBondContact O-N 3.17Å; Y725-I729 HydrophobicContact CD2-CD1 3.83Å; Y725-I729 HydrophobicContact CD2-CG1 3.96Å; Y725-I729 HydrophobicContact CE2-CD1 4.26Å; Y725-V754 HydrophobicContact CD2-CG1 4.01Å; Y725-V754 HydrophobicContact CE1-CB 4.44Å; Y725-V754 HydrophobicContact CE1-CG1 4.49Å; Y725-V754 HydrophobicContact CE2-CB 4.11Å; Y725-V754 HydrophobicContact CE2-CG1 3.68Å; Y725-V754 HydrophobicContact CE2-CG2 4.17Å; Y725-T756 HydrophobicContact CD1-CG2 3.89Å; Y725-T756 HydrophobicContact CG-CG2 3.8Å; Y725-A762 HydrophobicContact CE1-CB 3.8Å | ||
| 726 | P | 53 | Low | 65.3 | Low | 37 Ų | 37 | 37.3 Ų | 37.3 | 24% | 0.24 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -70.7 | 12.3 | -173.7 | 27.6 | -36.6 | 0 | 0 | 0 | 114.9 | E832 | P726-E832 WeakPolarHBondContact CA-OE1 3.31Š|
| 727 | S | 51 | Low | 65.8 | Low | 23 Ų | 23 | 37.1 Ų | 37.1 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -161.8 | 171.5 | 164.9 | 66.4 | 0 | 0 | 0 | 0 | 109.9 | G705 Y725 I729 C757 S758 | G705-S727 WeakPolarHBondContact CA-O 3.27Å; Y725-S727 PolarHBondContact O-N 3.17Å; S727-I729 PolarHBondContact O-N 2.67Å; S727-C757 PolarHBondContact OG-N 2.83Å; S727-S758 VanDerWaalsContact OG-CB 3.25Å; S727-S758 WeakPolarHBondContact OG-CB 3.41Å; S727-S758 PolarHBondContact OG-N 2.73Å; S727-S758 PolarHBondContact OG-OG 2.78Å |
| 728 | M | 64.2 | Low | 66.1 | Low | 70 Ų | 70 | 37.5 Ų | 37.5 | 35% | 0.345 | 22% | 0.217 | S | C | . | . | trans | -42 | 130.6 | 170.2 | -177 | 163.5 | 164 | 0 | 0 | 112.1 | A682 K703 S730 C757 | A682-M728 HydrophobicContact CB-CE 3.83Å; K703-M728 HydrophobicContact CB-SD 4.18Å; K703-M728 HydrophobicContact CG-CE 4.37Å; K703-M728 HydrophobicContact CG-SD 3.99Å; K703-M728 WeakPolarHBondContact O-CA 3.28Å; K703-M728 WeakPolarHBondContact O-CB 3.22Å; M728-S730 PolarHBondContact O-N 3.13Å; M728-C757 HydrophobicContact CB-CB 4.25Å; M728-C757 WeakPolarHBondContact O-CB 3.32Å; M728-C757 PolarHBondContact O-N 2.82Å; M728-C757 PolarHBondContact O-SG 2.83Å | ||
| 729 | I | 69.3 | Low | 65.8 | Low | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.8 | 173.5 | -64.7 | 169.1 | 0 | 0 | 0 | 108.3 | C701 L707 Y725 S727 V754 | C701-I729 HydrophobicContact CB-CB 4.45Å; C701-I729 HydrophobicContact CB-CD1 4.18Å; L707-I729 HydrophobicContact CB-CD1 3.64Å; L707-I729 HydrophobicContact CD1-CD1 4.36Å; L707-I729 HydrophobicContact CG-CD1 4.37Å; Y725-I729 HydrophobicContact CD2-CD1 3.83Å; Y725-I729 HydrophobicContact CD2-CG1 3.96Å; Y725-I729 HydrophobicContact CE2-CD1 4.26Å; S727-I729 PolarHBondContact O-N 2.67Å; I729-V754 HydrophobicContact CB-CG1 4.48Å; I729-V754 HydrophobicContact CD1-CG1 4.15Å; I729-V754 HydrophobicContact CG1-CG1 4.02Å; I729-V754 HydrophobicContact CG2-CG1 3.73Å |
| 730 | S | 67.4 | Low | 65.4 | Low | 31 Ų | 31 | 42.3 Ų | 42.3 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -41.7 | 178.5 | 59 | 0 | 0 | 0 | 0 | 111.5 | Y325 C326 M728 A755 | Y325-S730 WeakPolarHBondContact OH-CB 3.38Å; C326-S730 VanDerWaalsContact O-CB 3.27Å; C326-S730 WeakPolarHBondContact O-CB 3.24Å; C326-S730 PolarHBondContact O-OG 3.33Å; M728-S730 PolarHBondContact O-N 3.13Å; S730-A755 PolarHBondContact N-O 2.77Å; S730-A755 PolarHBondContact OG-O 2.98Å |
| 731 | A | 68.9 | Low | 64.6 | Low | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L329 A755 | L329-A731 HydrophobicContact CB-CB 3.77Å; A731-A755 HydrophobicContact CB-CB 4.29Å; A731-A755 PolarHBondContact N-O 3.23Å; A731-A755 PolarHBondContact O-N 2.94Å |
| 732 | L | 77.1 | Confident | 63.6 | Low | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 138.5 | 176 | -179.5 | 153.6 | 0 | 0 | 0 | 108.2 | H685 T699 L707 I752 S753 V754 | H685-L732 HydrophobicContact CB-CD2 4.31Å; T699-L732 HydrophobicContact CG2-CD1 3.96Å; L707-L732 HydrophobicContact CD1-CD1 3.48Å; L707-L732 VanDerWaalsContact CD1-CD1 3.48Å; L707-L732 HydrophobicContact CG-CD1 3.82Å; L732-I752 HydrophobicContact CD1-CG2 4.03Å; L732-I752 HydrophobicContact CD2-CG2 3.94Å; L732-I752 HydrophobicContact CG-CG2 3.77Å; L732-S753 WeakPolarHBondContact CA-O 3.42Å; L732-V754 HydrophobicContact CD1-CG2 4.32Å; L732-V754 HydrophobicContact CG-CG2 4.46Å |
| 733 | D | 79.3 | Confident | 62.6 | Low | 45 Ų | 45 | 54.3 Ų | 54.3 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 162.4 | 169 | -174.9 | 39.9 | 0 | 0 | 0 | 111.1 | L329 I330 I331 I752 S753 | L329-D733 HydrophobicContact CD2-CB 4.47Å; L329-D733 WeakPolarHBondContact O-CB 3.47Å; I330-D733 VanDerWaalsContact CA-OD2 3.25Å; I330-D733 WeakPolarHBondContact CA-OD2 3.3Å; I331-D733 PolarHBondContact N-OD2 3.4Å; D733-I752 CarbonylContact O-C 3.57Å; D733-I752 WeakPolarHBondContact O-CA 3.07Å; D733-I752 WeakPolarHBondContact O-CG2 3.5Å; D733-S753 PolarHBondContact N-O 3.37Å; D733-S753 VanDerWaalsContact N-O 3.09Å; D733-S753 PolarHBondContact O-N 2.8Å; D733-S753 PolarHBondContact O-OG 2.8Å |
| 734 | S | 76.3 | Confident | 61.9 | Low | 37 Ų | 37 | 56.9 Ų | 56.9 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 139.9 | -174.5 | 65.5 | 0 | 0 | 0 | 0 | 115 | Y751 | S734-Y751 CarbonylContact C-O 3.55Å; S734-Y751 WeakPolarHBondContact CA-O 3.47Å; S734-Y751 WeakPolarHBondContact CB-O 3.32Å |
| 735 | S | 72.1 | Confident | 61.2 | Low | 7 Ų | 7 | 59.9 Ų | 59.9 | 5% | 0.049 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 116.4 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 113.4 | R335 Y751 | R335-S735 PolarHBondContact NH2-O 3.4Å; S735-Y751 PolarHBondContact N-O 3.31Å; S735-Y751 PolarHBondContact O-N 2.89Å |
| 736 | F | 66.8 | Low | 60.8 | Low | 74 Ų | 74 | 60.8 Ų | 60.8 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 166.1 | 177.9 | 70.8 | -88.5 | 0 | 0 | 0 | 112.9 | I691 Q749 V750 | I691-F736 HydrophobicContact CD1-CE2 4.28Å; I691-F736 HydrophobicContact CD1-CZ 4.21Å; I691-F736 HydrophobicContact CG1-CE2 4.03Å; I691-F736 HydrophobicContact CG1-CZ 3.81Å; F736-Q749 CarbonylContact C-O 3.47Å; F736-Q749 WeakPolarHBondContact CA-O 3.44Å; F736-V750 HydrophobicContact CB-CG2 4.02Å |
| 737 | S | 61.6 | Low | 61.2 | Low | 46 Ų | 46 | 63.1 Ų | 63.1 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 151.4 | 164.2 | -172.1 | 0 | 0 | 0 | 0 | 109 | R335 Q749 | R335-S737 VanDerWaalsContact NE-CB 3.34Å; R335-S737 VanDerWaalsContact NH1-CB 3.34Å; S737-Q749 PolarHBondContact N-O 2.82Å; S737-Q749 PolarHBondContact O-N 2.92Å |
| 738 | E | 59.1 | Low | 61.7 | Low | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.5 | -177.7 | -39.6 | -168.8 | 137.1 | 0 | 0 | 107 | G740 H748 | E738-G740 PolarHBondContact O-N 2.87Å; E738-H748 WeakPolarHBondContact CG-ND1 3.21Å; E738-H748 IonicContact OE1-CE1 2.66Å; E738-H748 PolarHBondContact OE1-CE1 2.63Å; E738-H748 VanDerWaalsContact OE1-CE1 3.22Å; E738-H748 IonicContact OE1-ND1 2.76Å; E738-H748 PolarHBondContact OE1-ND1 2.98Å |
| 739 | K | 53.1 | Low | 61.8 | Low | 111 Ų | 111 | 59.9 Ų | 59.9 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 104.5 | 173.3 | -89.1 | 175.6 | 172.1 | 158.2 | 0 | 108 | T741 Q747 Q749 | K739-T741 PolarHBondContact O-N 2.62Å; K739-Q747 PolarHBondContact N-O 3.38Å; K739-Q749 HydrophobicContact CD-CG 4.44Å; K739-Q749 VanDerWaalsContact NZ-CD 3.31Å |
| 740 | G | 52.9 | Low | 61.8 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 87% | 0.866 | 36% | 0.361 | S | S | * | . | trans | -66.1 | 85.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E738 | E738-G740 PolarHBondContact O-N 2.87Š| ||
| 741 | T | 45.3 | Very low | 61.9 | Low | 73 Ų | 73 | 60.8 Ų | 60.8 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | trans | -79.4 | 134.8 | 166.5 | 43.1 | 0 | 0 | 0 | 0 | 109.7 | K739 N743 N745 | K739-T741 PolarHBondContact O-N 2.62Å; T741-N743 PolarHBondContact O-N 2.92Å; T741-N745 PolarHBondContact OG1-O 2.66Å | ||
| 742 | L | 49.3 | Very low | 62.1 | Low | 175 Ų | 175 | 60.3 Ų | 60.3 | 92% | 0.916 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -73.2 | -5 | -177.2 | -79.8 | 165.8 | 0 | 0 | 0 | 114.5 | ||
| 743 | N | 49.5 | Very low | 61.8 | Low | 146 Ų | 146 | 59.7 Ų | 59.7 | 78% | 0.781 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -118.9 | 63.9 | -168.7 | -68.3 | -0.9 | 0 | 0 | 0 | 112.9 | T741 N745 | T741-N743 PolarHBondContact O-N 2.92Å; N743-N745 VanDerWaalsContact C-N 3.29Å; N743-N745 PolarHBondContact O-N 3.04Å |
| 744 | G | 53.4 | Low | 61.4 | Low | 76 Ų | 76 | 57.6 Ų | 57.6 | 78% | 0.784 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 75.3 | -57.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117 | A746 | G744-A746 PolarHBondContact O-N 3.44Š|
| 745 | N | 53.3 | Low | 60.6 | Low | 86 Ų | 86 | 55.9 Ų | 55.9 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | trans | -83.6 | 97.8 | -176.9 | -69.8 | 43.1 | 0 | 0 | 0 | 109.6 | T741 N743 Q747 E769 | T741-N745 PolarHBondContact OG1-O 2.66Å; N743-N745 VanDerWaalsContact C-N 3.29Å; N743-N745 PolarHBondContact O-N 3.04Å; N745-Q747 PolarHBondContact O-N 3.06Å; N745-E769 PolarHBondContact ND2-OE1 3.07Å | ||
| 746 | A | 54.3 | Low | 60.1 | Low | 45 Ų | 45 | 55.7 Ų | 55.7 | 37% | 0.372 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 116.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G744 H748 | G744-A746 PolarHBondContact O-N 3.44Å; A746-H748 WeakPolarHBondContact CB-NE2 3.47Å; A746-H748 PolarHBondContact O-CD2 2.86Å |
| 747 | Q | 60.2 | Low | 59.4 | Low | 85 Ų | 85 | 54 Ų | 54 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 117.3 | 173.8 | -71.6 | -174.8 | -13.2 | 0 | 0 | 109.8 | K739 N745 L791 | K739-Q747 PolarHBondContact N-O 3.38Å; N745-Q747 PolarHBondContact O-N 3.06Å; Q747-L791 HydrophobicContact CG-CD1 4.14Å |
| 748 | H | 62.6 | Low | 58.8 | Low | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.065 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.5 | 178.3 | -65.4 | -94.7 | 0 | 0 | 0 | 108.9 | F693 E738 A746 F768 | F693-H748 HydrophobicContact CE2-CB 4.3Å; F693-H748 AromaticContact CE2-CD2 3.73Å; F693-H748 AromaticContact CE2-CE1 3.68Å; F693-H748 AromaticContact CE2-CG 3.61Å; F693-H748 AromaticContact CE2-ND1 3.57Å; F693-H748 AromaticContact CE2-NE2 3.79Å; F693-H748 AromaticContact CZ-CD2 3.68Å; F693-H748 AromaticContact CZ-CE1 3.68Å; F693-H748 AromaticContact CZ-NE2 3.46Å; F693-H748 WeakPolarHBondContact CZ-NE2 3.34Å; E738-H748 WeakPolarHBondContact CG-ND1 3.21Å; E738-H748 IonicContact OE1-CE1 2.66Å; E738-H748 PolarHBondContact OE1-CE1 2.63Å; E738-H748 VanDerWaalsContact OE1-CE1 3.22Å; E738-H748 IonicContact OE1-ND1 2.76Å; E738-H748 PolarHBondContact OE1-ND1 2.98Å; A746-H748 WeakPolarHBondContact CB-NE2 3.47Å; A746-H748 PolarHBondContact O-CD2 2.86Å; H748-F768 PolarHBondContact N-O 3.46Å; H748-F768 VanDerWaalsContact N-O 3.09Å; H748-F768 PolarHBondContact O-N 3.06Å |
| 749 | Q | 66.9 | Low | 58.2 | Low | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150.2 | 176.5 | -52.9 | -167.7 | -81.6 | 0 | 0 | 109.4 | R335 F736 S737 K739 L766 N767 | R335-Q749 VanDerWaalsContact NH1-OE1 3.13Å; R335-Q749 PolarHBondContact NH2-O 3.03Å; F736-Q749 CarbonylContact C-O 3.47Å; F736-Q749 WeakPolarHBondContact CA-O 3.44Å; S737-Q749 PolarHBondContact N-O 2.82Å; S737-Q749 PolarHBondContact O-N 2.92Å; K739-Q749 HydrophobicContact CD-CG 4.44Å; K739-Q749 VanDerWaalsContact NZ-CD 3.31Å; Q749-L766 CarbonylContact C-O 3.42Å; Q749-L766 VanDerWaalsContact CA-O 3.28Å; Q749-L766 WeakPolarHBondContact CA-O 3.38Å; Q749-N767 WeakPolarHBondContact CG-OD1 3.08Å; Q749-N767 PolarHBondContact NE2-OD1 3.38Å |
| 750 | V | 68.4 | Low | 58.3 | Low | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 114 | 176.6 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | I687 P689 F736 L766 F768 | I687-V750 HydrophobicContact CG2-CG1 4.08Å; P689-V750 HydrophobicContact CB-CG2 4.17Å; F736-V750 HydrophobicContact CB-CG2 4.02Å; V750-L766 HydrophobicContact CB-CB 4.4Å; V750-L766 PolarHBondContact N-O 3.48Å; V750-L766 WeakPolarHBondContact O-CA 3.37Å; V750-L766 VanDerWaalsContact O-CB 3.24Å; V750-L766 WeakPolarHBondContact O-CB 3.34Å; V750-L766 PolarHBondContact O-N 2.82Å; V750-F768 HydrophobicContact CB-CE2 4.12Å; V750-F768 HydrophobicContact CG2-CD2 3.96Å; V750-F768 HydrophobicContact CG2-CE2 3.84Å |
| 751 | Y | 69.5 | Low | 58.3 | Low | 52 Ų | 52 | 40.4 Ų | 40.4 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.8 | 172.5 | -69.6 | -99.8 | 0 | 0 | 0 | 109.2 | R335 S734 S735 L764 D765 | R335-Y751 HydrophobicContact CG-CD2 4.42Å; R335-Y751 VanDerWaalsContact CZ-CD2 3.4Å; S734-Y751 CarbonylContact C-O 3.55Å; S734-Y751 WeakPolarHBondContact CA-O 3.47Å; S734-Y751 WeakPolarHBondContact CB-O 3.32Å; S735-Y751 PolarHBondContact N-O 3.31Å; S735-Y751 PolarHBondContact O-N 2.89Å; Y751-L764 CarbonylContact C-O 3.55Å; Y751-L764 WeakPolarHBondContact CA-O 3.47Å; Y751-D765 HydrophobicContact CD1-CB 3.86Å; Y751-D765 HydrophobicContact CE1-CB 3.48Å; Y751-D765 VanDerWaalsContact CE1-CB 3.48Å; Y751-D765 WeakPolarHBondContact CE1-OD2 3.22Å; Y751-D765 WeakPolarHBondContact CE2-OD1 3.43Å; Y751-D765 PolarHBondContact OH-OD1 2.82Å; Y751-D765 PolarHBondContact OH-OD2 3.17Å |
| 752 | I | 73.9 | Confident | 59.1 | Low | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.4 | 168.8 | -51.4 | 177.9 | 0 | 0 | 0 | 108.8 | I687 L709 L732 D733 V754 L764 L766 | I687-I752 HydrophobicContact CD1-CD1 3.42Å; I687-I752 VanDerWaalsContact CD1-CD1 3.42Å; I687-I752 HydrophobicContact CD1-CG1 4.04Å; L709-I752 HydrophobicContact CD1-CD1 4.13Å; L732-I752 HydrophobicContact CD1-CG2 4.03Å; L732-I752 HydrophobicContact CD2-CG2 3.94Å; L732-I752 HydrophobicContact CG-CG2 3.77Å; D733-I752 CarbonylContact O-C 3.57Å; D733-I752 WeakPolarHBondContact O-CA 3.07Å; D733-I752 WeakPolarHBondContact O-CG2 3.5Å; I752-V754 HydrophobicContact CG2-CG2 4.18Å; I752-L764 HydrophobicContact CB-CB 4.2Å; I752-L764 HydrophobicContact CB-CD1 4.15Å; I752-L764 HydrophobicContact CG2-CD1 4.47Å; I752-L764 PolarHBondContact N-O 3.19Å; I752-L764 WeakPolarHBondContact O-CB 3.36Å; I752-L764 PolarHBondContact O-N 2.9Å; I752-L766 HydrophobicContact CD1-CD1 3.5Å; I752-L766 HydrophobicContact CD1-CG 4.49Å; I752-L766 HydrophobicContact CG1-CD1 4.02Å |
| 753 | S | 70.7 | Confident | 59.9 | Low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134 | 178.3 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | L329 I331 L732 D733 A762 | L329-S753 VanDerWaalsContact CD2-CB 3.43Å; L329-S753 WeakPolarHBondContact CD2-OG 3.43Å; I331-S753 WeakPolarHBondContact CD1-OG 3.13Å; I331-S753 WeakPolarHBondContact CG1-OG 3.48Å; L732-S753 WeakPolarHBondContact CA-O 3.42Å; D733-S753 PolarHBondContact N-O 3.37Å; D733-S753 VanDerWaalsContact N-O 3.09Å; D733-S753 PolarHBondContact O-N 2.8Å; D733-S753 PolarHBondContact O-OG 2.8Å; S753-A762 WeakPolarHBondContact CA-O 3.06Å |
| 754 | V | 69.9 | Low | 60.5 | Low | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 129.7 | -172.9 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | L707 Y725 I729 L732 I752 A762 L764 | L707-V754 HydrophobicContact CD1-CG2 3.9Å; Y725-V754 HydrophobicContact CD2-CG1 4.01Å; Y725-V754 HydrophobicContact CE1-CB 4.44Å; Y725-V754 HydrophobicContact CE1-CG1 4.49Å; Y725-V754 HydrophobicContact CE2-CB 4.11Å; Y725-V754 HydrophobicContact CE2-CG1 3.68Å; Y725-V754 HydrophobicContact CE2-CG2 4.17Å; I729-V754 HydrophobicContact CB-CG1 4.48Å; I729-V754 HydrophobicContact CD1-CG1 4.15Å; I729-V754 HydrophobicContact CG1-CG1 4.02Å; I729-V754 HydrophobicContact CG2-CG1 3.73Å; L732-V754 HydrophobicContact CD1-CG2 4.32Å; L732-V754 HydrophobicContact CG-CG2 4.46Å; I752-V754 HydrophobicContact CG2-CG2 4.18Å; V754-A762 PolarHBondContact N-O 3.14Å; V754-A762 PolarHBondContact O-N 2.96Å; V754-L764 HydrophobicContact CG2-CD1 4.39Å |
| 755 | A | 60.4 | Low | 61.3 | Low | 2 Ų | 2 | 20.3 Ų | 20.3 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C326 L329 S730 A731 | C326-A755 HydrophobicContact CB-CB 3.95Å; L329-A755 HydrophobicContact CD1-CB 3.99Å; S730-A755 PolarHBondContact N-O 2.77Å; S730-A755 PolarHBondContact OG-O 2.98Å; A731-A755 HydrophobicContact CB-CB 4.29Å; A731-A755 PolarHBondContact N-O 3.23Å; A731-A755 PolarHBondContact O-N 2.94Å |
| 756 | T | 61.1 | Low | 61.9 | Low | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 154 | -174.3 | 76.2 | 0 | 0 | 0 | 0 | 111.3 | Y725 S758 G759 G760 | Y725-T756 HydrophobicContact CD1-CG2 3.89Å; Y725-T756 HydrophobicContact CG-CG2 3.8Å; T756-S758 PolarHBondContact O-N 2.9Å; T756-S758 PolarHBondContact OG1-N 2.84Å; T756-S758 PolarHBondContact OG1-OG 2.8Å; T756-G759 PolarHBondContact O-N 2.91Å; T756-G760 PolarHBondContact N-O 3.48Å; T756-G760 WeakPolarHBondContact OG1-CA 3.07Å; T756-G760 PolarHBondContact OG1-N 2.76Å; T756-G760 PolarHBondContact OG1-O 3.08Å |
| 757 | C | 52.3 | Low | 62.7 | Low | 40 Ų | 40 | 15.8 Ų | 15.8 | 27% | 0.27 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -7 | 173.1 | -73.3 | 0 | 0 | 0 | 0 | 114.3 | Y325 S727 M728 | Y325-C757 VanDerWaalsContact CE2-CA 3.48Å; Y325-C757 HydrophobicContact CE2-CB 3.82Å; Y325-C757 PolarHBondContact OH-SG 2.92Å; S727-C757 PolarHBondContact OG-N 2.83Å; M728-C757 HydrophobicContact CB-CB 4.25Å; M728-C757 WeakPolarHBondContact O-CB 3.32Å; M728-C757 PolarHBondContact O-N 2.82Å; M728-C757 PolarHBondContact O-SG 2.83Å |
| 758 | S | 48.9 | Very low | 63 | Low | 5 Ų | 5 | 12.2 Ų | 12.2 | 4% | 0.035 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 8 | 175.4 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | S727 T756 G760 | S727-S758 VanDerWaalsContact OG-CB 3.25Å; S727-S758 WeakPolarHBondContact OG-CB 3.41Å; S727-S758 PolarHBondContact OG-N 2.73Å; S727-S758 PolarHBondContact OG-OG 2.78Å; T756-S758 PolarHBondContact O-N 2.9Å; T756-S758 PolarHBondContact OG1-N 2.84Å; T756-S758 PolarHBondContact OG1-OG 2.8Å; S758-G760 PolarHBondContact O-N 2.81Å |
| 759 | G | 47 | Very low | 63.2 | Low | 10 Ų | 10 | 13.3 Ų | 13.3 | 10% | 0.103 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 80.8 | -8.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T756 L761 W801 | T756-G759 PolarHBondContact O-N 2.91Å; G759-L761 PolarHBondContact O-N 2.83Å; G759-W801 VanDerWaalsContact C-CE2 3.5Å; G759-W801 VanDerWaalsContact CA-CZ2 3.43Å; G759-W801 WeakPolarHBondContact O-CZ2 3.47Å; G759-W801 PolarHBondContact O-NE1 2.98Å |
| 760 | G | 54.4 | Low | 62.8 | Low | 12 Ų | 12 | 15.1 Ų | 15.1 | 12% | 0.124 | 8% | 0.084 | C | C | . | . | trans | -62.2 | 133.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T756 S758 | T756-G760 PolarHBondContact N-O 3.48Å; T756-G760 WeakPolarHBondContact OG1-CA 3.07Å; T756-G760 PolarHBondContact OG1-N 2.76Å; T756-G760 PolarHBondContact OG1-O 3.08Å; S758-G760 PolarHBondContact O-N 2.81Å | ||
| 761 | L | 52.6 | Low | 62.3 | Low | 12 Ų | 12 | 18 Ų | 18 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.7 | -179.9 | -178.8 | 63.7 | 0 | 0 | 0 | 110.1 | L329 F340 M349 G759 I798 L799 | L329-L761 HydrophobicContact CD1-CD1 3.54Å; F340-L761 HydrophobicContact CE1-CD2 4.37Å; F340-L761 HydrophobicContact CZ-CD2 4.46Å; M349-L761 HydrophobicContact CE-CD2 3.74Å; G759-L761 PolarHBondContact O-N 2.83Å; L761-I798 PolarHBondContact O-N 2.83Å; L761-L799 PolarHBondContact O-N 3.01Å |
| 762 | A | 62.5 | Low | 61.4 | Low | 12 Ų | 12 | 20.3 Ų | 20.3 | 10% | 0.099 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y725 S753 V754 R796 | Y725-A762 HydrophobicContact CE1-CB 3.8Å; S753-A762 WeakPolarHBondContact CA-O 3.06Å; V754-A762 PolarHBondContact N-O 3.14Å; V754-A762 PolarHBondContact O-N 2.96Å; A762-R796 WeakPolarHBondContact CA-O 3.36Å |
| 763 | C | 65.7 | Low | 60.3 | Low | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.3 | 171.4 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | I338 R796 I798 | I338-C763 HydrophobicContact CD1-CB 4.32Å; C763-R796 PolarHBondContact N-O 3.25Å; C763-R796 PolarHBondContact O-N 3.15Å; C763-I798 HydrophobicContact CB-CD1 3.71Å; C763-I798 HydrophobicContact CB-CG1 4.42Å |
| 764 | L | 62.5 | Low | 59.1 | Low | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.8 | 170.2 | -62.2 | 157.3 | 0 | 0 | 0 | 108.2 | L707 Y751 I752 V754 S794 P795 | L707-L764 HydrophobicContact CD1-CD1 4.48Å; Y751-L764 CarbonylContact C-O 3.55Å; Y751-L764 WeakPolarHBondContact CA-O 3.47Å; I752-L764 HydrophobicContact CB-CB 4.2Å; I752-L764 HydrophobicContact CB-CD1 4.15Å; I752-L764 HydrophobicContact CG2-CD1 4.47Å; I752-L764 PolarHBondContact N-O 3.19Å; I752-L764 WeakPolarHBondContact O-CB 3.36Å; I752-L764 PolarHBondContact O-N 2.9Å; V754-L764 HydrophobicContact CG2-CD1 4.39Å; L764-S794 WeakPolarHBondContact CA-O 3.29Å; L764-P795 HydrophobicContact CD2-CB 3.81Å |
| 765 | D | 71.1 | Confident | 58 | Low | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.7 | 169.2 | -175.7 | 4.2 | 0 | 0 | 0 | 108.6 | Y751 C793 S794 | Y751-D765 HydrophobicContact CD1-CB 3.86Å; Y751-D765 HydrophobicContact CE1-CB 3.48Å; Y751-D765 VanDerWaalsContact CE1-CB 3.48Å; Y751-D765 WeakPolarHBondContact CE1-OD2 3.22Å; Y751-D765 WeakPolarHBondContact CE2-OD1 3.43Å; Y751-D765 PolarHBondContact OH-OD1 2.82Å; Y751-D765 PolarHBondContact OH-OD2 3.17Å; D765-C793 CarbonylContact O-C 3.59Å; D765-C793 WeakPolarHBondContact O-CA 3.44Å; D765-S794 PolarHBondContact N-O 2.92Å; D765-S794 PolarHBondContact O-N 2.8Å |
| 766 | L | 66 | Low | 57.1 | Low | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.3 | -177.2 | -52.3 | 177.9 | 0 | 0 | 0 | 110.2 | L721 Q749 V750 I752 F768 L790 N792 C793 | L721-L766 HydrophobicContact CD2-CD1 4.5Å; L721-L766 HydrophobicContact CD2-CD2 4.07Å; Q749-L766 CarbonylContact C-O 3.42Å; Q749-L766 VanDerWaalsContact CA-O 3.28Å; Q749-L766 WeakPolarHBondContact CA-O 3.38Å; V750-L766 HydrophobicContact CB-CB 4.4Å; V750-L766 PolarHBondContact N-O 3.48Å; V750-L766 WeakPolarHBondContact O-CA 3.37Å; V750-L766 VanDerWaalsContact O-CB 3.24Å; V750-L766 WeakPolarHBondContact O-CB 3.34Å; V750-L766 PolarHBondContact O-N 2.82Å; I752-L766 HydrophobicContact CD1-CD1 3.5Å; I752-L766 HydrophobicContact CD1-CG 4.49Å; I752-L766 HydrophobicContact CG1-CD1 4.02Å; L766-F768 HydrophobicContact CB-CD2 4.33Å; L766-F768 HydrophobicContact CB-CE2 3.42Å; L766-F768 VanDerWaalsContact CB-CE2 3.42Å; L766-F768 HydrophobicContact CB-CZ 3.83Å; L766-F768 HydrophobicContact CD1-CE2 4.19Å; L766-F768 HydrophobicContact CD1-CZ 4.06Å; L766-F768 HydrophobicContact CG-CE2 4.45Å; L766-L790 HydrophobicContact CB-CD1 4.05Å; L766-L790 HydrophobicContact CD2-CD1 4.18Å; L766-N792 CarbonylContact C-O 3.58Å; L766-N792 WeakPolarHBondContact CA-O 3.15Å; L766-C793 HydrophobicContact CD2-CB 3.53Å; L766-C793 WeakPolarHBondContact CD2-SG 3.14Å |
| 767 | N | 70.3 | Confident | 56.3 | Low | 35 Ų | 35 | 51.7 Ų | 51.7 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.8 | 174.8 | -59.7 | -45.7 | 0 | 0 | 0 | 109.7 | Q749 L790 L791 N792 | Q749-N767 WeakPolarHBondContact CG-OD1 3.08Å; Q749-N767 PolarHBondContact NE2-OD1 3.38Å; N767-L790 CarbonylContact O-C 3.57Å; N767-L791 HydrophobicContact CB-CB 4.04Å; N767-L791 HydrophobicContact CB-CD1 4.46Å; N767-L791 WeakPolarHBondContact O-CB 3.33Å; N767-L791 PolarHBondContact O-N 3.39Å; N767-N792 HydrophobicContact CB-CB 4.23Å; N767-N792 PolarHBondContact N-O 3.47Å; N767-N792 PolarHBondContact O-N 3.24Å |
| 768 | F | 66.3 | Low | 56.3 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.4 | -178.9 | -62.9 | -86 | 0 | 0 | 0 | 112 | W697 H748 V750 L766 K789 L790 | W697-F768 HydrophobicContact CE3-CZ 4.49Å; W697-F768 AromaticContact CH2-CD1 3.63Å; W697-F768 HydrophobicContact CH2-CD1 3.63Å; W697-F768 HydrophobicContact CH2-CD2 4.13Å; W697-F768 AromaticContact CH2-CE1 3.11Å; W697-F768 HydrophobicContact CH2-CE1 3.11Å; W697-F768 AromaticContact CH2-CE2 3.65Å; W697-F768 HydrophobicContact CH2-CE2 3.65Å; W697-F768 HydrophobicContact CH2-CG 4.12Å; W697-F768 AromaticContact CH2-CZ 3.13Å; W697-F768 HydrophobicContact CH2-CZ 3.13Å; W697-F768 AromaticContact CZ2-CD1 3.99Å; W697-F768 HydrophobicContact CZ2-CD1 3.99Å; W697-F768 AromaticContact CZ2-CE1 3.49Å; W697-F768 HydrophobicContact CZ2-CE1 3.49Å; W697-F768 VanDerWaalsContact CZ2-CE1 3.49Å; W697-F768 AromaticContact CZ2-CZ 3.94Å; W697-F768 HydrophobicContact CZ2-CZ 3.94Å; W697-F768 AromaticContact CZ3-CE1 3.93Å; W697-F768 HydrophobicContact CZ3-CE1 3.93Å; W697-F768 AromaticContact CZ3-CE2 3.87Å; W697-F768 HydrophobicContact CZ3-CE2 3.87Å; W697-F768 AromaticContact CZ3-CZ 3.46Å; W697-F768 HydrophobicContact CZ3-CZ 3.46Å; W697-F768 VanDerWaalsContact CZ3-CZ 3.46Å; H748-F768 PolarHBondContact N-O 3.46Å; H748-F768 VanDerWaalsContact N-O 3.09Å; H748-F768 PolarHBondContact O-N 3.06Å; V750-F768 HydrophobicContact CB-CE2 4.12Å; V750-F768 HydrophobicContact CG2-CD2 3.96Å; V750-F768 HydrophobicContact CG2-CE2 3.84Å; L766-F768 HydrophobicContact CB-CD2 4.33Å; L766-F768 HydrophobicContact CB-CE2 3.42Å; L766-F768 VanDerWaalsContact CB-CE2 3.42Å; L766-F768 HydrophobicContact CB-CZ 3.83Å; L766-F768 HydrophobicContact CD1-CE2 4.19Å; L766-F768 HydrophobicContact CD1-CZ 4.06Å; L766-F768 HydrophobicContact CG-CE2 4.45Å; F768-K789 VanDerWaalsContact CA-O 3.28Å; F768-K789 WeakPolarHBondContact CA-O 3.43Å; F768-L790 VanDerWaalsContact CD1-CA 3.5Å; F768-L790 HydrophobicContact CD1-CB 4.07Å; F768-L790 HydrophobicContact CD1-CD1 4.09Å; F768-L790 HydrophobicContact CE1-CB 3.71Å; F768-L790 HydrophobicContact CE1-CD1 3.44Å; F768-L790 VanDerWaalsContact CE1-CD1 3.44Å; F768-L790 HydrophobicContact CE1-CG 4.16Å; F768-L790 HydrophobicContact CE2-CD1 4.19Å; F768-L790 HydrophobicContact CZ-CD1 3.5Å; F768-L790 VanDerWaalsContact CZ-CD1 3.5Å |
| 769 | E | 66.3 | Low | 56.1 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148 | 164.5 | -167.4 | 151.4 | -135.2 | 0 | 0 | 108.8 | N745 K789 L791 | N745-E769 PolarHBondContact ND2-OE1 3.07Å; E769-K789 PolarHBondContact N-O 2.88Å; E769-K789 PolarHBondContact O-N 2.91Å; E769-L791 HydrophobicContact CB-CD1 3.95Å; E769-L791 HydrophobicContact CB-CD2 3.96Å; E769-L791 HydrophobicContact CB-CG 3.82Å |
| 770 | F | 58.1 | Low | 56.1 | Low | 49 Ų | 49 | 73.1 Ų | 73.1 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 99.2 | -175.5 | 173.7 | -106.5 | 0 | 0 | 0 | 109.5 | F693 L772 N786 F788 | F693-F770 HydrophobicContact CD1-CD1 4.26Å; F693-F770 AromaticContact CD1-CD2 3.93Å; F693-F770 HydrophobicContact CD1-CD2 3.93Å; F693-F770 HydrophobicContact CD1-CE1 4.15Å; F693-F770 AromaticContact CD1-CE2 3.84Å; F693-F770 HydrophobicContact CD1-CE2 3.84Å; F693-F770 HydrophobicContact CD1-CG 4.13Å; F693-F770 AromaticContact CD1-CZ 3.95Å; F693-F770 HydrophobicContact CD1-CZ 3.95Å; F693-F770 HydrophobicContact CE1-CB 4.14Å; F693-F770 AromaticContact CE1-CD1 3.36Å; F693-F770 HydrophobicContact CE1-CD1 3.36Å; F693-F770 AromaticContact CE1-CD2 3.74Å; F693-F770 HydrophobicContact CE1-CD2 3.74Å; F693-F770 AromaticContact CE1-CE1 3.53Å; F693-F770 HydrophobicContact CE1-CE1 3.53Å; F693-F770 AromaticContact CE1-CE2 3.91Å; F693-F770 HydrophobicContact CE1-CE2 3.91Å; F693-F770 AromaticContact CE1-CG 3.45Å; F693-F770 HydrophobicContact CE1-CG 3.45Å; F693-F770 VanDerWaalsContact CE1-CG 3.45Å; F693-F770 AromaticContact CE1-CZ 3.81Å; F693-F770 HydrophobicContact CE1-CZ 3.81Å; F693-F770 HydrophobicContact CZ-CB 4.06Å; F693-F770 AromaticContact CZ-CD1 3.96Å; F693-F770 HydrophobicContact CZ-CD1 3.96Å; F693-F770 HydrophobicContact CZ-CD2 4.44Å; F693-F770 AromaticContact CZ-CG 3.89Å; F693-F770 HydrophobicContact CZ-CG 3.89Å; F770-L772 HydrophobicContact CD1-CG 4.31Å; F770-L772 HydrophobicContact CE1-CD1 3.87Å; F770-L772 HydrophobicContact CE1-CD2 3.85Å; F770-L772 HydrophobicContact CE1-CG 3.48Å; F770-L772 VanDerWaalsContact CE1-CG 3.48Å; F770-L772 HydrophobicContact CZ-CD1 4.5Å; F770-L772 HydrophobicContact CZ-CD2 3.65Å; F770-L772 HydrophobicContact CZ-CG 3.82Å; F770-N786 HydrophobicContact CE2-CB 4.26Å; F770-F788 AromaticContact CD2-CD1 3.97Å; F770-F788 HydrophobicContact CD2-CD1 3.97Å; F770-F788 AromaticContact CD2-CE1 3.41Å; F770-F788 HydrophobicContact CD2-CE1 3.41Å; F770-F788 VanDerWaalsContact CD2-CE1 3.41Å; F770-F788 HydrophobicContact CD2-CE2 4.4Å; F770-F788 AromaticContact CD2-CZ 3.67Å; F770-F788 HydrophobicContact CD2-CZ 3.67Å; F770-F788 AromaticContact CE2-CE1 3.8Å; F770-F788 HydrophobicContact CE2-CE1 3.8Å; F770-F788 HydrophobicContact CE2-CE2 4.16Å; F770-F788 AromaticContact CE2-CZ 3.52Å; F770-F788 HydrophobicContact CE2-CZ 3.52Å; F770-F788 HydrophobicContact CG-CE1 4.39Å |
| 771 | D | 59.3 | Low | 55.3 | Low | 62 Ų | 62 | 79.1 Ų | 79.1 | 33% | 0.332 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 111.5 | -178.6 | -75.7 | -47.8 | 0 | 0 | 0 | 111 | H773 | D771-H773 PolarHBondContact O-N 3.26Å |
| 772 | L | 50.6 | Low | 54.5 | Low | 102 Ų | 102 | 83.2 Ų | 83.2 | 53% | 0.534 | 43% | 0.429 | S | S | . | . | trans | -76.1 | 73.2 | 171.5 | -82 | 169.8 | 0 | 0 | 0 | 111.1 | F770 K774 | F770-L772 HydrophobicContact CD1-CG 4.31Å; F770-L772 HydrophobicContact CE1-CD1 3.87Å; F770-L772 HydrophobicContact CE1-CD2 3.85Å; F770-L772 HydrophobicContact CE1-CG 3.48Å; F770-L772 VanDerWaalsContact CE1-CG 3.48Å; F770-L772 HydrophobicContact CZ-CD1 4.5Å; F770-L772 HydrophobicContact CZ-CD2 3.65Å; F770-L772 HydrophobicContact CZ-CG 3.82Å; L772-K774 PolarHBondContact O-N 3.34Å | ||
| 773 | H | 50.9 | Low | 53.5 | Low | 110 Ų | 110 | 88.6 Ų | 88.6 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | trans | -68.3 | 80.5 | 172.1 | -99.2 | -76.9 | 0 | 0 | 0 | 111.8 | D771 N775 | D771-H773 PolarHBondContact O-N 3.26Å; H773-N775 PolarHBondContact ND1-OD1 3.09Å; H773-N775 PolarHBondContact O-N 2.73Å | ||
| 774 | K | 45.3 | Very low | 52.4 | Low | 168 Ų | 168 | 91.5 Ų | 91.5 | 73% | 0.73 | 47% | 0.474 | S | S | * | . | trans | -69 | 72 | 165 | -69.9 | -177.8 | 178.8 | 175.9 | 0 | 109.9 | L772 S776 | L772-K774 PolarHBondContact O-N 3.34Å; K774-S776 VanDerWaalsContact C-N 3.27Å; K774-S776 PolarHBondContact O-N 3.02Å | ||
| 775 | N | 46.8 | Very low | 51.6 | Low | 111 Ų | 111 | 96 Ų | 96 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | trans | -70.4 | 85.4 | 175.7 | -72.7 | -14.3 | 0 | 0 | 0 | 109.6 | H773 M777 | H773-N775 PolarHBondContact ND1-OD1 3.09Å; H773-N775 PolarHBondContact O-N 2.73Å; N775-M777 PolarHBondContact O-N 3.2Å | ||
| 776 | S | 41.8 | Very low | 50.5 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 76% | 0.762 | 50% | 0.499 | S | S | * | . | trans | -73.3 | 76.3 | 176.4 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | K774 | K774-S776 VanDerWaalsContact C-N 3.27Å; K774-S776 PolarHBondContact O-N 3.02Å | ||
| 777 | M | 42.8 | Very low | 49.9 | Very low | 165 Ų | 165 | 102.5 Ų | 102.5 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | trans | -96.3 | 135.4 | 164.8 | -83.2 | -65.5 | -174.2 | 0 | 0 | 110.4 | N775 N779 | N775-M777 PolarHBondContact O-N 3.2Å; M777-N779 PolarHBondContact O-N 3.04Å | ||
| 778 | E | 52.3 | Low | 49.1 | Very low | 189 Ų | 189 | 101.8 Ų | 101.8 | 88% | 0.883 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -77.7 | 82 | -168.6 | -60.7 | -179.9 | 128.5 | 0 | 0 | 111.9 | ||
| 779 | N | 45.7 | Very low | 48.8 | Very low | 150 Ų | 150 | 107.4 Ų | 107.4 | 80% | 0.802 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -163.9 | 56.8 | 158.8 | -96.4 | -41.3 | 0 | 0 | 0 | 114.3 | M777 E781 | M777-N779 PolarHBondContact O-N 3.04Å; N779-E781 VanDerWaalsContact C-N 3.26Å; N779-E781 PolarHBondContact O-N 3.14Å |
| 780 | N | 46.6 | Very low | 48.4 | Very low | 165 Ų | 165 | 108.7 Ų | 108.7 | 88% | 0.882 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 55.9 | -15 | 157.6 | -71.9 | -13.5 | 0 | 0 | 0 | 122.2 | ||
| 781 | E | 38.4 | Very low | 48.4 | Very low | 139 Ų | 139 | 108.9 Ų | 108.9 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | trans | -110.1 | 85.6 | 167.2 | -63.5 | -159.4 | 127.3 | 0 | 0 | 108.7 | N597 N779 D783 | N597-E781 PolarHBondContact ND2-OE1 2.92Å; N779-E781 VanDerWaalsContact C-N 3.26Å; N779-E781 PolarHBondContact O-N 3.14Å; E781-D783 VanDerWaalsContact C-N 3.29Å; E781-D783 PolarHBondContact O-N 3.35Å | ||
| 782 | T | 36.3 | Very low | 48.6 | Very low | 97 Ų | 97 | 111 Ų | 111 | 60% | 0.595 | 57% | 0.569 | S | S | * | * | trans | -75.9 | 83.5 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | V784 | T782-V784 VanDerWaalsContact C-N 3.33Å; T782-V784 PolarHBondContact O-N 2.89Å | ||
| 783 | D | 40.2 | Very low | 48.8 | Very low | 125 Ų | 125 | 108.2 Ų | 108.2 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | trans | -60.6 | 100.2 | 160.9 | -88.1 | -33 | 0 | 0 | 0 | 108.4 | E781 I785 | E781-D783 VanDerWaalsContact C-N 3.29Å; E781-D783 PolarHBondContact O-N 3.35Å; D783-I785 VanDerWaalsContact C-N 3.27Å; D783-I785 PolarHBondContact O-N 3.1Å | ||
| 784 | V | 42.5 | Very low | 48.9 | Very low | 69 Ų | 69 | 105.3 Ų | 105.3 | 42% | 0.418 | 55% | 0.55 | S | S | . | . | trans | -75.2 | 88.5 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 106.8 | T782 N786 | T782-V784 VanDerWaalsContact C-N 3.33Å; T782-V784 PolarHBondContact O-N 2.89Å; V784-N786 VanDerWaalsContact C-N 3.34Å; V784-N786 PolarHBondContact O-N 2.93Å | ||
| 785 | I | 46.7 | Very low | 49.5 | Very low | 98 Ų | 98 | 99 Ų | 99 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | trans | -68.4 | 95.8 | 174.5 | -47.6 | -179 | 0 | 0 | 0 | 107.5 | D783 E787 | D783-I785 VanDerWaalsContact C-N 3.27Å; D783-I785 PolarHBondContact O-N 3.1Å; I785-E787 VanDerWaalsContact C-N 3.3Å; I785-E787 HydrophobicContact CG2-CG 3.64Å; I785-E787 PolarHBondContact O-N 2.75Å | ||
| 786 | N | 47.5 | Very low | 49.7 | Very low | 31 Ų | 31 | 102 Ų | 102 | 17% | 0.166 | 53% | 0.529 | C | S | . | . | trans | -74.5 | 83.9 | 171.1 | -71.4 | -21.5 | 0 | 0 | 0 | 108.5 | L695 F770 V784 F788 | L695-N786 HydrophobicContact CD1-CB 4.44Å; F770-N786 HydrophobicContact CE2-CB 4.26Å; V784-N786 VanDerWaalsContact C-N 3.34Å; V784-N786 PolarHBondContact O-N 2.93Å; N786-F788 HydrophobicContact CB-CE2 3.89Å; N786-F788 VanDerWaalsContact O-CD2 3.29Å; N786-F788 WeakPolarHBondContact O-CD2 3.08Å; N786-F788 PolarHBondContact O-N 3.46Å | ||
| 787 | E | 52.6 | Low | 50.1 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.6 | 174.8 | -64 | -166.9 | 173.4 | 0 | 0 | 110.4 | I785 | I785-E787 VanDerWaalsContact C-N 3.3Å; I785-E787 HydrophobicContact CG2-CG 3.64Å; I785-E787 PolarHBondContact O-N 2.75Å |
| 788 | F | 54.8 | Low | 50.4 | Low | 21 Ų | 21 | 97.2 Ų | 97.2 | 9% | 0.092 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 108.7 | 176.1 | -75.8 | -86.2 | 0 | 0 | 0 | 109.9 | P689 F693 L695 W697 F770 N786 | P689-F788 HydrophobicContact CG-CD1 4.02Å; P689-F788 HydrophobicContact CG-CE1 3.95Å; F693-F788 HydrophobicContact CB-CE1 3.66Å; F693-F788 HydrophobicContact CB-CZ 3.65Å; F693-F788 AromaticContact CD1-CE1 3.7Å; F693-F788 HydrophobicContact CD1-CE1 3.7Å; F693-F788 AromaticContact CD1-CZ 3.86Å; F693-F788 HydrophobicContact CD1-CZ 3.86Å; F693-F788 HydrophobicContact CD2-CE1 4.04Å; F693-F788 HydrophobicContact CE1-CE1 4.41Å; F693-F788 AromaticContact CG-CE1 3.51Å; F693-F788 HydrophobicContact CG-CE1 3.51Å; F693-F788 AromaticContact CG-CZ 3.86Å; F693-F788 HydrophobicContact CG-CZ 3.86Å; L695-F788 HydrophobicContact CB-CD2 4.19Å; L695-F788 HydrophobicContact CB-CE2 3.79Å; L695-F788 HydrophobicContact CD1-CE2 4.33Å; L695-F788 HydrophobicContact CG-CE2 4.32Å; W697-F788 HydrophobicContact CZ2-CB 4.1Å; F770-F788 AromaticContact CD2-CD1 3.97Å; F770-F788 HydrophobicContact CD2-CD1 3.97Å; F770-F788 AromaticContact CD2-CE1 3.41Å; F770-F788 HydrophobicContact CD2-CE1 3.41Å; F770-F788 VanDerWaalsContact CD2-CE1 3.41Å; F770-F788 HydrophobicContact CD2-CE2 4.4Å; F770-F788 AromaticContact CD2-CZ 3.67Å; F770-F788 HydrophobicContact CD2-CZ 3.67Å; F770-F788 AromaticContact CE2-CE1 3.8Å; F770-F788 HydrophobicContact CE2-CE1 3.8Å; F770-F788 HydrophobicContact CE2-CE2 4.16Å; F770-F788 AromaticContact CE2-CZ 3.52Å; F770-F788 HydrophobicContact CE2-CZ 3.52Å; F770-F788 HydrophobicContact CG-CE1 4.39Å; N786-F788 HydrophobicContact CB-CE2 3.89Å; N786-F788 VanDerWaalsContact O-CD2 3.29Å; N786-F788 WeakPolarHBondContact O-CD2 3.08Å; N786-F788 PolarHBondContact O-N 3.46Å |
| 789 | K | 59 | Low | 49.7 | Very low | 128 Ų | 128 | 90.7 Ų | 90.7 | 56% | 0.557 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112.8 | -178.5 | -165.7 | 176.6 | -179.4 | -173.5 | 0 | 111 | F768 E769 L791 | F768-K789 VanDerWaalsContact CA-O 3.28Å; F768-K789 WeakPolarHBondContact CA-O 3.43Å; E769-K789 PolarHBondContact N-O 2.88Å; E769-K789 PolarHBondContact O-N 2.91Å; K789-L791 PolarHBondContact O-N 2.91Å; K789-L791 VanDerWaalsContact O-N 3.11Å |
| 790 | L | 59.3 | Low | 49.6 | Very low | 63 Ų | 63 | 84.6 Ų | 84.6 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 110 | 163.1 | -179.2 | 68.1 | 0 | 0 | 0 | 108.1 | L766 N767 F768 N792 C793 | L766-L790 HydrophobicContact CB-CD1 4.05Å; L766-L790 HydrophobicContact CD2-CD1 4.18Å; N767-L790 CarbonylContact O-C 3.57Å; F768-L790 VanDerWaalsContact CD1-CA 3.5Å; F768-L790 HydrophobicContact CD1-CB 4.07Å; F768-L790 HydrophobicContact CD1-CD1 4.09Å; F768-L790 HydrophobicContact CE1-CB 3.71Å; F768-L790 HydrophobicContact CE1-CD1 3.44Å; F768-L790 VanDerWaalsContact CE1-CD1 3.44Å; F768-L790 HydrophobicContact CE1-CG 4.16Å; F768-L790 HydrophobicContact CE2-CD1 4.19Å; F768-L790 HydrophobicContact CZ-CD1 3.5Å; F768-L790 VanDerWaalsContact CZ-CD1 3.5Å; L790-N792 WeakPolarHBondContact CD1-O 3.43Å; L790-C793 HydrophobicContact CD2-CB 4.48Å |
| 791 | L | 57.7 | Low | 49.5 | Very low | 54 Ų | 54 | 79.3 Ų | 79.3 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -46.2 | 174.4 | -77 | 170.9 | 0 | 0 | 0 | 111.1 | Q747 N767 E769 K789 | Q747-L791 HydrophobicContact CG-CD1 4.14Å; N767-L791 HydrophobicContact CB-CB 4.04Å; N767-L791 HydrophobicContact CB-CD1 4.46Å; N767-L791 WeakPolarHBondContact O-CB 3.33Å; N767-L791 PolarHBondContact O-N 3.39Å; E769-L791 HydrophobicContact CB-CD1 3.95Å; E769-L791 HydrophobicContact CB-CD2 3.96Å; E769-L791 HydrophobicContact CB-CG 3.82Å; K789-L791 PolarHBondContact O-N 2.91Å; K789-L791 VanDerWaalsContact O-N 3.11Å |
| 792 | N | 62.1 | Low | 49.4 | Very low | 105 Ų | 105 | 80.4 Ų | 80.4 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 148.9 | -171 | -99.1 | -53.9 | 0 | 0 | 0 | 111 | L766 N767 L790 | L766-N792 CarbonylContact C-O 3.58Å; L766-N792 WeakPolarHBondContact CA-O 3.15Å; N767-N792 HydrophobicContact CB-CB 4.23Å; N767-N792 PolarHBondContact N-O 3.47Å; N767-N792 PolarHBondContact O-N 3.24Å; L790-N792 WeakPolarHBondContact CD1-O 3.43Å |
| 793 | C | 56.3 | Low | 49.5 | Very low | 44 Ų | 44 | 77.3 Ų | 77.3 | 30% | 0.297 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.9 | 170.6 | 166.8 | 0 | 0 | 0 | 0 | 108.9 | D765 L766 L790 | D765-C793 CarbonylContact O-C 3.59Å; D765-C793 WeakPolarHBondContact O-CA 3.44Å; L766-C793 HydrophobicContact CD2-CB 3.53Å; L766-C793 WeakPolarHBondContact CD2-SG 3.14Å; L790-C793 HydrophobicContact CD2-CB 4.48Å |
| 794 | S | 52.8 | Low | 49.7 | Very low | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.2 | 174.3 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | L764 D765 | L764-S794 WeakPolarHBondContact CA-O 3.29Å; D765-S794 PolarHBondContact N-O 2.92Å; D765-S794 PolarHBondContact O-N 2.8Å |
| 795 | P | 56.9 | Low | 49.6 | Very low | 37 Ų | 37 | 73.5 Ų | 73.5 | 24% | 0.24 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 111.9 | 173.3 | 30.1 | -31.3 | 0 | 0 | 0 | 111.1 | L764 P871 | L764-P795 HydrophobicContact CD2-CB 3.81Å; P795-P871 VanDerWaalsContact O-CG 3.3Å; P795-P871 WeakPolarHBondContact O-CG 3.49Å |
| 796 | R | 51.7 | Low | 49.7 | Very low | 172 Ų | 172 | 69.4 Ų | 69.4 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.7 | 168.6 | -70.3 | -172 | 175.4 | -161.5 | -1.9 | 110.8 | A762 C763 I798 | A762-R796 WeakPolarHBondContact CA-O 3.36Å; C763-R796 PolarHBondContact N-O 3.25Å; C763-R796 PolarHBondContact O-N 3.15Å; R796-I798 PolarHBondContact O-N 2.92Å |
| 797 | R | 49.1 | Very low | 50.1 | Low | 128 Ų | 128 | 69.1 Ų | 69.1 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 95.1 | 170.1 | -167.9 | 175.7 | -165.5 | -162.1 | 1.7 | 108.6 | ||
| 798 | I | 49.8 | Very low | 50.5 | Low | 47 Ų | 47 | 64.6 Ų | 64.6 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -41.5 | -173.7 | -58.6 | 176.6 | 0 | 0 | 0 | 110.6 | I338 M349 V351 L761 C763 R796 | I338-I798 HydrophobicContact CD1-CD1 3.73Å; M349-I798 HydrophobicContact CE-CG2 3.9Å; M349-I798 HydrophobicContact SD-CG2 4.5Å; V351-I798 HydrophobicContact CG1-CD1 4.18Å; L761-I798 PolarHBondContact O-N 2.83Å; C763-I798 HydrophobicContact CB-CD1 3.71Å; C763-I798 HydrophobicContact CB-CG1 4.42Å; R796-I798 PolarHBondContact O-N 2.92Å |
| 799 | L | 38.3 | Very low | 50.9 | Low | 51 Ų | 51 | 64 Ų | 64 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 142.5 | 173.3 | -70.1 | 168.8 | 0 | 0 | 0 | 110.3 | C322 L761 | C322-L799 HydrophobicContact CB-CB 4.49Å; C322-L799 HydrophobicContact CB-CD1 4.48Å; L761-L799 PolarHBondContact O-N 3.01Å |
| 800 | S | 44.1 | Very low | 51.4 | Low | 23 Ų | 23 | 58.6 Ų | 58.6 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | trans | -121.2 | 156.3 | -178.9 | 69.6 | 0 | 0 | 0 | 0 | 111.4 | A320 S321 C322 | A320-S800 WeakPolarHBondContact CB-OG 3.47Å; S321-S800 CarbonylContact C-O 2.96Å; S321-S800 WeakPolarHBondContact CA-O 3.29Å; C322-S800 PolarHBondContact N-O 3.27Å | ||
| 801 | W | 42.9 | Very low | 52.3 | Low | 54 Ų | 54 | 57.4 Ų | 57.4 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | trans | -145.1 | 161.4 | -172.8 | -69.9 | 67.2 | 0 | 0 | 0 | 108.4 | C322 P323 S324 G759 A803 | C322-W801 HydrophobicContact CB-CD2 4.34Å; C322-W801 HydrophobicContact CB-CZ2 4.28Å; C322-W801 VanDerWaalsContact CB-NE1 3.32Å; P323-W801 WeakPolarHBondContact O-CH2 3.35Å; S324-W801 VanDerWaalsContact O-CH2 3.22Å; S324-W801 WeakPolarHBondContact O-CH2 3.2Å; S324-W801 WeakPolarHBondContact O-CZ2 3.15Å; G759-W801 VanDerWaalsContact C-CE2 3.5Å; G759-W801 VanDerWaalsContact CA-CZ2 3.43Å; G759-W801 WeakPolarHBondContact O-CZ2 3.47Å; G759-W801 PolarHBondContact O-NE1 2.98Å; W801-A803 PolarHBondContact O-N 2.99Å | ||
| 802 | Q | 36.3 | Very low | 53.3 | Low | 162 Ų | 162 | 56 Ų | 56 | 76% | 0.757 | 28% | 0.28 | S | S | * | . | trans | -54.6 | 130.4 | -179.8 | -66.6 | 173.2 | -12.6 | 0 | 0 | 110.7 | Y804 | Q802-Y804 WeakPolarHBondContact O-CD2 3.47Š| ||
| 803 | A | 38 | Very low | 53.8 | Low | 31 Ų | 31 | 52 Ų | 52 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | trans | -71.6 | 147.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W801 A1258 | W801-A803 PolarHBondContact O-N 2.99Å; A803-A1258 WeakPolarHBondContact O-CA 3.27Å; A803-A1258 WeakPolarHBondContact O-CB 3.07Å | ||
| 804 | Y | 45.6 | Very low | 54.2 | Low | 101 Ų | 101 | 51.4 Ų | 51.4 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -92.7 | -1.6 | -173.8 | -79.1 | -120.1 | 0 | 0 | 0 | 113.6 | Q802 I1256 K1257 | Q802-Y804 WeakPolarHBondContact O-CD2 3.47Å; Y804-I1256 HydrophobicContact CD1-CG2 4.46Å; Y804-I1256 HydrophobicContact CE1-CG2 4.39Å; Y804-K1257 CarbonylContact C-O 3.41Å; Y804-K1257 WeakPolarHBondContact CA-O 3.4Å |
| 805 | G | 40.3 | Very low | 54.5 | Low | 14 Ų | 14 | 50.3 Ų | 50.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -157.3 | 156.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1259 | G805-S1259 PolarHBondContact O-OG 3.24Š|
| 806 | P | 49.4 | Very low | 54.4 | Low | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.071 | 24% | 0.237 | C | C | . | . | trans | -94.7 | 165.7 | -170.8 | 36.1 | -37.6 | 0 | 0 | 0 | 116.6 | S828 I829 Y1231 S1259 | P806-S828 WeakPolarHBondContact O-CA 3.47Å; P806-S828 VanDerWaalsContact O-CB 3.31Å; P806-S828 WeakPolarHBondContact O-CB 3.4Å; P806-I829 HydrophobicContact CG-CG2 3.82Å; P806-I829 PolarHBondContact O-N 2.96Å; P806-Y1231 HydrophobicContact CB-CD2 3.94Å; P806-Y1231 HydrophobicContact CB-CE2 3.57Å; P806-Y1231 HydrophobicContact CG-CD1 4.11Å; P806-Y1231 HydrophobicContact CG-CD2 3.93Å; P806-Y1231 HydrophobicContact CG-CE1 3.59Å; P806-Y1231 HydrophobicContact CG-CE2 3.39Å; P806-Y1231 HydrophobicContact CG-CG 4.28Å; P806-Y1231 WeakPolarHBondContact CG-OH 3.15Å; P806-S1259 WeakPolarHBondContact CA-OG 3.35Å | ||
| 807 | I | 55.5 | Low | 54.4 | Low | 26 Ų | 26 | 49.6 Ų | 49.6 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 144.2 | -176.1 | -67.8 | 164.9 | 0 | 0 | 0 | 112.2 | T810 L827 I1227 I1261 | I807-T810 HydrophobicContact CG2-CG2 4.05Å; I807-L827 WeakPolarHBondContact CG2-O 3.46Å; I807-I1227 HydrophobicContact CB-CG2 4.2Å; I807-I1227 HydrophobicContact CD1-CG2 3.51Å; I807-I1227 HydrophobicContact CG1-CG2 4.43Å; I807-I1227 HydrophobicContact CG2-CG2 4.2Å; I807-I1261 HydrophobicContact CD1-CD1 4.24Å; I807-I1261 HydrophobicContact CD1-CG1 4.22Å |
| 808 | I | 59.7 | Low | 54.4 | Low | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.179 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -48.4 | 177.6 | -68.1 | -173.9 | 0 | 0 | 0 | 112.2 | L827 I829 P882 A883 | I808-L827 PolarHBondContact N-O 2.93Å; I808-I829 HydrophobicContact CD1-CB 3.65Å; I808-I829 HydrophobicContact CD1-CD1 4.23Å; I808-I829 HydrophobicContact CD1-CG1 3.82Å; I808-I829 HydrophobicContact CG1-CB 3.96Å; I808-P882 WeakPolarHBondContact CG2-O 3.33Å; I808-A883 HydrophobicContact CG2-CB 3.85Å |
| 809 | A | 63.4 | Low | 54.5 | Low | 8 Ų | 8 | 53.9 Ų | 53.9 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T826 L827 A883 | A809-T826 CarbonylContact O-C 3.54Å; A809-L827 HydrophobicContact CB-CB 4.4Å; A809-L827 HydrophobicContact CB-CD2 4.13Å; A809-L827 PolarHBondContact N-O 3.27Å; A809-L827 WeakPolarHBondContact O-CA 3.38Å; A809-L827 VanDerWaalsContact O-CB 3.3Å; A809-L827 WeakPolarHBondContact O-CB 3.42Å; A809-L827 PolarHBondContact O-N 3.23Å; A809-A883 VanDerWaalsContact CB-O 3.22Å; A809-A883 WeakPolarHBondContact CB-O 3.41Å |
| 810 | T | 70.5 | Confident | 55.4 | Low | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 151.9 | -168.3 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | I807 A825 T826 N1214 Y1216 I1227 | I807-T810 HydrophobicContact CG2-CG2 4.05Å; T810-A825 CarbonylContact C-O 3.4Å; T810-A825 WeakPolarHBondContact CA-O 3.43Å; T810-T826 HydrophobicContact CG2-CG2 3.92Å; T810-N1214 PolarHBondContact OG1-ND2 3.25Å; T810-Y1216 VanDerWaalsContact CB-OH 3.31Å; T810-Y1216 WeakPolarHBondContact CB-OH 3.49Å; T810-Y1216 HydrophobicContact CG2-CE2 4.26Å; T810-Y1216 PolarHBondContact O-OH 3.07Å; T810-Y1216 WeakPolarHBondContact OG1-CE2 3.24Å; T810-Y1216 PolarHBondContact OG1-OH 3.47Å; T810-I1227 HydrophobicContact CG2-CD1 3.76Å |
| 811 | D | 78 | Confident | 56.2 | Low | 38 Ų | 38 | 53.7 Ų | 53.7 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.4 | 168.1 | -169.1 | 25.6 | 0 | 0 | 0 | 111.3 | A825 I885 I887 | D811-A825 PolarHBondContact N-O 3.37Å; D811-A825 PolarHBondContact O-N 2.83Å; D811-A825 VanDerWaalsContact O-O 3.1Å; D811-I885 HydrophobicContact CB-CG2 4.14Å; D811-I887 HydrophobicContact CB-CD1 4.39Å; D811-I887 HydrophobicContact CB-CG1 4.43Å; D811-I887 PolarHBondContact OD2-N 2.72Å |
| 812 | L | 79.5 | Confident | 57.5 | Low | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 131.9 | 179.4 | -176 | 143.5 | 0 | 0 | 0 | 113.4 | H814 C822 I823 L824 Y1216 | L812-H814 WeakPolarHBondContact CD2-NE2 3.5Å; L812-C822 HydrophobicContact CD2-CB 4.25Å; L812-C822 HydrophobicContact CG-CB 4.49Å; L812-I823 VanDerWaalsContact CA-O 3.29Å; L812-I823 WeakPolarHBondContact CA-O 3.47Å; L812-I823 WeakPolarHBondContact CG-O 2.99Å; L812-L824 HydrophobicContact CB-CD1 4.4Å; L812-L824 HydrophobicContact CD1-CB 4.05Å; L812-L824 HydrophobicContact CD1-CD1 3.97Å; L812-Y1216 HydrophobicContact CB-CD1 3.42Å; L812-Y1216 VanDerWaalsContact CB-CD1 3.42Å; L812-Y1216 HydrophobicContact CB-CE1 3.85Å; L812-Y1216 HydrophobicContact CB-CG 4.26Å; L812-Y1216 HydrophobicContact CD1-CD1 4.37Å; L812-Y1216 HydrophobicContact CD1-CG 4.49Å; L812-Y1216 HydrophobicContact CG-CD1 4.41Å |
| 813 | V | 71.5 | Confident | 59.1 | Low | 21 Ų | 21 | 43.6 Ų | 43.6 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.4 | 175.5 | 165.5 | 0 | 0 | 0 | 0 | 111 | I823 I887 W905 | V813-I823 PolarHBondContact N-O 2.68Å; V813-I823 PolarHBondContact O-N 2.78Å; V813-I887 HydrophobicContact CB-CB 4.34Å; V813-I887 HydrophobicContact CB-CD1 4.43Å; V813-I887 HydrophobicContact CB-CG2 4.05Å; V813-I887 HydrophobicContact CG2-CB 3.66Å; V813-I887 HydrophobicContact CG2-CD1 4.36Å; V813-I887 HydrophobicContact CG2-CG2 3.78Å; V813-W905 HydrophobicContact CG1-CH2 4.25Å; V813-W905 HydrophobicContact CG1-CZ3 4.46Å |
| 814 | H | 64.9 | Low | 60.9 | Low | 32 Ų | 32 | 42.2 Ų | 42.2 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140 | 178.2 | -78.4 | -82.4 | 0 | 0 | 0 | 111.9 | L812 C822 L1219 | L812-H814 WeakPolarHBondContact CD2-NE2 3.5Å; H814-C822 WeakPolarHBondContact ND1-CB 3.3Å; H814-L1219 HydrophobicContact CB-CD1 3.89Å; H814-L1219 VanDerWaalsContact CD2-CG 3.5Å; H814-L1219 WeakPolarHBondContact CD2-CG 3.27Å; H814-L1219 PolarHBondContact CE1-N 3.38Å; H814-L1219 PolarHBondContact NE2-N 3.03Å |
| 815 | I | 59.7 | Low | 62.2 | Low | 26 Ų | 26 | 37.4 Ų | 37.4 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | trans | -91.5 | -51.4 | 178.9 | -48.1 | -176.9 | 0 | 0 | 0 | 110.4 | Q821 I823 W893 W905 | I815-Q821 HydrophobicContact CB-CB 4.3Å; I815-Q821 HydrophobicContact CD1-CB 4.28Å; I815-Q821 HydrophobicContact CG1-CB 4.48Å; I815-Q821 PolarHBondContact N-O 2.92Å; I815-I823 HydrophobicContact CD1-CD1 3.74Å; I815-I823 HydrophobicContact CD1-CG1 3.76Å; I815-I823 HydrophobicContact CG1-CD1 3.59Å; I815-I823 HydrophobicContact CG1-CG1 3.83Å; I815-W893 HydrophobicContact CB-CH2 4.3Å; I815-W893 HydrophobicContact CG2-CH2 3.71Å; I815-W893 HydrophobicContact CG2-CZ3 3.53Å; I815-W893 WeakPolarHBondContact O-CH2 3.38Å; I815-W893 WeakPolarHBondContact O-CZ3 3.34Å; I815-W905 HydrophobicContact CG1-CZ2 4.24Å; I815-W905 HydrophobicContact CG2-CZ2 4.44Å | ||
| 816 | D | 54.4 | Low | 63.5 | Low | 26 Ų | 26 | 36.9 Ų | 36.9 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | trans | -98.1 | 131.1 | -160.3 | 173.5 | 26.1 | 0 | 0 | 0 | 112.6 | L818 Q819 S820 Q821 | D816-L818 VanDerWaalsContact CG-N 3.32Å; D816-L818 PolarHBondContact O-N 3.11Å; D816-L818 WeakPolarHBondContact OD1-CA 3.48Å; D816-L818 WeakPolarHBondContact OD1-CB 2.82Å; D816-L818 PolarHBondContact OD1-N 3.33Å; D816-L818 WeakPolarHBondContact OD2-CB 3.3Å; D816-Q819 WeakPolarHBondContact O-CA 3.39Å; D816-Q819 PolarHBondContact O-N 3.32Å; D816-Q819 PolarHBondContact OD2-N 3.28Å; D816-Q819 VanDerWaalsContact OD2-N 3.1Å; D816-S820 WeakPolarHBondContact OD2-CB 3.22Å; D816-S820 PolarHBondContact OD2-N 3.38Å; D816-S820 PolarHBondContact OD2-OG 2.77Å; D816-Q821 HydrophobicContact CB-CB 4.26Å | ||
| 817 | K | 51.3 | Low | 64.2 | Low | 168 Ų | 168 | 36.4 Ų | 36.4 | 73% | 0.73 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.6 | 171.6 | -76.4 | -173.4 | 177.1 | -180 | 0 | 113 | ||
| 818 | L | 49.5 | Very low | 64.5 | Low | 157 Ų | 157 | 35.3 Ų | 35.3 | 82% | 0.822 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 9.3 | 168.6 | -59.3 | 173.1 | 0 | 0 | 0 | 112.5 | D816 S820 | D816-L818 VanDerWaalsContact CG-N 3.32Å; D816-L818 PolarHBondContact O-N 3.11Å; D816-L818 WeakPolarHBondContact OD1-CA 3.48Å; D816-L818 WeakPolarHBondContact OD1-CB 2.82Å; D816-L818 PolarHBondContact OD1-N 3.33Å; D816-L818 WeakPolarHBondContact OD2-CB 3.3Å; L818-S820 PolarHBondContact O-N 2.76Å; L818-S820 VanDerWaalsContact O-N 3.15Å |
| 819 | Q | 51.4 | Low | 64.3 | Low | 108 Ų | 108 | 37 Ų | 37 | 51% | 0.505 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 65.2 | 16.1 | 162.1 | -51.1 | 178.2 | -14.9 | 0 | 0 | 115.8 | D816 | D816-Q819 WeakPolarHBondContact O-CA 3.39Å; D816-Q819 PolarHBondContact O-N 3.32Å; D816-Q819 PolarHBondContact OD2-N 3.28Å; D816-Q819 VanDerWaalsContact OD2-N 3.1Å |
| 820 | S | 57.2 | Low | 64 | Low | 32 Ų | 32 | 40.2 Ų | 40.2 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | trans | -88.2 | -3.3 | -174.9 | 69 | 0 | 0 | 0 | 0 | 115.5 | D816 L818 F840 | D816-S820 WeakPolarHBondContact OD2-CB 3.22Å; D816-S820 PolarHBondContact OD2-N 3.38Å; D816-S820 PolarHBondContact OD2-OG 2.77Å; L818-S820 PolarHBondContact O-N 2.76Å; L818-S820 VanDerWaalsContact O-N 3.15Å; S820-F840 WeakPolarHBondContact O-CD2 3.47Å | ||
| 821 | Q | 61.7 | Low | 63.4 | Low | 38 Ų | 38 | 39.5 Ų | 39.5 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 139.2 | -174 | -64.2 | 179.6 | 9.3 | 0 | 0 | 112.5 | I815 D816 H837 I838 | I815-Q821 HydrophobicContact CB-CB 4.3Å; I815-Q821 HydrophobicContact CD1-CB 4.28Å; I815-Q821 HydrophobicContact CG1-CB 4.48Å; I815-Q821 PolarHBondContact N-O 2.92Å; D816-Q821 HydrophobicContact CB-CB 4.26Å; Q821-H837 VanDerWaalsContact CD-NE2 3.26Å; Q821-H837 WeakPolarHBondContact CG-NE2 3.2Å; Q821-H837 PolarHBondContact OE1-NE2 2.91Å; Q821-H837 VanDerWaalsContact OE1-NE2 3.11Å; Q821-I838 WeakPolarHBondContact CA-O 3.44Å |
| 822 | C | 68.8 | Low | 62.9 | Low | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 164 | 170.3 | 66 | 0 | 0 | 0 | 0 | 113 | L812 H814 H837 I838 | L812-C822 HydrophobicContact CD2-CB 4.25Å; L812-C822 HydrophobicContact CG-CB 4.49Å; H814-C822 WeakPolarHBondContact ND1-CB 3.3Å; C822-H837 WeakPolarHBondContact O-CA 3.48Å; C822-I838 PolarHBondContact N-O 2.76Å; C822-I838 PolarHBondContact O-N 2.96Å |
| 823 | I | 71 | Confident | 62.3 | Low | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.1 | -179.2 | -63.3 | 159.9 | 0 | 0 | 0 | 107.4 | L812 V813 I815 I835 R836 L872 I887 W905 I906 | L812-I823 VanDerWaalsContact CA-O 3.29Å; L812-I823 WeakPolarHBondContact CA-O 3.47Å; L812-I823 WeakPolarHBondContact CG-O 2.99Å; V813-I823 PolarHBondContact N-O 2.68Å; V813-I823 PolarHBondContact O-N 2.78Å; I815-I823 HydrophobicContact CD1-CD1 3.74Å; I815-I823 HydrophobicContact CD1-CG1 3.76Å; I815-I823 HydrophobicContact CG1-CD1 3.59Å; I815-I823 HydrophobicContact CG1-CG1 3.83Å; I823-I835 HydrophobicContact CG2-CG2 3.39Å; I823-R836 WeakPolarHBondContact CA-O 2.88Å; I823-L872 HydrophobicContact CG1-CD1 4.04Å; I823-L872 HydrophobicContact CG2-CD1 4.12Å; I823-I887 HydrophobicContact CG2-CD1 4.38Å; I823-W905 HydrophobicContact CD1-CH2 3.59Å; I823-W905 HydrophobicContact CD1-CZ2 3.58Å; I823-I906 HydrophobicContact CD1-CD1 3.66Å; I823-I906 HydrophobicContact CD1-CG1 4.2Å; I823-I906 HydrophobicContact CG2-CD1 4.43Å |
| 824 | L | 75.5 | Confident | 62.1 | Low | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.8 | 174.7 | 174.2 | 67.7 | 0 | 0 | 0 | 109.5 | L812 T826 I835 R836 I838 Y1216 I1225 | L812-L824 HydrophobicContact CB-CD1 4.4Å; L812-L824 HydrophobicContact CD1-CB 4.05Å; L812-L824 HydrophobicContact CD1-CD1 3.97Å; L824-T826 HydrophobicContact CD1-CG2 3.99Å; L824-T826 HydrophobicContact CD2-CG2 3.85Å; L824-T826 HydrophobicContact CG-CG2 3.78Å; L824-I835 CarbonylContact O-C 3.57Å; L824-I835 VanDerWaalsContact O-CA 3.27Å; L824-I835 WeakPolarHBondContact O-CA 3.22Å; L824-R836 PolarHBondContact N-O 2.86Å; L824-R836 PolarHBondContact O-N 2.82Å; L824-I838 HydrophobicContact CB-CD1 3.95Å; L824-I838 HydrophobicContact CD2-CD1 4.17Å; L824-Y1216 HydrophobicContact CD1-CD2 4.29Å; L824-Y1216 HydrophobicContact CD1-CG 4.31Å; L824-I1225 HydrophobicContact CD2-CD1 4.08Å; L824-I1225 HydrophobicContact CD2-CG2 4.32Å |
| 825 | A | 72 | Confident | 62.4 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T810 D811 L833 R834 I835 I885 I887 | T810-A825 CarbonylContact C-O 3.4Å; T810-A825 WeakPolarHBondContact CA-O 3.43Å; D811-A825 PolarHBondContact N-O 3.37Å; D811-A825 PolarHBondContact O-N 2.83Å; D811-A825 VanDerWaalsContact O-O 3.1Å; A825-L833 HydrophobicContact CB-CD1 3.85Å; A825-R834 CarbonylContact C-O 3.59Å; A825-R834 WeakPolarHBondContact CA-O 3.25Å; A825-I835 HydrophobicContact CB-CG1 4.45Å; A825-I885 HydrophobicContact CB-CD1 4.31Å; A825-I887 HydrophobicContact CB-CD1 3.99Å |
| 826 | T | 69.2 | Low | 62.8 | Low | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.2 | 172.8 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | A809 T810 L824 L833 R834 I1227 | A809-T826 CarbonylContact O-C 3.54Å; T810-T826 HydrophobicContact CG2-CG2 3.92Å; L824-T826 HydrophobicContact CD1-CG2 3.99Å; L824-T826 HydrophobicContact CD2-CG2 3.85Å; L824-T826 HydrophobicContact CG-CG2 3.78Å; T826-L833 CarbonylContact O-C 3.53Å; T826-L833 VanDerWaalsContact O-CA 3.28Å; T826-L833 WeakPolarHBondContact O-CA 3.5Å; T826-R834 PolarHBondContact N-O 3.27Å; T826-R834 PolarHBondContact O-N 3.2Å; T826-R834 PolarHBondContact OG1-O 2.88Å; T826-I1227 HydrophobicContact CG2-CD1 3.95Å |
| 827 | L | 62.7 | Low | 63.4 | Low | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 124.9 | -165.1 | 174 | 53.7 | 0 | 0 | 0 | 114.2 | I807 I808 A809 E832 L833 P882 | I807-L827 WeakPolarHBondContact CG2-O 3.46Å; I808-L827 PolarHBondContact N-O 2.93Å; A809-L827 HydrophobicContact CB-CB 4.4Å; A809-L827 HydrophobicContact CB-CD2 4.13Å; A809-L827 PolarHBondContact N-O 3.27Å; A809-L827 WeakPolarHBondContact O-CA 3.38Å; A809-L827 VanDerWaalsContact O-CB 3.3Å; A809-L827 WeakPolarHBondContact O-CB 3.42Å; A809-L827 PolarHBondContact O-N 3.23Å; L827-E832 VanDerWaalsContact CA-O 3.29Å; L827-E832 WeakPolarHBondContact CA-O 3.45Å; L827-L833 HydrophobicContact CD1-CB 4Å; L827-P882 HydrophobicContact CD1-CB 4.32Å; L827-P882 HydrophobicContact CD1-CG 3.41Å; L827-P882 VanDerWaalsContact CD1-CG 3.41Å; L827-P882 HydrophobicContact CD2-CB 3.31Å; L827-P882 HydrophobicContact CD2-CG 3.42Å; L827-P882 VanDerWaalsContact CD2-CG 3.42Å; L827-P882 WeakPolarHBondContact CD2-O 3.42Å; L827-P882 HydrophobicContact CG-CB 4.18Å; L827-P882 HydrophobicContact CG-CG 3.78Å |
| 828 | S | 63.6 | Low | 63.9 | Low | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 162.5 | -174.8 | 76 | 0 | 0 | 0 | 0 | 115.9 | P806 D830 G831 E832 | P806-S828 WeakPolarHBondContact O-CA 3.47Å; P806-S828 VanDerWaalsContact O-CB 3.31Å; P806-S828 WeakPolarHBondContact O-CB 3.4Å; S828-D830 PolarHBondContact O-N 3Å; S828-D830 PolarHBondContact OG-N 2.78Å; S828-G831 WeakPolarHBondContact O-CA 3.38Å; S828-G831 PolarHBondContact O-N 2.84Å; S828-E832 PolarHBondContact N-O 2.66Å; S828-E832 VanDerWaalsContact OG-CB 3.29Å; S828-E832 WeakPolarHBondContact OG-CB 3.1Å; S828-E832 WeakPolarHBondContact OG-CG 3.43Å; S828-E832 PolarHBondContact OG-N 2.7Å |
| 829 | I | 55.4 | Low | 64.5 | Low | 71 Ų | 71 | 20.6 Ų | 20.6 | 36% | 0.364 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20 | 169.8 | -168.1 | 156.5 | 0 | 0 | 0 | 112.9 | P806 I808 G831 T881 Y1231 | P806-I829 HydrophobicContact CG-CG2 3.82Å; P806-I829 PolarHBondContact O-N 2.96Å; I808-I829 HydrophobicContact CD1-CB 3.65Å; I808-I829 HydrophobicContact CD1-CD1 4.23Å; I808-I829 HydrophobicContact CD1-CG1 3.82Å; I808-I829 HydrophobicContact CG1-CB 3.96Å; I829-G831 PolarHBondContact O-N 2.85Å; I829-T881 VanDerWaalsContact O-CG2 3.26Å; I829-T881 WeakPolarHBondContact O-CG2 3.49Å; I829-Y1231 WeakPolarHBondContact CD1-OH 3.35Å |
| 830 | D | 57 | Low | 64.7 | Low | 74 Ų | 74 | 16.8 Ų | 16.8 | 40% | 0.396 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.8 | 172 | -52.4 | -70.5 | 0 | 0 | 0 | 112.8 | K724 S828 E832 | K724-D830 PolarHBondContact NZ-O 3.48Å; S828-D830 PolarHBondContact O-N 3Å; S828-D830 PolarHBondContact OG-N 2.78Å; D830-E832 HydrophobicContact CB-CG 4.34Å |
| 831 | G | 58 | Low | 64.2 | Low | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | trans | 85.7 | 12.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S828 I829 L833 I876 I877 | S828-G831 WeakPolarHBondContact O-CA 3.38Å; S828-G831 PolarHBondContact O-N 2.84Å; I829-G831 PolarHBondContact O-N 2.85Å; G831-L833 PolarHBondContact O-N 3.04Å; G831-I876 WeakPolarHBondContact O-CA 3.15Å; G831-I877 WeakPolarHBondContact CA-O 3.23Å; G831-I877 WeakPolarHBondContact O-CB 3.08Å; G831-I877 PolarHBondContact O-N 3.2Å | ||
| 832 | E | 65.6 | Low | 63.2 | Low | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 93.5 | -170.6 | -49.4 | -173.3 | 123.1 | 0 | 0 | 113.3 | P726 L827 S828 D830 R834 I876 | P726-E832 WeakPolarHBondContact CA-OE1 3.31Å; L827-E832 VanDerWaalsContact CA-O 3.29Å; L827-E832 WeakPolarHBondContact CA-O 3.45Å; S828-E832 PolarHBondContact N-O 2.66Å; S828-E832 VanDerWaalsContact OG-CB 3.29Å; S828-E832 WeakPolarHBondContact OG-CB 3.1Å; S828-E832 WeakPolarHBondContact OG-CG 3.43Å; S828-E832 PolarHBondContact OG-N 2.7Å; D830-E832 HydrophobicContact CB-CG 4.34Å; E832-R834 PolarHBondContact O-N 3.01Å; E832-R834 IonicContact OE1-NH2 3.35Å; E832-R834 PolarHBondContact OE1-NH2 3.45Å; E832-R834 VanDerWaalsContact OE1-NH2 3.08Å; E832-R834 IonicContact OE2-CZ 3.82Å; E832-R834 IonicContact OE2-NH1 3.81Å; E832-R834 PolarHBondContact OE2-NH1 3.41Å; E832-R834 IonicContact OE2-NH2 2.66Å; E832-R834 PolarHBondContact OE2-NH2 3.11Å; E832-I876 HydrophobicContact CB-CD1 3.93Å; E832-I876 HydrophobicContact CB-CG1 4.06Å; E832-I876 HydrophobicContact CG-CD1 3.85Å; E832-I876 HydrophobicContact CG-CG1 3.77Å |
| 833 | L | 67.2 | Low | 61.6 | Low | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 99.2 | 168.1 | 171.8 | 54.4 | 0 | 0 | 0 | 110.5 | A825 T826 L827 G831 I835 D874 L875 I877 I885 | A825-L833 HydrophobicContact CB-CD1 3.85Å; T826-L833 CarbonylContact O-C 3.53Å; T826-L833 VanDerWaalsContact O-CA 3.28Å; T826-L833 WeakPolarHBondContact O-CA 3.5Å; L827-L833 HydrophobicContact CD1-CB 4Å; G831-L833 PolarHBondContact O-N 3.04Å; L833-I835 HydrophobicContact CD1-CG1 3.92Å; L833-I835 HydrophobicContact CD2-CD1 4.17Å; L833-I835 HydrophobicContact CD2-CG1 4.31Å; L833-I835 HydrophobicContact CG-CD1 4.3Å; L833-I835 HydrophobicContact CG-CG1 3.9Å; L833-D874 CarbonylContact O-C 3.57Å; L833-D874 WeakPolarHBondContact O-CA 3.37Å; L833-L875 CarbonylContact C-O 3.39Å; L833-L875 WeakPolarHBondContact CA-O 3.4Å; L833-L875 HydrophobicContact CB-CB 4.06Å; L833-L875 HydrophobicContact CD2-CB 4.28Å; L833-L875 HydrophobicContact CD2-CD1 4.25Å; L833-L875 HydrophobicContact CG-CB 4.26Å; L833-L875 PolarHBondContact N-O 2.76Å; L833-L875 PolarHBondContact O-N 3.42Å; L833-L875 VanDerWaalsContact O-O 3.06Å; L833-I877 HydrophobicContact CB-CD1 3.37Å; L833-I877 HydrophobicContact CB-CG1 4.07Å; L833-I877 HydrophobicContact CD2-CD1 3.58Å; L833-I877 HydrophobicContact CG-CD1 4.1Å; L833-I885 HydrophobicContact CD1-CD1 3.4Å; L833-I885 HydrophobicContact CD2-CD1 3.59Å; L833-I885 HydrophobicContact CG-CD1 4.13Å |
| 834 | R | 69 | Low | 60 | Low | 33 Ų | 33 | 34.6 Ų | 34.6 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 110.2 | 172.2 | -56.4 | -159.8 | 160.3 | 83.7 | 9.6 | 111 | A825 T826 E832 D874 | A825-R834 CarbonylContact C-O 3.59Å; A825-R834 WeakPolarHBondContact CA-O 3.25Å; T826-R834 PolarHBondContact N-O 3.27Å; T826-R834 PolarHBondContact O-N 3.2Å; T826-R834 PolarHBondContact OG1-O 2.88Å; E832-R834 PolarHBondContact O-N 3.01Å; E832-R834 IonicContact OE1-NH2 3.35Å; E832-R834 PolarHBondContact OE1-NH2 3.45Å; E832-R834 VanDerWaalsContact OE1-NH2 3.08Å; E832-R834 IonicContact OE2-CZ 3.82Å; E832-R834 IonicContact OE2-NH1 3.81Å; E832-R834 PolarHBondContact OE2-NH1 3.41Å; E832-R834 IonicContact OE2-NH2 2.66Å; E832-R834 PolarHBondContact OE2-NH2 3.11Å; R834-D874 WeakPolarHBondContact CA-OD1 3.29Å; R834-D874 VanDerWaalsContact CB-OD1 3.23Å; R834-D874 WeakPolarHBondContact CB-OD1 3.45Å; R834-D874 WeakPolarHBondContact CD-OD2 3.48Å; R834-D874 HydrophobicContact CG-CB 4.45Å; R834-D874 VanDerWaalsContact CG-CG 3.49Å; R834-D874 VanDerWaalsContact CG-OD1 3.28Å; R834-D874 WeakPolarHBondContact CG-OD1 3.45Å; R834-D874 IonicContact CZ-OD2 2.69Å; R834-D874 IonicContact NE-OD1 2.73Å; R834-D874 IonicContact NE-OD2 2.63Å; R834-D874 PolarHBondContact NE-OD2 3Å; R834-D874 IonicContact NH2-OD2 2.64Å |
| 835 | I | 69.7 | Low | 58.2 | Low | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.2 | 172.1 | -49.3 | 177.8 | 0 | 0 | 0 | 108.3 | I823 L824 A825 L833 L872 I873 I908 P923 | I823-I835 HydrophobicContact CG2-CG2 3.39Å; L824-I835 CarbonylContact O-C 3.57Å; L824-I835 VanDerWaalsContact O-CA 3.27Å; L824-I835 WeakPolarHBondContact O-CA 3.22Å; A825-I835 HydrophobicContact CB-CG1 4.45Å; L833-I835 HydrophobicContact CD1-CG1 3.92Å; L833-I835 HydrophobicContact CD2-CD1 4.17Å; L833-I835 HydrophobicContact CD2-CG1 4.31Å; L833-I835 HydrophobicContact CG-CD1 4.3Å; L833-I835 HydrophobicContact CG-CG1 3.9Å; I835-L872 HydrophobicContact CG2-CB 4.3Å; I835-L872 HydrophobicContact CG2-CD1 4.02Å; I835-L872 WeakPolarHBondContact O-CB 3.46Å; I835-L872 PolarHBondContact O-N 2.87Å; I835-I873 HydrophobicContact CB-CB 4.15Å; I835-I873 WeakPolarHBondContact CB-O 3.28Å; I835-I873 HydrophobicContact CD1-CB 4.2Å; I835-I873 HydrophobicContact CD1-CG2 4.28Å; I835-I873 HydrophobicContact CG1-CB 4.46Å; I835-I873 PolarHBondContact N-O 3.3Å; I835-I873 PolarHBondContact O-N 2.87Å; I835-I908 HydrophobicContact CD1-CD1 3.63Å; I835-P923 HydrophobicContact CD1-CB 4.11Å; I835-P923 HydrophobicContact CD1-CG 4.26Å |
| 836 | R | 69.3 | Low | 56.5 | Low | 25 Ų | 25 | 47.3 Ų | 47.3 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.2 | -176.5 | -54.1 | -169.4 | -174.9 | 152 | 4.2 | 112.1 | I823 L824 E869 N870 | I823-R836 WeakPolarHBondContact CA-O 2.88Å; L824-R836 PolarHBondContact N-O 2.86Å; L824-R836 PolarHBondContact O-N 2.82Å; R836-E869 WeakPolarHBondContact CD-OE1 3.38Å; R836-E869 IonicContact CZ-OE1 2.71Å; R836-E869 IonicContact NE-OE1 3.43Å; R836-E869 IonicContact NH1-OE1 3.82Å; R836-E869 PolarHBondContact NH1-OE1 2.84Å; R836-E869 IonicContact NH1-OE2 3.34Å; R836-N870 CarbonylContact C-O 3.55Å |
| 837 | H | 66.8 | Low | 54.9 | Low | 20 Ų | 20 | 56.2 Ų | 56.2 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.4 | 171.1 | 174.2 | -129.2 | 0 | 0 | 0 | 109.2 | Q821 C822 N870 L872 | Q821-H837 VanDerWaalsContact CD-NE2 3.26Å; Q821-H837 WeakPolarHBondContact CG-NE2 3.2Å; Q821-H837 PolarHBondContact OE1-NE2 2.91Å; Q821-H837 VanDerWaalsContact OE1-NE2 3.11Å; C822-H837 WeakPolarHBondContact O-CA 3.48Å; H837-N870 HydrophobicContact CB-CB 4.2Å; H837-N870 PolarHBondContact N-O 3.24Å; H837-N870 PolarHBondContact O-N 2.74Å; H837-L872 HydrophobicContact CB-CD1 3.71Å; H837-L872 HydrophobicContact CB-CD2 3.78Å; H837-L872 HydrophobicContact CB-CG 3.51Å |
| 838 | I | 61.2 | Low | 53.5 | Low | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.3 | 179.2 | -63.8 | 169.4 | 0 | 0 | 0 | 106.9 | Q821 C822 L824 F840 L867 I1225 M1263 | Q821-I838 WeakPolarHBondContact CA-O 3.44Å; C822-I838 PolarHBondContact N-O 2.76Å; C822-I838 PolarHBondContact O-N 2.96Å; L824-I838 HydrophobicContact CB-CD1 3.95Å; L824-I838 HydrophobicContact CD2-CD1 4.17Å; I838-F840 HydrophobicContact CG2-CE2 4.24Å; I838-F840 HydrophobicContact CG2-CZ 4.07Å; I838-L867 HydrophobicContact CG2-CD1 3.74Å; I838-I1225 HydrophobicContact CD1-CD1 3.54Å; I838-M1263 HydrophobicContact CD1-CE 3.92Å; I838-M1263 HydrophobicContact CG1-CE 4.43Å; I838-M1263 HydrophobicContact CG2-CE 3.8Å |
| 839 | S | 61.5 | Low | 51.9 | Low | 7 Ų | 7 | 74.1 Ų | 74.1 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 146.9 | -172.5 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | V868 N870 | S839-V868 PolarHBondContact N-O 3.47Å; S839-V868 VanDerWaalsContact N-O 3.14Å; S839-V868 PolarHBondContact O-N 2.67Å; S839-V868 PolarHBondContact OG-O 2.82Å; S839-N870 PolarHBondContact OG-ND2 3.02Å; S839-N870 VanDerWaalsContact OG-ND2 3.15Å |
| 840 | F | 56.6 | Low | 50.7 | Low | 28 Ų | 28 | 78.2 Ų | 78.2 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 97.8 | -176 | -59.1 | -83.7 | 0 | 0 | 0 | 110.5 | S820 I838 R865 E866 L867 Y1223 | S820-F840 WeakPolarHBondContact O-CD2 3.47Å; I838-F840 HydrophobicContact CG2-CE2 4.24Å; I838-F840 HydrophobicContact CG2-CZ 4.07Å; F840-R865 HydrophobicContact CB-CB 4.26Å; F840-E866 WeakPolarHBondContact CA-O 3.22Å; F840-L867 HydrophobicContact CD1-CD1 4.05Å; F840-L867 HydrophobicContact CE1-CD1 3.39Å; F840-L867 HydrophobicContact CZ-CD1 3.85Å; F840-Y1223 AromaticContact CD1-CE2 3.84Å; F840-Y1223 HydrophobicContact CD1-CE2 3.84Å; F840-Y1223 AromaticContact CD1-CZ 3.85Å; F840-Y1223 HydrophobicContact CE1-CD1 4.12Å; F840-Y1223 AromaticContact CE1-CD2 3.66Å; F840-Y1223 HydrophobicContact CE1-CD2 3.66Å; F840-Y1223 AromaticContact CE1-CE1 3.73Å; F840-Y1223 HydrophobicContact CE1-CE1 3.73Å; F840-Y1223 AromaticContact CE1-CE2 3.22Å; F840-Y1223 HydrophobicContact CE1-CE2 3.22Å; F840-Y1223 HydrophobicContact CE1-CG 4.09Å; F840-Y1223 AromaticContact CE1-CZ 3.26Å; F840-Y1223 HydrophobicContact CE2-CD2 4.03Å; F840-Y1223 HydrophobicContact CE2-CE2 4.07Å; F840-Y1223 HydrophobicContact CG-CE2 4.47Å; F840-Y1223 HydrophobicContact CZ-CD1 4.25Å; F840-Y1223 AromaticContact CZ-CD2 3.32Å; F840-Y1223 HydrophobicContact CZ-CD2 3.32Å; F840-Y1223 HydrophobicContact CZ-CE1 4.29Å; F840-Y1223 AromaticContact CZ-CE2 3.38Å; F840-Y1223 HydrophobicContact CZ-CE2 3.38Å; F840-Y1223 AromaticContact CZ-CG 3.79Å; F840-Y1223 HydrophobicContact CZ-CG 3.79Å; F840-Y1223 AromaticContact CZ-CZ 3.89Å |
| 841 | R | 46.1 | Very low | 49.5 | Very low | 173 Ų | 173 | 83 Ų | 83 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131 | -173.3 | -80.6 | -170.5 | 170.4 | -164 | -3.3 | 112.5 | R865 E866 V868 | R841-R865 CarbonylContact O-C 3.5Å; R841-R865 VanDerWaalsContact O-CA 3.23Å; R841-R865 WeakPolarHBondContact O-CA 3.48Å; R841-E866 PolarHBondContact N-O 2.94Å; R841-E866 PolarHBondContact O-N 3.05Å; R841-V868 HydrophobicContact CB-CG2 4.36Å; R841-V868 HydrophobicContact CG-CG2 4.43Å |
| 842 | P | 41.6 | Very low | 48 | Very low | 60 Ų | 60 | 91.9 Ų | 91.9 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 133.4 | 174.3 | 30.3 | -34.2 | 0 | 0 | 0 | 112.3 | T863 R865 | P842-T863 HydrophobicContact CB-CG2 4.33Å; P842-T863 WeakPolarHBondContact CB-OG1 3.39Å; P842-R865 HydrophobicContact CB-CG 4.38Å |
| 843 | T | 34.6 | Very low | 46.3 | Very low | 43 Ų | 43 | 100.2 Ų | 100.2 | 26% | 0.264 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 126.1 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | T863 N864 E866 | T843-T863 WeakPolarHBondContact O-CB 3.45Å; T843-T863 VanDerWaalsContact O-CG2 3.26Å; T843-T863 WeakPolarHBondContact O-CG2 3.19Å; T843-N864 PolarHBondContact N-O 3.08Å; T843-N864 PolarHBondContact OG1-O 2.93Å; T843-E866 HydrophobicContact CG2-CG 3.78Å |
| 844 | F | 37 | Very low | 44.3 | Very low | 172 Ų | 172 | 109.8 Ų | 109.8 | 75% | 0.754 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 123.5 | 171.7 | -72.7 | -84.6 | 0 | 0 | 0 | 110.8 | ||
| 845 | T | 39 | Very low | 42.4 | Very low | 126 Ų | 126 | 120 Ų | 120 | 77% | 0.773 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 119.2 | 175.3 | 47 | 0 | 0 | 0 | 0 | 110.8 | Q847 | T845-Q847 PolarHBondContact O-N 2.78Š|
| 846 | N | 36.1 | Very low | 40.4 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 119.3 | -179.2 | -68.3 | -24.2 | 0 | 0 | 0 | 111.7 | ||
| 847 | Q | 34.7 | Very low | 38.6 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 64% | 0.638 | S | S | * | * | trans | -113.9 | 114.4 | 157.9 | -73.7 | -174 | -22.1 | 0 | 0 | 108.2 | T845 | T845-Q847 PolarHBondContact O-N 2.78Š| ||
| 848 | F | 33.9 | Very low | 36.7 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | trans | -100.4 | 120.1 | 166.7 | -81.5 | -93.5 | 0 | 0 | 0 | 108.1 | ||||
| 849 | E | 29.7 | Very low | 35.1 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -171.7 | 156.5 | 132.1 | -105.7 | 172.5 | -160.8 | 0 | 0 | 109.5 | ||||
| 850 | D | 31.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -79.4 | 141.9 | -162.8 | -60.9 | -68.9 | 0 | 0 | 0 | 114.5 | ||||
| 851 | I | 30.9 | Very low | 32.3 | Very low | 176 Ų | 176 | 155 Ų | 155 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | trans | -172.5 | 157 | 131.9 | -98.7 | 155.1 | 0 | 0 | 0 | 111 | ||||
| 852 | E | 27.4 | Very low | 31.7 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -68.3 | 152.5 | -160.8 | -58 | -176.5 | 123.3 | 0 | 0 | 117.3 | K854 | E852-K854 PolarHBondContact O-N 2.9Š| ||
| 853 | M | 28 | Very low | 31.4 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -43.8 | 121.8 | 176.5 | -63.2 | 177.4 | -79.9 | 0 | 0 | 115.9 | ||||
| 854 | K | 26.8 | Very low | 31.6 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -153.6 | 121.7 | 141.8 | -105.3 | 132.3 | -169.1 | 165.9 | 0 | 113.5 | E852 I856 | E852-K854 PolarHBondContact O-N 2.9Å; K854-I856 PolarHBondContact O-N 2.9Å | ||
| 855 | R | 29.2 | Very low | 31.9 | Very low | 248 Ų | 248 | 156.3 Ų | 156.3 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -36.7 | 117.7 | 175 | -58.5 | 167.7 | -179.8 | 164.2 | -2.3 | 114.1 | ||||
| 856 | I | 27.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 156.3 Ų | 156.3 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -134.8 | 131.6 | 151.6 | -56.6 | -177.4 | 0 | 0 | 0 | 106.8 | K854 V858 | K854-I856 PolarHBondContact O-N 2.9Å; I856-V858 HydrophobicContact CG2-CG2 4Å | ||
| 857 | N | 31.5 | Very low | 33.2 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -81.3 | 119.9 | 172 | -60.3 | -11.8 | 0 | 0 | 0 | 108.1 | ||||
| 858 | V | 26.8 | Very low | 34 | Very low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 70% | 0.701 | S | S | * | * | trans | -138.3 | 134.1 | 165.6 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I856 | I856-V858 HydrophobicContact CG2-CG2 4Š| ||
| 859 | D | 26.9 | Very low | 34.8 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | -68.1 | 153.2 | -167.9 | -49.9 | -65.7 | 0 | 0 | 0 | 115.8 | S861 | D859-S861 PolarHBondContact O-N 2.83Š| ||
| 860 | E | 30.3 | Very low | 35.9 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | trans | 42.8 | 47.6 | 138.2 | -58.4 | -159.2 | 170.4 | 0 | 0 | 119.7 | Y862 | E860-Y862 VanDerWaalsContact C-N 3.31Å; E860-Y862 HydrophobicContact CB-CD2 4.09Å; E860-Y862 HydrophobicContact CB-CE2 3.66Å; E860-Y862 VanDerWaalsContact CD-OH 3.23Å; E860-Y862 HydrophobicContact CG-CE2 4.2Å; E860-Y862 WeakPolarHBondContact O-CD2 3.23Å; E860-Y862 PolarHBondContact O-N 2.86Å; E860-Y862 PolarHBondContact OE1-OH 2.85Å; E860-Y862 WeakPolarHBondContact OE2-CE2 3.37Å; E860-Y862 VanDerWaalsContact OE2-CZ 3.24Å; E860-Y862 PolarHBondContact OE2-OH 2.74Å | ||
| 861 | S | 29.3 | Very low | 37 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 78% | 0.783 | 62% | 0.619 | S | S | * | * | trans | -70.1 | 89.7 | 154.1 | 38 | 0 | 0 | 0 | 0 | 109.7 | D859 T863 | D859-S861 PolarHBondContact O-N 2.83Å; S861-T863 PolarHBondContact O-N 2.92Å | ||
| 862 | Y | 34.2 | Very low | 38.3 | Very low | 163 Ų | 163 | 118.9 Ų | 118.9 | 64% | 0.639 | 58% | 0.584 | S | S | * | * | trans | -63.4 | 94.4 | -177.9 | -80.6 | -88.6 | 0 | 0 | 0 | 112.4 | E860 N864 | E860-Y862 VanDerWaalsContact C-N 3.31Å; E860-Y862 HydrophobicContact CB-CD2 4.09Å; E860-Y862 HydrophobicContact CB-CE2 3.66Å; E860-Y862 VanDerWaalsContact CD-OH 3.23Å; E860-Y862 HydrophobicContact CG-CE2 4.2Å; E860-Y862 WeakPolarHBondContact O-CD2 3.23Å; E860-Y862 PolarHBondContact O-N 2.86Å; E860-Y862 PolarHBondContact OE1-OH 2.85Å; E860-Y862 WeakPolarHBondContact OE2-CE2 3.37Å; E860-Y862 VanDerWaalsContact OE2-CZ 3.24Å; E860-Y862 PolarHBondContact OE2-OH 2.74Å; Y862-N864 PolarHBondContact O-N 2.91Å | ||
| 863 | T | 34.1 | Very low | 39.8 | Very low | 46 Ų | 46 | 111.7 Ų | 111.7 | 28% | 0.282 | 55% | 0.55 | S | S | . | * | trans | -47.6 | 132.4 | 163.1 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | P842 T843 S861 R865 | P842-T863 HydrophobicContact CB-CG2 4.33Å; P842-T863 WeakPolarHBondContact CB-OG1 3.39Å; T843-T863 WeakPolarHBondContact O-CB 3.45Å; T843-T863 VanDerWaalsContact O-CG2 3.26Å; T843-T863 WeakPolarHBondContact O-CG2 3.19Å; S861-T863 PolarHBondContact O-N 2.92Å; T863-R865 PolarHBondContact O-N 3.04Å | ||
| 864 | N | 39.9 | Very low | 41.4 | Very low | 133 Ų | 133 | 105.2 Ų | 105.2 | 71% | 0.711 | 52% | 0.519 | S | S | * | . | trans | -52.6 | 132.8 | 166 | -81 | -24.1 | 0 | 0 | 0 | 109.2 | T843 Y862 | T843-N864 PolarHBondContact N-O 3.08Å; T843-N864 PolarHBondContact OG1-O 2.93Å; Y862-N864 PolarHBondContact O-N 2.91Å | ||
| 865 | R | 42.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 97.2 Ų | 97.2 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 103.1 | 177.2 | -65.9 | -166.8 | -173.8 | -173.3 | 2.8 | 109.5 | F840 R841 P842 T863 | F840-R865 HydrophobicContact CB-CB 4.26Å; R841-R865 CarbonylContact O-C 3.5Å; R841-R865 VanDerWaalsContact O-CA 3.23Å; R841-R865 WeakPolarHBondContact O-CA 3.48Å; P842-R865 HydrophobicContact CB-CG 4.38Å; T863-R865 PolarHBondContact O-N 3.04Å |
| 866 | E | 52 | Low | 44.5 | Very low | 125 Ų | 125 | 86.4 Ų | 86.4 | 58% | 0.584 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 139 | 176.2 | -71.2 | -177.5 | 160.9 | 0 | 0 | 110.7 | F840 R841 T843 V868 | F840-E866 WeakPolarHBondContact CA-O 3.22Å; R841-E866 PolarHBondContact N-O 2.94Å; R841-E866 PolarHBondContact O-N 3.05Å; T843-E866 HydrophobicContact CG2-CG 3.78Å; E866-V868 PolarHBondContact O-N 3.03Å |
| 867 | L | 50.1 | Low | 46.1 | Very low | 32 Ų | 32 | 79.5 Ų | 79.5 | 17% | 0.168 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.5 | 172.1 | 175.9 | 76 | 0 | 0 | 0 | 108.6 | V317 I838 F840 M1263 | V317-L867 HydrophobicContact CB-CD2 4.42Å; V317-L867 HydrophobicContact CG1-CB 4.21Å; V317-L867 HydrophobicContact CG1-CD2 3.9Å; I838-L867 HydrophobicContact CG2-CD1 3.74Å; F840-L867 HydrophobicContact CD1-CD1 4.05Å; F840-L867 HydrophobicContact CE1-CD1 3.39Å; F840-L867 HydrophobicContact CZ-CD1 3.85Å; L867-M1263 HydrophobicContact CD1-CE 3.71Å; L867-M1263 HydrophobicContact CD2-CE 3.92Å; L867-M1263 HydrophobicContact CD2-SD 3.99Å; L867-M1263 HydrophobicContact CG-CE 4.42Å |
| 868 | V | 52.4 | Low | 46.8 | Very low | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 103.2 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | S839 R841 E866 N870 | S839-V868 PolarHBondContact N-O 3.47Å; S839-V868 VanDerWaalsContact N-O 3.14Å; S839-V868 PolarHBondContact O-N 2.67Å; S839-V868 PolarHBondContact OG-O 2.82Å; R841-V868 HydrophobicContact CB-CG2 4.36Å; R841-V868 HydrophobicContact CG-CG2 4.43Å; E866-V868 PolarHBondContact O-N 3.03Å; V868-N870 PolarHBondContact O-N 2.74Å |
| 869 | E | 50.6 | Low | 48 | Very low | 50 Ų | 50 | 68 Ų | 68 | 23% | 0.234 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 98.7 | 168.5 | -177.2 | -179.8 | -135 | 0 | 0 | 109.2 | R836 P871 | R836-E869 WeakPolarHBondContact CD-OE1 3.38Å; R836-E869 IonicContact CZ-OE1 2.71Å; R836-E869 IonicContact NE-OE1 3.43Å; R836-E869 IonicContact NH1-OE1 3.82Å; R836-E869 PolarHBondContact NH1-OE1 2.84Å; R836-E869 IonicContact NH1-OE2 3.34Å; E869-P871 WeakPolarHBondContact O-CD 3.38Å |
| 870 | N | 52.7 | Low | 49.5 | Very low | 60 Ų | 60 | 61.6 Ų | 61.6 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.9 | 170.9 | -60.9 | -67.8 | 0 | 0 | 0 | 108.5 | R836 H837 S839 V868 L872 | R836-N870 CarbonylContact C-O 3.55Å; H837-N870 HydrophobicContact CB-CB 4.2Å; H837-N870 PolarHBondContact N-O 3.24Å; H837-N870 PolarHBondContact O-N 2.74Å; S839-N870 PolarHBondContact OG-ND2 3.02Å; S839-N870 VanDerWaalsContact OG-ND2 3.15Å; V868-N870 PolarHBondContact O-N 2.74Å; N870-L872 PolarHBondContact O-N 2.94Å |
| 871 | P | 54.9 | Low | 51.2 | Low | 45 Ų | 45 | 57.1 Ų | 57.1 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 126.4 | 166.1 | 28 | -34 | 0 | 0 | 0 | 108.7 | P795 E869 | P795-P871 VanDerWaalsContact O-CG 3.3Å; P795-P871 WeakPolarHBondContact O-CG 3.49Å; E869-P871 WeakPolarHBondContact O-CD 3.38Å |
| 872 | L | 57.9 | Low | 53.2 | Low | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -62.2 | 173.4 | -75.7 | 168.7 | 0 | 0 | 0 | 108.9 | I823 I835 H837 N870 I903 | I823-L872 HydrophobicContact CG1-CD1 4.04Å; I823-L872 HydrophobicContact CG2-CD1 4.12Å; I835-L872 HydrophobicContact CG2-CB 4.3Å; I835-L872 HydrophobicContact CG2-CD1 4.02Å; I835-L872 WeakPolarHBondContact O-CB 3.46Å; I835-L872 PolarHBondContact O-N 2.87Å; H837-L872 HydrophobicContact CB-CD1 3.71Å; H837-L872 HydrophobicContact CB-CD2 3.78Å; H837-L872 HydrophobicContact CB-CG 3.51Å; N870-L872 PolarHBondContact O-N 2.94Å; L872-I903 HydrophobicContact CD2-CD1 3.77Å; L872-I903 HydrophobicContact CD2-CG1 4.35Å |
| 873 | I | 58.2 | Low | 55 | Low | 35 Ų | 35 | 45.4 Ų | 45.4 | 18% | 0.179 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 104.4 | -164.3 | -63 | 173.2 | 0 | 0 | 0 | 107.9 | I835 L875 I903 P923 | I835-I873 HydrophobicContact CB-CB 4.15Å; I835-I873 WeakPolarHBondContact CB-O 3.28Å; I835-I873 HydrophobicContact CD1-CB 4.2Å; I835-I873 HydrophobicContact CD1-CG2 4.28Å; I835-I873 HydrophobicContact CG1-CB 4.46Å; I835-I873 PolarHBondContact N-O 3.3Å; I835-I873 PolarHBondContact O-N 2.87Å; I873-L875 HydrophobicContact CG2-CB 4.17Å; I873-L875 HydrophobicContact CG2-CD1 3.58Å; I873-L875 HydrophobicContact CG2-CG 3.46Å; I873-L875 VanDerWaalsContact CG2-CG 3.46Å; I873-L875 PolarHBondContact O-N 3.39Å; I873-I903 HydrophobicContact CD1-CG2 4.45Å; I873-P923 HydrophobicContact CD1-CB 4.01Å |
| 874 | D | 61 | Low | 57 | Low | 46 Ų | 46 | 43.8 Ų | 43.8 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 80.9 | 167.4 | -88.9 | 23.2 | 0 | 0 | 0 | 108.5 | L833 R834 | L833-D874 CarbonylContact O-C 3.57Å; L833-D874 WeakPolarHBondContact O-CA 3.37Å; R834-D874 WeakPolarHBondContact CA-OD1 3.29Å; R834-D874 VanDerWaalsContact CB-OD1 3.23Å; R834-D874 WeakPolarHBondContact CB-OD1 3.45Å; R834-D874 WeakPolarHBondContact CD-OD2 3.48Å; R834-D874 HydrophobicContact CG-CB 4.45Å; R834-D874 VanDerWaalsContact CG-CG 3.49Å; R834-D874 VanDerWaalsContact CG-OD1 3.28Å; R834-D874 WeakPolarHBondContact CG-OD1 3.45Å; R834-D874 IonicContact CZ-OD2 2.69Å; R834-D874 IonicContact NE-OD1 2.73Å; R834-D874 IonicContact NE-OD2 2.63Å; R834-D874 PolarHBondContact NE-OD2 3Å; R834-D874 IonicContact NH2-OD2 2.64Å |
| 875 | L | 56.7 | Low | 59 | Low | 33 Ų | 33 | 38.2 Ų | 38.2 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 144.6 | 175.3 | -93.5 | 162.2 | 0 | 0 | 0 | 111.2 | L833 I873 F921 P923 | L833-L875 CarbonylContact C-O 3.39Å; L833-L875 WeakPolarHBondContact CA-O 3.4Å; L833-L875 HydrophobicContact CB-CB 4.06Å; L833-L875 HydrophobicContact CD2-CB 4.28Å; L833-L875 HydrophobicContact CD2-CD1 4.25Å; L833-L875 HydrophobicContact CG-CB 4.26Å; L833-L875 PolarHBondContact N-O 2.76Å; L833-L875 PolarHBondContact O-N 3.42Å; L833-L875 VanDerWaalsContact O-O 3.06Å; I873-L875 HydrophobicContact CG2-CB 4.17Å; I873-L875 HydrophobicContact CG2-CD1 3.58Å; I873-L875 HydrophobicContact CG2-CG 3.46Å; I873-L875 VanDerWaalsContact CG2-CG 3.46Å; I873-L875 PolarHBondContact O-N 3.39Å; L875-F921 HydrophobicContact CD1-CE2 4.26Å; L875-P923 HydrophobicContact CD1-CB 3.74Å |
| 876 | I | 64.1 | Low | 60.9 | Low | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.9 | 174.6 | -93.6 | 86.4 | 0 | 0 | 0 | 112.6 | K724 G831 E832 S878 | K724-I876 HydrophobicContact CB-CB 3.71Å; K724-I876 HydrophobicContact CB-CD1 3.68Å; K724-I876 HydrophobicContact CB-CG1 3.5Å; K724-I876 VanDerWaalsContact CB-CG1 3.5Å; K724-I876 HydrophobicContact CB-CG2 3.7Å; K724-I876 HydrophobicContact CD-CB 4.35Å; K724-I876 HydrophobicContact CD-CG1 3.81Å; K724-I876 HydrophobicContact CD-CG2 3.72Å; K724-I876 HydrophobicContact CG-CB 4.36Å; K724-I876 HydrophobicContact CG-CD1 4.06Å; K724-I876 HydrophobicContact CG-CG1 3.73Å; K724-I876 HydrophobicContact CG-CG2 4.16Å; K724-I876 WeakPolarHBondContact O-CD1 3.09Å; G831-I876 WeakPolarHBondContact O-CA 3.15Å; E832-I876 HydrophobicContact CB-CD1 3.93Å; E832-I876 HydrophobicContact CB-CG1 4.06Å; E832-I876 HydrophobicContact CG-CD1 3.85Å; E832-I876 HydrophobicContact CG-CG1 3.77Å; I876-S878 PolarHBondContact O-OG 2.87Å |
| 877 | I | 60.9 | Low | 62.4 | Low | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | trans | -134.5 | 110.8 | -154.4 | -53.7 | -169.6 | 0 | 0 | 0 | 107.8 | H644 S645 G831 L833 E880 P882 | H644-I877 HydrophobicContact CB-CG2 4.17Å; S645-I877 WeakPolarHBondContact OG-CG2 3.25Å; G831-I877 WeakPolarHBondContact CA-O 3.23Å; G831-I877 WeakPolarHBondContact O-CB 3.08Å; G831-I877 PolarHBondContact O-N 3.2Å; L833-I877 HydrophobicContact CB-CD1 3.37Å; L833-I877 HydrophobicContact CB-CG1 4.07Å; L833-I877 HydrophobicContact CD2-CD1 3.58Å; L833-I877 HydrophobicContact CG-CD1 4.1Å; I877-E880 CarbonylContact C-O 3.53Å; I877-P882 HydrophobicContact CB-CG 3.66Å; I877-P882 HydrophobicContact CD1-CG 4.2Å; I877-P882 HydrophobicContact CG1-CG 4.48Å; I877-P882 HydrophobicContact CG2-CB 4.2Å; I877-P882 HydrophobicContact CG2-CG 3.4Å | ||
| 878 | S | 47.7 | Very low | 63.8 | Low | 28 Ų | 28 | 26.2 Ų | 26.2 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | trans | -141 | -2.6 | -134.9 | 18.1 | 0 | 0 | 0 | 0 | 120.3 | N646 R706 I876 E880 | N646-S878 VanDerWaalsContact CB-C 3.44Å; N646-S878 VanDerWaalsContact CB-CB 3.42Å; N646-S878 WeakPolarHBondContact CB-OG 3.25Å; N646-S878 PolarHBondContact ND2-O 2.98Å; R706-S878 VanDerWaalsContact CZ-CB 3.43Å; R706-S878 VanDerWaalsContact NH2-CB 3.35Å; I876-S878 PolarHBondContact O-OG 2.87Å; S878-E880 CarbonylContact C-O 3.47Å; S878-E880 PolarHBondContact N-O 3.43Å | ||
| 879 | D | 51.2 | Low | 64.7 | Low | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.059 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -104.8 | -51 | 174.3 | -95.6 | -56.2 | 0 | 0 | 0 | 110.2 | K635 L636 N646 T647 K914 | K635-D879 VanDerWaalsContact C-CG 3.41Å; K635-D879 PolarHBondContact N-OD1 3.23Å; L636-D879 WeakPolarHBondContact CA-OD1 3.39Å; L636-D879 WeakPolarHBondContact CD2-O 3.46Å; L636-D879 PolarHBondContact N-OD1 2.79Å; N646-D879 WeakPolarHBondContact CA-OD2 3.45Å; N646-D879 HydrophobicContact CB-CB 4.13Å; N646-D879 VanDerWaalsContact CG-CG 3.43Å; N646-D879 PolarHBondContact ND2-N 2.95Å; N646-D879 PolarHBondContact ND2-OD1 3.44Å; N646-D879 PolarHBondContact ND2-OD2 3.48Å; N646-D879 VanDerWaalsContact ND2-OD2 3.15Å; N646-D879 PolarHBondContact OD1-OD2 3.4Å; T647-D879 PolarHBondContact N-OD2 2.88Å; D879-K914 PolarHBondContact O-NZ 3.35Å |
| 880 | E | 58.9 | Low | 65.3 | Low | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -89.1 | 150.7 | 139.6 | -61.4 | 100.4 | -103.9 | 0 | 0 | 109.5 | H644 I877 S878 Y912 S913 K914 | H644-E880 CarbonylContact C-O 3.49Å; H644-E880 CarbonylContact O-C 3.4Å; H644-E880 VanDerWaalsContact O-C 3.28Å; H644-E880 WeakPolarHBondContact O-CA 3.38Å; H644-E880 WeakPolarHBondContact O-CB 3.45Å; H644-E880 PolarHBondContact O-N 3.04Å; I877-E880 CarbonylContact C-O 3.53Å; S878-E880 CarbonylContact C-O 3.47Å; S878-E880 PolarHBondContact N-O 3.43Å; E880-Y912 WeakPolarHBondContact OE2-CB 3.32Å; E880-S913 WeakPolarHBondContact CG-OG 3.38Å; E880-S913 PolarHBondContact OE2-N 2.78Å; E880-K914 VanDerWaalsContact CD-CB 3.44Å; E880-K914 HydrophobicContact CG-CB 3.87Å; E880-K914 HydrophobicContact CG-CD 3.68Å; E880-K914 HydrophobicContact CG-CG 3.58Å; E880-K914 WeakPolarHBondContact OE2-CB 3.2Å; E880-K914 PolarHBondContact OE2-N 2.92Å |
| 881 | T | 65.9 | Low | 65.5 | Low | 48 Ų | 48 | 27.6 Ų | 27.6 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | trans | -69.1 | -167.6 | 159 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | E643 H644 I829 | E643-T881 CarbonylContact C-O 3.5Å; E643-T881 WeakPolarHBondContact CA-O 3.24Å; E643-T881 WeakPolarHBondContact CB-O 3.42Å; E643-T881 WeakPolarHBondContact OE2-CB 3.46Å; E643-T881 PolarHBondContact OE2-OG1 2.93Å; H644-T881 WeakPolarHBondContact CA-O 3.45Å; H644-T881 PolarHBondContact N-O 3.35Å; I829-T881 VanDerWaalsContact O-CG2 3.26Å; I829-T881 WeakPolarHBondContact O-CG2 3.49Å | ||
| 882 | P | 71.1 | Confident | 65.5 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -138.1 | 150 | 173.7 | 16 | 12.4 | 0 | 0 | 0 | 118 | E643 H644 I808 L827 I877 | E643-P882 VanDerWaalsContact C-CA 3.5Å; E643-P882 HydrophobicContact CB-CB 4.49Å; E643-P882 WeakPolarHBondContact O-CA 3.47Å; E643-P882 VanDerWaalsContact O-CB 3.23Å; E643-P882 WeakPolarHBondContact O-CB 3.41Å; H644-P882 HydrophobicContact CB-CB 4.18Å; H644-P882 WeakPolarHBondContact CE1-CB 3.42Å; H644-P882 VanDerWaalsContact CG-CB 3.43Å; H644-P882 VanDerWaalsContact ND1-CB 3.27Å; H644-P882 WeakPolarHBondContact ND1-CB 3.48Å; I808-P882 WeakPolarHBondContact CG2-O 3.33Å; L827-P882 HydrophobicContact CD1-CB 4.32Å; L827-P882 HydrophobicContact CD1-CG 3.41Å; L827-P882 VanDerWaalsContact CD1-CG 3.41Å; L827-P882 HydrophobicContact CD2-CB 3.31Å; L827-P882 HydrophobicContact CD2-CG 3.42Å; L827-P882 VanDerWaalsContact CD2-CG 3.42Å; L827-P882 WeakPolarHBondContact CD2-O 3.42Å; L827-P882 HydrophobicContact CG-CB 4.18Å; L827-P882 HydrophobicContact CG-CG 3.78Å; I877-P882 HydrophobicContact CB-CG 3.66Å; I877-P882 HydrophobicContact CD1-CG 4.2Å; I877-P882 HydrophobicContact CG1-CG 4.48Å; I877-P882 HydrophobicContact CG2-CB 4.2Å; I877-P882 HydrophobicContact CG2-CG 3.4Å | ||
| 883 | A | 72.7 | Confident | 65.3 | Low | 30 Ų | 30 | 31.9 Ų | 31.9 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | trans | -143.4 | -30.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T642 E643 I808 A809 | T642-A883 HydrophobicContact CG2-CB 4.45Å; T642-A883 CarbonylContact O-C 3.28Å; T642-A883 PolarHBondContact O-N 3.31Å; T642-A883 VanDerWaalsContact O-N 3.14Å; E643-A883 HydrophobicContact CB-CB 4.06Å; E643-A883 VanDerWaalsContact CD-CB 3.46Å; E643-A883 HydrophobicContact CG-CB 4.02Å; E643-A883 WeakPolarHBondContact OE1-CB 3.35Å; I808-A883 HydrophobicContact CG2-CB 3.85Å; A809-A883 VanDerWaalsContact CB-O 3.22Å; A809-A883 WeakPolarHBondContact CB-O 3.41Å | ||
| 884 | C | 74.8 | Confident | 64.9 | Low | 12 Ų | 12 | 35.7 Ų | 35.7 | 8% | 0.081 | 21% | 0.208 | C | C | . | . | trans | -105.7 | 118.2 | 163.2 | 71.1 | 0 | 0 | 0 | 0 | 110 | T642 H644 G911 L943 | T642-C884 PolarHBondContact O-N 2.61Å; T642-C884 PolarHBondContact O-SG 2.76Å; T642-C884 WeakPolarHBondContact OG1-CB 3.43Å; T642-C884 PolarHBondContact OG1-SG 2.91Å; H644-C884 PolarHBondContact CE1-O 3.44Å; H644-C884 PolarHBondContact ND1-O 3.07Å; C884-G911 VanDerWaalsContact SG-CA 3.55Å; C884-L943 HydrophobicContact CB-CB 4.27Å | ||
| 885 | I | 82.9 | Confident | 64.1 | Low | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135 | 175.9 | -167.7 | 172.2 | 0 | 0 | 0 | 107.3 | D811 A825 L833 I908 | D811-I885 HydrophobicContact CB-CG2 4.14Å; A825-I885 HydrophobicContact CB-CD1 4.31Å; L833-I885 HydrophobicContact CD1-CD1 3.4Å; L833-I885 HydrophobicContact CD2-CD1 3.59Å; L833-I885 HydrophobicContact CG-CD1 4.13Å; I885-I908 HydrophobicContact CD1-CG2 3.92Å; I885-I908 HydrophobicContact CG1-CG2 3.43Å; I885-I908 VanDerWaalsContact CG1-CG2 3.43Å |
| 886 | A | 82 | Confident | 63.4 | Low | 6 Ų | 6 | 42.6 Ų | 42.6 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 125.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I908 A909 L943 Y945 | A886-I908 CarbonylContact O-C 3.29Å; A886-I908 WeakPolarHBondContact O-CA 3.41Å; A886-A909 PolarHBondContact N-O 2.74Å; A886-A909 PolarHBondContact O-N 2.9Å; A886-L943 HydrophobicContact CB-CB 4.36Å; A886-Y945 HydrophobicContact CB-CD2 4.05Å; A886-Y945 HydrophobicContact CB-CE2 4.48Å; A886-Y945 WeakPolarHBondContact O-CE2 3.42Å |
| 887 | I | 84.3 | Confident | 62.5 | Low | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.5 | 177.3 | -54.7 | 166.3 | 0 | 0 | 0 | 109.4 | D811 V813 I823 A825 I906 I908 | D811-I887 HydrophobicContact CB-CD1 4.39Å; D811-I887 HydrophobicContact CB-CG1 4.43Å; D811-I887 PolarHBondContact OD2-N 2.72Å; V813-I887 HydrophobicContact CB-CB 4.34Å; V813-I887 HydrophobicContact CB-CD1 4.43Å; V813-I887 HydrophobicContact CB-CG2 4.05Å; V813-I887 HydrophobicContact CG2-CB 3.66Å; V813-I887 HydrophobicContact CG2-CD1 4.36Å; V813-I887 HydrophobicContact CG2-CG2 3.78Å; I823-I887 HydrophobicContact CG2-CD1 4.38Å; A825-I887 HydrophobicContact CB-CD1 3.99Å; I887-I906 HydrophobicContact CG2-CG2 4.14Å; I887-I908 HydrophobicContact CG1-CD1 4.21Å; I887-I908 HydrophobicContact CG1-CG1 4.16Å |
| 888 | Q | 78.4 | Confident | 61.8 | Low | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 123.8 | 177.7 | -165.6 | 169.5 | -42.7 | 0 | 0 | 110.8 | Q907 Y945 | Q888-Q907 HydrophobicContact CB-CB 3.89Å; Q888-Q907 WeakPolarHBondContact CB-O 3.35Å; Q888-Q907 VanDerWaalsContact CD-OE1 3.25Å; Q888-Q907 PolarHBondContact N-O 2.98Å; Q888-Q907 VanDerWaalsContact OE1-OE1 3.07Å; Q888-Y945 HydrophobicContact CB-CD1 4.16Å; Q888-Y945 HydrophobicContact CB-CD2 4.05Å; Q888-Y945 HydrophobicContact CB-CE1 3.81Å; Q888-Y945 HydrophobicContact CB-CE2 3.71Å; Q888-Y945 HydrophobicContact CB-CG 4.25Å; Q888-Y945 VanDerWaalsContact CD-CE1 3.41Å; Q888-Y945 HydrophobicContact CG-CD1 3.69Å; Q888-Y945 HydrophobicContact CG-CD2 4.48Å; Q888-Y945 HydrophobicContact CG-CE1 3.44Å; Q888-Y945 VanDerWaalsContact CG-CE1 3.44Å; Q888-Y945 HydrophobicContact CG-CE2 4.28Å; Q888-Y945 HydrophobicContact CG-CG 4.19Å; Q888-Y945 PolarHBondContact OE1-OH 2.85Å |
| 889 | P | 72 | Confident | 61.9 | Low | 34 Ų | 34 | 61.5 Ų | 61.5 | 22% | 0.221 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 134.9 | 176.1 | 30 | -33.4 | 0 | 0 | 0 | 111.5 | P947 | P889-P947 WeakPolarHBondContact CG-O 3.31Š|
| 890 | K | 64 | Low | 61.6 | Low | 75 Ų | 75 | 67.5 Ų | 67.5 | 33% | 0.326 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 132.5 | 173.5 | -163.9 | -176.5 | -168.2 | 173.6 | 0 | 110.9 | N892 W893 W905 | K890-N892 WeakPolarHBondContact CE-O 3.43Å; K890-W893 HydrophobicContact CB-CH2 4.42Å; K890-W893 HydrophobicContact CB-CZ2 3.82Å; K890-W893 PolarHBondContact O-NE1 2.99Å; K890-W905 HydrophobicContact CB-CD2 4.29Å; K890-W905 HydrophobicContact CB-CE3 3.78Å; K890-W905 HydrophobicContact CB-CZ3 4.3Å; K890-W905 HydrophobicContact CD-CB 3.74Å; K890-W905 HydrophobicContact CD-CD2 4.24Å; K890-W905 HydrophobicContact CD-CG 3.88Å; K890-W905 HydrophobicContact CG-CB 4.49Å |
| 891 | S | 56.3 | Low | 61.2 | Low | 75 Ų | 75 | 71.6 Ų | 71.6 | 52% | 0.524 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -79.8 | -52.4 | -178.5 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 892 | N | 54.5 | Low | 60.7 | Low | 109 Ų | 109 | 73.9 Ų | 73.9 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | trans | -100.9 | 123.2 | -175.6 | -71.9 | -10.8 | 0 | 0 | 0 | 112.1 | K890 | K890-N892 WeakPolarHBondContact CE-O 3.43Š| ||
| 893 | W | 52.8 | Low | 60.4 | Low | 55 Ų | 55 | 76.3 Ų | 76.3 | 21% | 0.208 | 41% | 0.412 | C | S | . | . | trans | -115.2 | -11.6 | -176.6 | -70.2 | 89.9 | 0 | 0 | 0 | 114.1 | I815 K890 E895 L896 W905 | I815-W893 HydrophobicContact CB-CH2 4.3Å; I815-W893 HydrophobicContact CG2-CH2 3.71Å; I815-W893 HydrophobicContact CG2-CZ3 3.53Å; I815-W893 WeakPolarHBondContact O-CH2 3.38Å; I815-W893 WeakPolarHBondContact O-CZ3 3.34Å; K890-W893 HydrophobicContact CB-CH2 4.42Å; K890-W893 HydrophobicContact CB-CZ2 3.82Å; K890-W893 PolarHBondContact O-NE1 2.99Å; W893-E895 PolarHBondContact O-N 2.86Å; W893-L896 HydrophobicContact CE3-CD1 4.24Å; W893-L896 HydrophobicContact CZ3-CD1 4.33Å; W893-L896 PolarHBondContact O-N 2.83Å; W893-W905 HydrophobicContact CH2-CD2 4.41Å; W893-W905 AromaticContact CH2-CE2 3.91Å; W893-W905 AromaticContact CH2-CH2 3.97Å; W893-W905 HydrophobicContact CH2-CH2 3.97Å; W893-W905 AromaticContact CH2-CZ2 3.69Å; W893-W905 HydrophobicContact CH2-CZ2 3.69Å; W893-W905 HydrophobicContact CH2-CZ3 4.45Å; W893-W905 HydrophobicContact CZ2-CH2 4.45Å; W893-W905 HydrophobicContact CZ3-CZ2 4.49Å | ||
| 894 | S | 50.4 | Low | 59.6 | Low | 115 Ų | 115 | 77.1 Ų | 77.1 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -3.5 | -168.9 | 44.1 | 0 | 0 | 0 | 0 | 116 | ||
| 895 | E | 43.7 | Very low | 59 | Low | 176 Ų | 176 | 77.9 Ų | 77.9 | 82% | 0.822 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -3.9 | -177.2 | -62.3 | 177.5 | 148.7 | 0 | 0 | 113 | W893 | W893-E895 PolarHBondContact O-N 2.86Š|
| 896 | L | 42.9 | Very low | 58.7 | Low | 49 Ų | 49 | 77.2 Ų | 77.2 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | trans | -93.8 | 107.6 | 179.9 | -85 | 164 | 0 | 0 | 0 | 111.1 | W893 L898 D902 | W893-L896 HydrophobicContact CE3-CD1 4.24Å; W893-L896 HydrophobicContact CZ3-CD1 4.33Å; W893-L896 PolarHBondContact O-N 2.83Å; L896-L898 PolarHBondContact O-N 3.42Å; L896-D902 HydrophobicContact CD2-CB 4.4Å | ||
| 897 | N | 45.5 | Very low | 58.3 | Low | 143 Ų | 143 | 77.7 Ų | 77.7 | 77% | 0.765 | 41% | 0.414 | S | S | * | . | trans | -68.6 | 115.9 | 162.6 | -72 | -23.5 | 0 | 0 | 0 | 108.5 | E899 | N897-E899 PolarHBondContact O-N 3.19Š| ||
| 898 | L | 46.4 | Very low | 58.3 | Low | 116 Ų | 116 | 77.3 Ų | 77.3 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.4 | -168.8 | -110.1 | 89 | 0 | 0 | 0 | 116.3 | L896 | L896-L898 PolarHBondContact O-N 3.42Š|
| 899 | E | 48.2 | Very low | 58.5 | Low | 190 Ų | 190 | 76.1 Ų | 76.1 | 89% | 0.888 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -32.6 | -179.4 | -59.8 | -168.7 | 149.5 | 0 | 0 | 111.9 | N897 | N897-E899 PolarHBondContact O-N 3.19Š|
| 900 | D | 45 | Very low | 59.1 | Low | 136 Ų | 136 | 74.5 Ų | 74.5 | 73% | 0.727 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -103.8 | 108.1 | 170.2 | -72.4 | -53.4 | 0 | 0 | 0 | 110 | D902 | D900-D902 VanDerWaalsContact C-N 3.25Å; D900-D902 PolarHBondContact O-N 2.86Å |
| 901 | V | 52.1 | Low | 59.9 | Low | 88 Ų | 88 | 71 Ų | 71 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | trans | -78.7 | 77.1 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | I903 | V901-I903 WeakPolarHBondContact O-CG1 3.22Å; V901-I903 PolarHBondContact O-N 3.3Å; V901-I903 VanDerWaalsContact O-N 3.12Å | ||
| 902 | D | 54.9 | Low | 61.2 | Low | 96 Ų | 96 | 67.5 Ų | 67.5 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | trans | -74.4 | 100.9 | -178.4 | -158.7 | 35.6 | 0 | 0 | 0 | 110.4 | L896 D900 S904 | L896-D902 HydrophobicContact CD2-CB 4.4Å; D900-D902 VanDerWaalsContact C-N 3.25Å; D900-D902 PolarHBondContact O-N 2.86Å; D902-S904 PolarHBondContact O-N 3.29Å; D902-S904 PolarHBondContact OD2-OG 2.9Å | ||
| 903 | I | 63.8 | Low | 62 | Low | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.256 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -72.8 | -12.1 | -172.8 | -53.9 | 163.8 | 0 | 0 | 0 | 111.5 | L872 I873 V901 W905 I906 A924 | L872-I903 HydrophobicContact CD2-CD1 3.77Å; L872-I903 HydrophobicContact CD2-CG1 4.35Å; I873-I903 HydrophobicContact CD1-CG2 4.45Å; V901-I903 WeakPolarHBondContact O-CG1 3.22Å; V901-I903 PolarHBondContact O-N 3.3Å; V901-I903 VanDerWaalsContact O-N 3.12Å; I903-W905 PolarHBondContact O-N 2.92Å; I903-I906 HydrophobicContact CG2-CD1 3.51Å; I903-I906 HydrophobicContact CG2-CG1 4.05Å; I903-I906 PolarHBondContact O-N 2.83Å; I903-A924 HydrophobicContact CB-CB 4.25Å; I903-A924 HydrophobicContact CG2-CB 4.04Å; I903-A924 WeakPolarHBondContact O-CB 3.17Å |
| 904 | S | 57.1 | Low | 62.6 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -43.7 | -31 | -176.1 | 61.3 | 0 | 0 | 0 | 0 | 116.1 | D902 S922 | D902-S904 PolarHBondContact O-N 3.29Å; D902-S904 PolarHBondContact OD2-OG 2.9Å; S904-S922 PolarHBondContact O-OG 3.17Å |
| 905 | W | 62.7 | Low | 63.8 | Low | 29 Ų | 29 | 58.8 Ų | 58.8 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -75.8 | -17.7 | -178.9 | 67.8 | -92.3 | 0 | 0 | 0 | 115 | V813 I815 I823 K890 W893 I903 Q907 | V813-W905 HydrophobicContact CG1-CH2 4.25Å; V813-W905 HydrophobicContact CG1-CZ3 4.46Å; I815-W905 HydrophobicContact CG1-CZ2 4.24Å; I815-W905 HydrophobicContact CG2-CZ2 4.44Å; I823-W905 HydrophobicContact CD1-CH2 3.59Å; I823-W905 HydrophobicContact CD1-CZ2 3.58Å; K890-W905 HydrophobicContact CB-CD2 4.29Å; K890-W905 HydrophobicContact CB-CE3 3.78Å; K890-W905 HydrophobicContact CB-CZ3 4.3Å; K890-W905 HydrophobicContact CD-CB 3.74Å; K890-W905 HydrophobicContact CD-CD2 4.24Å; K890-W905 HydrophobicContact CD-CG 3.88Å; K890-W905 HydrophobicContact CG-CB 4.49Å; W893-W905 HydrophobicContact CH2-CD2 4.41Å; W893-W905 AromaticContact CH2-CE2 3.91Å; W893-W905 AromaticContact CH2-CH2 3.97Å; W893-W905 HydrophobicContact CH2-CH2 3.97Å; W893-W905 AromaticContact CH2-CZ2 3.69Å; W893-W905 HydrophobicContact CH2-CZ2 3.69Å; W893-W905 HydrophobicContact CH2-CZ3 4.45Å; W893-W905 HydrophobicContact CZ2-CH2 4.45Å; W893-W905 HydrophobicContact CZ3-CZ2 4.49Å; I903-W905 PolarHBondContact O-N 2.92Å; W905-Q907 PolarHBondContact O-N 3.12Å |
| 906 | I | 74.7 | Confident | 65.2 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -64.3 | 128.3 | 178.1 | -56.7 | -178.8 | 0 | 0 | 0 | 107.7 | I823 I887 I903 I908 S922 P923 | I823-I906 HydrophobicContact CD1-CD1 3.66Å; I823-I906 HydrophobicContact CD1-CG1 4.2Å; I823-I906 HydrophobicContact CG2-CD1 4.43Å; I887-I906 HydrophobicContact CG2-CG2 4.14Å; I903-I906 HydrophobicContact CG2-CD1 3.51Å; I903-I906 HydrophobicContact CG2-CG1 4.05Å; I903-I906 PolarHBondContact O-N 2.83Å; I906-I908 HydrophobicContact CG2-CD1 4.29Å; I906-I908 HydrophobicContact CG2-CG1 3.99Å; I906-S922 WeakPolarHBondContact O-CA 3.47Å; I906-S922 WeakPolarHBondContact O-CB 3.29Å; I906-S922 PolarHBondContact O-OG 2.87Å; I906-P923 HydrophobicContact CB-CG 4.01Å; I906-P923 HydrophobicContact CG2-CG 3.49Å; I906-P923 VanDerWaalsContact CG2-CG 3.49Å; I906-P923 WeakPolarHBondContact O-CD 3.44Å | ||
| 907 | Q | 75.4 | Confident | 67.1 | Low | 15 Ų | 15 | 48.6 Ų | 48.6 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -130.7 | 140.9 | 171 | -56.1 | 179.4 | -6.8 | 0 | 0 | 106.8 | Q888 W905 V920 F921 L929 | Q888-Q907 HydrophobicContact CB-CB 3.89Å; Q888-Q907 WeakPolarHBondContact CB-O 3.35Å; Q888-Q907 VanDerWaalsContact CD-OE1 3.25Å; Q888-Q907 PolarHBondContact N-O 2.98Å; Q888-Q907 VanDerWaalsContact OE1-OE1 3.07Å; W905-Q907 PolarHBondContact O-N 3.12Å; Q907-V920 HydrophobicContact CB-CG1 4.41Å; Q907-F921 CarbonylContact C-O 3.59Å; Q907-F921 WeakPolarHBondContact CA-O 3.45Å; Q907-L929 HydrophobicContact CB-CD1 4.28Å; Q907-L929 HydrophobicContact CG-CD1 3.69Å | ||
| 908 | I | 83.6 | Confident | 68.8 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 129.6 | -176 | -56.6 | -173.8 | 0 | 0 | 0 | 108.6 | I835 I885 A886 I887 I906 V920 F921 P923 | I835-I908 HydrophobicContact CD1-CD1 3.63Å; I885-I908 HydrophobicContact CD1-CG2 3.92Å; I885-I908 HydrophobicContact CG1-CG2 3.43Å; I885-I908 VanDerWaalsContact CG1-CG2 3.43Å; A886-I908 CarbonylContact O-C 3.29Å; A886-I908 WeakPolarHBondContact O-CA 3.41Å; I887-I908 HydrophobicContact CG1-CD1 4.21Å; I887-I908 HydrophobicContact CG1-CG1 4.16Å; I906-I908 HydrophobicContact CG2-CD1 4.29Å; I906-I908 HydrophobicContact CG2-CG1 3.99Å; I908-V920 WeakPolarHBondContact O-CA 3.26Å; I908-F921 HydrophobicContact CB-CD2 4.35Å; I908-F921 HydrophobicContact CB-CE2 4.01Å; I908-F921 HydrophobicContact CD1-CE2 4.5Å; I908-F921 HydrophobicContact CG2-CE2 4.49Å; I908-F921 PolarHBondContact N-O 2.75Å; I908-F921 PolarHBondContact O-N 2.76Å; I908-P923 HydrophobicContact CD1-CB 4.35Å; I908-P923 HydrophobicContact CD1-CG 3.74Å; I908-P923 HydrophobicContact CG1-CG 3.94Å |
| 909 | A | 82.3 | Confident | 70.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | A886 V920 L943 Y945 L952 | A886-A909 PolarHBondContact N-O 2.74Å; A886-A909 PolarHBondContact O-N 2.9Å; A909-V920 HydrophobicContact CB-CG2 3.84Å; A909-L943 VanDerWaalsContact C-CD1 3.45Å; A909-L943 HydrophobicContact CB-CD1 3.98Å; A909-L943 HydrophobicContact CB-CD2 4.44Å; A909-Y945 HydrophobicContact CB-CD2 4.34Å; A909-Y945 HydrophobicContact CB-CE2 3.43Å; A909-Y945 VanDerWaalsContact CB-CE2 3.43Å; A909-L952 HydrophobicContact CB-CD1 3.72Å; A909-L952 HydrophobicContact CB-CD2 4.09Å |
| 910 | C | 85.3 | Confident | 72 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 118.2 | -166 | -68.1 | 0 | 0 | 0 | 0 | 109 | H644 Y912 V918 R919 F921 L943 | H644-C910 HydrophobicContact CB-CB 3.87Å; H644-C910 PolarHBondContact CD2-SG 2.78Å; H644-C910 PolarHBondContact CE1-SG 2.78Å; H644-C910 WeakPolarHBondContact ND1-CB 3.41Å; H644-C910 PolarHBondContact NE2-SG 3.26Å; C910-Y912 HydrophobicContact CB-CE2 3.96Å; C910-Y912 VanDerWaalsContact O-CD2 3.29Å; C910-Y912 WeakPolarHBondContact O-CD2 3.39Å; C910-Y912 VanDerWaalsContact O-CE2 3.29Å; C910-Y912 WeakPolarHBondContact O-CE2 3.42Å; C910-V918 CarbonylContact O-C 3.56Å; C910-V918 WeakPolarHBondContact O-CA 3.12Å; C910-R919 WeakPolarHBondContact CB-O 3.25Å; C910-R919 PolarHBondContact N-O 3.42Å; C910-R919 PolarHBondContact O-N 3.41Å; C910-F921 HydrophobicContact CB-CD1 4.45Å; C910-F921 HydrophobicContact CB-CE1 3.85Å; C910-F921 WeakPolarHBondContact SG-CE1 3.35Å; C910-F921 WeakPolarHBondContact SG-CZ 3.39Å; C910-L943 VanDerWaalsContact N-CD1 3.28Å |
| 911 | G | 81.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T642 E643 C884 L917 | T642-G911 CarbonylContact C-O 3.6Å; E643-G911 CarbonylContact C-O 3.56Å; E643-G911 WeakPolarHBondContact CA-O 3.46Å; E643-G911 PolarHBondContact N-O 2.81Å; C884-G911 VanDerWaalsContact SG-CA 3.55Å; G911-L917 CarbonylContact C-O 3.6Å; G911-L917 WeakPolarHBondContact CA-O 3.13Å |
| 912 | Y | 82.9 | Confident | 74.5 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | trans | -109.2 | 134.7 | -154.3 | -80.8 | -114.5 | 0 | 0 | 0 | 114.6 | S641 H644 S645 E880 C910 K914 T915 G916 L917 R919 | S641-Y912 CarbonylContact O-C 3.48Å; H644-Y912 VanDerWaalsContact C-CD1 3.46Å; H644-Y912 VanDerWaalsContact C-CZ 3.49Å; H644-Y912 HydrophobicContact CB-CD1 4.03Å; H644-Y912 HydrophobicContact CB-CD2 3.66Å; H644-Y912 HydrophobicContact CB-CE1 3.67Å; H644-Y912 HydrophobicContact CB-CE2 3.22Å; H644-Y912 HydrophobicContact CB-CG 4.03Å; H644-Y912 WeakPolarHBondContact O-CD1 3.31Å; H644-Y912 WeakPolarHBondContact O-CE1 3.13Å; S645-Y912 VanDerWaalsContact CB-OH 3.28Å; S645-Y912 WeakPolarHBondContact CB-OH 3.36Å; S645-Y912 VanDerWaalsContact N-CZ 3.27Å; S645-Y912 PolarHBondContact N-OH 3.32Å; S645-Y912 VanDerWaalsContact N-OH 3.11Å; S645-Y912 PolarHBondContact OG-OH 2.67Å; S645-Y912 VanDerWaalsContact OG-OH 3.11Å; E880-Y912 WeakPolarHBondContact OE2-CB 3.32Å; C910-Y912 HydrophobicContact CB-CE2 3.96Å; C910-Y912 VanDerWaalsContact O-CD2 3.29Å; C910-Y912 WeakPolarHBondContact O-CD2 3.39Å; C910-Y912 VanDerWaalsContact O-CE2 3.29Å; C910-Y912 WeakPolarHBondContact O-CE2 3.42Å; Y912-K914 VanDerWaalsContact C-N 3.31Å; Y912-K914 PolarHBondContact O-N 3Å; Y912-T915 WeakPolarHBondContact CB-OG1 3.49Å; Y912-G916 PolarHBondContact O-N 3.29Å; Y912-L917 WeakPolarHBondContact CB-O 3.4Å; Y912-L917 HydrophobicContact CD2-CB 4.47Å; Y912-L917 VanDerWaalsContact CD2-O 3.31Å; Y912-L917 WeakPolarHBondContact CD2-O 3.44Å; Y912-L917 HydrophobicContact CG-CB 4.48Å; Y912-L917 PolarHBondContact N-O 3.06Å; Y912-R919 HydrophobicContact CD2-CG 4.29Å; Y912-R919 HydrophobicContact CE2-CB 3.71Å; Y912-R919 HydrophobicContact CE2-CG 3.69Å; Y912-R919 VanDerWaalsContact CZ-CD 3.46Å; Y912-R919 WeakPolarHBondContact OH-CD 3.3Å | ||
| 913 | S | 69.9 | Low | 75.1 | Confident | 25 Ų | 25 | 14.3 Ų | 14.3 | 18% | 0.175 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5 | -167.9 | 64.7 | 0 | 0 | 0 | 0 | 117.6 | K640 S641 E643 E880 | K640-S913 CarbonylContact C-O 3.46Å; K640-S913 WeakPolarHBondContact CA-O 3.3Å; K640-S913 PolarHBondContact N-O 3.27Å; K640-S913 VanDerWaalsContact N-O 3.07Å; K640-S913 CarbonylContact O-C 3.37Å; K640-S913 WeakPolarHBondContact O-CA 3.26Å; K640-S913 VanDerWaalsContact O-O 3.12Å; S641-S913 VanDerWaalsContact C-CB 3.41Å; S641-S913 VanDerWaalsContact CA-CA 3.42Å; S641-S913 PolarHBondContact N-O 3.12Å; S641-S913 VanDerWaalsContact O-CA 3.24Å; S641-S913 WeakPolarHBondContact O-CA 3.47Å; S641-S913 PolarHBondContact O-N 3.38Å; E643-S913 VanDerWaalsContact CA-CB 3.48Å; E643-S913 WeakPolarHBondContact CA-OG 3.47Å; E643-S913 WeakPolarHBondContact CG-OG 3.29Å; E643-S913 VanDerWaalsContact N-CB 3.25Å; E880-S913 WeakPolarHBondContact CG-OG 3.38Å; E880-S913 PolarHBondContact OE2-N 2.78Å |
| 914 | K | 66.8 | Low | 75 | Confident | 56 Ų | 56 | 13.7 Ų | 13.7 | 24% | 0.243 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -61.3 | 162.6 | -63.3 | 173.7 | -154.7 | 141.8 | 0 | 107.9 | Q637 E638 E639 K640 D879 E880 Y912 G916 | Q637-K914 VanDerWaalsContact O-CB 3.27Å; Q637-K914 WeakPolarHBondContact O-CB 3.49Å; Q637-K914 WeakPolarHBondContact O-CD 3.2Å; E638-K914 VanDerWaalsContact C-CB 3.41Å; E638-K914 CarbonylContact O-C 3.57Å; E638-K914 WeakPolarHBondContact O-CA 3.47Å; E638-K914 WeakPolarHBondContact O-CB 3.43Å; E639-K914 VanDerWaalsContact C-CA 3.48Å; E639-K914 CarbonylContact C-O 3.57Å; K640-K914 VanDerWaalsContact N-CA 3.3Å; K640-K914 PolarHBondContact N-O 2.98Å; K640-K914 CarbonylContact O-C 3.57Å; K640-K914 PolarHBondContact O-N 2.96Å; K640-K914 VanDerWaalsContact O-O 3.12Å; D879-K914 PolarHBondContact O-NZ 3.35Å; E880-K914 VanDerWaalsContact CD-CB 3.44Å; E880-K914 HydrophobicContact CG-CB 3.87Å; E880-K914 HydrophobicContact CG-CD 3.68Å; E880-K914 HydrophobicContact CG-CG 3.58Å; E880-K914 WeakPolarHBondContact OE2-CB 3.2Å; E880-K914 PolarHBondContact OE2-N 2.92Å; Y912-K914 VanDerWaalsContact C-N 3.31Å; Y912-K914 PolarHBondContact O-N 3Å; K914-G916 VanDerWaalsContact C-N 3.35Å; K914-G916 PolarHBondContact O-N 2.96Å; K914-G916 VanDerWaalsContact O-N 3.13Å |
| 915 | T | 74.8 | Confident | 75.2 | Confident | 14 Ų | 14 | 15.1 Ų | 15.1 | 9% | 0.086 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -15.8 | -166.4 | 58.3 | 0 | 0 | 0 | 0 | 118.3 | Q637 Y912 L917 D937 | Q637-T915 HydrophobicContact CB-CG2 3.17Å; Q637-T915 HydrophobicContact CG-CG2 4.02Å; Y912-T915 WeakPolarHBondContact CB-OG1 3.49Å; T915-L917 HydrophobicContact CG2-CD1 3.86Å; T915-L917 HydrophobicContact CG2-CG 4.4Å; T915-L917 PolarHBondContact O-N 3.28Å; T915-L917 VanDerWaalsContact OG1-CB 3.24Å; T915-L917 WeakPolarHBondContact OG1-CB 3.45Å; T915-L917 VanDerWaalsContact OG1-CD1 3.3Å; T915-L917 WeakPolarHBondContact OG1-CD1 3.42Å; T915-L917 WeakPolarHBondContact OG1-CG 3.42Å; T915-L917 PolarHBondContact OG1-N 3.27Å; T915-L917 VanDerWaalsContact OG1-N 3.16Å; T915-D937 WeakPolarHBondContact O-CA 3.13Å; T915-D937 PolarHBondContact O-N 2.81Å |
| 916 | G | 74.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 67.7 | 5.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y912 K914 H935 Y938 V940 | Y912-G916 PolarHBondContact O-N 3.29Å; K914-G916 VanDerWaalsContact C-N 3.35Å; K914-G916 PolarHBondContact O-N 2.96Å; K914-G916 VanDerWaalsContact O-N 3.13Å; G916-H935 WeakPolarHBondContact O-CB 3.4Å; G916-Y938 WeakPolarHBondContact CA-O 3.4Å; G916-V940 VanDerWaalsContact O-CG2 3.23Å; G916-V940 WeakPolarHBondContact O-CG2 3.11Å | ||
| 917 | L | 82.7 | Confident | 74.7 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.063 | 13% | 0.132 | C | C | . | . | trans | -72.2 | 140.9 | 180 | -66.8 | 167 | 0 | 0 | 0 | 110.6 | G911 Y912 T915 R919 E931 N933 | G911-L917 CarbonylContact C-O 3.6Å; G911-L917 WeakPolarHBondContact CA-O 3.13Å; Y912-L917 WeakPolarHBondContact CB-O 3.4Å; Y912-L917 HydrophobicContact CD2-CB 4.47Å; Y912-L917 VanDerWaalsContact CD2-O 3.31Å; Y912-L917 WeakPolarHBondContact CD2-O 3.44Å; Y912-L917 HydrophobicContact CG-CB 4.48Å; Y912-L917 PolarHBondContact N-O 3.06Å; T915-L917 HydrophobicContact CG2-CD1 3.86Å; T915-L917 HydrophobicContact CG2-CG 4.4Å; T915-L917 PolarHBondContact O-N 3.28Å; T915-L917 VanDerWaalsContact OG1-CB 3.24Å; T915-L917 WeakPolarHBondContact OG1-CB 3.45Å; T915-L917 VanDerWaalsContact OG1-CD1 3.3Å; T915-L917 WeakPolarHBondContact OG1-CD1 3.42Å; T915-L917 WeakPolarHBondContact OG1-CG 3.42Å; T915-L917 PolarHBondContact OG1-N 3.27Å; T915-L917 VanDerWaalsContact OG1-N 3.16Å; L917-R919 HydrophobicContact CB-CG 4.44Å; L917-E931 HydrophobicContact CD1-CG 4.47Å; L917-E931 WeakPolarHBondContact CD1-OE1 3.46Å; L917-E931 HydrophobicContact CD2-CG 3.86Å; L917-N933 HydrophobicContact CD2-CB 3.38Å; L917-N933 VanDerWaalsContact CD2-CG 3.41Å | ||
| 918 | V | 81.6 | Confident | 74.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107.9 | 159.4 | 170.1 | 0 | 0 | 0 | 0 | 107.9 | C910 L932 V940 L943 L952 T954 | C910-V918 CarbonylContact O-C 3.56Å; C910-V918 WeakPolarHBondContact O-CA 3.12Å; V918-L932 HydrophobicContact CB-CB 4.07Å; V918-L932 HydrophobicContact CB-CD1 4.32Å; V918-L932 HydrophobicContact CG1-CD1 3.98Å; V918-L932 PolarHBondContact N-O 3.47Å; V918-L932 VanDerWaalsContact O-CB 3.28Å; V918-L932 WeakPolarHBondContact O-CB 3.48Å; V918-L932 WeakPolarHBondContact O-CG 3.34Å; V918-L932 PolarHBondContact O-N 3.29Å; V918-V940 HydrophobicContact CG2-CG1 3.72Å; V918-V940 HydrophobicContact CG2-CG2 4.06Å; V918-L943 HydrophobicContact CB-CD2 4.34Å; V918-L943 HydrophobicContact CG1-CD1 4.19Å; V918-L943 HydrophobicContact CG1-CD2 3.64Å; V918-L943 HydrophobicContact CG2-CD1 4.4Å; V918-L943 HydrophobicContact CG2-CD2 3.72Å; V918-L943 HydrophobicContact CG2-CG 4.35Å; V918-L952 HydrophobicContact CG1-CD2 3.91Å; V918-T954 HydrophobicContact CB-CG2 4.14Å; V918-T954 HydrophobicContact CG1-CG2 4Å; V918-T954 HydrophobicContact CG2-CG2 3.77Å |
| 919 | R | 82.3 | Confident | 74.2 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.1 | 172.9 | -61.5 | -178.3 | 170.2 | 127.4 | 4.4 | 107.9 | C910 Y912 L917 M928 E931 | C910-R919 WeakPolarHBondContact CB-O 3.25Å; C910-R919 PolarHBondContact N-O 3.42Å; C910-R919 PolarHBondContact O-N 3.41Å; Y912-R919 HydrophobicContact CD2-CG 4.29Å; Y912-R919 HydrophobicContact CE2-CB 3.71Å; Y912-R919 HydrophobicContact CE2-CG 3.69Å; Y912-R919 VanDerWaalsContact CZ-CD 3.46Å; Y912-R919 WeakPolarHBondContact OH-CD 3.3Å; L917-R919 HydrophobicContact CB-CG 4.44Å; R919-M928 HydrophobicContact CB-CG 4.08Å; R919-M928 HydrophobicContact CB-SD 3.88Å; R919-M928 VanDerWaalsContact CD-SD 3.56Å; R919-M928 HydrophobicContact CG-CE 4.3Å; R919-M928 HydrophobicContact CG-CG 4.47Å; R919-M928 HydrophobicContact CG-SD 3.6Å; R919-E931 HydrophobicContact CG-CG 4.19Å; R919-E931 IonicContact CZ-OE1 3.68Å; R919-E931 IonicContact NE-OE1 3.21Å; R919-E931 PolarHBondContact NE-OE1 3.34Å; R919-E931 IonicContact NH2-OE1 3.16Å; R919-E931 PolarHBondContact NH2-OE1 2.99Å |
| 920 | V | 79 | Confident | 73.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 125.9 | 165.8 | 176.2 | 0 | 0 | 0 | 0 | 108 | Q907 I908 A909 M928 L929 Y930 Y945 L952 | Q907-V920 HydrophobicContact CB-CG1 4.41Å; I908-V920 WeakPolarHBondContact O-CA 3.26Å; A909-V920 HydrophobicContact CB-CG2 3.84Å; V920-M928 CarbonylContact O-C 3.48Å; V920-M928 WeakPolarHBondContact O-CA 3.25Å; V920-L929 HydrophobicContact CG1-CD1 4.31Å; V920-L929 PolarHBondContact O-N 2.86Å; V920-Y930 HydrophobicContact CB-CD2 3.97Å; V920-Y930 HydrophobicContact CB-CE1 4.29Å; V920-Y930 HydrophobicContact CB-CE2 3.5Å; V920-Y930 VanDerWaalsContact CB-CE2 3.5Å; V920-Y930 HydrophobicContact CG1-CE1 4.31Å; V920-Y930 HydrophobicContact CG1-CE2 4.22Å; V920-Y930 HydrophobicContact CG2-CD2 4.02Å; V920-Y930 HydrophobicContact CG2-CE2 3.26Å; V920-Y930 PolarHBondContact N-O 3.18Å; V920-Y930 VanDerWaalsContact N-O 3.08Å; V920-Y945 WeakPolarHBondContact CG1-OH 3.24Å; V920-L952 HydrophobicContact CG2-CD2 3.65Å |
| 921 | F | 75.6 | Confident | 73.6 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.6 | 174.2 | 55.9 | -107.4 | 0 | 0 | 0 | 111.9 | L875 Q907 I908 C910 P923 Q927 | L875-F921 HydrophobicContact CD1-CE2 4.26Å; Q907-F921 CarbonylContact C-O 3.59Å; Q907-F921 WeakPolarHBondContact CA-O 3.45Å; I908-F921 HydrophobicContact CB-CD2 4.35Å; I908-F921 HydrophobicContact CB-CE2 4.01Å; I908-F921 HydrophobicContact CD1-CE2 4.5Å; I908-F921 HydrophobicContact CG2-CE2 4.49Å; I908-F921 PolarHBondContact N-O 2.75Å; I908-F921 PolarHBondContact O-N 2.76Å; C910-F921 HydrophobicContact CB-CD1 4.45Å; C910-F921 HydrophobicContact CB-CE1 3.85Å; C910-F921 WeakPolarHBondContact SG-CE1 3.35Å; C910-F921 WeakPolarHBondContact SG-CZ 3.39Å; F921-P923 HydrophobicContact CD2-CB 4.28Å; F921-P923 HydrophobicContact CE2-CB 4.22Å; F921-P923 VanDerWaalsContact O-CD 3.24Å; F921-P923 WeakPolarHBondContact O-CD 3.44Å; F921-Q927 CarbonylContact C-O 2.88Å; F921-Q927 WeakPolarHBondContact CA-O 3.41Å; F921-Q927 WeakPolarHBondContact CB-O 3.43Å |
| 922 | S | 74 | Confident | 73.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -79.9 | 111.1 | 159.2 | 174.7 | 0 | 0 | 0 | 0 | 107.9 | S904 I906 A924 N925 T926 Q927 | S904-S922 PolarHBondContact O-OG 3.17Å; I906-S922 WeakPolarHBondContact O-CA 3.47Å; I906-S922 WeakPolarHBondContact O-CB 3.29Å; I906-S922 PolarHBondContact O-OG 2.87Å; S922-A924 PolarHBondContact O-N 3.11Å; S922-A924 PolarHBondContact OG-N 2.69Å; S922-N925 PolarHBondContact O-N 2.79Å; S922-N925 PolarHBondContact OG-N 3.3Å; S922-T926 CarbonylContact O-C 3.57Å; S922-T926 VanDerWaalsContact O-CA 3.23Å; S922-T926 WeakPolarHBondContact O-CA 3.43Å; S922-T926 PolarHBondContact O-N 3.42Å; S922-Q927 PolarHBondContact N-O 2.75Å; S922-Q927 PolarHBondContact O-N 2.84Å | ||
| 923 | P | 66.9 | Low | 73.3 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -23.8 | 175 | 27.9 | -38.8 | 0 | 0 | 0 | 112.4 | I835 I873 L875 I906 I908 F921 | I835-P923 HydrophobicContact CD1-CB 4.11Å; I835-P923 HydrophobicContact CD1-CG 4.26Å; I873-P923 HydrophobicContact CD1-CB 4.01Å; L875-P923 HydrophobicContact CD1-CB 3.74Å; I906-P923 HydrophobicContact CB-CG 4.01Å; I906-P923 HydrophobicContact CG2-CG 3.49Å; I906-P923 VanDerWaalsContact CG2-CG 3.49Å; I906-P923 WeakPolarHBondContact O-CD 3.44Å; I908-P923 HydrophobicContact CD1-CB 4.35Å; I908-P923 HydrophobicContact CD1-CG 3.74Å; I908-P923 HydrophobicContact CG1-CG 3.94Å; F921-P923 HydrophobicContact CD2-CB 4.28Å; F921-P923 HydrophobicContact CE2-CB 4.22Å; F921-P923 VanDerWaalsContact O-CD 3.24Å; F921-P923 WeakPolarHBondContact O-CD 3.44Å |
| 924 | A | 62.6 | Low | 73.6 | Confident | 38 Ų | 38 | 39.5 Ų | 39.5 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -43.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I903 S922 | I903-A924 HydrophobicContact CB-CB 4.25Å; I903-A924 HydrophobicContact CG2-CB 4.04Å; I903-A924 WeakPolarHBondContact O-CB 3.17Å; S922-A924 PolarHBondContact O-N 3.11Å; S922-A924 PolarHBondContact OG-N 2.69Å |
| 925 | N | 60.2 | Low | 74.1 | Confident | 77 Ų | 77 | 36.9 Ų | 36.9 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -10.4 | 175.1 | -64.2 | 13.9 | 0 | 0 | 0 | 112.6 | S922 Q927 | S922-N925 PolarHBondContact O-N 2.79Å; S922-N925 PolarHBondContact OG-N 3.3Å; N925-Q927 HydrophobicContact CB-CB 3.98Å; N925-Q927 HydrophobicContact CB-CG 3.95Å; N925-Q927 PolarHBondContact ND2-OE1 2.8Å; N925-Q927 PolarHBondContact O-N 3.28Å |
| 926 | T | 65.2 | Low | 73.8 | Confident | 110 Ų | 110 | 40.2 Ų | 40.2 | 68% | 0.675 | 21% | 0.21 | S | C | * | . | trans | 53.9 | 5.1 | -160.8 | 65.1 | 0 | 0 | 0 | 0 | 115.6 | S922 | S922-T926 CarbonylContact O-C 3.57Å; S922-T926 VanDerWaalsContact O-CA 3.23Å; S922-T926 WeakPolarHBondContact O-CA 3.43Å; S922-T926 PolarHBondContact O-N 3.42Å | ||
| 927 | Q | 62.8 | Low | 73.6 | Confident | 110 Ų | 110 | 45 Ų | 45 | 51% | 0.514 | 24% | 0.236 | S | C | . | . | trans | -78.7 | 126.5 | -177.3 | -74.7 | 172 | -26.2 | 0 | 0 | 111.4 | F921 S922 N925 L929 | F921-Q927 CarbonylContact C-O 2.88Å; F921-Q927 WeakPolarHBondContact CA-O 3.41Å; F921-Q927 WeakPolarHBondContact CB-O 3.43Å; S922-Q927 PolarHBondContact N-O 2.75Å; S922-Q927 PolarHBondContact O-N 2.84Å; N925-Q927 HydrophobicContact CB-CB 3.98Å; N925-Q927 HydrophobicContact CB-CG 3.95Å; N925-Q927 PolarHBondContact ND2-OE1 2.8Å; N925-Q927 PolarHBondContact O-N 3.28Å; Q927-L929 PolarHBondContact O-N 2.79Å | ||
| 928 | M | 72.9 | Confident | 73 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 116.5 | 159.2 | -160.6 | -172.6 | -37.8 | 0 | 0 | 108.3 | R919 V920 E931 | R919-M928 HydrophobicContact CB-CG 4.08Å; R919-M928 HydrophobicContact CB-SD 3.88Å; R919-M928 VanDerWaalsContact CD-SD 3.56Å; R919-M928 HydrophobicContact CG-CE 4.3Å; R919-M928 HydrophobicContact CG-CG 4.47Å; R919-M928 HydrophobicContact CG-SD 3.6Å; V920-M928 CarbonylContact O-C 3.48Å; V920-M928 WeakPolarHBondContact O-CA 3.25Å; M928-E931 HydrophobicContact SD-CB 3.8Å; M928-E931 HydrophobicContact SD-CG 4.26Å |
| 929 | L | 74.9 | Confident | 72.6 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -39.9 | -178 | -62.6 | 175.4 | 0 | 0 | 0 | 111.1 | Q907 V920 Q927 Y975 | Q907-L929 HydrophobicContact CB-CD1 4.28Å; Q907-L929 HydrophobicContact CG-CD1 3.69Å; V920-L929 HydrophobicContact CG1-CD1 4.31Å; V920-L929 PolarHBondContact O-N 2.86Å; Q927-L929 PolarHBondContact O-N 2.79Å; L929-Y975 HydrophobicContact CD2-CD2 4.24Å |
| 930 | Y | 75.2 | Confident | 72.3 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 149.9 | 175 | 43.9 | -94.5 | 0 | 0 | 0 | 111.1 | V920 L932 I966 | V920-Y930 HydrophobicContact CB-CD2 3.97Å; V920-Y930 HydrophobicContact CB-CE1 4.29Å; V920-Y930 HydrophobicContact CB-CE2 3.5Å; V920-Y930 VanDerWaalsContact CB-CE2 3.5Å; V920-Y930 HydrophobicContact CG1-CE1 4.31Å; V920-Y930 HydrophobicContact CG1-CE2 4.22Å; V920-Y930 HydrophobicContact CG2-CD2 4.02Å; V920-Y930 HydrophobicContact CG2-CE2 3.26Å; V920-Y930 PolarHBondContact N-O 3.18Å; V920-Y930 VanDerWaalsContact N-O 3.08Å; Y930-L932 HydrophobicContact CD2-CD1 4.11Å; Y930-L932 HydrophobicContact CD2-CD2 3.59Å; Y930-L932 HydrophobicContact CD2-CG 3.81Å; Y930-L932 HydrophobicContact CE2-CD1 4.04Å; Y930-L932 HydrophobicContact CE2-CD2 4.24Å; Y930-L932 HydrophobicContact CE2-CG 4.27Å; Y930-L932 HydrophobicContact CG-CD2 4.45Å; Y930-I966 HydrophobicContact CE1-CG2 4.33Å; Y930-I966 WeakPolarHBondContact OH-CD1 3.2Å; Y930-I966 WeakPolarHBondContact OH-CG1 3.31Å |
| 931 | E | 80.6 | Confident | 71.9 | Confident | 95 Ų | 95 | 49.7 Ų | 49.7 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.7 | 179.6 | -176.8 | 166.4 | -124 | 0 | 0 | 109.2 | L917 R919 M928 N933 | L917-E931 HydrophobicContact CD1-CG 4.47Å; L917-E931 WeakPolarHBondContact CD1-OE1 3.46Å; L917-E931 HydrophobicContact CD2-CG 3.86Å; R919-E931 HydrophobicContact CG-CG 4.19Å; R919-E931 IonicContact CZ-OE1 3.68Å; R919-E931 IonicContact NE-OE1 3.21Å; R919-E931 PolarHBondContact NE-OE1 3.34Å; R919-E931 IonicContact NH2-OE1 3.16Å; R919-E931 PolarHBondContact NH2-OE1 2.99Å; M928-E931 HydrophobicContact SD-CB 3.8Å; M928-E931 HydrophobicContact SD-CG 4.26Å; E931-N933 PolarHBondContact O-N 2.91Å |
| 932 | L | 79.1 | Confident | 71.8 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 79.8 | -170.9 | -55.4 | -177.8 | 0 | 0 | 0 | 110.7 | V918 Y930 F934 L952 W964 S977 | V918-L932 HydrophobicContact CB-CB 4.07Å; V918-L932 HydrophobicContact CB-CD1 4.32Å; V918-L932 HydrophobicContact CG1-CD1 3.98Å; V918-L932 PolarHBondContact N-O 3.47Å; V918-L932 VanDerWaalsContact O-CB 3.28Å; V918-L932 WeakPolarHBondContact O-CB 3.48Å; V918-L932 WeakPolarHBondContact O-CG 3.34Å; V918-L932 PolarHBondContact O-N 3.29Å; Y930-L932 HydrophobicContact CD2-CD1 4.11Å; Y930-L932 HydrophobicContact CD2-CD2 3.59Å; Y930-L932 HydrophobicContact CD2-CG 3.81Å; Y930-L932 HydrophobicContact CE2-CD1 4.04Å; Y930-L932 HydrophobicContact CE2-CD2 4.24Å; Y930-L932 HydrophobicContact CE2-CG 4.27Å; Y930-L932 HydrophobicContact CG-CD2 4.45Å; L932-F934 PolarHBondContact O-N 2.64Å; L932-L952 HydrophobicContact CD1-CD2 3.82Å; L932-W964 HydrophobicContact CB-CH2 3.86Å; L932-W964 HydrophobicContact CB-CZ2 3.69Å; L932-W964 HydrophobicContact CB-CZ3 4.44Å; L932-W964 HydrophobicContact CD1-CD2 3.78Å; L932-W964 HydrophobicContact CD1-CE3 4.27Å; L932-W964 HydrophobicContact CD1-CG 3.9Å; L932-W964 HydrophobicContact CD1-CZ2 4.24Å; L932-W964 HydrophobicContact CD2-CD2 4.18Å; L932-W964 HydrophobicContact CD2-CE3 3.81Å; L932-W964 HydrophobicContact CD2-CH2 4.02Å; L932-W964 HydrophobicContact CD2-CZ2 4.4Å; L932-W964 HydrophobicContact CD2-CZ3 3.73Å; L932-W964 HydrophobicContact CG-CD2 4.42Å; L932-W964 HydrophobicContact CG-CH2 4.39Å; L932-W964 HydrophobicContact CG-CZ2 4.33Å; L932-S977 VanDerWaalsContact CD2-OG 3.28Å; L932-S977 WeakPolarHBondContact CD2-OG 3.45Å |
| 933 | N | 78.9 | Confident | 72.1 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 58.5 | 177.7 | -161.4 | 7.4 | 0 | 0 | 0 | 113.1 | L917 E931 N936 | L917-N933 HydrophobicContact CD2-CB 3.38Å; L917-N933 VanDerWaalsContact CD2-CG 3.41Å; E931-N933 PolarHBondContact O-N 2.91Å; N933-N936 PolarHBondContact O-ND2 3.49Å; N933-N936 PolarHBondContact OD1-OD1 2.9Å |
| 934 | F | 75.5 | Confident | 72.8 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 18% | 0.18 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -45.8 | 172.5 | 177.9 | -103.8 | 0 | 0 | 0 | 112.2 | L932 N936 Q960 A962 W964 L979 | L932-F934 PolarHBondContact O-N 2.64Å; F934-N936 PolarHBondContact O-N 3.38Å; F934-N936 VanDerWaalsContact O-N 3.16Å; F934-N936 PolarHBondContact O-ND2 2.78Å; F934-Q960 HydrophobicContact CE1-CB 4.18Å; F934-Q960 HydrophobicContact CE1-CG 4.3Å; F934-A962 HydrophobicContact CD1-CB 3.73Å; F934-A962 HydrophobicContact CE1-CB 4.07Å; F934-A962 HydrophobicContact CG-CB 4.41Å; F934-W964 HydrophobicContact CB-CH2 3.62Å; F934-W964 HydrophobicContact CB-CZ2 3.39Å; F934-W964 HydrophobicContact CG-CZ2 4.25Å; F934-L979 HydrophobicContact CD2-CD2 3.58Å; F934-L979 HydrophobicContact CE2-CD2 3.76Å; F934-L979 HydrophobicContact CG-CD2 4.37Å |
| 935 | H | 77.3 | Confident | 73.8 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -68.6 | -15.7 | -173.8 | -62 | -69.6 | 0 | 0 | 0 | 112.9 | G916 Y938 T954 D956 | G916-H935 WeakPolarHBondContact O-CB 3.4Å; H935-Y938 VanDerWaalsContact O-CB 3.27Å; H935-Y938 WeakPolarHBondContact O-CB 3.44Å; H935-Y938 WeakPolarHBondContact O-CD2 3.22Å; H935-Y938 PolarHBondContact O-N 3.33Å; H935-T954 WeakPolarHBondContact NE2-CB 3.49Å; H935-T954 PolarHBondContact NE2-OG1 3.01Å; H935-D956 HydrophobicContact CB-CB 4.11Å; H935-D956 WeakPolarHBondContact CB-OD2 3.19Å; H935-D956 IonicContact CE1-OD2 3.16Å; H935-D956 IonicContact CG-OD2 2.71Å; H935-D956 WeakPolarHBondContact ND1-CB 3.38Å; H935-D956 VanDerWaalsContact ND1-CG 3.31Å; H935-D956 IonicContact ND1-OD2 2.73Å; H935-D956 PolarHBondContact ND1-OD2 2.97Å |
| 936 | N | 69.4 | Low | 74.6 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 40.1 | 82.5 | 170.3 | -75.5 | -80.8 | 0 | 0 | 0 | 112.7 | N933 F934 Y938 | N933-N936 PolarHBondContact O-ND2 3.49Å; N933-N936 PolarHBondContact OD1-OD1 2.9Å; F934-N936 PolarHBondContact O-N 3.38Å; F934-N936 VanDerWaalsContact O-N 3.16Å; F934-N936 PolarHBondContact O-ND2 2.78Å; N936-Y938 WeakPolarHBondContact O-CD2 3.1Å; N936-Y938 PolarHBondContact O-N 2.84Å |
| 937 | D | 68.2 | Low | 74.8 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 2.6 | -172 | -33 | -35.1 | 0 | 0 | 0 | 114.5 | K640 T915 | K640-D937 WeakPolarHBondContact CB-O 3.42Å; K640-D937 WeakPolarHBondContact CD-O 3.45Å; K640-D937 WeakPolarHBondContact CE-O 3.36Å; K640-D937 WeakPolarHBondContact CG-O 3.36Å; K640-D937 VanDerWaalsContact NZ-C 3.29Å; K640-D937 PolarHBondContact NZ-O 2.91Å; T915-D937 WeakPolarHBondContact O-CA 3.13Å; T915-D937 PolarHBondContact O-N 2.81Å |
| 938 | Y | 70 | Confident | 75.1 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | trans | -97.4 | 145.7 | -177.6 | -77.2 | -88.8 | 0 | 0 | 0 | 116.1 | K640 G916 H935 N936 V940 D956 | K640-Y938 HydrophobicContact CD-CD1 3.78Å; K640-Y938 HydrophobicContact CD-CE1 4.16Å; K640-Y938 HydrophobicContact CD-CG 4.3Å; K640-Y938 VanDerWaalsContact NZ-CD1 3.29Å; K640-Y938 VanDerWaalsContact NZ-CD2 3.28Å; K640-Y938 VanDerWaalsContact NZ-CE1 3.35Å; K640-Y938 VanDerWaalsContact NZ-CE2 3.33Å; K640-Y938 VanDerWaalsContact NZ-CG 3.28Å; G916-Y938 WeakPolarHBondContact CA-O 3.4Å; H935-Y938 VanDerWaalsContact O-CB 3.27Å; H935-Y938 WeakPolarHBondContact O-CB 3.44Å; H935-Y938 WeakPolarHBondContact O-CD2 3.22Å; H935-Y938 PolarHBondContact O-N 3.33Å; N936-Y938 WeakPolarHBondContact O-CD2 3.1Å; N936-Y938 PolarHBondContact O-N 2.84Å; Y938-V940 PolarHBondContact O-N 3.15Å; Y938-V940 VanDerWaalsContact O-N 3.1Å; Y938-D956 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 939 | D | 73.6 | Confident | 75.2 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | trans | -68.7 | 100.3 | -152.3 | -71.8 | 77 | 0 | 0 | 0 | 114 | K640 S641 T941 D956 S957 | K640-D939 VanDerWaalsContact C-CG 3.5Å; K640-D939 VanDerWaalsContact CA-OD2 3.25Å; K640-D939 WeakPolarHBondContact CA-OD2 3.5Å; K640-D939 HydrophobicContact CB-CB 3.78Å; K640-D939 WeakPolarHBondContact CB-OD1 3.44Å; K640-D939 VanDerWaalsContact CD-OD1 3.22Å; K640-D939 WeakPolarHBondContact CD-OD1 3.46Å; K640-D939 WeakPolarHBondContact CG-OD1 3.5Å; S641-D939 VanDerWaalsContact CB-CB 3.46Å; S641-D939 WeakPolarHBondContact CB-OD2 3.19Å; S641-D939 PolarHBondContact N-OD2 2.76Å; S641-D939 WeakPolarHBondContact OG-CB 3.49Å; S641-D939 PolarHBondContact OG-O 3.47Å; D939-T941 WeakPolarHBondContact O-CG2 3.46Å; D939-T941 PolarHBondContact O-N 2.89Å; D939-D956 CarbonylContact O-C 3.48Å; D939-D956 WeakPolarHBondContact O-CA 3.33Å; D939-S957 WeakPolarHBondContact CB-OG 3.33Å; D939-S957 VanDerWaalsContact CG-CB 3.48Å; D939-S957 PolarHBondContact N-OG 3.47Å; D939-S957 VanDerWaalsContact N-OG 3.13Å; D939-S957 PolarHBondContact O-N 3.13Å; D939-S957 WeakPolarHBondContact OD1-CB 3.48Å; D939-S957 PolarHBondContact OD1-OG 2.84Å | ||
| 940 | V | 75.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -58.3 | 104.7 | -177.4 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | S641 T642 G916 V918 Y938 L943 S955 | S641-V940 CarbonylContact C-O 3.59Å; S641-V940 CarbonylContact O-C 3.58Å; S641-V940 WeakPolarHBondContact O-CA 3.14Å; S641-V940 PolarHBondContact O-N 2.9Å; S641-V940 PolarHBondContact OG-O 2.84Å; S641-V940 VanDerWaalsContact OG-O 3.12Å; T642-V940 WeakPolarHBondContact CA-O 3.44Å; T642-V940 VanDerWaalsContact CB-O 3.24Å; T642-V940 WeakPolarHBondContact CB-O 3.41Å; T642-V940 PolarHBondContact N-O 3.23Å; T642-V940 PolarHBondContact OG1-O 3.3Å; G916-V940 VanDerWaalsContact O-CG2 3.23Å; G916-V940 WeakPolarHBondContact O-CG2 3.11Å; V918-V940 HydrophobicContact CG2-CG1 3.72Å; V918-V940 HydrophobicContact CG2-CG2 4.06Å; Y938-V940 PolarHBondContact O-N 3.15Å; Y938-V940 VanDerWaalsContact O-N 3.1Å; V940-L943 HydrophobicContact CG1-CG 4.39Å; V940-S955 CarbonylContact C-O 3.5Å; V940-S955 VanDerWaalsContact CA-O 3.28Å; V940-S955 WeakPolarHBondContact CA-O 3Å | ||
| 941 | T | 72.1 | Confident | 75.5 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | trans | -91.2 | -20.5 | -168.4 | 43.2 | 0 | 0 | 0 | 0 | 113.2 | D939 S955 D956 S1014 | D939-T941 WeakPolarHBondContact O-CG2 3.46Å; D939-T941 PolarHBondContact O-N 2.89Å; T941-S955 PolarHBondContact N-O 2.8Å; T941-S955 VanDerWaalsContact OG1-C 3.29Å; T941-S955 PolarHBondContact OG1-O 3.12Å; T941-S955 PolarHBondContact OG1-OG 3.14Å; T941-D956 PolarHBondContact OG1-N 2.97Å; T941-S1014 WeakPolarHBondContact CB-OG 3.25Å; T941-S1014 WeakPolarHBondContact O-CB 3.37Å; T941-S1014 PolarHBondContact O-OG 3.15Å | ||
| 942 | A | 72.3 | Confident | 75.7 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 162.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S955 S1014 I1016 | A942-S955 PolarHBondContact N-OG 3.4Å; A942-S1014 VanDerWaalsContact CB-OG 3.3Å; A942-S1014 WeakPolarHBondContact CB-OG 3.49Å; A942-I1016 HydrophobicContact CB-CG2 3.45Å; A942-I1016 VanDerWaalsContact CB-CG2 3.45Å |
| 943 | L | 80.5 | Confident | 75.8 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.6 | 174.1 | -85.2 | 178.6 | 0 | 0 | 0 | 111.2 | C884 A886 A909 C910 V918 V940 L952 T954 | C884-L943 HydrophobicContact CB-CB 4.27Å; A886-L943 HydrophobicContact CB-CB 4.36Å; A909-L943 VanDerWaalsContact C-CD1 3.45Å; A909-L943 HydrophobicContact CB-CD1 3.98Å; A909-L943 HydrophobicContact CB-CD2 4.44Å; C910-L943 VanDerWaalsContact N-CD1 3.28Å; V918-L943 HydrophobicContact CB-CD2 4.34Å; V918-L943 HydrophobicContact CG1-CD1 4.19Å; V918-L943 HydrophobicContact CG1-CD2 3.64Å; V918-L943 HydrophobicContact CG2-CD1 4.4Å; V918-L943 HydrophobicContact CG2-CD2 3.72Å; V918-L943 HydrophobicContact CG2-CG 4.35Å; V940-L943 HydrophobicContact CG1-CG 4.39Å; L943-L952 HydrophobicContact CD2-CD1 4.18Å; L943-T954 HydrophobicContact CD2-CG2 3.63Å |
| 944 | L | 82.4 | Confident | 76 | Confident | 52 Ų | 52 | 33.8 Ų | 33.8 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 136.5 | 170.4 | -72.5 | -179.9 | 0 | 0 | 0 | 111.9 | Y953 I1016 V1018 | L944-Y953 PolarHBondContact N-O 3.14Å; L944-Y953 WeakPolarHBondContact O-CD2 3.5Å; L944-Y953 PolarHBondContact O-N 2.81Å; L944-I1016 HydrophobicContact CD1-CG1 4.48Å; L944-I1016 HydrophobicContact CD1-CG2 3.93Å; L944-I1016 WeakPolarHBondContact CD1-O 3.45Å; L944-I1016 HydrophobicContact CG-CG2 4.26Å; L944-V1018 HydrophobicContact CB-CG2 4.25Å; L944-V1018 HydrophobicContact CD1-CG2 4.07Å |
| 945 | Y | 82.6 | Confident | 76.1 | Confident | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.071 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 154.3 | 162.3 | -79.7 | -80.2 | 0 | 0 | 0 | 111.7 | A886 Q888 A909 V920 L952 I966 | A886-Y945 HydrophobicContact CB-CD2 4.05Å; A886-Y945 HydrophobicContact CB-CE2 4.48Å; A886-Y945 WeakPolarHBondContact O-CE2 3.42Å; Q888-Y945 HydrophobicContact CB-CD1 4.16Å; Q888-Y945 HydrophobicContact CB-CD2 4.05Å; Q888-Y945 HydrophobicContact CB-CE1 3.81Å; Q888-Y945 HydrophobicContact CB-CE2 3.71Å; Q888-Y945 HydrophobicContact CB-CG 4.25Å; Q888-Y945 VanDerWaalsContact CD-CE1 3.41Å; Q888-Y945 HydrophobicContact CG-CD1 3.69Å; Q888-Y945 HydrophobicContact CG-CD2 4.48Å; Q888-Y945 HydrophobicContact CG-CE1 3.44Å; Q888-Y945 VanDerWaalsContact CG-CE1 3.44Å; Q888-Y945 HydrophobicContact CG-CE2 4.28Å; Q888-Y945 HydrophobicContact CG-CG 4.19Å; Q888-Y945 PolarHBondContact OE1-OH 2.85Å; A909-Y945 HydrophobicContact CB-CD2 4.34Å; A909-Y945 HydrophobicContact CB-CE2 3.43Å; A909-Y945 VanDerWaalsContact CB-CE2 3.43Å; V920-Y945 WeakPolarHBondContact CG1-OH 3.24Å; Y945-L952 HydrophobicContact CD1-CB 4.36Å; Y945-L952 HydrophobicContact CD1-CD1 3.97Å; Y945-L952 HydrophobicContact CD2-CD1 4.08Å; Y945-L952 HydrophobicContact CE1-CB 4.27Å; Y945-L952 HydrophobicContact CE1-CD1 3.93Å; Y945-L952 HydrophobicContact CE2-CD1 4.02Å; Y945-L952 HydrophobicContact CG-CD1 4.06Å; Y945-I966 HydrophobicContact CD1-CD1 4.25Å; Y945-I966 HydrophobicContact CE1-CD1 3.67Å |
| 946 | S | 77.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | trans | -67.8 | 150.7 | 158.3 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | C948 G949 Y951 | S946-C948 PolarHBondContact O-N 2.62Å; S946-C948 PolarHBondContact OG-SG 3.17Å; S946-G949 PolarHBondContact O-N 2.89Å; S946-Y951 PolarHBondContact N-O 3.3Å; S946-Y951 PolarHBondContact OG-N 3.39Å; S946-Y951 VanDerWaalsContact OG-N 3.11Å; S946-Y951 PolarHBondContact OG-O 2.95Å | ||
| 947 | P | 69.7 | Low | 76.1 | Confident | 66 Ų | 66 | 28.4 Ų | 28.4 | 43% | 0.429 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.7 | 177.9 | -29 | 38.3 | 0 | 0 | 0 | 115.5 | P889 S1019 S1020 | P889-P947 WeakPolarHBondContact CG-O 3.31Å; P947-S1019 WeakPolarHBondContact CG-O 3.44Å; P947-S1020 WeakPolarHBondContact CB-O 3.5Å; P947-S1020 WeakPolarHBondContact CG-O 3.3Å |
| 948 | C | 69.6 | Low | 76 | Confident | 51 Ų | 51 | 24.1 Ų | 24.1 | 35% | 0.345 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -0.6 | 174.3 | 61 | 0 | 0 | 0 | 0 | 114.6 | S946 N950 | S946-C948 PolarHBondContact O-N 2.62Å; S946-C948 PolarHBondContact OG-SG 3.17Å; C948-N950 PolarHBondContact O-N 3.1Å; C948-N950 PolarHBondContact O-OD1 3.42Å |
| 949 | G | 74.3 | Confident | 75.9 | Confident | 2 Ų | 2 | 19.4 Ų | 19.4 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 74.5 | -19.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S946 Y951 I966 | S946-G949 PolarHBondContact O-N 2.89Å; G949-Y951 VanDerWaalsContact C-N 3.33Å; G949-Y951 PolarHBondContact O-N 3.15Å; G949-I966 WeakPolarHBondContact O-CD1 3.19Å |
| 950 | N | 78.2 | Confident | 75.8 | Confident | 85 Ų | 85 | 19.5 Ų | 19.5 | 46% | 0.455 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -74.6 | -12.8 | -172 | -65.4 | -9.9 | 0 | 0 | 0 | 115.7 | C948 I966 | C948-N950 PolarHBondContact O-N 3.1Å; C948-N950 PolarHBondContact O-OD1 3.42Å; N950-I966 PolarHBondContact O-N 2.97Å |
| 951 | Y | 79.6 | Confident | 75.9 | Confident | 56 Ų | 56 | 19.6 Ų | 19.6 | 22% | 0.22 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.4 | 179.4 | -56.3 | -77 | 0 | 0 | 0 | 111.2 | S946 G949 W964 K965 I980 V1041 | S946-Y951 PolarHBondContact N-O 3.3Å; S946-Y951 PolarHBondContact OG-N 3.39Å; S946-Y951 VanDerWaalsContact OG-N 3.11Å; S946-Y951 PolarHBondContact OG-O 2.95Å; G949-Y951 VanDerWaalsContact C-N 3.33Å; G949-Y951 PolarHBondContact O-N 3.15Å; Y951-W964 VanDerWaalsContact CA-O 3.3Å; Y951-W964 WeakPolarHBondContact CA-O 3.35Å; Y951-K965 HydrophobicContact CE1-CB 4.44Å; Y951-K965 HydrophobicContact CE1-CG 4.13Å; Y951-I980 HydrophobicContact CD1-CD1 3.77Å; Y951-I980 HydrophobicContact CE1-CD1 3.59Å; Y951-V1041 HydrophobicContact CE1-CG1 4.12Å; Y951-V1041 HydrophobicContact CE1-CG2 4.35Å; Y951-V1041 HydrophobicContact CE2-CG2 3.95Å |
| 952 | L | 84.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.8 | 176.2 | -178.9 | 64.5 | 0 | 0 | 0 | 109.6 | A909 V918 V920 L932 L943 Y945 T954 W964 I966 | A909-L952 HydrophobicContact CB-CD1 3.72Å; A909-L952 HydrophobicContact CB-CD2 4.09Å; V918-L952 HydrophobicContact CG1-CD2 3.91Å; V920-L952 HydrophobicContact CG2-CD2 3.65Å; L932-L952 HydrophobicContact CD1-CD2 3.82Å; L943-L952 HydrophobicContact CD2-CD1 4.18Å; Y945-L952 HydrophobicContact CD1-CB 4.36Å; Y945-L952 HydrophobicContact CD1-CD1 3.97Å; Y945-L952 HydrophobicContact CD2-CD1 4.08Å; Y945-L952 HydrophobicContact CE1-CB 4.27Å; Y945-L952 HydrophobicContact CE1-CD1 3.93Å; Y945-L952 HydrophobicContact CE2-CD1 4.02Å; Y945-L952 HydrophobicContact CG-CD1 4.06Å; L952-T954 HydrophobicContact CD2-CG2 4.42Å; L952-T954 HydrophobicContact CG-CG2 4.12Å; L952-W964 HydrophobicContact CB-CB 4.3Å; L952-W964 PolarHBondContact N-O 2.86Å; L952-W964 VanDerWaalsContact N-O 3.16Å; L952-W964 PolarHBondContact O-N 3.08Å; L952-I966 HydrophobicContact CB-CD1 4.17Å |
| 953 | Y | 80.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.8 | -178.7 | -60.5 | -76.6 | 0 | 0 | 0 | 110.2 | L944 V963 V1018 I1025 G1040 | L944-Y953 PolarHBondContact N-O 3.14Å; L944-Y953 WeakPolarHBondContact O-CD2 3.5Å; L944-Y953 PolarHBondContact O-N 2.81Å; Y953-V963 HydrophobicContact CD1-CG1 4.14Å; Y953-V963 HydrophobicContact CD1-CG2 3.99Å; Y953-V963 HydrophobicContact CE1-CB 4.46Å; Y953-V963 HydrophobicContact CE1-CG1 3.73Å; Y953-V963 HydrophobicContact CE1-CG2 4.02Å; Y953-V1018 HydrophobicContact CD2-CG2 3.5Å; Y953-V1018 HydrophobicContact CE2-CB 4.45Å; Y953-V1018 HydrophobicContact CE2-CG1 3.98Å; Y953-V1018 HydrophobicContact CE2-CG2 3.55Å; Y953-V1018 HydrophobicContact CG-CG2 4.36Å; Y953-I1025 HydrophobicContact CD1-CD1 3.4Å; Y953-I1025 HydrophobicContact CD2-CD1 4.22Å; Y953-I1025 HydrophobicContact CE1-CD1 3.74Å; Y953-I1025 HydrophobicContact CG-CD1 3.64Å; Y953-G1040 WeakPolarHBondContact CE1-O 3.16Å; Y953-G1040 WeakPolarHBondContact OH-CA 3.36Å; Y953-G1040 PolarHBondContact OH-O 2.99Å |
| 954 | T | 83.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131.1 | -174 | 71.4 | 0 | 0 | 0 | 0 | 110.1 | V918 H935 L943 L952 A962 W964 | V918-T954 HydrophobicContact CB-CG2 4.14Å; V918-T954 HydrophobicContact CG1-CG2 4Å; V918-T954 HydrophobicContact CG2-CG2 3.77Å; H935-T954 WeakPolarHBondContact NE2-CB 3.49Å; H935-T954 PolarHBondContact NE2-OG1 3.01Å; L943-T954 HydrophobicContact CD2-CG2 3.63Å; L952-T954 HydrophobicContact CD2-CG2 4.42Å; L952-T954 HydrophobicContact CG-CG2 4.12Å; T954-A962 PolarHBondContact N-O 2.83Å; T954-A962 VanDerWaalsContact N-O 3.15Å; T954-A962 PolarHBondContact O-N 2.85Å; T954-W964 PolarHBondContact OG1-NE1 3.26Å |
| 955 | S | 77.7 | Confident | 76.1 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.3 | -179.1 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | V940 T941 A942 Q960 I987 | V940-S955 CarbonylContact C-O 3.5Å; V940-S955 VanDerWaalsContact CA-O 3.28Å; V940-S955 WeakPolarHBondContact CA-O 3Å; T941-S955 PolarHBondContact N-O 2.8Å; T941-S955 VanDerWaalsContact OG1-C 3.29Å; T941-S955 PolarHBondContact OG1-O 3.12Å; T941-S955 PolarHBondContact OG1-OG 3.14Å; A942-S955 PolarHBondContact N-OG 3.4Å; S955-Q960 CarbonylContact C-O 3.44Å; S955-Q960 VanDerWaalsContact CA-O 3.31Å; S955-Q960 WeakPolarHBondContact CA-O 3.09Å; S955-I987 VanDerWaalsContact CB-CD1 3.44Å |
| 956 | D | 75.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -133 | -179.3 | -179.5 | 76.9 | 22.4 | 0 | 0 | 0 | 117 | H935 Y938 D939 T941 S958 G959 Q960 | H935-D956 HydrophobicContact CB-CB 4.11Å; H935-D956 WeakPolarHBondContact CB-OD2 3.19Å; H935-D956 IonicContact CE1-OD2 3.16Å; H935-D956 IonicContact CG-OD2 2.71Å; H935-D956 WeakPolarHBondContact ND1-CB 3.38Å; H935-D956 VanDerWaalsContact ND1-CG 3.31Å; H935-D956 IonicContact ND1-OD2 2.73Å; H935-D956 PolarHBondContact ND1-OD2 2.97Å; Y938-D956 WeakPolarHBondContact CB-OD2 3.47Å; D939-D956 CarbonylContact O-C 3.48Å; D939-D956 WeakPolarHBondContact O-CA 3.33Å; T941-D956 PolarHBondContact OG1-N 2.97Å; D956-S958 VanDerWaalsContact OD1-CA 3.3Å; D956-S958 WeakPolarHBondContact OD1-CA 3.24Å; D956-S958 WeakPolarHBondContact OD1-CB 3.28Å; D956-S958 PolarHBondContact OD1-N 3.39Å; D956-S958 PolarHBondContact OD1-OG 2.83Å; D956-S958 PolarHBondContact OD2-OG 3.5Å; D956-S958 VanDerWaalsContact OD2-OG 3.1Å; D956-G959 PolarHBondContact O-N 3.24Å; D956-G959 PolarHBondContact OD1-N 3.06Å; D956-Q960 PolarHBondContact N-O 2.85Å; D956-Q960 PolarHBondContact OD1-N 2.89Å; D956-Q960 WeakPolarHBondContact OD2-CB 3.49Å; D956-Q960 PolarHBondContact OD2-NE2 2.97Å | ||
| 957 | S | 71 | Confident | 75.2 | Confident | 10 Ų | 10 | 23 Ų | 23 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -8.2 | 172.5 | 59.5 | 0 | 0 | 0 | 0 | 116.3 | D939 G959 I989 | D939-S957 WeakPolarHBondContact CB-OG 3.33Å; D939-S957 VanDerWaalsContact CG-CB 3.48Å; D939-S957 PolarHBondContact N-OG 3.47Å; D939-S957 VanDerWaalsContact N-OG 3.13Å; D939-S957 PolarHBondContact O-N 3.13Å; D939-S957 WeakPolarHBondContact OD1-CB 3.48Å; D939-S957 PolarHBondContact OD1-OG 2.84Å; S957-G959 PolarHBondContact O-N 2.77Å; S957-I989 WeakPolarHBondContact O-CD1 3.48Å; S957-I989 WeakPolarHBondContact O-CG1 3.49Å; S957-I989 VanDerWaalsContact O-CG2 3.28Å; S957-I989 WeakPolarHBondContact O-CG2 3.49Å |
| 958 | S | 65.6 | Low | 74.7 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 8% | 0.077 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.9 | 162.4 | 76.3 | 0 | 0 | 0 | 0 | 110.5 | D956 Q960 Y985 | D956-S958 VanDerWaalsContact OD1-CA 3.3Å; D956-S958 WeakPolarHBondContact OD1-CA 3.24Å; D956-S958 WeakPolarHBondContact OD1-CB 3.28Å; D956-S958 PolarHBondContact OD1-N 3.39Å; D956-S958 PolarHBondContact OD1-OG 2.83Å; D956-S958 PolarHBondContact OD2-OG 3.5Å; D956-S958 VanDerWaalsContact OD2-OG 3.1Å; S958-Q960 WeakPolarHBondContact OG-CG 3.42Å; S958-Q960 PolarHBondContact OG-N 2.96Å; S958-Q960 PolarHBondContact OG-NE2 2.93Å; S958-Y985 WeakPolarHBondContact O-CD1 3.3Å |
| 959 | G | 67.1 | Low | 73.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | 84 | 20.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D956 S957 Y985 Q986 I987 | D956-G959 PolarHBondContact O-N 3.24Å; D956-G959 PolarHBondContact OD1-N 3.06Å; S957-G959 PolarHBondContact O-N 2.77Å; G959-Y985 CarbonylContact O-C 3.53Å; G959-Y985 PolarHBondContact O-N 3.31Å; G959-Q986 CarbonylContact O-C 3.48Å; G959-Q986 PolarHBondContact O-N 2.81Å; G959-I987 VanDerWaalsContact CA-O 3.25Å; G959-I987 WeakPolarHBondContact CA-O 3.18Å; G959-I987 PolarHBondContact O-N 3.14Å | ||
| 960 | Q | 72.3 | Confident | 72.9 | Confident | 23 Ų | 23 | 32 Ų | 32 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | -75.5 | 135.7 | 171.7 | -74.5 | 166.4 | 94.6 | 0 | 0 | 110.2 | F934 S955 D956 S958 L983 N984 | F934-Q960 HydrophobicContact CE1-CB 4.18Å; F934-Q960 HydrophobicContact CE1-CG 4.3Å; S955-Q960 CarbonylContact C-O 3.44Å; S955-Q960 VanDerWaalsContact CA-O 3.31Å; S955-Q960 WeakPolarHBondContact CA-O 3.09Å; D956-Q960 PolarHBondContact N-O 2.85Å; D956-Q960 PolarHBondContact OD1-N 2.89Å; D956-Q960 WeakPolarHBondContact OD2-CB 3.49Å; D956-Q960 PolarHBondContact OD2-NE2 2.97Å; S958-Q960 WeakPolarHBondContact OG-CG 3.42Å; S958-Q960 PolarHBondContact OG-N 2.96Å; S958-Q960 PolarHBondContact OG-NE2 2.93Å; Q960-L983 VanDerWaalsContact CA-O 3.31Å; Q960-L983 WeakPolarHBondContact CA-O 3.48Å; Q960-N984 HydrophobicContact CG-CB 4.05Å | ||
| 961 | L | 76.2 | Confident | 71.6 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.4 | 164 | 177.9 | 64.2 | 0 | 0 | 0 | 108.2 | S982 L983 I987 I1016 Y1027 | L961-S982 WeakPolarHBondContact O-CA 3.47Å; L961-L983 PolarHBondContact N-O 3.32Å; L961-L983 PolarHBondContact O-N 3.37Å; L961-I987 HydrophobicContact CB-CD1 3.81Å; L961-I987 HydrophobicContact CD1-CD1 4.05Å; L961-I987 HydrophobicContact CG-CD1 4.36Å; L961-I1016 HydrophobicContact CD1-CD1 3.81Å; L961-Y1027 HydrophobicContact CD2-CD1 3.86Å; L961-Y1027 HydrophobicContact CD2-CE1 3.63Å; L961-Y1027 HydrophobicContact CD2-CE2 4.32Å; L961-Y1027 HydrophobicContact CD2-CG 4.3Å |
| 962 | A | 79.2 | Confident | 70 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F934 T954 W964 L979 H981 | F934-A962 HydrophobicContact CD1-CB 3.73Å; F934-A962 HydrophobicContact CE1-CB 4.07Å; F934-A962 HydrophobicContact CG-CB 4.41Å; T954-A962 PolarHBondContact N-O 2.83Å; T954-A962 VanDerWaalsContact N-O 3.15Å; T954-A962 PolarHBondContact O-N 2.85Å; A962-W964 HydrophobicContact CB-CZ2 4.43Å; A962-L979 HydrophobicContact CB-CD1 3.85Å; A962-H981 WeakPolarHBondContact CA-O 3.02Å |
| 963 | V | 78.9 | Confident | 68.3 | Low | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | Y953 I980 H981 A1043 | Y953-V963 HydrophobicContact CD1-CG1 4.14Å; Y953-V963 HydrophobicContact CD1-CG2 3.99Å; Y953-V963 HydrophobicContact CE1-CB 4.46Å; Y953-V963 HydrophobicContact CE1-CG1 3.73Å; Y953-V963 HydrophobicContact CE1-CG2 4.02Å; V963-I980 HydrophobicContact CG1-CD1 4.19Å; V963-I980 PolarHBondContact O-N 2.88Å; V963-H981 PolarHBondContact N-O 3.19Å; V963-H981 PolarHBondContact O-N 3.29Å; V963-A1043 HydrophobicContact CG2-CB 4.14Å |
| 964 | W | 77.5 | Confident | 66.6 | Low | 18 Ų | 18 | 55.2 Ų | 55.2 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.5 | -174.3 | -56.9 | 90.3 | 0 | 0 | 0 | 110.7 | L932 F934 Y951 L952 T954 A962 L979 | L932-W964 HydrophobicContact CB-CH2 3.86Å; L932-W964 HydrophobicContact CB-CZ2 3.69Å; L932-W964 HydrophobicContact CB-CZ3 4.44Å; L932-W964 HydrophobicContact CD1-CD2 3.78Å; L932-W964 HydrophobicContact CD1-CE3 4.27Å; L932-W964 HydrophobicContact CD1-CG 3.9Å; L932-W964 HydrophobicContact CD1-CZ2 4.24Å; L932-W964 HydrophobicContact CD2-CD2 4.18Å; L932-W964 HydrophobicContact CD2-CE3 3.81Å; L932-W964 HydrophobicContact CD2-CH2 4.02Å; L932-W964 HydrophobicContact CD2-CZ2 4.4Å; L932-W964 HydrophobicContact CD2-CZ3 3.73Å; L932-W964 HydrophobicContact CG-CD2 4.42Å; L932-W964 HydrophobicContact CG-CH2 4.39Å; L932-W964 HydrophobicContact CG-CZ2 4.33Å; F934-W964 HydrophobicContact CB-CH2 3.62Å; F934-W964 HydrophobicContact CB-CZ2 3.39Å; F934-W964 HydrophobicContact CG-CZ2 4.25Å; Y951-W964 VanDerWaalsContact CA-O 3.3Å; Y951-W964 WeakPolarHBondContact CA-O 3.35Å; L952-W964 HydrophobicContact CB-CB 4.3Å; L952-W964 PolarHBondContact N-O 2.86Å; L952-W964 VanDerWaalsContact N-O 3.16Å; L952-W964 PolarHBondContact O-N 3.08Å; T954-W964 PolarHBondContact OG1-NE1 3.26Å; A962-W964 HydrophobicContact CB-CZ2 4.43Å; W964-L979 HydrophobicContact CD2-CD1 4.02Å; W964-L979 HydrophobicContact CE3-CB 3.87Å; W964-L979 HydrophobicContact CE3-CD1 4.04Å; W964-L979 HydrophobicContact CH2-CB 4.39Å; W964-L979 HydrophobicContact CH2-CD1 4.21Å; W964-L979 HydrophobicContact CZ2-CD1 4.14Å; W964-L979 HydrophobicContact CZ3-CB 3.71Å; W964-L979 HydrophobicContact CZ3-CD1 4.13Å; W964-L979 HydrophobicContact CZ3-CG 4.43Å |
| 965 | K | 77.8 | Confident | 65.3 | Low | 91 Ų | 91 | 58.3 Ų | 58.3 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 131.6 | 165.6 | -166.6 | 177.5 | 179.3 | -170 | 0 | 108.8 | Y951 I967 S977 Q978 I980 | Y951-K965 HydrophobicContact CE1-CB 4.44Å; Y951-K965 HydrophobicContact CE1-CG 4.13Å; K965-I967 HydrophobicContact CD-CD1 4.19Å; K965-I967 HydrophobicContact CD-CG1 4.02Å; K965-I967 HydrophobicContact CG-CG1 4.04Å; K965-S977 WeakPolarHBondContact O-CA 3.46Å; K965-Q978 PolarHBondContact N-O 2.93Å; K965-Q978 PolarHBondContact O-N 2.9Å; K965-I980 HydrophobicContact CB-CD1 3.76Å; K965-I980 HydrophobicContact CB-CG1 3.67Å |
| 966 | I | 73.8 | Confident | 64.2 | Low | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118.2 | 172.1 | -59.3 | 161.1 | 0 | 0 | 0 | 106.6 | Y930 Y945 G949 N950 L952 | Y930-I966 HydrophobicContact CE1-CG2 4.33Å; Y930-I966 WeakPolarHBondContact OH-CD1 3.2Å; Y930-I966 WeakPolarHBondContact OH-CG1 3.31Å; Y945-I966 HydrophobicContact CD1-CD1 4.25Å; Y945-I966 HydrophobicContact CE1-CD1 3.67Å; G949-I966 WeakPolarHBondContact O-CD1 3.19Å; N950-I966 PolarHBondContact O-N 2.97Å; L952-I966 HydrophobicContact CB-CD1 4.17Å |
| 967 | I | 65.9 | Low | 63.4 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.9 | 179.7 | -55.1 | -177.4 | 0 | 0 | 0 | 108.4 | K965 Y975 E976 Q978 | K965-I967 HydrophobicContact CD-CD1 4.19Å; K965-I967 HydrophobicContact CD-CG1 4.02Å; K965-I967 HydrophobicContact CG-CG1 4.04Å; I967-Y975 WeakPolarHBondContact O-CA 2.92Å; I967-E976 HydrophobicContact CB-CB 4.41Å; I967-E976 WeakPolarHBondContact CB-O 3.35Å; I967-E976 PolarHBondContact N-O 2.85Å; I967-E976 PolarHBondContact O-N 3.11Å; I967-Q978 HydrophobicContact CD1-CB 4.35Å; I967-Q978 HydrophobicContact CD1-CG 3.9Å |
| 968 | H | 58.6 | Low | 62.8 | Low | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.4 | 178.8 | -163.1 | -76.6 | 0 | 0 | 0 | 108 | D970 Y975 | H968-D970 IonicContact CE1-OD1 2.84Å; H968-D970 PolarHBondContact CE1-OD1 2.83Å; H968-D970 VanDerWaalsContact CE1-OD1 3.23Å; H968-D970 IonicContact CG-OD1 2.68Å; H968-D970 IonicContact ND1-OD1 2.62Å; H968-D970 PolarHBondContact ND1-OD1 3.49Å; H968-Y975 AromaticContact CD2-CE1 3.2Å; H968-Y975 WeakPolarHBondContact CD2-CE1 3.44Å; H968-Y975 AromaticContact CD2-CZ 3.66Å; H968-Y975 AromaticContact NE2-CE1 3.55Å; H968-Y975 AromaticContact NE2-CZ 3.48Å; H968-Y975 PolarHBondContact NE2-OH 3.13Å |
| 969 | D | 53.1 | Low | 62.6 | Low | 80 Ų | 80 | 71.9 Ų | 71.9 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 92.9 | 172.9 | -165.6 | -10.6 | 0 | 0 | 0 | 110.5 | K971 Q972 R973 L974 | D969-K971 PolarHBondContact O-N 2.99Å; D969-K971 PolarHBondContact OD1-N 3.35Å; D969-Q972 PolarHBondContact O-N 2.73Å; D969-R973 PolarHBondContact O-N 3.36Å; D969-L974 PolarHBondContact N-O 2.75Å |
| 970 | D | 53.3 | Low | 62.6 | Low | 126 Ų | 126 | 75.1 Ų | 75.1 | 67% | 0.674 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -30.1 | -174.6 | -62.8 | -26.9 | 0 | 0 | 0 | 113.8 | H968 | H968-D970 IonicContact CE1-OD1 2.84Å; H968-D970 PolarHBondContact CE1-OD1 2.83Å; H968-D970 VanDerWaalsContact CE1-OD1 3.23Å; H968-D970 IonicContact CG-OD1 2.68Å; H968-D970 IonicContact ND1-OD1 2.62Å; H968-D970 PolarHBondContact ND1-OD1 3.49Å |
| 971 | K | 50.8 | Low | 61.9 | Low | 193 Ų | 193 | 77.1 Ų | 77.1 | 84% | 0.839 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -23.7 | -175.7 | -72.1 | -177.8 | 177.8 | 175.9 | 0 | 114.2 | D969 | D969-K971 PolarHBondContact O-N 2.99Å; D969-K971 PolarHBondContact OD1-N 3.35Å |
| 972 | Q | 47 | Very low | 61.4 | Low | 135 Ų | 135 | 79 Ų | 79 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | -7.7 | -178.3 | -60.4 | -167.2 | 0.2 | 0 | 0 | 112.9 | D969 L974 | D969-Q972 PolarHBondContact O-N 2.73Å; Q972-L974 HydrophobicContact CB-CB 4.48Å; Q972-L974 HydrophobicContact CB-CD1 4.01Å; Q972-L974 HydrophobicContact CB-CG 3.97Å; Q972-L974 PolarHBondContact O-N 2.77Å |
| 973 | R | 47.9 | Very low | 60.3 | Low | 206 Ų | 206 | 80.3 Ų | 80.3 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 26.2 | -171.9 | -63.5 | -178.1 | 171.5 | -175.4 | -4.7 | 113 | D969 Y975 | D969-R973 PolarHBondContact O-N 3.36Å; R973-Y975 WeakPolarHBondContact O-CD2 3.22Å |
| 974 | L | 46.3 | Very low | 59.1 | Low | 95 Ų | 95 | 84 Ų | 84 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.8 | 171.3 | -66.3 | 174.4 | 0 | 0 | 0 | 108.8 | D969 Q972 | D969-L974 PolarHBondContact N-O 2.75Å; Q972-L974 HydrophobicContact CB-CB 4.48Å; Q972-L974 HydrophobicContact CB-CD1 4.01Å; Q972-L974 HydrophobicContact CB-CG 3.97Å; Q972-L974 PolarHBondContact O-N 2.77Å |
| 975 | Y | 54.8 | Low | 57.9 | Low | 65 Ų | 65 | 91.6 Ų | 91.6 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 95.6 | 177.1 | -69.2 | -98.1 | 0 | 0 | 0 | 108.1 | L929 I967 H968 R973 | L929-Y975 HydrophobicContact CD2-CD2 4.24Å; I967-Y975 WeakPolarHBondContact O-CA 2.92Å; H968-Y975 AromaticContact CD2-CE1 3.2Å; H968-Y975 WeakPolarHBondContact CD2-CE1 3.44Å; H968-Y975 AromaticContact CD2-CZ 3.66Å; H968-Y975 AromaticContact NE2-CE1 3.55Å; H968-Y975 AromaticContact NE2-CZ 3.48Å; H968-Y975 PolarHBondContact NE2-OH 3.13Å; R973-Y975 WeakPolarHBondContact O-CD2 3.22Å |
| 976 | E | 55.6 | Low | 56.8 | Low | 110 Ų | 110 | 90 Ų | 90 | 51% | 0.514 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.9 | 176.1 | -75.5 | -162 | 175.6 | 0 | 0 | 111 | I967 Q978 | I967-E976 HydrophobicContact CB-CB 4.41Å; I967-E976 WeakPolarHBondContact CB-O 3.35Å; I967-E976 PolarHBondContact N-O 2.85Å; I967-E976 PolarHBondContact O-N 3.11Å; E976-Q978 PolarHBondContact OE2-NE2 2.78Å |
| 977 | S | 57.7 | Low | 55.8 | Low | 36 Ų | 36 | 89.9 Ų | 89.9 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 114.9 | 169.4 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | L932 K965 | L932-S977 VanDerWaalsContact CD2-OG 3.28Å; L932-S977 WeakPolarHBondContact CD2-OG 3.45Å; K965-S977 WeakPolarHBondContact O-CA 3.46Å |
| 978 | Q | 59.1 | Low | 54.9 | Low | 95 Ų | 95 | 87.7 Ų | 87.7 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.5 | 177.9 | -66.1 | -173.9 | 1.1 | 0 | 0 | 110.1 | K965 I967 E976 I980 | K965-Q978 PolarHBondContact N-O 2.93Å; K965-Q978 PolarHBondContact O-N 2.9Å; I967-Q978 HydrophobicContact CD1-CB 4.35Å; I967-Q978 HydrophobicContact CD1-CG 3.9Å; E976-Q978 PolarHBondContact OE2-NE2 2.78Å; Q978-I980 PolarHBondContact O-N 2.83Å |
| 979 | L | 61.8 | Low | 53.9 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 111.7 | 172.9 | -178.5 | 64.5 | 0 | 0 | 0 | 109 | F934 A962 W964 H981 | F934-L979 HydrophobicContact CD2-CD2 3.58Å; F934-L979 HydrophobicContact CE2-CD2 3.76Å; F934-L979 HydrophobicContact CG-CD2 4.37Å; A962-L979 HydrophobicContact CB-CD1 3.85Å; W964-L979 HydrophobicContact CD2-CD1 4.02Å; W964-L979 HydrophobicContact CE3-CB 3.87Å; W964-L979 HydrophobicContact CE3-CD1 4.04Å; W964-L979 HydrophobicContact CH2-CB 4.39Å; W964-L979 HydrophobicContact CH2-CD1 4.21Å; W964-L979 HydrophobicContact CZ2-CD1 4.14Å; W964-L979 HydrophobicContact CZ3-CB 3.71Å; W964-L979 HydrophobicContact CZ3-CD1 4.13Å; W964-L979 HydrophobicContact CZ3-CG 4.43Å; L979-H981 WeakPolarHBondContact CD1-O 2.91Å |
| 980 | I | 67.9 | Low | 53.6 | Low | 68 Ų | 68 | 84.6 Ų | 84.6 | 35% | 0.349 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -45.5 | 177.2 | -44.9 | 176.5 | 0 | 0 | 0 | 109.5 | Y951 V963 K965 Q978 V1041 | Y951-I980 HydrophobicContact CD1-CD1 3.77Å; Y951-I980 HydrophobicContact CE1-CD1 3.59Å; V963-I980 HydrophobicContact CG1-CD1 4.19Å; V963-I980 PolarHBondContact O-N 2.88Å; K965-I980 HydrophobicContact CB-CD1 3.76Å; K965-I980 HydrophobicContact CB-CG1 3.67Å; Q978-I980 PolarHBondContact O-N 2.83Å; I980-V1041 HydrophobicContact CD1-CG1 4.21Å |
| 981 | H | 57.6 | Low | 52.5 | Low | 64 Ų | 64 | 84.6 Ų | 84.6 | 30% | 0.296 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 145.3 | -166.8 | -152.5 | 71.3 | 0 | 0 | 0 | 111.8 | A962 V963 L979 L983 | A962-H981 WeakPolarHBondContact CA-O 3.02Å; V963-H981 PolarHBondContact N-O 3.19Å; V963-H981 PolarHBondContact O-N 3.29Å; L979-H981 WeakPolarHBondContact CD1-O 2.91Å; H981-L983 WeakPolarHBondContact NE2-CD2 3.41Å |
| 982 | S | 64.4 | Low | 51.7 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 30% | 0.301 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 125.5 | 177.3 | 55 | 0 | 0 | 0 | 0 | 109.8 | L961 | L961-S982 WeakPolarHBondContact O-CA 3.47Å |
| 983 | L | 56.7 | Low | 50.7 | Low | 27 Ų | 27 | 80.4 Ų | 80.4 | 14% | 0.141 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 107.1 | 176.8 | -69.2 | 176.2 | 0 | 0 | 0 | 109.9 | Q960 L961 H981 Q986 A1043 | Q960-L983 VanDerWaalsContact CA-O 3.31Å; Q960-L983 WeakPolarHBondContact CA-O 3.48Å; L961-L983 PolarHBondContact N-O 3.32Å; L961-L983 PolarHBondContact O-N 3.37Å; H981-L983 WeakPolarHBondContact NE2-CD2 3.41Å; L983-Q986 HydrophobicContact CB-CB 4.39Å; L983-Q986 HydrophobicContact CB-CG 4.2Å; L983-A1043 HydrophobicContact CD1-CB 3.62Å; L983-A1043 WeakPolarHBondContact CD1-O 3.28Å; L983-A1043 HydrophobicContact CG-CB 4.3Å |
| 984 | N | 53.6 | Low | 49.7 | Very low | 79 Ų | 79 | 76.2 Ų | 76.2 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 142.2 | -179.2 | -60.8 | 24.9 | 0 | 0 | 0 | 111.2 | Q960 Q986 | Q960-N984 HydrophobicContact CG-CB 4.05Å; N984-Q986 PolarHBondContact O-N 2.89Å |
| 985 | Y | 52.9 | Low | 48.8 | Very low | 178 Ų | 178 | 78.1 Ų | 78.1 | 70% | 0.698 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 35.1 | 175.8 | -45.9 | -72.5 | 0 | 0 | 0 | 115.3 | S958 G959 P1030 | S958-Y985 WeakPolarHBondContact O-CD1 3.3Å; G959-Y985 CarbonylContact O-C 3.53Å; G959-Y985 PolarHBondContact O-N 3.31Å; Y985-P1030 WeakPolarHBondContact O-CG 3.11Å |
| 986 | Q | 54.3 | Low | 47.4 | Very low | 58 Ų | 58 | 79.6 Ų | 79.6 | 27% | 0.271 | 41% | 0.409 | S | S | . | . | trans | -110.3 | -4.6 | 178.2 | -69.4 | -152.4 | 21.9 | 0 | 0 | 116.1 | G959 L983 N984 Y1027 G1029 P1030 | G959-Q986 CarbonylContact O-C 3.48Å; G959-Q986 PolarHBondContact O-N 2.81Å; L983-Q986 HydrophobicContact CB-CB 4.39Å; L983-Q986 HydrophobicContact CB-CG 4.2Å; N984-Q986 PolarHBondContact O-N 2.89Å; Q986-Y1027 PolarHBondContact OE1-OH 2.79Å; Q986-G1029 VanDerWaalsContact O-CA 3.32Å; Q986-G1029 WeakPolarHBondContact O-CA 3.32Å; Q986-P1030 VanDerWaalsContact O-CD 3.25Å; Q986-P1030 WeakPolarHBondContact O-CD 3.31Å | ||
| 987 | I | 51.6 | Low | 45.8 | Very low | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.067 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -112.3 | 146.6 | 176.2 | -76 | 175.9 | 0 | 0 | 0 | 112.1 | S955 G959 L961 Y1027 | S955-I987 VanDerWaalsContact CB-CD1 3.44Å; G959-I987 VanDerWaalsContact CA-O 3.25Å; G959-I987 WeakPolarHBondContact CA-O 3.18Å; G959-I987 PolarHBondContact O-N 3.14Å; L961-I987 HydrophobicContact CB-CD1 3.81Å; L961-I987 HydrophobicContact CD1-CD1 4.05Å; L961-I987 HydrophobicContact CG-CD1 4.36Å; I987-Y1027 HydrophobicContact CD1-CD2 4.09Å; I987-Y1027 HydrophobicContact CD1-CG 4.49Å; I987-Y1027 HydrophobicContact CG1-CD2 3.66Å; I987-Y1027 HydrophobicContact CG1-CE2 4.17Å; I987-Y1027 HydrophobicContact CG1-CG 4.49Å |
| 988 | G | 47.3 | Very low | 44.2 | Very low | 2 Ų | 2 | 84.1 Ų | 84.1 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | trans | -72.3 | 120.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F990 M1028 G1029 | G988-F990 PolarHBondContact O-N 2.9Å; G988-M1028 PolarHBondContact N-O 3.06Å; G988-G1029 VanDerWaalsContact CA-O 3.27Å; G988-G1029 WeakPolarHBondContact CA-O 3.27Å; G988-G1029 PolarHBondContact N-O 2.88Å; G988-G1029 VanDerWaalsContact N-O 3.14Å | ||
| 989 | I | 37.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 86.5 Ų | 86.5 | 48% | 0.477 | 45% | 0.448 | S | S | . | . | trans | -72.6 | 120.1 | -176.7 | -47.6 | -178.7 | 0 | 0 | 0 | 111.2 | S957 | S957-I989 WeakPolarHBondContact O-CD1 3.48Å; S957-I989 WeakPolarHBondContact O-CG1 3.49Å; S957-I989 VanDerWaalsContact O-CG2 3.28Å; S957-I989 WeakPolarHBondContact O-CG2 3.49Å | ||
| 990 | F | 46.6 | Very low | 40.8 | Very low | 22 Ų | 22 | 91.8 Ų | 91.8 | 10% | 0.096 | 47% | 0.473 | C | S | . | . | trans | -103 | 95.1 | 172.2 | -65.3 | -64.1 | 0 | 0 | 0 | 110.7 | G988 I992 R1012 M1028 L1032 | G988-F990 PolarHBondContact O-N 2.9Å; F990-I992 PolarHBondContact O-N 2.8Å; F990-R1012 HydrophobicContact CB-CB 4.25Å; F990-R1012 HydrophobicContact CD1-CB 3.61Å; F990-R1012 VanDerWaalsContact CD1-CD 3.41Å; F990-R1012 HydrophobicContact CD1-CG 4.16Å; F990-R1012 HydrophobicContact CE1-CB 3.99Å; F990-R1012 HydrophobicContact CE1-CG 4.47Å; F990-R1012 HydrophobicContact CG-CB 3.98Å; F990-M1028 HydrophobicContact CE1-CE 4.18Å; F990-M1028 HydrophobicContact CE2-CE 4.16Å; F990-M1028 HydrophobicContact CZ-CE 3.4Å; F990-M1028 VanDerWaalsContact CZ-CE 3.4Å; F990-L1032 HydrophobicContact CD1-CD2 4.25Å; F990-L1032 HydrophobicContact CE1-CD2 3.56Å; F990-L1032 HydrophobicContact CZ-CD2 4.05Å | ||
| 991 | N | 31.6 | Very low | 38.8 | Very low | 127 Ų | 127 | 97.4 Ų | 97.4 | 68% | 0.679 | 50% | 0.495 | S | S | * | . | trans | -71.2 | 114.7 | -174.3 | -115.1 | 8.8 | 0 | 0 | 0 | 112.6 | I993 | N991-I993 VanDerWaalsContact C-N 3.35Å; N991-I993 HydrophobicContact CB-CG1 4.47Å; N991-I993 PolarHBondContact O-N 2.76Å | ||
| 992 | I | 33.8 | Very low | 37.4 | Very low | 111 Ų | 111 | 103 Ų | 103 | 57% | 0.569 | 52% | 0.522 | S | S | * | . | trans | -79.9 | 82.4 | 171.7 | -53.5 | 179.2 | 0 | 0 | 0 | 109.1 | S641 F990 K994 | S641-I992 VanDerWaalsContact CB-CD1 3.49Å; F990-I992 PolarHBondContact O-N 2.8Å; I992-K994 PolarHBondContact O-N 2.85Å | ||
| 993 | I | 25.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 107.1 Ų | 107.1 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | trans | -70.8 | 105.6 | 172.6 | -59.6 | 179.9 | 0 | 0 | 0 | 108.4 | N991 | N991-I993 VanDerWaalsContact C-N 3.35Å; N991-I993 HydrophobicContact CB-CG1 4.47Å; N991-I993 PolarHBondContact O-N 2.76Å | ||
| 994 | K | 25.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | trans | -45.6 | 141.1 | 167.5 | -71.7 | 174 | 174.2 | 174 | 0 | 109.6 | E639 I992 T996 | E639-K994 IonicContact OE1-NZ 2.77Å; E639-K994 PolarHBondContact OE1-NZ 2.84Å; I992-K994 PolarHBondContact O-N 2.85Å; K994-T996 PolarHBondContact O-N 2.72Å; K994-T996 PolarHBondContact O-OG1 3.44Å | ||
| 995 | P | 28.6 | Very low | 33.2 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 88% | 0.883 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -72.3 | 31.9 | -178.4 | 30.7 | -36.3 | 0 | 0 | 0 | 114.1 | M997 | P995-M997 PolarHBondContact O-N 2.92Š|
| 996 | T | 24.5 | Very low | 31.9 | Very low | 95 Ų | 95 | 115 Ų | 115 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | trans | -61.9 | 110.6 | 161.1 | 45.9 | 0 | 0 | 0 | 0 | 109 | K994 T998 | K994-T996 PolarHBondContact O-N 2.72Å; K994-T996 PolarHBondContact O-OG1 3.44Å; T996-T998 VanDerWaalsContact C-N 3.27Å; T996-T998 PolarHBondContact O-N 2.92Å | ||
| 997 | M | 23.4 | Very low | 30.5 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | trans | -65.4 | 77.4 | -177.7 | -176.5 | 174.8 | 55.5 | 0 | 0 | 112.3 | P995 M999 M1239 | P995-M997 PolarHBondContact O-N 2.92Å; M997-M999 PolarHBondContact O-N 3.36Å; M997-M999 VanDerWaalsContact O-N 3.11Å; M997-M1239 HydrophobicContact CE-CE 3.65Å; M997-M1239 HydrophobicContact CE-CG 4.41Å | ||
| 998 | T | 23.8 | Very low | 29.3 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | trans | -67 | 106 | 172.2 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | T996 M1000 | T996-T998 VanDerWaalsContact C-N 3.27Å; T996-T998 PolarHBondContact O-N 2.92Å; T998-M1000 PolarHBondContact O-N 2.83Å | ||
| 999 | M | 22 | Very low | 28.5 | Very low | 145 Ų | 145 | 132 Ų | 132 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | trans | -70.6 | 57.9 | -178.8 | -82.6 | -112.3 | 64.3 | 0 | 0 | 113.5 | M997 K1001 | M997-M999 PolarHBondContact O-N 3.36Å; M997-M999 VanDerWaalsContact O-N 3.11Å; M999-K1001 PolarHBondContact O-N 2.84Å | ||
| 1000 | M | 27.1 | Very low | 28.2 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 88% | 0.882 | 69% | 0.69 | S | S | * | * | trans | -70.1 | 110 | 161.6 | -77.2 | -63.1 | -165.5 | 0 | 0 | 108.5 | T998 | T998-M1000 PolarHBondContact O-N 2.83Š| ||
| 1001 | K | 26.1 | Very low | 27.9 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -106 | 83.7 | -164.2 | -167.2 | -175.1 | -178.1 | -174.9 | 0 | 111.9 | M999 | M999-K1001 PolarHBondContact O-N 2.84Š| ||
| 1002 | Q | 28 | Very low | 28.3 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 71% | 0.705 | S | S | * | * | trans | -136.1 | 102.5 | 162.3 | -92.8 | 175.5 | -7.6 | 0 | 0 | 110.4 | ||||
| 1003 | D | 28.1 | Very low | 29 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 50.4 | 85.2 | 152.3 | -51.3 | -31.6 | 0 | 0 | 0 | 120.3 | H1005 | D1003-H1005 PolarHBondContact O-N 3.24Å; D1003-H1005 VanDerWaalsContact O-N 3.13Å |
| 1004 | N | 30.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 71.4 | -0.4 | 135 | -65.3 | -18.4 | 0 | 0 | 0 | 122.3 | ||
| 1005 | H | 28.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 50% | 0.5 | 66% | 0.663 | S | S | . | * | trans | -108.9 | 105.5 | 169.6 | -70.7 | -45.1 | 0 | 0 | 0 | 113.2 | D1003 M1007 I1344 | D1003-H1005 PolarHBondContact O-N 3.24Å; D1003-H1005 VanDerWaalsContact O-N 3.13Å; H1005-M1007 PolarHBondContact O-N 3.38Å; H1005-I1344 PolarHBondContact CE1-O 3.14Å; H1005-I1344 VanDerWaalsContact CE1-O 3.26Å; H1005-I1344 PolarHBondContact NE2-N 3.03Å | ||
| 1006 | L | 26.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 95% | 0.948 | 63% | 0.626 | S | S | * | * | trans | -83.1 | 107.6 | 172.1 | -85 | 161.2 | 0 | 0 | 0 | 110.2 | ||||
| 1007 | M | 23.7 | Very low | 36.7 | Very low | 165 Ų | 165 | 119.7 Ų | 119.7 | 81% | 0.813 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 134.8 | 172.4 | -69.4 | -75.1 | -80.2 | 0 | 0 | 110.5 | H1005 | H1005-M1007 PolarHBondContact O-N 3.38Š|
| 1008 | L | 27.7 | Very low | 39.4 | Very low | 168 Ų | 168 | 114.2 Ų | 114.2 | 88% | 0.88 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 145.8 | 164.7 | -85.2 | 152.3 | 0 | 0 | 0 | 109.4 | E1010 | L1008-E1010 PolarHBondContact O-N 2.89Š|
| 1009 | S | 30.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 109 Ų | 109 | 67% | 0.671 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 125.5 | -168.4 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1010 | E | 31.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 136.4 | 162.5 | -58 | -178.3 | 125.2 | 0 | 0 | 110.1 | L1008 R1012 | L1008-E1010 PolarHBondContact O-N 2.89Å; E1010-R1012 HydrophobicContact CB-CG 4.24Å; E1010-R1012 IonicContact OE1-CZ 2.71Å; E1010-R1012 IonicContact OE1-NE 2.7Å; E1010-R1012 PolarHBondContact OE1-NE 2.83Å; E1010-R1012 IonicContact OE1-NH2 3.23Å; E1010-R1012 PolarHBondContact OE1-NH2 2.91Å; E1010-R1012 IonicContact OE2-CZ 3.23Å; E1010-R1012 VanDerWaalsContact OE2-CZ 3.22Å; E1010-R1012 IonicContact OE2-NE 2.82Å; E1010-R1012 PolarHBondContact OE2-NE 3.19Å; E1010-R1012 IonicContact OE2-NH2 3.88Å; E1010-R1012 PolarHBondContact OE2-NH2 3.18Å |
| 1011 | I | 39.3 | Very low | 45.8 | Very low | 155 Ų | 155 | 100.1 Ų | 100.1 | 80% | 0.795 | 51% | 0.505 | S | S | * | . | trans | -122.6 | 109.9 | 164.1 | -60.2 | 174.5 | 0 | 0 | 0 | 105.9 | ||||
| 1012 | R | 40.2 | Very low | 47.9 | Very low | 79 Ų | 79 | 91.6 Ų | 91.6 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | trans | -103.7 | 105.2 | -171 | -60.7 | 176.1 | 177.4 | -142.9 | -6.6 | 109.3 | F990 E1010 K1076 | F990-R1012 HydrophobicContact CB-CB 4.25Å; F990-R1012 HydrophobicContact CD1-CB 3.61Å; F990-R1012 VanDerWaalsContact CD1-CD 3.41Å; F990-R1012 HydrophobicContact CD1-CG 4.16Å; F990-R1012 HydrophobicContact CE1-CB 3.99Å; F990-R1012 HydrophobicContact CE1-CG 4.47Å; F990-R1012 HydrophobicContact CG-CB 3.98Å; E1010-R1012 HydrophobicContact CB-CG 4.24Å; E1010-R1012 IonicContact OE1-CZ 2.71Å; E1010-R1012 IonicContact OE1-NE 2.7Å; E1010-R1012 PolarHBondContact OE1-NE 2.83Å; E1010-R1012 IonicContact OE1-NH2 3.23Å; E1010-R1012 PolarHBondContact OE1-NH2 2.91Å; E1010-R1012 IonicContact OE2-CZ 3.23Å; E1010-R1012 VanDerWaalsContact OE2-CZ 3.22Å; E1010-R1012 IonicContact OE2-NE 2.82Å; E1010-R1012 PolarHBondContact OE2-NE 3.19Å; E1010-R1012 IonicContact OE2-NH2 3.88Å; E1010-R1012 PolarHBondContact OE2-NH2 3.18Å; R1012-K1076 PolarHBondContact NH1-O 3.31Å | ||
| 1013 | K | 48.3 | Very low | 50 | Low | 130 Ų | 130 | 87.5 Ų | 87.5 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | trans | -62.5 | 136.7 | 168 | -69.9 | -177.8 | 177.5 | 177.2 | 0 | 108.1 | D1213 | K1013-D1213 IonicContact NZ-OD1 3.83Å; K1013-D1213 IonicContact NZ-OD2 2.94Å; K1013-D1213 PolarHBondContact NZ-OD2 2.98Å | ||
| 1014 | S | 55.5 | Low | 52.4 | Low | 25 Ų | 25 | 83.6 Ų | 83.6 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | trans | -80.3 | 159.1 | 174.6 | 93.8 | 0 | 0 | 0 | 0 | 111.5 | T941 A942 | T941-S1014 WeakPolarHBondContact CB-OG 3.25Å; T941-S1014 WeakPolarHBondContact O-CB 3.37Å; T941-S1014 PolarHBondContact O-OG 3.15Å; A942-S1014 VanDerWaalsContact CB-OG 3.3Å; A942-S1014 WeakPolarHBondContact CB-OG 3.49Å | ||
| 1015 | I | 62.6 | Low | 54.8 | Low | 22 Ų | 22 | 76 Ų | 76 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | trans | -130.7 | 113.6 | -167.2 | -59.1 | 171.7 | 0 | 0 | 0 | 110 | L1078 N1079 I1081 | I1015-L1078 HydrophobicContact CD1-CB 3.53Å; I1015-L1078 VanDerWaalsContact CD1-O 3.24Å; I1015-L1078 WeakPolarHBondContact CD1-O 3.5Å; I1015-N1079 VanDerWaalsContact CD1-C 3.42Å; I1015-I1081 HydrophobicContact CG2-CB 3.94Å; I1015-I1081 HydrophobicContact CG2-CD1 3.86Å; I1015-I1081 HydrophobicContact CG2-CG1 3.72Å | ||
| 1016 | I | 73 | Confident | 57.1 | Low | 20 Ų | 20 | 70.9 Ų | 70.9 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.8 | 176.8 | -172.6 | 163.5 | 0 | 0 | 0 | 106.9 | A942 L944 L961 I1025 A1026 | A942-I1016 HydrophobicContact CB-CG2 3.45Å; A942-I1016 VanDerWaalsContact CB-CG2 3.45Å; L944-I1016 HydrophobicContact CD1-CG1 4.48Å; L944-I1016 HydrophobicContact CD1-CG2 3.93Å; L944-I1016 WeakPolarHBondContact CD1-O 3.45Å; L944-I1016 HydrophobicContact CG-CG2 4.26Å; L961-I1016 HydrophobicContact CD1-CD1 3.81Å; I1016-I1025 HydrophobicContact CD1-CD1 3.82Å; I1016-I1025 HydrophobicContact CD1-CG1 4.47Å; I1016-I1025 HydrophobicContact CG1-CD1 3.96Å; I1016-I1025 HydrophobicContact CG1-CG1 4.11Å; I1016-A1026 CarbonylContact C-O 3.59Å; I1016-A1026 VanDerWaalsContact CA-O 3.32Å; I1016-A1026 WeakPolarHBondContact CA-O 3.31Å |
| 1017 | T | 76.1 | Confident | 59.4 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | I1025 A1026 I1081 F1083 L1110 | T1017-I1025 WeakPolarHBondContact O-CA 3.33Å; T1017-I1025 WeakPolarHBondContact O-CG1 3.23Å; T1017-A1026 HydrophobicContact CG2-CB 4.11Å; T1017-A1026 PolarHBondContact N-O 3.05Å; T1017-A1026 PolarHBondContact O-N 2.98Å; T1017-I1081 HydrophobicContact CG2-CB 4.03Å; T1017-I1081 HydrophobicContact CG2-CG2 3.47Å; T1017-I1081 VanDerWaalsContact CG2-CG2 3.47Å; T1017-F1083 HydrophobicContact CG2-CD2 3.65Å; T1017-F1083 HydrophobicContact CG2-CE2 3.75Å; T1017-F1083 WeakPolarHBondContact O-CE2 3.45Å; T1017-L1110 HydrophobicContact CG2-CD1 4.47Å |
| 1018 | V | 78.7 | Confident | 61.5 | Low | 17 Ų | 17 | 54.8 Ų | 54.8 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.4 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | L944 Y953 I1025 F1083 | L944-V1018 HydrophobicContact CB-CG2 4.25Å; L944-V1018 HydrophobicContact CD1-CG2 4.07Å; Y953-V1018 HydrophobicContact CD2-CG2 3.5Å; Y953-V1018 HydrophobicContact CE2-CB 4.45Å; Y953-V1018 HydrophobicContact CE2-CG1 3.98Å; Y953-V1018 HydrophobicContact CE2-CG2 3.55Å; Y953-V1018 HydrophobicContact CG-CG2 4.36Å; V1018-I1025 HydrophobicContact CG2-CD1 4.25Å; V1018-I1025 HydrophobicContact CG2-CG1 4.22Å; V1018-F1083 WeakPolarHBondContact O-CD2 3.07Å |
| 1019 | S | 73.2 | Confident | 63 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -71.5 | 161.1 | 179.9 | 86.6 | 0 | 0 | 0 | 0 | 112.5 | P947 K1021 G1022 L1023 Y1024 E1108 | P947-S1019 WeakPolarHBondContact CG-O 3.44Å; S1019-K1021 PolarHBondContact O-N 3.18Å; S1019-G1022 WeakPolarHBondContact O-CA 3.37Å; S1019-G1022 PolarHBondContact O-N 2.83Å; S1019-L1023 PolarHBondContact OG-N 2.85Å; S1019-Y1024 PolarHBondContact N-O 3.36Å; S1019-Y1024 PolarHBondContact OG-N 3.1Å; S1019-E1108 WeakPolarHBondContact CB-OE1 3.27Å; S1019-E1108 WeakPolarHBondContact CB-OE2 3.45Å; S1019-E1108 VanDerWaalsContact OG-CD 3.29Å; S1019-E1108 PolarHBondContact OG-OE1 2.85Å; S1019-E1108 PolarHBondContact OG-OE2 2.87Å | ||
| 1020 | S | 68 | Low | 64.1 | Low | 56 Ų | 56 | 46.1 Ų | 46.1 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.8 | -173.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | P947 S1085 E1108 | P947-S1020 WeakPolarHBondContact CB-O 3.5Å; P947-S1020 WeakPolarHBondContact CG-O 3.3Å; S1020-S1085 VanDerWaalsContact OG-CB 3.29Å; S1020-S1085 WeakPolarHBondContact OG-CB 3.47Å; S1020-E1108 WeakPolarHBondContact CA-OE1 3.29Å; S1020-E1108 WeakPolarHBondContact CB-OE1 3.15Å; S1020-E1108 PolarHBondContact N-OE1 3.1Å; S1020-E1108 PolarHBondContact OG-OE1 3.48Å |
| 1021 | K | 67.2 | Low | 65 | Low | 80 Ų | 80 | 49.2 Ų | 49.2 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.9 | 171.8 | -63.3 | -166.5 | 178.3 | -168.6 | 0 | 114.1 | S1019 L1023 S1104 D1106 E1108 | S1019-K1021 PolarHBondContact O-N 3.18Å; K1021-L1023 HydrophobicContact CB-CD1 3.87Å; K1021-L1023 HydrophobicContact CB-CG 3.83Å; K1021-L1023 HydrophobicContact CD-CD1 4.2Å; K1021-L1023 PolarHBondContact O-N 2.86Å; K1021-S1104 PolarHBondContact NZ-O 3.32Å; K1021-D1106 WeakPolarHBondContact CE-OD2 3.44Å; K1021-D1106 IonicContact NZ-OD2 3.39Å; K1021-D1106 PolarHBondContact NZ-OD2 3.42Å; K1021-E1108 PolarHBondContact N-OE1 3.08Å |
| 1022 | G | 69.4 | Low | 65.8 | Low | 9 Ų | 9 | 43.5 Ų | 43.5 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 69 | 11 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1019 | S1019-G1022 WeakPolarHBondContact O-CA 3.37Å; S1019-G1022 PolarHBondContact O-N 2.83Å |
| 1023 | L | 72.4 | Confident | 66.8 | Low | 96 Ų | 96 | 41.2 Ų | 41.2 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -72.8 | -33.7 | -176.4 | -68.7 | 172.5 | 0 | 0 | 0 | 112.2 | S1019 K1021 G1040 | S1019-L1023 PolarHBondContact OG-N 2.85Å; K1021-L1023 HydrophobicContact CB-CD1 3.87Å; K1021-L1023 HydrophobicContact CB-CG 3.83Å; K1021-L1023 HydrophobicContact CD-CD1 4.2Å; K1021-L1023 PolarHBondContact O-N 2.86Å; L1023-G1040 PolarHBondContact O-N 3.41Å |
| 1024 | Y | 77.6 | Confident | 67.7 | Low | 46 Ų | 46 | 36.6 Ų | 36.6 | 18% | 0.18 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.3 | -176.3 | -58.4 | -82 | 0 | 0 | 0 | 111.8 | S1019 I1037 A1038 V1046 L1124 | S1019-Y1024 PolarHBondContact N-O 3.36Å; S1019-Y1024 PolarHBondContact OG-N 3.1Å; Y1024-I1037 HydrophobicContact CD1-CG2 4.39Å; Y1024-A1038 WeakPolarHBondContact CA-O 3.45Å; Y1024-V1046 HydrophobicContact CE1-CG2 4.41Å; Y1024-L1124 HydrophobicContact CD1-CD2 4.1Å; Y1024-L1124 HydrophobicContact CD2-CB 4.47Å; Y1024-L1124 HydrophobicContact CD2-CD1 3.58Å; Y1024-L1124 HydrophobicContact CD2-CD2 4.14Å; Y1024-L1124 HydrophobicContact CD2-CG 4.29Å; Y1024-L1124 HydrophobicContact CE2-CB 4.42Å; Y1024-L1124 HydrophobicContact CE2-CD1 4.28Å; Y1024-L1124 HydrophobicContact CG-CD1 3.96Å; Y1024-L1124 HydrophobicContact CG-CD2 3.84Å; Y1024-L1124 HydrophobicContact CG-CG 4.46Å |
| 1025 | I | 82.5 | Confident | 68.6 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.7 | 171.9 | -168.5 | 169.9 | 0 | 0 | 0 | 109.1 | Y953 I1016 T1017 V1018 Y1027 I1037 A1038 | Y953-I1025 HydrophobicContact CD1-CD1 3.4Å; Y953-I1025 HydrophobicContact CD2-CD1 4.22Å; Y953-I1025 HydrophobicContact CE1-CD1 3.74Å; Y953-I1025 HydrophobicContact CG-CD1 3.64Å; I1016-I1025 HydrophobicContact CD1-CD1 3.82Å; I1016-I1025 HydrophobicContact CD1-CG1 4.47Å; I1016-I1025 HydrophobicContact CG1-CD1 3.96Å; I1016-I1025 HydrophobicContact CG1-CG1 4.11Å; T1017-I1025 WeakPolarHBondContact O-CA 3.33Å; T1017-I1025 WeakPolarHBondContact O-CG1 3.23Å; V1018-I1025 HydrophobicContact CG2-CD1 4.25Å; V1018-I1025 HydrophobicContact CG2-CG1 4.22Å; I1025-Y1027 HydrophobicContact CG2-CD1 4.34Å; I1025-Y1027 HydrophobicContact CG2-CE1 4.4Å; I1025-I1037 WeakPolarHBondContact O-CA 3.43Å; I1025-A1038 HydrophobicContact CG2-CB 3.88Å; I1025-A1038 PolarHBondContact N-O 2.85Å; I1025-A1038 PolarHBondContact O-N 2.67Å |
| 1026 | A | 75 | Confident | 69.1 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1016 T1017 L1035 T1036 I1037 F1083 L1110 | I1016-A1026 CarbonylContact C-O 3.59Å; I1016-A1026 VanDerWaalsContact CA-O 3.32Å; I1016-A1026 WeakPolarHBondContact CA-O 3.31Å; T1017-A1026 HydrophobicContact CG2-CB 4.11Å; T1017-A1026 PolarHBondContact N-O 3.05Å; T1017-A1026 PolarHBondContact O-N 2.98Å; A1026-L1035 HydrophobicContact CB-CD1 4.4Å; A1026-T1036 WeakPolarHBondContact CA-O 3.44Å; A1026-I1037 HydrophobicContact CB-CG1 4.44Å; A1026-F1083 HydrophobicContact CB-CE2 3.85Å; A1026-F1083 HydrophobicContact CB-CZ 3.74Å; A1026-L1110 HydrophobicContact CB-CD1 4.36Å; A1026-L1110 HydrophobicContact CB-CD2 4.32Å |
| 1027 | Y | 75.5 | Confident | 69.3 | Low | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 159.4 | 179.5 | 60.8 | -87.9 | 0 | 0 | 0 | 109.8 | L961 Q986 I987 I1025 T1036 A1038 | L961-Y1027 HydrophobicContact CD2-CD1 3.86Å; L961-Y1027 HydrophobicContact CD2-CE1 3.63Å; L961-Y1027 HydrophobicContact CD2-CE2 4.32Å; L961-Y1027 HydrophobicContact CD2-CG 4.3Å; Q986-Y1027 PolarHBondContact OE1-OH 2.79Å; I987-Y1027 HydrophobicContact CD1-CD2 4.09Å; I987-Y1027 HydrophobicContact CD1-CG 4.49Å; I987-Y1027 HydrophobicContact CG1-CD2 3.66Å; I987-Y1027 HydrophobicContact CG1-CE2 4.17Å; I987-Y1027 HydrophobicContact CG1-CG 4.49Å; I1025-Y1027 HydrophobicContact CG2-CD1 4.34Å; I1025-Y1027 HydrophobicContact CG2-CE1 4.4Å; Y1027-T1036 WeakPolarHBondContact CD2-OG1 3.32Å; Y1027-T1036 WeakPolarHBondContact CE2-OG1 3.29Å; Y1027-T1036 PolarHBondContact N-O 3.46Å; Y1027-T1036 PolarHBondContact O-N 2.91Å; Y1027-T1036 PolarHBondContact O-OG1 3.29Å; Y1027-A1038 HydrophobicContact CE1-CB 3.95Å |
| 1028 | M | 67.6 | Low | 69.4 | Low | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.9 | 179.8 | -170.2 | 171.2 | 54.5 | 0 | 0 | 112.6 | G988 F990 L1032 L1078 | G988-M1028 PolarHBondContact N-O 3.06Å; F990-M1028 HydrophobicContact CE1-CE 4.18Å; F990-M1028 HydrophobicContact CE2-CE 4.16Å; F990-M1028 HydrophobicContact CZ-CE 3.4Å; F990-M1028 VanDerWaalsContact CZ-CE 3.4Å; M1028-L1032 HydrophobicContact CE-CD2 3.73Å; M1028-L1078 HydrophobicContact CB-CD1 4.46Å; M1028-L1078 HydrophobicContact CG-CD1 4.45Å; M1028-L1078 HydrophobicContact SD-CD1 3.81Å; M1028-L1078 HydrophobicContact SD-CG 4.45Å |
| 1029 | G | 58.8 | Low | 69.1 | Low | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | trans | -73.6 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q986 G988 R1031 M1034 | Q986-G1029 VanDerWaalsContact O-CA 3.32Å; Q986-G1029 WeakPolarHBondContact O-CA 3.32Å; G988-G1029 VanDerWaalsContact CA-O 3.27Å; G988-G1029 WeakPolarHBondContact CA-O 3.27Å; G988-G1029 PolarHBondContact N-O 2.88Å; G988-G1029 VanDerWaalsContact N-O 3.14Å; G1029-R1031 CarbonylContact O-C 3.58Å; G1029-R1031 PolarHBondContact O-N 3.34Å; G1029-M1034 PolarHBondContact N-O 3.04Å | ||
| 1030 | P | 53.1 | Low | 68.9 | Low | 82 Ų | 82 | 37.3 Ų | 37.3 | 53% | 0.532 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -67.5 | -27.9 | -178.5 | -17.4 | 33.1 | 0 | 0 | 0 | 112.2 | Y985 Q986 | Y985-P1030 WeakPolarHBondContact O-CG 3.11Å; Q986-P1030 VanDerWaalsContact O-CD 3.25Å; Q986-P1030 WeakPolarHBondContact O-CD 3.31Å |
| 1031 | R | 51.3 | Low | 69.1 | Low | 187 Ų | 187 | 37.6 Ų | 37.6 | 71% | 0.706 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -80.4 | 114.3 | 159.8 | -70.9 | 179.3 | 175.5 | 168.5 | -1.1 | 107.3 | G1029 D1033 M1034 | G1029-R1031 CarbonylContact O-C 3.58Å; G1029-R1031 PolarHBondContact O-N 3.34Å; R1031-D1033 PolarHBondContact O-N 2.81Å; R1031-M1034 HydrophobicContact CB-CB 4.3Å; R1031-M1034 HydrophobicContact CB-CG 3.72Å; R1031-M1034 PolarHBondContact O-N 3.23Å |
| 1032 | L | 55 | Low | 69.3 | Low | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 1.1 | 175.3 | -70.8 | 149.6 | 0 | 0 | 0 | 114.6 | F990 M1028 K1076 | F990-L1032 HydrophobicContact CD1-CD2 4.25Å; F990-L1032 HydrophobicContact CE1-CD2 3.56Å; F990-L1032 HydrophobicContact CZ-CD2 4.05Å; M1028-L1032 HydrophobicContact CE-CD2 3.73Å; L1032-K1076 HydrophobicContact CB-CB 3.92Å; L1032-K1076 HydrophobicContact CB-CD 3.84Å; L1032-K1076 HydrophobicContact CB-CG 3.82Å; L1032-K1076 HydrophobicContact CD1-CB 4.19Å; L1032-K1076 HydrophobicContact CD1-CD 3.79Å; L1032-K1076 HydrophobicContact CD1-CG 4.37Å; L1032-K1076 HydrophobicContact CG-CD 4.45Å |
| 1033 | D | 62.5 | Low | 69.1 | Low | 32 Ų | 32 | 35.4 Ų | 35.4 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -17 | 178.7 | -54.1 | 74.3 | 0 | 0 | 0 | 112.1 | R1031 L1051 T1052 K1076 | R1031-D1033 PolarHBondContact O-N 2.81Å; D1033-L1051 WeakPolarHBondContact O-CB 3.45Å; D1033-L1051 PolarHBondContact O-N 2.88Å; D1033-T1052 WeakPolarHBondContact CB-OG1 3.48Å; D1033-T1052 PolarHBondContact OD2-OG1 2.55Å; D1033-K1076 WeakPolarHBondContact OD1-CE 3.4Å; D1033-K1076 IonicContact OD1-NZ 2.56Å |
| 1034 | M | 67 | Low | 69.1 | Low | 32 Ų | 32 | 36.3 Ų | 36.3 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.5 | -168.6 | -62.9 | -70.9 | -65.2 | 0 | 0 | 111.4 | G1029 R1031 Q1048 D1050 | G1029-M1034 PolarHBondContact N-O 3.04Å; R1031-M1034 HydrophobicContact CB-CB 4.3Å; R1031-M1034 HydrophobicContact CB-CG 3.72Å; R1031-M1034 PolarHBondContact O-N 3.23Å; M1034-Q1048 HydrophobicContact CE-CB 3.71Å; M1034-D1050 HydrophobicContact CE-CB 4.41Å; M1034-D1050 HydrophobicContact SD-CB 3.54Å; M1034-D1050 VanDerWaalsContact SD-CB 3.54Å |
| 1035 | L | 73.7 | Confident | 68.9 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120 | 168.9 | 179 | 67.3 | 0 | 0 | 0 | 110.2 | A1026 I1049 L1051 I1081 L1110 I1112 | A1026-L1035 HydrophobicContact CB-CD1 4.4Å; L1035-I1049 HydrophobicContact CB-CB 4.23Å; L1035-I1049 PolarHBondContact N-O 2.92Å; L1035-I1049 PolarHBondContact O-N 2.99Å; L1035-L1051 HydrophobicContact CB-CD1 3.87Å; L1035-L1051 HydrophobicContact CB-CG 4.03Å; L1035-I1081 HydrophobicContact CD1-CD1 3.4Å; L1035-I1081 VanDerWaalsContact CD1-CD1 3.4Å; L1035-I1081 HydrophobicContact CD2-CD1 4.07Å; L1035-I1081 HydrophobicContact CG-CD1 4.4Å; L1035-L1110 HydrophobicContact CD2-CD2 4.46Å; L1035-I1112 HydrophobicContact CD2-CD1 3.39Å; L1035-I1112 HydrophobicContact CD2-CG1 3.92Å |
| 1036 | T | 73.9 | Confident | 68.5 | Low | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117 | -179.7 | 28.9 | 0 | 0 | 0 | 0 | 110.7 | A1026 Y1027 Q1048 | A1026-T1036 WeakPolarHBondContact CA-O 3.44Å; Y1027-T1036 WeakPolarHBondContact CD2-OG1 3.32Å; Y1027-T1036 WeakPolarHBondContact CE2-OG1 3.29Å; Y1027-T1036 PolarHBondContact N-O 3.46Å; Y1027-T1036 PolarHBondContact O-N 2.91Å; Y1027-T1036 PolarHBondContact O-OG1 3.29Å; T1036-Q1048 HydrophobicContact CG2-CB 4.39Å; T1036-Q1048 HydrophobicContact CG2-CG 3.9Å |
| 1037 | I | 75.8 | Confident | 68.4 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.3 | 168.6 | -56.8 | -179.3 | 0 | 0 | 0 | 108.1 | Y1024 I1025 A1026 T1045 V1046 Q1047 I1049 L1110 L1124 | Y1024-I1037 HydrophobicContact CD1-CG2 4.39Å; I1025-I1037 WeakPolarHBondContact O-CA 3.43Å; A1026-I1037 HydrophobicContact CB-CG1 4.44Å; I1037-T1045 CarbonylContact O-C 3.15Å; I1037-V1046 PolarHBondContact O-N 3Å; I1037-Q1047 HydrophobicContact CB-CB 4.48Å; I1037-Q1047 PolarHBondContact N-O 3.41Å; I1037-Q1047 PolarHBondContact O-N 2.99Å; I1037-Q1047 VanDerWaalsContact O-N 3.15Å; I1037-I1049 HydrophobicContact CD1-CD1 3.53Å; I1037-I1049 HydrophobicContact CG1-CD1 4.17Å; I1037-L1110 HydrophobicContact CD1-CD2 3.6Å; I1037-L1110 HydrophobicContact CG1-CD2 4.19Å; I1037-L1124 HydrophobicContact CD1-CD2 4.25Å; I1037-L1124 HydrophobicContact CG2-CD2 3.93Å |
| 1038 | A | 78.3 | Confident | 68.5 | Low | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1024 I1025 Y1027 A1043 L1044 | Y1024-A1038 WeakPolarHBondContact CA-O 3.45Å; I1025-A1038 HydrophobicContact CG2-CB 3.88Å; I1025-A1038 PolarHBondContact N-O 2.85Å; I1025-A1038 PolarHBondContact O-N 2.67Å; Y1027-A1038 HydrophobicContact CE1-CB 3.95Å; A1038-A1043 WeakPolarHBondContact CB-O 3.16Å; A1038-L1044 VanDerWaalsContact CA-O 3.29Å; A1038-L1044 WeakPolarHBondContact CA-O 3.33Å; A1038-L1044 WeakPolarHBondContact CB-O 3.28Å |
| 1039 | K | 74.2 | Confident | 68.7 | Low | 112 Ų | 112 | 47.7 Ų | 47.7 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130.2 | 167.5 | -63.2 | -164.4 | 175.2 | -171.3 | 0 | 109 | V1041 A1043 L1044 V1046 | K1039-V1041 PolarHBondContact O-N 2.94Å; K1039-A1043 VanDerWaalsContact O-CA 3.29Å; K1039-A1043 WeakPolarHBondContact O-CA 3.11Å; K1039-A1043 PolarHBondContact O-N 2.88Å; K1039-L1044 PolarHBondContact N-O 3.07Å; K1039-V1046 HydrophobicContact CB-CG2 4.49Å; K1039-V1046 HydrophobicContact CG-CG2 3.47Å; K1039-V1046 VanDerWaalsContact CG-CG2 3.47Å |
| 1040 | G | 67.8 | Low | 69.6 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -53.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y953 L1023 | Y953-G1040 WeakPolarHBondContact CE1-O 3.16Å; Y953-G1040 WeakPolarHBondContact OH-CA 3.36Å; Y953-G1040 PolarHBondContact OH-O 2.99Å; L1023-G1040 PolarHBondContact O-N 3.41Å |
| 1041 | V | 71.8 | Confident | 70.6 | Confident | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -36.2 | -173 | -175.3 | 0 | 0 | 0 | 0 | 114 | Y951 I980 K1039 | Y951-V1041 HydrophobicContact CE1-CG1 4.12Å; Y951-V1041 HydrophobicContact CE1-CG2 4.35Å; Y951-V1041 HydrophobicContact CE2-CG2 3.95Å; I980-V1041 HydrophobicContact CD1-CG1 4.21Å; K1039-V1041 PolarHBondContact O-N 2.94Å |
| 1042 | S | 71.3 | Confident | 71.6 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -4.4 | -174.4 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | L1044 | S1042-L1044 PolarHBondContact O-N 3.3Š|
| 1043 | A | 66.9 | Low | 72.5 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | trans | 50.7 | 7.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | V963 L983 A1038 K1039 T1045 | V963-A1043 HydrophobicContact CG2-CB 4.14Å; L983-A1043 HydrophobicContact CD1-CB 3.62Å; L983-A1043 WeakPolarHBondContact CD1-O 3.28Å; L983-A1043 HydrophobicContact CG-CB 4.3Å; A1038-A1043 WeakPolarHBondContact CB-O 3.16Å; K1039-A1043 VanDerWaalsContact O-CA 3.29Å; K1039-A1043 WeakPolarHBondContact O-CA 3.11Å; K1039-A1043 PolarHBondContact O-N 2.88Å; A1043-T1045 PolarHBondContact O-N 2.83Å | ||
| 1044 | L | 71.8 | Confident | 73.1 | Confident | 115 Ų | 115 | 43.2 Ų | 43.2 | 60% | 0.602 | 22% | 0.222 | S | C | * | . | trans | -61.6 | 120.4 | 176 | -66.9 | 176.3 | 0 | 0 | 0 | 109.5 | A1038 K1039 S1042 V1046 | A1038-L1044 VanDerWaalsContact CA-O 3.29Å; A1038-L1044 WeakPolarHBondContact CA-O 3.33Å; A1038-L1044 WeakPolarHBondContact CB-O 3.28Å; K1039-L1044 PolarHBondContact N-O 3.07Å; S1042-L1044 PolarHBondContact O-N 3.3Å; L1044-V1046 PolarHBondContact O-N 2.81Å; L1044-V1046 VanDerWaalsContact O-N 3.14Å | ||
| 1045 | T | 72.9 | Confident | 73.3 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 39% | 0.387 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 113.4 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | I1037 A1043 | I1037-T1045 CarbonylContact O-C 3.15Å; A1043-T1045 PolarHBondContact O-N 2.83Å |
| 1046 | V | 73.8 | Confident | 73 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -45.3 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | Y1024 I1037 K1039 L1044 | Y1024-V1046 HydrophobicContact CE1-CG2 4.41Å; I1037-V1046 PolarHBondContact O-N 3Å; K1039-V1046 HydrophobicContact CB-CG2 4.49Å; K1039-V1046 HydrophobicContact CG-CG2 3.47Å; K1039-V1046 VanDerWaalsContact CG-CG2 3.47Å; L1044-V1046 PolarHBondContact O-N 2.81Å; L1044-V1046 VanDerWaalsContact O-N 3.14Å |
| 1047 | Q | 74.3 | Confident | 73 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.8 | -177.6 | -166 | 175.4 | 19.5 | 0 | 0 | 109.3 | I1037 I1049 N1127 | I1037-Q1047 HydrophobicContact CB-CB 4.48Å; I1037-Q1047 PolarHBondContact N-O 3.41Å; I1037-Q1047 PolarHBondContact O-N 2.99Å; I1037-Q1047 VanDerWaalsContact O-N 3.15Å; Q1047-I1049 HydrophobicContact CG-CD1 4.49Å; Q1047-I1049 HydrophobicContact CG-CG1 3.89Å; Q1047-N1127 PolarHBondContact NE2-O 2.78Å; Q1047-N1127 PolarHBondContact OE1-OD1 3.16Å |
| 1048 | Q | 76.5 | Confident | 72.7 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.9 | 164.6 | -48.7 | -157.6 | -27.4 | 0 | 0 | 108.1 | M1034 T1036 | M1034-Q1048 HydrophobicContact CE-CB 3.71Å; T1036-Q1048 HydrophobicContact CG2-CB 4.39Å; T1036-Q1048 HydrophobicContact CG2-CG 3.9Å |
| 1049 | I | 72.9 | Confident | 72.4 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 99.5 | -173.8 | -62.5 | -179.2 | 0 | 0 | 0 | 107 | L1035 I1037 Q1047 L1051 L1054 F1122 | L1035-I1049 HydrophobicContact CB-CB 4.23Å; L1035-I1049 PolarHBondContact N-O 2.92Å; L1035-I1049 PolarHBondContact O-N 2.99Å; I1037-I1049 HydrophobicContact CD1-CD1 3.53Å; I1037-I1049 HydrophobicContact CG1-CD1 4.17Å; Q1047-I1049 HydrophobicContact CG-CD1 4.49Å; Q1047-I1049 HydrophobicContact CG-CG1 3.89Å; I1049-L1051 HydrophobicContact CG2-CD2 4.48Å; I1049-L1051 PolarHBondContact O-N 2.63Å; I1049-L1051 VanDerWaalsContact O-N 3.08Å; I1049-L1054 HydrophobicContact CG2-CD1 3.29Å; I1049-L1054 HydrophobicContact CG2-CG 4.33Å; I1049-F1122 HydrophobicContact CD1-CD1 4.16Å; I1049-F1122 HydrophobicContact CD1-CE1 3.81Å; I1049-F1122 HydrophobicContact CD1-CZ 4.25Å; I1049-F1122 HydrophobicContact CG2-CE1 4.29Å; I1049-F1122 HydrophobicContact CG2-CZ 4.04Å |
| 1050 | D | 76.5 | Confident | 71.3 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 33% | 0.326 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 102.8 | 173.1 | -175.4 | -21.8 | 0 | 0 | 0 | 108.9 | M1034 T1052 Y1053 L1054 | M1034-D1050 HydrophobicContact CE-CB 4.41Å; M1034-D1050 HydrophobicContact SD-CB 3.54Å; M1034-D1050 VanDerWaalsContact SD-CB 3.54Å; D1050-T1052 VanDerWaalsContact C-N 3.32Å; D1050-T1052 WeakPolarHBondContact OD1-CA 3.43Å; D1050-T1052 WeakPolarHBondContact OD1-CB 3.16Å; D1050-T1052 PolarHBondContact OD1-N 2.92Å; D1050-T1052 VanDerWaalsContact OD1-N 3.07Å; D1050-Y1053 VanDerWaalsContact CG-CB 3.41Å; D1050-Y1053 PolarHBondContact O-N 2.8Å; D1050-Y1053 PolarHBondContact OD1-N 3.21Å; D1050-L1054 WeakPolarHBondContact O-CG 3.47Å; D1050-L1054 PolarHBondContact O-N 2.82Å |
| 1051 | L | 74.9 | Confident | 70.7 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.4 | -32.2 | -179.8 | -72.2 | 169.4 | 0 | 0 | 0 | 111.3 | D1033 L1035 I1049 L1054 I1055 L1078 I1112 | D1033-L1051 WeakPolarHBondContact O-CB 3.45Å; D1033-L1051 PolarHBondContact O-N 2.88Å; L1035-L1051 HydrophobicContact CB-CD1 3.87Å; L1035-L1051 HydrophobicContact CB-CG 4.03Å; I1049-L1051 HydrophobicContact CG2-CD2 4.48Å; I1049-L1051 PolarHBondContact O-N 2.63Å; I1049-L1051 VanDerWaalsContact O-N 3.08Å; L1051-L1054 HydrophobicContact CD2-CD1 4.4Å; L1051-L1054 PolarHBondContact O-N 2.76Å; L1051-I1055 WeakPolarHBondContact O-CB 3.44Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.3Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.34Å; L1051-I1055 PolarHBondContact O-N 3.08Å; L1051-L1078 HydrophobicContact CD1-CD1 3.55Å; L1051-L1078 HydrophobicContact CD1-CD2 3.77Å; L1051-L1078 HydrophobicContact CD1-CG 3.72Å; L1051-I1112 HydrophobicContact CD2-CG2 4.29Å |
| 1052 | T | 71.3 | Confident | 69.6 | Low | 26 Ų | 26 | 59.1 Ų | 59.1 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 173.9 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | D1033 D1050 L1054 I1055 L1056 | D1033-T1052 WeakPolarHBondContact CB-OG1 3.48Å; D1033-T1052 PolarHBondContact OD2-OG1 2.55Å; D1050-T1052 VanDerWaalsContact C-N 3.32Å; D1050-T1052 WeakPolarHBondContact OD1-CA 3.43Å; D1050-T1052 WeakPolarHBondContact OD1-CB 3.16Å; D1050-T1052 PolarHBondContact OD1-N 2.92Å; D1050-T1052 VanDerWaalsContact OD1-N 3.07Å; T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 2.89Å; T1052-I1055 PolarHBondContact O-N 2.57Å; T1052-L1056 HydrophobicContact CG2-CD1 3.96Å; T1052-L1056 WeakPolarHBondContact O-CB 3.22Å; T1052-L1056 WeakPolarHBondContact O-CD1 3.46Å; T1052-L1056 WeakPolarHBondContact O-CG 3.25Å; T1052-L1056 PolarHBondContact O-N 2.83Å |
| 1053 | Y | 75.4 | Confident | 68.2 | Low | 130 Ų | 130 | 63.3 Ų | 63.3 | 51% | 0.51 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 170 | 173.2 | -103.5 | 0 | 0 | 0 | 112.6 | D1050 K1057 | D1050-Y1053 VanDerWaalsContact CG-CB 3.41Å; D1050-Y1053 PolarHBondContact O-N 2.8Å; D1050-Y1053 PolarHBondContact OD1-N 3.21Å; Y1053-K1057 HydrophobicContact CE1-CD 3.73Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.47Å; Y1053-K1057 PolarHBondContact O-N 3.18Å |
| 1054 | L | 73.4 | Confident | 66.8 | Low | 17 Ų | 17 | 68.9 Ų | 68.9 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.4 | -40.8 | 178.1 | -73 | 178.9 | 0 | 0 | 0 | 114 | I1049 D1050 L1051 T1052 L1056 K1057 H1058 F1122 M1129 | I1049-L1054 HydrophobicContact CG2-CD1 3.29Å; I1049-L1054 HydrophobicContact CG2-CG 4.33Å; D1050-L1054 WeakPolarHBondContact O-CG 3.47Å; D1050-L1054 PolarHBondContact O-N 2.82Å; L1051-L1054 HydrophobicContact CD2-CD1 4.4Å; L1051-L1054 PolarHBondContact O-N 2.76Å; T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 2.89Å; L1054-L1056 VanDerWaalsContact C-N 3.3Å; L1054-K1057 HydrophobicContact CD2-CD 4.43Å; L1054-K1057 PolarHBondContact O-N 3.08Å; L1054-H1058 WeakPolarHBondContact O-CB 3.12Å; L1054-H1058 PolarHBondContact O-CD2 3.2Å; L1054-H1058 VanDerWaalsContact O-CD2 3.3Å; L1054-H1058 PolarHBondContact O-N 2.99Å; L1054-F1122 HydrophobicContact CD1-CE1 4.28Å; L1054-F1122 HydrophobicContact CD1-CZ 3.59Å; L1054-M1129 HydrophobicContact CB-CE 4.42Å; L1054-M1129 HydrophobicContact CD1-CE 3.64Å; L1054-M1129 HydrophobicContact CD2-CE 3.8Å; L1054-M1129 HydrophobicContact CG-CE 4.18Å |
| 1055 | I | 71 | Confident | 64.8 | Low | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.7 | -67.4 | 162 | 0 | 0 | 0 | 108.5 | L1051 T1052 K1057 F1059 T1114 F1120 | L1051-I1055 WeakPolarHBondContact O-CB 3.44Å; L1051-I1055 WeakPolarHBondContact O-CD1 3.3Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.34Å; L1051-I1055 PolarHBondContact O-N 3.08Å; T1052-I1055 PolarHBondContact O-N 2.57Å; I1055-K1057 VanDerWaalsContact C-N 3.32Å; I1055-K1057 PolarHBondContact O-N 2.84Å; I1055-F1059 CarbonylContact O-C 3.58Å; I1055-F1059 WeakPolarHBondContact O-CA 3.33Å; I1055-F1059 WeakPolarHBondContact O-CB 3.26Å; I1055-F1059 PolarHBondContact O-N 2.91Å; I1055-T1114 HydrophobicContact CD1-CG2 4.3Å; I1055-F1120 HydrophobicContact CG1-CE2 4.48Å; I1055-F1120 HydrophobicContact CG1-CZ 3.97Å |
| 1056 | L | 69.4 | Low | 62.9 | Low | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -27.8 | 174.7 | -65.4 | 171.5 | 0 | 0 | 0 | 113.9 | T1052 L1054 P1060 Q1063 | T1052-L1056 HydrophobicContact CG2-CD1 3.96Å; T1052-L1056 WeakPolarHBondContact O-CB 3.22Å; T1052-L1056 WeakPolarHBondContact O-CD1 3.46Å; T1052-L1056 WeakPolarHBondContact O-CG 3.25Å; T1052-L1056 PolarHBondContact O-N 2.83Å; L1054-L1056 VanDerWaalsContact C-N 3.3Å; L1056-P1060 WeakPolarHBondContact O-CA 3.29Å; L1056-P1060 VanDerWaalsContact O-CB 3.29Å; L1056-P1060 WeakPolarHBondContact O-CB 3.33Å; L1056-Q1063 VanDerWaalsContact CD2-CD 3.47Å; L1056-Q1063 HydrophobicContact CD2-CG 3.63Å |
| 1057 | K | 73.5 | Confident | 60.9 | Low | 114 Ų | 114 | 74.1 Ų | 74.1 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -84.6 | -31.8 | -179.8 | 179.2 | 177.5 | -178.8 | 173.8 | 0 | 113.7 | Y1053 L1054 I1055 | Y1053-K1057 HydrophobicContact CE1-CD 3.73Å; Y1053-K1057 WeakPolarHBondContact O-CB 3.47Å; Y1053-K1057 PolarHBondContact O-N 3.18Å; L1054-K1057 HydrophobicContact CD2-CD 4.43Å; L1054-K1057 PolarHBondContact O-N 3.08Å; I1055-K1057 VanDerWaalsContact C-N 3.32Å; I1055-K1057 PolarHBondContact O-N 2.84Å |
| 1058 | H | 70.1 | Confident | 58.6 | Low | 43 Ų | 43 | 77.6 Ų | 77.6 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -112.4 | -21.8 | -173.6 | -63 | -63.9 | 0 | 0 | 0 | 113.8 | L1054 P1060 | L1054-H1058 WeakPolarHBondContact O-CB 3.12Å; L1054-H1058 PolarHBondContact O-CD2 3.2Å; L1054-H1058 VanDerWaalsContact O-CD2 3.3Å; L1054-H1058 PolarHBondContact O-N 2.99Å; H1058-P1060 VanDerWaalsContact C-CD 3.43Å |
| 1059 | F | 70.2 | Confident | 56.5 | Low | 22 Ų | 22 | 75.7 Ų | 75.7 | 10% | 0.096 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -132.5 | 46.1 | 176.4 | -55.3 | -85.3 | 0 | 0 | 0 | 112.2 | I1055 N1061 N1062 Y1118 F1120 C1132 A1133 E1134 | I1055-F1059 CarbonylContact O-C 3.58Å; I1055-F1059 WeakPolarHBondContact O-CA 3.33Å; I1055-F1059 WeakPolarHBondContact O-CB 3.26Å; I1055-F1059 PolarHBondContact O-N 2.91Å; F1059-N1061 PolarHBondContact O-N 2.87Å; F1059-N1061 VanDerWaalsContact O-N 3.1Å; F1059-N1062 PolarHBondContact O-N 2.86Å; F1059-Y1118 HydrophobicContact CB-CD1 4.43Å; F1059-Y1118 HydrophobicContact CB-CE1 4.15Å; F1059-Y1118 AromaticContact CD1-CD1 3.83Å; F1059-Y1118 HydrophobicContact CD1-CD1 3.83Å; F1059-Y1118 AromaticContact CD1-CE1 3.83Å; F1059-Y1118 HydrophobicContact CD1-CE1 3.83Å; F1059-Y1118 AromaticContact CD2-CD1 3.71Å; F1059-Y1118 HydrophobicContact CD2-CD1 3.71Å; F1059-Y1118 HydrophobicContact CD2-CE1 4.27Å; F1059-Y1118 HydrophobicContact CD2-CG 4.41Å; F1059-Y1118 AromaticContact CE1-CD1 3.9Å; F1059-Y1118 HydrophobicContact CE1-CD1 3.9Å; F1059-Y1118 HydrophobicContact CE1-CE1 4.26Å; F1059-Y1118 AromaticContact CE2-CD1 3.78Å; F1059-Y1118 HydrophobicContact CE2-CD1 3.78Å; F1059-Y1118 HydrophobicContact CE2-CG 4.42Å; F1059-Y1118 AromaticContact CG-CD1 3.74Å; F1059-Y1118 HydrophobicContact CG-CD1 3.74Å; F1059-Y1118 AromaticContact CG-CE1 3.84Å; F1059-Y1118 HydrophobicContact CG-CE1 3.84Å; F1059-Y1118 AromaticContact CZ-CD1 3.87Å; F1059-Y1118 HydrophobicContact CZ-CD1 3.87Å; F1059-F1120 HydrophobicContact CD2-CE1 4.24Å; F1059-F1120 HydrophobicContact CD2-CZ 4.21Å; F1059-F1120 AromaticContact CE2-CE1 3.67Å; F1059-F1120 HydrophobicContact CE2-CE1 3.67Å; F1059-F1120 AromaticContact CE2-CZ 3.83Å; F1059-F1120 HydrophobicContact CE2-CZ 3.83Å; F1059-C1132 HydrophobicContact CE2-CB 4.27Å; F1059-C1132 HydrophobicContact CZ-CB 4.24Å; F1059-A1133 WeakPolarHBondContact CZ-O 3.28Å; F1059-E1134 HydrophobicContact CE1-CB 4.19Å |
| 1060 | P | 52 | Low | 54.7 | Low | 67 Ų | 67 | 84.1 Ų | 84.1 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -54.6 | -34.3 | -172.3 | 18.3 | -31.5 | 0 | 0 | 0 | 114.7 | L1056 H1058 N1062 | L1056-P1060 WeakPolarHBondContact O-CA 3.29Å; L1056-P1060 VanDerWaalsContact O-CB 3.29Å; L1056-P1060 WeakPolarHBondContact O-CB 3.33Å; H1058-P1060 VanDerWaalsContact C-CD 3.43Å; P1060-N1062 PolarHBondContact O-N 2.91Å |
| 1061 | N | 54.4 | Low | 52.6 | Low | 124 Ų | 124 | 87.7 Ų | 87.7 | 66% | 0.663 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -74 | -7.2 | -168.9 | -65.3 | 4.9 | 0 | 0 | 0 | 114.1 | F1059 Q1063 | F1059-N1061 PolarHBondContact O-N 2.87Å; F1059-N1061 VanDerWaalsContact O-N 3.1Å; N1061-Q1063 VanDerWaalsContact C-N 3.34Å |
| 1062 | N | 49.8 | Very low | 50.7 | Low | 78 Ų | 78 | 93.6 Ų | 93.6 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -89.7 | 6.5 | -178.4 | -66.5 | -4.6 | 0 | 0 | 0 | 113.4 | F1059 P1060 T1064 Y1118 E1134 | F1059-N1062 PolarHBondContact O-N 2.86Å; P1060-N1062 PolarHBondContact O-N 2.91Å; N1062-T1064 VanDerWaalsContact C-N 3.34Å; N1062-T1064 PolarHBondContact O-N 3.33Å; N1062-Y1118 PolarHBondContact ND2-OH 3.02Å; N1062-E1134 PolarHBondContact ND2-OE1 3Å |
| 1063 | Q | 40.4 | Very low | 49 | Very low | 130 Ų | 130 | 97.6 Ų | 97.6 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | trans | -72.3 | 84.3 | 165.7 | -76.6 | -149.2 | -41.4 | 0 | 0 | 111.6 | L1056 N1061 E1065 | L1056-Q1063 VanDerWaalsContact CD2-CD 3.47Å; L1056-Q1063 HydrophobicContact CD2-CG 3.63Å; N1061-Q1063 VanDerWaalsContact C-N 3.34Å; Q1063-E1065 PolarHBondContact O-N 2.93Å | ||
| 1064 | T | 37.9 | Very low | 47.4 | Very low | 118 Ų | 118 | 96.8 Ų | 96.8 | 72% | 0.724 | 53% | 0.527 | S | S | * | . | trans | -68.5 | 116.1 | 172.4 | 52 | 0 | 0 | 0 | 0 | 111.7 | N1062 S1066 | N1062-T1064 VanDerWaalsContact C-N 3.34Å; N1062-T1064 PolarHBondContact O-N 3.33Å; T1064-S1066 PolarHBondContact O-N 2.82Å; T1064-S1066 PolarHBondContact O-OG 3.35Å | ||
| 1065 | E | 29.4 | Very low | 45.7 | Very low | 150 Ų | 150 | 100 Ų | 100 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | trans | -56 | 101.4 | -176 | -63.5 | 176.6 | -163.7 | 0 | 0 | 113.2 | Q1063 F1335 | Q1063-E1065 PolarHBondContact O-N 2.93Å; E1065-F1335 HydrophobicContact CB-CE1 4.44Å; E1065-F1335 HydrophobicContact CG-CE1 3.86Å; E1065-F1335 HydrophobicContact CG-CZ 3.75Å; E1065-F1335 WeakPolarHBondContact OE1-CE2 3.4Å; E1065-F1335 WeakPolarHBondContact OE1-CZ 3.47Å; E1065-F1335 WeakPolarHBondContact OE2-CE1 3.05Å; E1065-F1335 WeakPolarHBondContact OE2-CZ 3.11Å | ||
| 1066 | S | 34.4 | Very low | 44.3 | Very low | 97 Ų | 97 | 100.2 Ų | 100.2 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | trans | -135.3 | 93.6 | 179.5 | 39.4 | 0 | 0 | 0 | 0 | 111.2 | T1064 | T1064-S1066 PolarHBondContact O-N 2.82Å; T1064-S1066 PolarHBondContact O-OG 3.35Å | ||
| 1067 | T | 30.9 | Very low | 43.6 | Very low | 100 Ų | 100 | 98.8 Ų | 98.8 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | trans | 10.6 | 110.5 | 168.6 | 52.1 | 0 | 0 | 0 | 0 | 118.4 | S1069 | T1067-S1069 PolarHBondContact O-N 2.85Š| ||
| 1068 | L | 26.7 | Very low | 42.6 | Very low | 127 Ų | 127 | 94 Ų | 94 | 67% | 0.665 | 52% | 0.519 | S | S | * | . | trans | -61.7 | 100.3 | 166.2 | -67 | 90.6 | 0 | 0 | 0 | 111.4 | ||||
| 1069 | S | 31.6 | Very low | 42 | Very low | 70 Ų | 70 | 95 Ų | 95 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | trans | -90.7 | 164.6 | 142.9 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | T1067 D1071 | T1067-S1069 PolarHBondContact O-N 2.85Å; S1069-D1071 PolarHBondContact O-N 2.64Å; S1069-D1071 VanDerWaalsContact O-N 3.08Å | ||
| 1070 | Q | 36.2 | Very low | 41.7 | Very low | 186 Ų | 186 | 95.9 Ų | 95.9 | 87% | 0.869 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -80.6 | 13.1 | -160.5 | -65.5 | -173.5 | -84.2 | 0 | 0 | 115.9 | N1072 | Q1070-N1072 PolarHBondContact O-N 2.82Š|
| 1071 | D | 32.9 | Very low | 42.4 | Very low | 136 Ų | 136 | 93.2 Ų | 93.2 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | trans | -98.1 | 79.6 | -175.2 | -62 | -53.4 | 0 | 0 | 0 | 112.2 | S1069 N1073 | S1069-D1071 PolarHBondContact O-N 2.64Å; S1069-D1071 VanDerWaalsContact O-N 3.08Å; D1071-N1073 PolarHBondContact O-N 3.2Å | ||
| 1072 | N | 33.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 89.4 Ų | 89.4 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | trans | -68.7 | 46.6 | -172 | -73.8 | -28.7 | 0 | 0 | 0 | 116.3 | Q1070 K1076 | Q1070-N1072 PolarHBondContact O-N 2.82Å; N1072-K1076 PolarHBondContact O-NZ 3.18Å | ||
| 1073 | N | 35.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 86.3 Ų | 86.3 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | -129.6 | 12.6 | -166.8 | -81.6 | -25 | 0 | 0 | 0 | 117.9 | D1071 K1076 | D1071-N1073 PolarHBondContact O-N 3.2Å; N1073-K1076 HydrophobicContact CB-CD 4.36Å; N1073-K1076 WeakPolarHBondContact O-CD 3.24Å; N1073-K1076 PolarHBondContact OD1-NZ 3.4Å | ||
| 1074 | S | 41.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 81.6 Ų | 81.6 | 80% | 0.797 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -86.8 | -20.1 | -171 | 51 | 0 | 0 | 0 | 0 | 117.8 | K1076 | S1074-K1076 PolarHBondContact O-N 3.21Š|
| 1075 | I | 37.9 | Very low | 46.4 | Very low | 84 Ų | 84 | 76.8 Ų | 76.8 | 43% | 0.431 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -96.9 | 56.1 | -175.3 | -44.8 | 177.8 | 0 | 0 | 0 | 111.1 | ||
| 1076 | K | 43 | Very low | 47.6 | Very low | 33 Ų | 33 | 72.9 Ų | 72.9 | 14% | 0.143 | 40% | 0.402 | C | S | . | . | trans | -138 | 57.8 | -156.4 | -66 | -172.8 | 173.4 | 174.1 | 0 | 116.9 | R1012 L1032 D1033 N1072 N1073 S1074 | R1012-K1076 PolarHBondContact NH1-O 3.31Å; L1032-K1076 HydrophobicContact CB-CB 3.92Å; L1032-K1076 HydrophobicContact CB-CD 3.84Å; L1032-K1076 HydrophobicContact CB-CG 3.82Å; L1032-K1076 HydrophobicContact CD1-CB 4.19Å; L1032-K1076 HydrophobicContact CD1-CD 3.79Å; L1032-K1076 HydrophobicContact CD1-CG 4.37Å; L1032-K1076 HydrophobicContact CG-CD 4.45Å; D1033-K1076 WeakPolarHBondContact OD1-CE 3.4Å; D1033-K1076 IonicContact OD1-NZ 2.56Å; N1072-K1076 PolarHBondContact O-NZ 3.18Å; N1073-K1076 HydrophobicContact CB-CD 4.36Å; N1073-K1076 WeakPolarHBondContact O-CD 3.24Å; N1073-K1076 PolarHBondContact OD1-NZ 3.4Å; S1074-K1076 PolarHBondContact O-N 3.21Å | ||
| 1077 | S | 54.2 | Low | 48 | Very low | 40 Ų | 40 | 72.4 Ų | 72.4 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | trans | -158.3 | 112.4 | 159.3 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | S1115 | S1077-S1115 WeakPolarHBondContact O-CB 3.41Å; S1077-S1115 PolarHBondContact O-N 3.32Å; S1077-S1115 PolarHBondContact O-OG 3.06Å; S1077-S1115 WeakPolarHBondContact OG-CB 3.38Å; S1077-S1115 PolarHBondContact OG-OG 3.42Å | ||
| 1078 | L | 52.2 | Low | 48.6 | Very low | 14 Ų | 14 | 72.4 Ų | 72.4 | 7% | 0.073 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 153.9 | 146.4 | -83.1 | 165.5 | 0 | 0 | 0 | 109.8 | I1015 M1028 L1051 I1081 I1112 T1114 | I1015-L1078 HydrophobicContact CD1-CB 3.53Å; I1015-L1078 VanDerWaalsContact CD1-O 3.24Å; I1015-L1078 WeakPolarHBondContact CD1-O 3.5Å; M1028-L1078 HydrophobicContact CB-CD1 4.46Å; M1028-L1078 HydrophobicContact CG-CD1 4.45Å; M1028-L1078 HydrophobicContact SD-CD1 3.81Å; M1028-L1078 HydrophobicContact SD-CG 4.45Å; L1051-L1078 HydrophobicContact CD1-CD1 3.55Å; L1051-L1078 HydrophobicContact CD1-CD2 3.77Å; L1051-L1078 HydrophobicContact CD1-CG 3.72Å; L1078-I1081 HydrophobicContact CD1-CD1 3.7Å; L1078-I1081 HydrophobicContact CD1-CG1 4.48Å; L1078-I1081 HydrophobicContact CD2-CD1 4.28Å; L1078-I1081 HydrophobicContact CD2-CG1 4.34Å; L1078-I1112 HydrophobicContact CD2-CG2 3.51Å; L1078-T1114 HydrophobicContact CD2-CG2 4.34Å |
| 1079 | N | 58.2 | Low | 49.2 | Very low | 65 Ų | 65 | 75.8 Ų | 75.8 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -29.5 | 170.1 | -89.7 | 20.9 | 0 | 0 | 0 | 113.6 | I1015 C1113 S1115 I1147 | I1015-N1079 VanDerWaalsContact CD1-C 3.42Å; N1079-C1113 PolarHBondContact N-O 3.39Å; N1079-C1113 VanDerWaalsContact N-O 3.17Å; N1079-S1115 WeakPolarHBondContact OD1-CB 3.49Å; N1079-I1147 PolarHBondContact ND2-O 2.96Å |
| 1080 | F | 63.4 | Low | 49.3 | Very low | 39 Ų | 39 | 77.9 Ų | 77.9 | 17% | 0.171 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.2 | -174 | 177 | -94.8 | 0 | 0 | 0 | 112.5 | Q1082 C1113 V1150 | F1080-Q1082 HydrophobicContact CE1-CB 3.65Å; F1080-Q1082 HydrophobicContact CZ-CB 3.59Å; F1080-Q1082 HydrophobicContact CZ-CG 4.47Å; F1080-C1113 HydrophobicContact CB-CB 4.17Å; F1080-C1113 HydrophobicContact CD1-CB 4.31Å; F1080-C1113 PolarHBondContact N-O 3.09Å; F1080-C1113 PolarHBondContact O-N 2.84Å; F1080-C1113 VanDerWaalsContact O-O 3.11Å; F1080-V1150 HydrophobicContact CB-CB 4.27Å; F1080-V1150 HydrophobicContact CB-CG2 3.88Å; F1080-V1150 HydrophobicContact CD1-CB 3.8Å; F1080-V1150 HydrophobicContact CD1-CG1 3.95Å; F1080-V1150 HydrophobicContact CD1-CG2 4.21Å; F1080-V1150 HydrophobicContact CD2-CB 3.89Å; F1080-V1150 HydrophobicContact CD2-CG2 4.35Å; F1080-V1150 HydrophobicContact CE1-CB 3.98Å; F1080-V1150 HydrophobicContact CE1-CG1 3.91Å; F1080-V1150 HydrophobicContact CE2-CB 4.06Å; F1080-V1150 WeakPolarHBondContact CE2-O 3.43Å; F1080-V1150 HydrophobicContact CG-CB 3.73Å; F1080-V1150 HydrophobicContact CG-CG1 4.4Å; F1080-V1150 HydrophobicContact CG-CG2 3.92Å; F1080-V1150 HydrophobicContact CZ-CB 4.08Å; F1080-V1150 HydrophobicContact CZ-CG1 4.32Å |
| 1081 | I | 65.8 | Low | 49.2 | Very low | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 135.2 | 171.3 | -58.8 | -177 | 0 | 0 | 0 | 108 | I1015 T1017 L1035 L1078 L1110 F1111 I1112 | I1015-I1081 HydrophobicContact CG2-CB 3.94Å; I1015-I1081 HydrophobicContact CG2-CD1 3.86Å; I1015-I1081 HydrophobicContact CG2-CG1 3.72Å; T1017-I1081 HydrophobicContact CG2-CB 4.03Å; T1017-I1081 HydrophobicContact CG2-CG2 3.47Å; T1017-I1081 VanDerWaalsContact CG2-CG2 3.47Å; L1035-I1081 HydrophobicContact CD1-CD1 3.4Å; L1035-I1081 VanDerWaalsContact CD1-CD1 3.4Å; L1035-I1081 HydrophobicContact CD2-CD1 4.07Å; L1035-I1081 HydrophobicContact CG-CD1 4.4Å; L1078-I1081 HydrophobicContact CD1-CD1 3.7Å; L1078-I1081 HydrophobicContact CD1-CG1 4.48Å; L1078-I1081 HydrophobicContact CD2-CD1 4.28Å; L1078-I1081 HydrophobicContact CD2-CG1 4.34Å; I1081-L1110 HydrophobicContact CG2-CD1 3.33Å; I1081-L1110 HydrophobicContact CG2-CG 4.43Å; I1081-F1111 CarbonylContact C-O 3.5Å; I1081-F1111 WeakPolarHBondContact CA-O 3.44Å; I1081-F1111 WeakPolarHBondContact CG2-O 3.17Å; I1081-I1112 HydrophobicContact CD1-CG1 4.16Å; I1081-I1112 HydrophobicContact CD1-CG2 4.48Å; I1081-I1112 HydrophobicContact CG1-CB 4.38Å; I1081-I1112 HydrophobicContact CG1-CG1 4.02Å; I1081-I1112 HydrophobicContact CG1-CG2 4.22Å; I1081-I1112 HydrophobicContact CG2-CG1 3.9Å |
| 1082 | Q | 76.1 | Confident | 49.4 | Very low | 43 Ų | 43 | 78.9 Ų | 78.9 | 20% | 0.201 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 135.4 | 177.5 | 174.5 | 175.2 | 4.4 | 0 | 0 | 110.6 | F1080 F1111 | F1080-Q1082 HydrophobicContact CE1-CB 3.65Å; F1080-Q1082 HydrophobicContact CZ-CB 3.59Å; F1080-Q1082 HydrophobicContact CZ-CG 4.47Å; Q1082-F1111 PolarHBondContact N-O 2.95Å; Q1082-F1111 PolarHBondContact O-N 2.99Å |
| 1083 | F | 65.5 | Low | 49.3 | Very low | 13 Ų | 13 | 82.9 Ų | 82.9 | 6% | 0.057 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 146.6 | 164.1 | -70.9 | -77.1 | 0 | 0 | 0 | 111.4 | T1017 V1018 A1026 F1109 L1110 L1124 | T1017-F1083 HydrophobicContact CG2-CD2 3.65Å; T1017-F1083 HydrophobicContact CG2-CE2 3.75Å; T1017-F1083 WeakPolarHBondContact O-CE2 3.45Å; V1018-F1083 WeakPolarHBondContact O-CD2 3.07Å; A1026-F1083 HydrophobicContact CB-CE2 3.85Å; A1026-F1083 HydrophobicContact CB-CZ 3.74Å; F1083-F1109 CarbonylContact C-O 3.57Å; F1083-F1109 VanDerWaalsContact CA-O 3.31Å; F1083-F1109 WeakPolarHBondContact CA-O 3.48Å; F1083-L1110 HydrophobicContact CD1-CB 3.8Å; F1083-L1110 HydrophobicContact CD1-CD1 3.78Å; F1083-L1110 HydrophobicContact CD1-CG 4.31Å; F1083-L1110 HydrophobicContact CD2-CD1 4.36Å; F1083-L1110 HydrophobicContact CE1-CB 3.69Å; F1083-L1110 HydrophobicContact CE1-CD1 3.64Å; F1083-L1110 HydrophobicContact CE1-CD2 4.01Å; F1083-L1110 HydrophobicContact CE1-CG 3.98Å; F1083-L1110 HydrophobicContact CE2-CD1 4.29Å; F1083-L1110 HydrophobicContact CG-CD1 4.16Å; F1083-L1110 HydrophobicContact CZ-CD1 3.94Å; F1083-L1110 HydrophobicContact CZ-CD2 4.32Å; F1083-L1124 HydrophobicContact CD1-CD1 3.69Å; F1083-L1124 HydrophobicContact CD1-CG 4.47Å; F1083-L1124 HydrophobicContact CE1-CD1 3.37Å; F1083-L1124 HydrophobicContact CE1-CD2 3.97Å; F1083-L1124 HydrophobicContact CE1-CG 3.89Å; F1083-L1124 HydrophobicContact CZ-CD1 4.33Å |
| 1084 | Y | 68.6 | Low | 49.3 | Very low | 32 Ų | 32 | 84.5 Ų | 84.5 | 13% | 0.125 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 140.7 | 175.1 | 167.7 | -105.4 | 0 | 0 | 0 | 109.1 | E1086 F1109 F1111 N1155 G1156 | Y1084-E1086 HydrophobicContact CE1-CB 3.73Å; Y1084-E1086 HydrophobicContact CE1-CG 4.05Å; Y1084-F1109 HydrophobicContact CD1-CD2 4.21Å; Y1084-F1109 PolarHBondContact N-O 2.65Å; Y1084-F1109 WeakPolarHBondContact O-CA 3.26Å; Y1084-F1109 PolarHBondContact O-N 2.9Å; Y1084-F1111 HydrophobicContact CD1-CE2 4.43Å; Y1084-N1155 PolarHBondContact OH-O 2.76Å; Y1084-G1156 VanDerWaalsContact CZ-CA 3.47Å |
| 1085 | S | 56 | Low | 49.2 | Very low | 16 Ų | 16 | 88.1 Ų | 88.1 | 11% | 0.112 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.6 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | S1020 D1107 | S1020-S1085 VanDerWaalsContact OG-CB 3.29Å; S1020-S1085 WeakPolarHBondContact OG-CB 3.47Å; S1085-D1107 WeakPolarHBondContact CA-O 3.24Å; S1085-D1107 PolarHBondContact OG-O 2.96Å; S1085-D1107 VanDerWaalsContact OG-O 3.11Å |
| 1086 | E | 54.7 | Low | 49.2 | Very low | 68 Ų | 68 | 94.1 Ų | 94.1 | 32% | 0.318 | 46% | 0.459 | S | S | . | . | trans | -101 | 92 | -172.2 | -162.4 | 150.3 | -163.9 | 0 | 0 | 109.2 | Y1084 N1088 D1107 F1109 K1121 | Y1084-E1086 HydrophobicContact CE1-CB 3.73Å; Y1084-E1086 HydrophobicContact CE1-CG 4.05Å; E1086-N1088 PolarHBondContact O-N 3.34Å; E1086-D1107 PolarHBondContact N-O 3.12Å; E1086-F1109 HydrophobicContact CB-CD2 4.23Å; E1086-F1109 HydrophobicContact CB-CE2 3.73Å; E1086-F1109 VanDerWaalsContact OE2-CE2 3.23Å; E1086-F1109 WeakPolarHBondContact OE2-CE2 3.26Å; E1086-K1121 IonicContact OE2-NZ 2.85Å | ||
| 1087 | C | 44.6 | Very low | 48.9 | Very low | 87 Ų | 87 | 100.5 Ų | 100.5 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | trans | -65.5 | 90.5 | -175.2 | -67 | 0 | 0 | 0 | 0 | 112.5 | K1089 | C1087-K1089 VanDerWaalsContact C-N 3.31Å; C1087-K1089 PolarHBondContact O-N 2.79Å | ||
| 1088 | N | 43.3 | Very low | 47.9 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | trans | -66.5 | 81.2 | 175 | -80.3 | -46.4 | 0 | 0 | 0 | 111.8 | E1086 T1090 | E1086-N1088 PolarHBondContact O-N 3.34Å; N1088-T1090 PolarHBondContact O-N 2.74Å | ||
| 1089 | K | 38.4 | Very low | 46.9 | Very low | 198 Ų | 198 | 107.4 Ų | 107.4 | 86% | 0.861 | 55% | 0.549 | S | S | * | . | trans | -71 | 50.8 | 177.5 | -71.8 | -171.3 | 173.7 | -176.1 | 0 | 113.7 | C1087 | C1087-K1089 VanDerWaalsContact C-N 3.31Å; C1087-K1089 PolarHBondContact O-N 2.79Å | ||
| 1090 | T | 33.9 | Very low | 45.7 | Very low | 114 Ų | 114 | 109.4 Ų | 109.4 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | trans | -142.6 | 40.6 | -175 | 47 | 0 | 0 | 0 | 0 | 113.2 | N1088 | N1088-T1090 PolarHBondContact O-N 2.74Š| ||
| 1091 | K | 34.5 | Very low | 44.3 | Very low | 190 Ų | 190 | 117.4 Ų | 117.4 | 83% | 0.826 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -126.9 | 129.2 | 166.7 | -69.8 | -178.3 | -178.2 | 169.5 | 0 | 110.4 | ||
| 1092 | N | 37.1 | Very low | 42.9 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 63% | 0.632 | S | S | * | * | trans | -77.3 | 131.7 | -161.3 | -62.6 | -23.6 | 0 | 0 | 0 | 112.8 | N1094 | N1092-N1094 PolarHBondContact O-N 3.1Š| ||
| 1093 | F | 31.7 | Very low | 41.1 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 94% | 0.943 | 66% | 0.66 | S | S | * | * | trans | -69 | 93.3 | 170 | -79.1 | -93.1 | 0 | 0 | 0 | 110.5 | ||||
| 1094 | N | 35.3 | Very low | 40 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -158.7 | 73.4 | 172.5 | -109.4 | -19.7 | 0 | 0 | 0 | 113.2 | N1092 | N1092-N1094 PolarHBondContact O-N 3.1Š| ||
| 1095 | H | 39.7 | Very low | 38.9 | Very low | 190 Ų | 190 | 136.6 Ų | 136.6 | 88% | 0.88 | 71% | 0.712 | S | S | * | * | trans | -164.2 | 126.1 | 139.1 | -111.5 | 62.6 | 0 | 0 | 0 | 111.6 | ||||
| 1096 | Y | 36.1 | Very low | 38.7 | Very low | 210 Ų | 210 | 138.7 Ų | 138.7 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -93 | 163.8 | 164.7 | -87.7 | -104.7 | 0 | 0 | 0 | 109.9 | ||||
| 1097 | N | 37.7 | Very low | 38.7 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | 93.9 | 136 | 167.8 | -49.6 | -41 | 0 | 0 | 0 | 117.1 | ||||
| 1098 | G | 33.6 | Very low | 39.8 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | trans | 97.6 | 54.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1099 | T | 31.2 | Very low | 41.2 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 83% | 0.834 | 68% | 0.676 | S | S | * | * | trans | 62 | 129 | 150.4 | 51.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1100 | S | 31.9 | Very low | 43.1 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 64% | 0.635 | S | S | * | * | trans | 72.8 | 106.7 | 157.9 | 42.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1101 | Y | 34.9 | Very low | 45.2 | Very low | 208 Ų | 208 | 116.5 Ų | 116.5 | 82% | 0.816 | 60% | 0.603 | S | S | * | * | trans | 71.2 | 103.7 | 144.5 | -76.7 | -78.7 | 0 | 0 | 0 | 122 | ||||
| 1102 | D | 36.7 | Very low | 47.2 | Very low | 143 Ų | 143 | 107.4 Ų | 107.4 | 77% | 0.765 | 56% | 0.564 | S | S | * | * | 43 | 100.5 | 129.6 | -55.4 | -8.1 | 0 | 0 | 0 | 120.2 | |||||
| 1103 | D | 38.1 | Very low | 48.9 | Very low | 149 Ų | 149 | 100.1 Ų | 100.1 | 80% | 0.797 | 52% | 0.524 | S | S | * | . | trans | -141.3 | 94.4 | 159 | -142 | -19.2 | 0 | 0 | 0 | 110.3 | N1105 | D1103-N1105 PolarHBondContact OD1-ND2 2.97Š| ||
| 1104 | S | 41.9 | Very low | 50.8 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | trans | -146.6 | 72 | -177.1 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | K1021 D1106 | K1021-S1104 PolarHBondContact NZ-O 3.32Å; S1104-D1106 PolarHBondContact O-N 2.81Å | ||
| 1105 | N | 46.5 | Very low | 52.2 | Low | 124 Ų | 124 | 83.7 Ų | 83.7 | 66% | 0.663 | 45% | 0.448 | S | S | * | . | trans | -77.4 | 117.1 | 173.3 | -62.5 | -57.4 | 0 | 0 | 0 | 109.8 | D1103 | D1103-N1105 PolarHBondContact OD1-ND2 2.97Š| ||
| 1106 | D | 52 | Low | 53.4 | Low | 60 Ų | 60 | 79.9 Ų | 79.9 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | trans | -101.5 | 143.9 | 166.3 | -72.5 | -70.2 | 0 | 0 | 0 | 107.8 | K1021 S1104 E1108 | K1021-D1106 WeakPolarHBondContact CE-OD2 3.44Å; K1021-D1106 IonicContact NZ-OD2 3.39Å; K1021-D1106 PolarHBondContact NZ-OD2 3.42Å; S1104-D1106 PolarHBondContact O-N 2.81Å; D1106-E1108 PolarHBondContact O-N 3.03Å | ||
| 1107 | D | 53.7 | Low | 55.1 | Low | 66 Ų | 66 | 69.9 Ų | 69.9 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | trans | -72.7 | 111.6 | 179.3 | -59.9 | -36.5 | 0 | 0 | 0 | 109.6 | S1085 E1086 F1109 L1125 | S1085-D1107 WeakPolarHBondContact CA-O 3.24Å; S1085-D1107 PolarHBondContact OG-O 2.96Å; S1085-D1107 VanDerWaalsContact OG-O 3.11Å; E1086-D1107 PolarHBondContact N-O 3.12Å; D1107-F1109 HydrophobicContact CB-CE1 4.15Å; D1107-F1109 HydrophobicContact CB-CE2 4.39Å; D1107-F1109 HydrophobicContact CB-CZ 3.82Å; D1107-L1125 VanDerWaalsContact OD1-CD1 3.28Å; D1107-L1125 WeakPolarHBondContact OD1-CD1 3.21Å | ||
| 1108 | E | 66.7 | Low | 57 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.028 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.2 | 173.3 | -62 | -157.7 | 112.2 | 0 | 0 | 110.7 | S1019 S1020 K1021 D1106 L1124 | S1019-E1108 WeakPolarHBondContact CB-OE1 3.27Å; S1019-E1108 WeakPolarHBondContact CB-OE2 3.45Å; S1019-E1108 VanDerWaalsContact OG-CD 3.29Å; S1019-E1108 PolarHBondContact OG-OE1 2.85Å; S1019-E1108 PolarHBondContact OG-OE2 2.87Å; S1020-E1108 WeakPolarHBondContact CA-OE1 3.29Å; S1020-E1108 WeakPolarHBondContact CB-OE1 3.15Å; S1020-E1108 PolarHBondContact N-OE1 3.1Å; S1020-E1108 PolarHBondContact OG-OE1 3.48Å; K1021-E1108 PolarHBondContact N-OE1 3.08Å; D1106-E1108 PolarHBondContact O-N 3.03Å; E1108-L1124 HydrophobicContact CB-CB 4.48Å; E1108-L1124 HydrophobicContact CB-CD1 3.57Å; E1108-L1124 WeakPolarHBondContact O-CB 3.37Å; E1108-L1124 PolarHBondContact O-N 2.91Å; E1108-L1124 VanDerWaalsContact O-N 3.11Å |
| 1109 | F | 73.3 | Confident | 59.2 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 10% | 0.101 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147.1 | 178.5 | -56.7 | -50.9 | 0 | 0 | 0 | 111.7 | F1083 Y1084 E1086 D1107 K1121 F1122 I1130 | F1083-F1109 CarbonylContact C-O 3.57Å; F1083-F1109 VanDerWaalsContact CA-O 3.31Å; F1083-F1109 WeakPolarHBondContact CA-O 3.48Å; Y1084-F1109 HydrophobicContact CD1-CD2 4.21Å; Y1084-F1109 PolarHBondContact N-O 2.65Å; Y1084-F1109 WeakPolarHBondContact O-CA 3.26Å; Y1084-F1109 PolarHBondContact O-N 2.9Å; E1086-F1109 HydrophobicContact CB-CD2 4.23Å; E1086-F1109 HydrophobicContact CB-CE2 3.73Å; E1086-F1109 VanDerWaalsContact OE2-CE2 3.23Å; E1086-F1109 WeakPolarHBondContact OE2-CE2 3.26Å; D1107-F1109 HydrophobicContact CB-CE1 4.15Å; D1107-F1109 HydrophobicContact CB-CE2 4.39Å; D1107-F1109 HydrophobicContact CB-CZ 3.82Å; F1109-K1121 HydrophobicContact CB-CG 4.45Å; F1109-F1122 CarbonylContact C-O 3.58Å; F1109-F1122 WeakPolarHBondContact CA-O 3.38Å; F1109-I1130 HydrophobicContact CD1-CD1 3.24Å; F1109-I1130 HydrophobicContact CE1-CD1 3.35Å; F1109-I1130 HydrophobicContact CG-CD1 4.18Å; F1109-I1130 HydrophobicContact CZ-CD1 4.32Å |
| 1110 | L | 79.7 | Confident | 61.5 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.3 | 177.9 | 173.6 | 58.9 | 0 | 0 | 0 | 109.8 | T1017 A1026 L1035 I1037 I1081 F1083 I1112 K1121 F1122 | T1017-L1110 HydrophobicContact CG2-CD1 4.47Å; A1026-L1110 HydrophobicContact CB-CD1 4.36Å; A1026-L1110 HydrophobicContact CB-CD2 4.32Å; L1035-L1110 HydrophobicContact CD2-CD2 4.46Å; I1037-L1110 HydrophobicContact CD1-CD2 3.6Å; I1037-L1110 HydrophobicContact CG1-CD2 4.19Å; I1081-L1110 HydrophobicContact CG2-CD1 3.33Å; I1081-L1110 HydrophobicContact CG2-CG 4.43Å; F1083-L1110 HydrophobicContact CD1-CB 3.8Å; F1083-L1110 HydrophobicContact CD1-CD1 3.78Å; F1083-L1110 HydrophobicContact CD1-CG 4.31Å; F1083-L1110 HydrophobicContact CD2-CD1 4.36Å; F1083-L1110 HydrophobicContact CE1-CB 3.69Å; F1083-L1110 HydrophobicContact CE1-CD1 3.64Å; F1083-L1110 HydrophobicContact CE1-CD2 4.01Å; F1083-L1110 HydrophobicContact CE1-CG 3.98Å; F1083-L1110 HydrophobicContact CE2-CD1 4.29Å; F1083-L1110 HydrophobicContact CG-CD1 4.16Å; F1083-L1110 HydrophobicContact CZ-CD1 3.94Å; F1083-L1110 HydrophobicContact CZ-CD2 4.32Å; L1110-I1112 HydrophobicContact CD1-CG1 4.39Å; L1110-I1112 HydrophobicContact CD2-CD1 4.11Å; L1110-I1112 HydrophobicContact CG-CD1 4.03Å; L1110-I1112 HydrophobicContact CG-CG1 4.14Å; L1110-K1121 CarbonylContact O-C 3.54Å; L1110-K1121 WeakPolarHBondContact O-CA 3.46Å; L1110-F1122 HydrophobicContact CB-CB 4.23Å; L1110-F1122 PolarHBondContact N-O 3.05Å; L1110-F1122 PolarHBondContact O-N 3.3Å |
| 1111 | F | 76.7 | Confident | 63.8 | Low | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.1 | 171.9 | -79.2 | -89.8 | 0 | 0 | 0 | 110.7 | I1081 Q1082 Y1084 F1120 K1121 I1152 T1174 L1176 | I1081-F1111 CarbonylContact C-O 3.5Å; I1081-F1111 WeakPolarHBondContact CA-O 3.44Å; I1081-F1111 WeakPolarHBondContact CG2-O 3.17Å; Q1082-F1111 PolarHBondContact N-O 2.95Å; Q1082-F1111 PolarHBondContact O-N 2.99Å; Y1084-F1111 HydrophobicContact CD1-CE2 4.43Å; F1111-F1120 CarbonylContact C-O 3.59Å; F1111-F1120 VanDerWaalsContact CA-O 3.29Å; F1111-F1120 WeakPolarHBondContact CA-O 3.2Å; F1111-K1121 HydrophobicContact CD1-CB 4.09Å; F1111-K1121 HydrophobicContact CD1-CG 4.31Å; F1111-K1121 HydrophobicContact CD2-CG 4.36Å; F1111-K1121 HydrophobicContact CE1-CB 3.84Å; F1111-K1121 HydrophobicContact CE1-CD 4.04Å; F1111-K1121 HydrophobicContact CE1-CG 3.88Å; F1111-K1121 HydrophobicContact CE2-CD 4Å; F1111-K1121 HydrophobicContact CE2-CG 3.94Å; F1111-K1121 HydrophobicContact CZ-CB 4.19Å; F1111-K1121 HydrophobicContact CZ-CD 3.52Å; F1111-K1121 HydrophobicContact CZ-CG 3.69Å; F1111-I1152 HydrophobicContact CB-CD1 3.94Å; F1111-I1152 HydrophobicContact CD1-CD1 4.1Å; F1111-I1152 HydrophobicContact CD2-CD1 3.65Å; F1111-I1152 HydrophobicContact CE1-CD1 4.48Å; F1111-I1152 HydrophobicContact CE2-CD1 4.07Å; F1111-I1152 HydrophobicContact CG-CD1 3.64Å; F1111-I1152 HydrophobicContact CZ-CD1 4.46Å; F1111-T1174 WeakPolarHBondContact CE1-O 3.4Å; F1111-L1176 HydrophobicContact CD1-CD1 4.39Å; F1111-L1176 HydrophobicContact CE1-CD1 4.18Å; F1111-L1176 HydrophobicContact CE1-CG 4.15Å |
| 1112 | I | 77.3 | Confident | 65.8 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.7 | -178.5 | -67.1 | 148.2 | 0 | 0 | 0 | 108.5 | L1035 L1051 L1078 I1081 L1110 L1119 F1120 F1122 | L1035-I1112 HydrophobicContact CD2-CD1 3.39Å; L1035-I1112 HydrophobicContact CD2-CG1 3.92Å; L1051-I1112 HydrophobicContact CD2-CG2 4.29Å; L1078-I1112 HydrophobicContact CD2-CG2 3.51Å; I1081-I1112 HydrophobicContact CD1-CG1 4.16Å; I1081-I1112 HydrophobicContact CD1-CG2 4.48Å; I1081-I1112 HydrophobicContact CG1-CB 4.38Å; I1081-I1112 HydrophobicContact CG1-CG1 4.02Å; I1081-I1112 HydrophobicContact CG1-CG2 4.22Å; I1081-I1112 HydrophobicContact CG2-CG1 3.9Å; L1110-I1112 HydrophobicContact CD1-CG1 4.39Å; L1110-I1112 HydrophobicContact CD2-CD1 4.11Å; L1110-I1112 HydrophobicContact CG-CD1 4.03Å; L1110-I1112 HydrophobicContact CG-CG1 4.14Å; I1112-L1119 CarbonylContact O-C 3.41Å; I1112-L1119 VanDerWaalsContact O-CA 3.28Å; I1112-L1119 WeakPolarHBondContact O-CA 3.4Å; I1112-F1120 HydrophobicContact CB-CB 4.37Å; I1112-F1120 HydrophobicContact CB-CD2 4.46Å; I1112-F1120 HydrophobicContact CG2-CD2 4.21Å; I1112-F1120 PolarHBondContact N-O 2.99Å; I1112-F1120 PolarHBondContact O-N 3.37Å; I1112-F1122 HydrophobicContact CD1-CD2 3.77Å; I1112-F1122 HydrophobicContact CD1-CE2 3.5Å; I1112-F1122 VanDerWaalsContact CD1-CE2 3.5Å; I1112-F1122 HydrophobicContact CD1-CZ 4.4Å |
| 1113 | C | 72.9 | Confident | 67.7 | Low | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 125.8 | 173.2 | -167.6 | 0 | 0 | 0 | 0 | 111.3 | N1079 F1080 Y1118 L1119 | N1079-C1113 PolarHBondContact N-O 3.39Å; N1079-C1113 VanDerWaalsContact N-O 3.17Å; F1080-C1113 HydrophobicContact CB-CB 4.17Å; F1080-C1113 HydrophobicContact CD1-CB 4.31Å; F1080-C1113 PolarHBondContact N-O 3.09Å; F1080-C1113 PolarHBondContact O-N 2.84Å; F1080-C1113 VanDerWaalsContact O-O 3.11Å; C1113-Y1118 WeakPolarHBondContact CA-O 3.25Å; C1113-L1119 HydrophobicContact CB-CD2 3.56Å; C1113-L1119 HydrophobicContact CB-CG 4.25Å |
| 1114 | T | 70.4 | Confident | 69.1 | Low | 8 Ų | 8 | 26.4 Ų | 26.4 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 159.7 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | I1055 L1078 Q1116 G1117 Y1118 F1120 | I1055-T1114 HydrophobicContact CD1-CG2 4.3Å; L1078-T1114 HydrophobicContact CD2-CG2 4.34Å; T1114-Q1116 PolarHBondContact O-N 3Å; T1114-Q1116 VanDerWaalsContact O-N 3.08Å; T1114-G1117 PolarHBondContact O-N 2.85Å; T1114-G1117 PolarHBondContact OG1-N 3.27Å; T1114-Y1118 PolarHBondContact N-O 2.88Å; T1114-Y1118 WeakPolarHBondContact OG1-CB 3.36Å; T1114-Y1118 WeakPolarHBondContact OG1-CD2 3.39Å; T1114-Y1118 PolarHBondContact OG1-N 3.35Å; T1114-Y1118 PolarHBondContact OG1-O 2.84Å; T1114-F1120 HydrophobicContact CG2-CE2 4.25Å |
| 1115 | S | 65.3 | Low | 70.1 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22.6 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | S1077 N1079 | S1077-S1115 WeakPolarHBondContact O-CB 3.41Å; S1077-S1115 PolarHBondContact O-N 3.32Å; S1077-S1115 PolarHBondContact O-OG 3.06Å; S1077-S1115 WeakPolarHBondContact OG-CB 3.38Å; S1077-S1115 PolarHBondContact OG-OG 3.42Å; N1079-S1115 WeakPolarHBondContact OD1-CB 3.49Å |
| 1116 | Q | 65.6 | Low | 70.9 | Confident | 109 Ų | 109 | 24.4 Ų | 24.4 | 51% | 0.509 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -4.9 | -179.6 | -66 | 176.7 | -26.4 | 0 | 0 | 113.8 | T1114 Y1118 | T1114-Q1116 PolarHBondContact O-N 3Å; T1114-Q1116 VanDerWaalsContact O-N 3.08Å; Q1116-Y1118 HydrophobicContact CB-CD2 4.06Å; Q1116-Y1118 HydrophobicContact CB-CE2 3.79Å |
| 1117 | G | 71.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | 99.7 | -3.5 | 176 | 0 | 0 | 0 | 0 | 0 | 116.6 | T1114 L1119 F1135 | T1114-G1117 PolarHBondContact O-N 2.85Å; T1114-G1117 PolarHBondContact OG1-N 3.27Å; G1117-L1119 PolarHBondContact O-N 2.82Å; G1117-F1135 PolarHBondContact O-N 3.37Å | ||
| 1118 | Y | 77.4 | Confident | 72.1 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 7% | 0.071 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 126.3 | 169.6 | -54.4 | -71.3 | 0 | 0 | 0 | 110.5 | F1059 N1062 C1113 T1114 Q1116 E1134 | F1059-Y1118 HydrophobicContact CB-CD1 4.43Å; F1059-Y1118 HydrophobicContact CB-CE1 4.15Å; F1059-Y1118 AromaticContact CD1-CD1 3.83Å; F1059-Y1118 HydrophobicContact CD1-CD1 3.83Å; F1059-Y1118 AromaticContact CD1-CE1 3.83Å; F1059-Y1118 HydrophobicContact CD1-CE1 3.83Å; F1059-Y1118 AromaticContact CD2-CD1 3.71Å; F1059-Y1118 HydrophobicContact CD2-CD1 3.71Å; F1059-Y1118 HydrophobicContact CD2-CE1 4.27Å; F1059-Y1118 HydrophobicContact CD2-CG 4.41Å; F1059-Y1118 AromaticContact CE1-CD1 3.9Å; F1059-Y1118 HydrophobicContact CE1-CD1 3.9Å; F1059-Y1118 HydrophobicContact CE1-CE1 4.26Å; F1059-Y1118 AromaticContact CE2-CD1 3.78Å; F1059-Y1118 HydrophobicContact CE2-CD1 3.78Å; F1059-Y1118 HydrophobicContact CE2-CG 4.42Å; F1059-Y1118 AromaticContact CG-CD1 3.74Å; F1059-Y1118 HydrophobicContact CG-CD1 3.74Å; F1059-Y1118 AromaticContact CG-CE1 3.84Å; F1059-Y1118 HydrophobicContact CG-CE1 3.84Å; F1059-Y1118 AromaticContact CZ-CD1 3.87Å; F1059-Y1118 HydrophobicContact CZ-CD1 3.87Å; N1062-Y1118 PolarHBondContact ND2-OH 3.02Å; C1113-Y1118 WeakPolarHBondContact CA-O 3.25Å; T1114-Y1118 PolarHBondContact N-O 2.88Å; T1114-Y1118 WeakPolarHBondContact OG1-CB 3.36Å; T1114-Y1118 WeakPolarHBondContact OG1-CD2 3.39Å; T1114-Y1118 PolarHBondContact OG1-N 3.35Å; T1114-Y1118 PolarHBondContact OG1-O 2.84Å; Q1116-Y1118 HydrophobicContact CB-CD2 4.06Å; Q1116-Y1118 HydrophobicContact CB-CE2 3.79Å; Y1118-E1134 HydrophobicContact CD1-CB 4.37Å; Y1118-E1134 HydrophobicContact CD1-CG 3.95Å; Y1118-E1134 HydrophobicContact CE1-CB 4.48Å; Y1118-E1134 HydrophobicContact CE1-CG 3.73Å; Y1118-E1134 WeakPolarHBondContact CE1-OE1 3.36Å; Y1118-E1134 VanDerWaalsContact CZ-OE1 3.26Å; Y1118-E1134 PolarHBondContact OH-OE1 2.8Å |
| 1119 | L | 80.1 | Confident | 72.4 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.7 | -177.5 | -82.8 | 155.7 | 0 | 0 | 0 | 110.1 | I1112 C1113 G1117 C1132 A1133 F1135 L1176 I1200 | I1112-L1119 CarbonylContact O-C 3.41Å; I1112-L1119 VanDerWaalsContact O-CA 3.28Å; I1112-L1119 WeakPolarHBondContact O-CA 3.4Å; C1113-L1119 HydrophobicContact CB-CD2 3.56Å; C1113-L1119 HydrophobicContact CB-CG 4.25Å; G1117-L1119 PolarHBondContact O-N 2.82Å; L1119-C1132 CarbonylContact O-C 3.42Å; L1119-C1132 WeakPolarHBondContact O-CA 3.22Å; L1119-C1132 WeakPolarHBondContact O-CB 3.48Å; L1119-A1133 HydrophobicContact CB-CB 4.4Å; L1119-A1133 PolarHBondContact N-O 2.85Å; L1119-A1133 PolarHBondContact O-N 2.55Å; L1119-F1135 HydrophobicContact CD1-CB 4.05Å; L1119-L1176 HydrophobicContact CB-CD1 4.12Å; L1119-I1200 HydrophobicContact CB-CD1 4.43Å; L1119-I1200 HydrophobicContact CD1-CD1 3.37Å |
| 1120 | F | 79.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.2 | -179.8 | -52 | -93.6 | 0 | 0 | 0 | 110.6 | I1055 F1059 F1111 I1112 T1114 F1122 M1129 C1132 | I1055-F1120 HydrophobicContact CG1-CE2 4.48Å; I1055-F1120 HydrophobicContact CG1-CZ 3.97Å; F1059-F1120 HydrophobicContact CD2-CE1 4.24Å; F1059-F1120 HydrophobicContact CD2-CZ 4.21Å; F1059-F1120 AromaticContact CE2-CE1 3.67Å; F1059-F1120 HydrophobicContact CE2-CE1 3.67Å; F1059-F1120 AromaticContact CE2-CZ 3.83Å; F1059-F1120 HydrophobicContact CE2-CZ 3.83Å; F1111-F1120 CarbonylContact C-O 3.59Å; F1111-F1120 VanDerWaalsContact CA-O 3.29Å; F1111-F1120 WeakPolarHBondContact CA-O 3.2Å; I1112-F1120 HydrophobicContact CB-CB 4.37Å; I1112-F1120 HydrophobicContact CB-CD2 4.46Å; I1112-F1120 HydrophobicContact CG2-CD2 4.21Å; I1112-F1120 PolarHBondContact N-O 2.99Å; I1112-F1120 PolarHBondContact O-N 3.37Å; T1114-F1120 HydrophobicContact CG2-CE2 4.25Å; F1120-F1122 HydrophobicContact CB-CD2 4.26Å; F1120-F1122 HydrophobicContact CB-CE2 3.69Å; F1120-M1129 HydrophobicContact CB-CE 4.41Å; F1120-M1129 HydrophobicContact CB-SD 4.41Å; F1120-M1129 HydrophobicContact CD1-CE 3.42Å; F1120-M1129 VanDerWaalsContact CD1-CE 3.42Å; F1120-M1129 HydrophobicContact CD1-SD 3.68Å; F1120-M1129 HydrophobicContact CE1-CE 4Å; F1120-M1129 HydrophobicContact CG-CE 4.25Å; F1120-C1132 HydrophobicContact CD1-CB 3.51Å; F1120-C1132 HydrophobicContact CE1-CB 4.07Å; F1120-C1132 HydrophobicContact CG-CB 4.27Å |
| 1121 | K | 80.4 | Confident | 72.3 | Confident | 16 Ų | 16 | 27.7 Ų | 27.7 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.9 | 172.1 | -172.7 | -173.6 | -176.4 | 177.7 | 0 | 108.9 | E1086 F1109 L1110 F1111 M1129 I1130 G1131 L1176 | E1086-K1121 IonicContact OE2-NZ 2.85Å; F1109-K1121 HydrophobicContact CB-CG 4.45Å; L1110-K1121 CarbonylContact O-C 3.54Å; L1110-K1121 WeakPolarHBondContact O-CA 3.46Å; F1111-K1121 HydrophobicContact CD1-CB 4.09Å; F1111-K1121 HydrophobicContact CD1-CG 4.31Å; F1111-K1121 HydrophobicContact CD2-CG 4.36Å; F1111-K1121 HydrophobicContact CE1-CB 3.84Å; F1111-K1121 HydrophobicContact CE1-CD 4.04Å; F1111-K1121 HydrophobicContact CE1-CG 3.88Å; F1111-K1121 HydrophobicContact CE2-CD 4Å; F1111-K1121 HydrophobicContact CE2-CG 3.94Å; F1111-K1121 HydrophobicContact CZ-CB 4.19Å; F1111-K1121 HydrophobicContact CZ-CD 3.52Å; F1111-K1121 HydrophobicContact CZ-CG 3.69Å; K1121-M1129 VanDerWaalsContact O-CG 3.31Å; K1121-M1129 WeakPolarHBondContact O-CG 3.31Å; K1121-I1130 HydrophobicContact CD-CB 4.46Å; K1121-I1130 HydrophobicContact CD-CD1 4.2Å; K1121-I1130 HydrophobicContact CD-CG2 4.29Å; K1121-I1130 HydrophobicContact CG-CB 4.37Å; K1121-I1130 HydrophobicContact CG-CD1 4.16Å; K1121-I1130 PolarHBondContact O-N 2.86Å; K1121-G1131 PolarHBondContact N-O 3.45Å; K1121-G1131 PolarHBondContact O-N 2.83Å; K1121-L1176 HydrophobicContact CB-CD1 4.07Å; K1121-L1176 HydrophobicContact CB-CG 4.49Å |
| 1122 | F | 77.1 | Confident | 72.5 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 4% | 0.044 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 150.9 | 177.2 | -69 | -111.1 | 0 | 0 | 0 | 112.4 | I1049 L1054 F1109 L1110 I1112 F1120 M1129 | I1049-F1122 HydrophobicContact CD1-CD1 4.16Å; I1049-F1122 HydrophobicContact CD1-CE1 3.81Å; I1049-F1122 HydrophobicContact CD1-CZ 4.25Å; I1049-F1122 HydrophobicContact CG2-CE1 4.29Å; I1049-F1122 HydrophobicContact CG2-CZ 4.04Å; L1054-F1122 HydrophobicContact CD1-CE1 4.28Å; L1054-F1122 HydrophobicContact CD1-CZ 3.59Å; F1109-F1122 CarbonylContact C-O 3.58Å; F1109-F1122 WeakPolarHBondContact CA-O 3.38Å; L1110-F1122 HydrophobicContact CB-CB 4.23Å; L1110-F1122 PolarHBondContact N-O 3.05Å; L1110-F1122 PolarHBondContact O-N 3.3Å; I1112-F1122 HydrophobicContact CD1-CD2 3.77Å; I1112-F1122 HydrophobicContact CD1-CE2 3.5Å; I1112-F1122 VanDerWaalsContact CD1-CE2 3.5Å; I1112-F1122 HydrophobicContact CD1-CZ 4.4Å; F1120-F1122 HydrophobicContact CB-CD2 4.26Å; F1120-F1122 HydrophobicContact CB-CE2 3.69Å; F1122-M1129 HydrophobicContact CD1-CB 3.7Å; F1122-M1129 HydrophobicContact CD1-CG 4.22Å; F1122-M1129 HydrophobicContact CD2-CB 4.5Å; F1122-M1129 HydrophobicContact CD2-CG 4.12Å; F1122-M1129 HydrophobicContact CE1-CB 3.63Å; F1122-M1129 HydrophobicContact CE1-CE 4.08Å; F1122-M1129 HydrophobicContact CE1-CG 4.11Å; F1122-M1129 HydrophobicContact CE2-CB 4.43Å; F1122-M1129 HydrophobicContact CE2-CE 3.92Å; F1122-M1129 HydrophobicContact CE2-CG 4Å; F1122-M1129 HydrophobicContact CG-CB 4.15Å; F1122-M1129 HydrophobicContact CG-CG 4.23Å; F1122-M1129 HydrophobicContact CZ-CB 4.03Å; F1122-M1129 HydrophobicContact CZ-CE 3.46Å; F1122-M1129 VanDerWaalsContact CZ-CE 3.46Å; F1122-M1129 HydrophobicContact CZ-CG 4.02Å |
| 1123 | S | 75.1 | Confident | 72.5 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121 | 163.1 | 171.1 | 0 | 0 | 0 | 0 | 108.7 | L1125 D1126 N1127 K1128 | S1123-L1125 VanDerWaalsContact C-N 3.34Å; S1123-L1125 PolarHBondContact OG-N 2.87Å; S1123-D1126 WeakPolarHBondContact CB-OD2 3.46Å; S1123-D1126 WeakPolarHBondContact OG-CB 3.35Å; S1123-D1126 PolarHBondContact OG-N 3.46Å; S1123-D1126 VanDerWaalsContact OG-N 3.09Å; S1123-D1126 PolarHBondContact OG-OD2 3.1Å; S1123-N1127 WeakPolarHBondContact O-CA 3.03Å; S1123-N1127 PolarHBondContact O-N 2.99Å; S1123-N1127 VanDerWaalsContact O-N 3.16Å; S1123-K1128 PolarHBondContact N-O 2.89Å; S1123-K1128 PolarHBondContact O-N 2.82Å |
| 1124 | L | 69.2 | Low | 72.6 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -34.3 | 172.3 | -85.7 | 167.1 | 0 | 0 | 0 | 112.3 | Y1024 I1037 F1083 E1108 N1127 | Y1024-L1124 HydrophobicContact CD1-CD2 4.1Å; Y1024-L1124 HydrophobicContact CD2-CB 4.47Å; Y1024-L1124 HydrophobicContact CD2-CD1 3.58Å; Y1024-L1124 HydrophobicContact CD2-CD2 4.14Å; Y1024-L1124 HydrophobicContact CD2-CG 4.29Å; Y1024-L1124 HydrophobicContact CE2-CB 4.42Å; Y1024-L1124 HydrophobicContact CE2-CD1 4.28Å; Y1024-L1124 HydrophobicContact CG-CD1 3.96Å; Y1024-L1124 HydrophobicContact CG-CD2 3.84Å; Y1024-L1124 HydrophobicContact CG-CG 4.46Å; I1037-L1124 HydrophobicContact CD1-CD2 4.25Å; I1037-L1124 HydrophobicContact CG2-CD2 3.93Å; F1083-L1124 HydrophobicContact CD1-CD1 3.69Å; F1083-L1124 HydrophobicContact CD1-CG 4.47Å; F1083-L1124 HydrophobicContact CE1-CD1 3.37Å; F1083-L1124 HydrophobicContact CE1-CD2 3.97Å; F1083-L1124 HydrophobicContact CE1-CG 3.89Å; F1083-L1124 HydrophobicContact CZ-CD1 4.33Å; E1108-L1124 HydrophobicContact CB-CB 4.48Å; E1108-L1124 HydrophobicContact CB-CD1 3.57Å; E1108-L1124 WeakPolarHBondContact O-CB 3.37Å; E1108-L1124 PolarHBondContact O-N 2.91Å; E1108-L1124 VanDerWaalsContact O-N 3.11Å; L1124-N1127 PolarHBondContact O-OD1 3.46Å |
| 1125 | L | 62.8 | Low | 72.7 | Confident | 80 Ų | 80 | 29.1 Ų | 29.1 | 42% | 0.419 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -38.6 | -176 | -66.5 | 173.3 | 0 | 0 | 0 | 111.8 | D1107 S1123 | D1107-L1125 VanDerWaalsContact OD1-CD1 3.28Å; D1107-L1125 WeakPolarHBondContact OD1-CD1 3.21Å; S1123-L1125 VanDerWaalsContact C-N 3.34Å; S1123-L1125 PolarHBondContact OG-N 2.87Å |
| 1126 | D | 63.4 | Low | 72.6 | Confident | 88 Ų | 88 | 33 Ų | 33 | 47% | 0.471 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.9 | 174.9 | -70.4 | -89.6 | 0 | 0 | 0 | 114.1 | S1123 K1128 | S1123-D1126 WeakPolarHBondContact CB-OD2 3.46Å; S1123-D1126 WeakPolarHBondContact OG-CB 3.35Å; S1123-D1126 PolarHBondContact OG-N 3.46Å; S1123-D1126 VanDerWaalsContact OG-N 3.09Å; S1123-D1126 PolarHBondContact OG-OD2 3.1Å; D1126-K1128 HydrophobicContact CB-CB 3.8Å; D1126-K1128 HydrophobicContact CB-CD 3.79Å; D1126-K1128 HydrophobicContact CB-CG 3.82Å; D1126-K1128 PolarHBondContact O-N 3.47Å; D1126-K1128 IonicContact OD1-NZ 3.52Å; D1126-K1128 PolarHBondContact OD1-NZ 3.42Å |
| 1127 | N | 60.7 | Low | 72.2 | Confident | 64 Ų | 64 | 29.5 Ų | 29.5 | 34% | 0.342 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.1 | -160 | -68.5 | -51.5 | 0 | 0 | 0 | 113.9 | Q1047 S1123 L1124 | Q1047-N1127 PolarHBondContact NE2-O 2.78Å; Q1047-N1127 PolarHBondContact OE1-OD1 3.16Å; S1123-N1127 WeakPolarHBondContact O-CA 3.03Å; S1123-N1127 PolarHBondContact O-N 2.99Å; S1123-N1127 VanDerWaalsContact O-N 3.16Å; L1124-N1127 PolarHBondContact O-OD1 3.46Å |
| 1128 | K | 68.7 | Low | 71.2 | Confident | 90 Ų | 90 | 33.8 Ų | 33.8 | 39% | 0.391 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.7 | 179.4 | -69.1 | 169 | -158.7 | 145.3 | 0 | 110.5 | S1123 D1126 I1130 Y1180 | S1123-K1128 PolarHBondContact N-O 2.89Å; S1123-K1128 PolarHBondContact O-N 2.82Å; D1126-K1128 HydrophobicContact CB-CB 3.8Å; D1126-K1128 HydrophobicContact CB-CD 3.79Å; D1126-K1128 HydrophobicContact CB-CG 3.82Å; D1126-K1128 PolarHBondContact O-N 3.47Å; D1126-K1128 IonicContact OD1-NZ 3.52Å; D1126-K1128 PolarHBondContact OD1-NZ 3.42Å; K1128-I1130 PolarHBondContact O-N 3.37Å; K1128-Y1180 HydrophobicContact CB-CE2 4.43Å; K1128-Y1180 HydrophobicContact CD-CE2 3.77Å; K1128-Y1180 HydrophobicContact CG-CE2 4.21Å |
| 1129 | M | 72.7 | Confident | 69.6 | Low | 15 Ų | 15 | 34.4 Ų | 34.4 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.4 | 162.3 | -169.4 | -166.2 | -62.6 | 0 | 0 | 108.4 | L1054 F1120 K1121 F1122 C1132 L1179 | L1054-M1129 HydrophobicContact CB-CE 4.42Å; L1054-M1129 HydrophobicContact CD1-CE 3.64Å; L1054-M1129 HydrophobicContact CD2-CE 3.8Å; L1054-M1129 HydrophobicContact CG-CE 4.18Å; F1120-M1129 HydrophobicContact CB-CE 4.41Å; F1120-M1129 HydrophobicContact CB-SD 4.41Å; F1120-M1129 HydrophobicContact CD1-CE 3.42Å; F1120-M1129 VanDerWaalsContact CD1-CE 3.42Å; F1120-M1129 HydrophobicContact CD1-SD 3.68Å; F1120-M1129 HydrophobicContact CE1-CE 4Å; F1120-M1129 HydrophobicContact CG-CE 4.25Å; K1121-M1129 VanDerWaalsContact O-CG 3.31Å; K1121-M1129 WeakPolarHBondContact O-CG 3.31Å; F1122-M1129 HydrophobicContact CD1-CB 3.7Å; F1122-M1129 HydrophobicContact CD1-CG 4.22Å; F1122-M1129 HydrophobicContact CD2-CB 4.5Å; F1122-M1129 HydrophobicContact CD2-CG 4.12Å; F1122-M1129 HydrophobicContact CE1-CB 3.63Å; F1122-M1129 HydrophobicContact CE1-CE 4.08Å; F1122-M1129 HydrophobicContact CE1-CG 4.11Å; F1122-M1129 HydrophobicContact CE2-CB 4.43Å; F1122-M1129 HydrophobicContact CE2-CE 3.92Å; F1122-M1129 HydrophobicContact CE2-CG 4Å; F1122-M1129 HydrophobicContact CG-CB 4.15Å; F1122-M1129 HydrophobicContact CG-CG 4.23Å; F1122-M1129 HydrophobicContact CZ-CB 4.03Å; F1122-M1129 HydrophobicContact CZ-CE 3.46Å; F1122-M1129 VanDerWaalsContact CZ-CE 3.46Å; F1122-M1129 HydrophobicContact CZ-CG 4.02Å; M1129-C1132 HydrophobicContact SD-CB 3.9Å; M1129-L1179 HydrophobicContact CB-CD1 3.5Å; M1129-L1179 VanDerWaalsContact CB-CD1 3.5Å; M1129-L1179 HydrophobicContact CG-CD1 3.58Å; M1129-L1179 WeakPolarHBondContact O-CD1 3.45Å; M1129-L1179 HydrophobicContact SD-CD1 3.43Å; M1129-L1179 WeakPolarHBondContact SD-CD1 3.41Å; M1129-L1179 HydrophobicContact SD-CG 4.49Å |
| 1130 | I | 75.5 | Confident | 68 | Low | 55 Ų | 55 | 42.6 Ų | 42.6 | 28% | 0.282 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -49.2 | 177.4 | -67.5 | 164.5 | 0 | 0 | 0 | 109 | F1109 K1121 K1128 P1178 L1179 | F1109-I1130 HydrophobicContact CD1-CD1 3.24Å; F1109-I1130 HydrophobicContact CE1-CD1 3.35Å; F1109-I1130 HydrophobicContact CG-CD1 4.18Å; F1109-I1130 HydrophobicContact CZ-CD1 4.32Å; K1121-I1130 HydrophobicContact CD-CB 4.46Å; K1121-I1130 HydrophobicContact CD-CD1 4.2Å; K1121-I1130 HydrophobicContact CD-CG2 4.29Å; K1121-I1130 HydrophobicContact CG-CB 4.37Å; K1121-I1130 HydrophobicContact CG-CD1 4.16Å; K1121-I1130 PolarHBondContact O-N 2.86Å; K1128-I1130 PolarHBondContact O-N 3.37Å; I1130-P1178 CarbonylContact O-C 3.56Å; I1130-P1178 VanDerWaalsContact O-CA 3.22Å; I1130-P1178 WeakPolarHBondContact O-CA 3.38Å; I1130-L1179 PolarHBondContact O-N 3.29Å |
| 1131 | G | 75.8 | Confident | 66 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1121 Y1177 | K1121-G1131 PolarHBondContact N-O 3.45Å; K1121-G1131 PolarHBondContact O-N 2.83Å; G1131-Y1177 CarbonylContact C-O 3.12Å; G1131-Y1177 WeakPolarHBondContact CA-O 3.34Å |
| 1132 | C | 80.6 | Confident | 64.3 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 163.1 | 176.5 | 73.7 | 0 | 0 | 0 | 0 | 112 | F1059 L1119 F1120 M1129 Y1177 R1198 | F1059-C1132 HydrophobicContact CE2-CB 4.27Å; F1059-C1132 HydrophobicContact CZ-CB 4.24Å; L1119-C1132 CarbonylContact O-C 3.42Å; L1119-C1132 WeakPolarHBondContact O-CA 3.22Å; L1119-C1132 WeakPolarHBondContact O-CB 3.48Å; F1120-C1132 HydrophobicContact CD1-CB 3.51Å; F1120-C1132 HydrophobicContact CE1-CB 4.07Å; F1120-C1132 HydrophobicContact CG-CB 4.27Å; M1129-C1132 HydrophobicContact SD-CB 3.9Å; C1132-Y1177 PolarHBondContact N-O 3.29Å; C1132-Y1177 VanDerWaalsContact N-O 3.14Å; C1132-R1198 PolarHBondContact SG-NH1 2.89Å |
| 1133 | A | 78.6 | Confident | 62.5 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1059 L1119 L1176 Y1177 R1198 I1200 | F1059-A1133 WeakPolarHBondContact CZ-O 3.28Å; L1119-A1133 HydrophobicContact CB-CB 4.4Å; L1119-A1133 PolarHBondContact N-O 2.85Å; L1119-A1133 PolarHBondContact O-N 2.55Å; A1133-L1176 HydrophobicContact CB-CB 4.36Å; A1133-L1176 HydrophobicContact CB-CD1 4.41Å; A1133-L1176 HydrophobicContact CB-CD2 3.9Å; A1133-L1176 HydrophobicContact CB-CG 4.44Å; A1133-Y1177 HydrophobicContact CB-CD2 4.49Å; A1133-R1198 CarbonylContact C-O 3.51Å; A1133-R1198 WeakPolarHBondContact CA-O 3.43Å; A1133-R1198 VanDerWaalsContact CB-O 3.26Å; A1133-R1198 WeakPolarHBondContact CB-O 3.19Å; A1133-I1200 HydrophobicContact CB-CD1 3.5Å; A1133-I1200 VanDerWaalsContact CB-CD1 3.5Å; A1133-I1200 HydrophobicContact CB-CG1 3.79Å |
| 1134 | E | 75.1 | Confident | 61.2 | Low | 42 Ų | 42 | 58.8 Ų | 58.8 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.3 | 177.3 | -167 | 168.8 | -167.1 | 0 | 0 | 109.4 | F1059 N1062 Y1118 N1136 R1198 S1199 I1200 | F1059-E1134 HydrophobicContact CE1-CB 4.19Å; N1062-E1134 PolarHBondContact ND2-OE1 3Å; Y1118-E1134 HydrophobicContact CD1-CB 4.37Å; Y1118-E1134 HydrophobicContact CD1-CG 3.95Å; Y1118-E1134 HydrophobicContact CE1-CB 4.48Å; Y1118-E1134 HydrophobicContact CE1-CG 3.73Å; Y1118-E1134 WeakPolarHBondContact CE1-OE1 3.36Å; Y1118-E1134 VanDerWaalsContact CZ-OE1 3.26Å; Y1118-E1134 PolarHBondContact OH-OE1 2.8Å; E1134-N1136 PolarHBondContact O-N 2.81Å; E1134-R1198 PolarHBondContact N-O 2.65Å; E1134-S1199 WeakPolarHBondContact O-CA 3.47Å; E1134-I1200 PolarHBondContact O-N 3.4Å; E1134-I1200 VanDerWaalsContact O-N 3.08Å |
| 1135 | F | 71 | Confident | 60.3 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | trans | -88.2 | 98 | 165.8 | -179.8 | -95.6 | 0 | 0 | 0 | 108.3 | G1117 L1119 V1137 I1147 L1161 Y1170 I1200 Y1202 | G1117-F1135 PolarHBondContact O-N 3.37Å; L1119-F1135 HydrophobicContact CD1-CB 4.05Å; F1135-V1137 HydrophobicContact CD1-CG2 4.08Å; F1135-V1137 HydrophobicContact CE1-CG2 4.31Å; F1135-V1137 PolarHBondContact O-N 2.92Å; F1135-V1137 VanDerWaalsContact O-N 3.1Å; F1135-I1147 HydrophobicContact CB-CD1 4.43Å; F1135-I1147 HydrophobicContact CD1-CD1 3.77Å; F1135-I1147 HydrophobicContact CD1-CG1 4.13Å; F1135-I1147 HydrophobicContact CE1-CG1 4.43Å; F1135-I1147 HydrophobicContact CG-CD1 4.42Å; F1135-L1161 HydrophobicContact CD1-CD1 4.4Å; F1135-L1161 HydrophobicContact CD2-CD1 3.45Å; F1135-L1161 VanDerWaalsContact CD2-CD1 3.45Å; F1135-L1161 HydrophobicContact CE1-CD1 4.46Å; F1135-L1161 HydrophobicContact CE2-CD1 3.52Å; F1135-L1161 HydrophobicContact CG-CD1 3.91Å; F1135-L1161 HydrophobicContact CZ-CD1 4.04Å; F1135-Y1170 HydrophobicContact CZ-CD2 4.49Å; F1135-Y1170 HydrophobicContact CZ-CG 4.49Å; F1135-I1200 HydrophobicContact CD2-CG2 4.26Å; F1135-Y1202 HydrophobicContact CD2-CD1 4.08Å; F1135-Y1202 HydrophobicContact CD2-CE1 4.28Å; F1135-Y1202 AromaticContact CE2-CD1 3.43Å; F1135-Y1202 HydrophobicContact CE2-CD1 3.43Å; F1135-Y1202 VanDerWaalsContact CE2-CD1 3.43Å; F1135-Y1202 AromaticContact CE2-CE1 3.56Å; F1135-Y1202 HydrophobicContact CE2-CE1 3.56Å; F1135-Y1202 AromaticContact CE2-CG 4Å; F1135-Y1202 HydrophobicContact CE2-CG 4Å; F1135-Y1202 HydrophobicContact CZ-CD1 4.33Å; F1135-Y1202 HydrophobicContact CZ-CE1 4.09Å | ||
| 1136 | N | 64.9 | Low | 60.4 | Low | 87 Ų | 87 | 60.4 Ų | 60.4 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | trans | -62.6 | 112.6 | 173.3 | -67.1 | -1.8 | 0 | 0 | 0 | 108.6 | E1134 V1138 | E1134-N1136 PolarHBondContact O-N 2.81Å; N1136-V1138 VanDerWaalsContact O-CG2 3.26Å; N1136-V1138 WeakPolarHBondContact O-CG2 3.36Å; N1136-V1138 PolarHBondContact O-N 3Å; N1136-V1138 VanDerWaalsContact O-N 3.09Å | ||
| 1137 | V | 57 | Low | 60.5 | Low | 36 Ų | 36 | 56.3 Ų | 56.3 | 22% | 0.218 | 30% | 0.3 | C | S | . | . | trans | -71.4 | 100.6 | 178.5 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | F1135 S1139 V1145 I1147 E1163 | F1135-V1137 HydrophobicContact CD1-CG2 4.08Å; F1135-V1137 HydrophobicContact CE1-CG2 4.31Å; F1135-V1137 PolarHBondContact O-N 2.92Å; F1135-V1137 VanDerWaalsContact O-N 3.1Å; V1137-S1139 VanDerWaalsContact C-N 3.27Å; V1137-S1139 PolarHBondContact O-N 3.2Å; V1137-V1145 HydrophobicContact CG1-CB 3.85Å; V1137-V1145 HydrophobicContact CG1-CG1 3.56Å; V1137-I1147 HydrophobicContact CG2-CG1 4.04Å; V1137-E1163 HydrophobicContact CG1-CG 4.26Å | ||
| 1138 | V | 49.8 | Very low | 60.8 | Low | 90 Ų | 90 | 55.7 Ų | 55.7 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | trans | -83.7 | 70.2 | -169 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | N1136 E1163 Y1202 | N1136-V1138 VanDerWaalsContact O-CG2 3.26Å; N1136-V1138 WeakPolarHBondContact O-CG2 3.36Å; N1136-V1138 PolarHBondContact O-N 3Å; N1136-V1138 VanDerWaalsContact O-N 3.09Å; V1138-E1163 PolarHBondContact N-OE1 2.95Å; V1138-Y1202 WeakPolarHBondContact CG2-OH 3.28Å | ||
| 1139 | S | 44.2 | Very low | 60.8 | Low | 32 Ų | 32 | 51.7 Ų | 51.7 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | trans | -121.5 | 123.1 | 166.3 | 106.8 | 0 | 0 | 0 | 0 | 110.4 | V1137 S1141 V1145 | V1137-S1139 VanDerWaalsContact C-N 3.27Å; V1137-S1139 PolarHBondContact O-N 3.2Å; S1139-S1141 PolarHBondContact O-N 2.9Å; S1139-S1141 PolarHBondContact OG-N 3.11Å; S1139-S1141 PolarHBondContact OG-OG 3.04Å; S1139-V1145 VanDerWaalsContact OG-CG2 3.24Å; S1139-V1145 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 1140 | N | 46.1 | Very low | 61 | Low | 175 Ų | 175 | 51.4 Ų | 51.4 | 94% | 0.936 | 28% | 0.279 | S | S | * | . | trans | -75.7 | 21.9 | 170.2 | -71.6 | -24.2 | 0 | 0 | 0 | 112.6 | ||||
| 1141 | S | 38.4 | Very low | 61.2 | Low | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | trans | -85.1 | 147 | -176.6 | 79.1 | 0 | 0 | 0 | 0 | 111.3 | S1139 T1143 V1145 | S1139-S1141 PolarHBondContact O-N 2.9Å; S1139-S1141 PolarHBondContact OG-N 3.11Å; S1139-S1141 PolarHBondContact OG-OG 3.04Å; S1141-T1143 WeakPolarHBondContact CB-OG1 2.97Å; S1141-T1143 PolarHBondContact O-N 2.84Å; S1141-T1143 PolarHBondContact OG-O 3.09Å; S1141-T1143 PolarHBondContact OG-OG1 2.78Å; S1141-V1145 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 1142 | K | 42.8 | Very low | 61.2 | Low | 140 Ų | 140 | 51.9 Ų | 51.9 | 61% | 0.609 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -81.2 | -0.5 | 177.6 | -63.9 | -168.9 | 174.1 | -174.3 | 0 | 113.2 | K1346 | K1142-K1346 WeakPolarHBondContact O-CE 3.38Å; K1142-K1346 PolarHBondContact O-NZ 3.1Å |
| 1143 | T | 41 | Very low | 60.6 | Low | 85 Ų | 85 | 52.3 Ų | 52.3 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -82.7 | 139.3 | 167.4 | 31.7 | 0 | 0 | 0 | 0 | 109.5 | S1141 V1145 | S1141-T1143 WeakPolarHBondContact CB-OG1 2.97Å; S1141-T1143 PolarHBondContact O-N 2.84Å; S1141-T1143 PolarHBondContact OG-O 3.09Å; S1141-T1143 PolarHBondContact OG-OG1 2.78Å; T1143-V1145 PolarHBondContact O-N 3Å |
| 1144 | T | 46.3 | Very low | 59.8 | Low | 98 Ų | 98 | 54.7 Ų | 54.7 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | trans | -63.9 | 115.3 | 165.7 | 35.1 | 0 | 0 | 0 | 0 | 107.9 | Y1146 | T1144-Y1146 WeakPolarHBondContact CB-OH 3.36Å; T1144-Y1146 VanDerWaalsContact O-CE2 3.22Å; T1144-Y1146 WeakPolarHBondContact O-CE2 3.47Å; T1144-Y1146 PolarHBondContact OG1-OH 3.07Å | ||
| 1145 | V | 51.6 | Low | 59.3 | Low | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.121 | 31% | 0.307 | C | S | . | . | trans | -101.3 | 135.9 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | V1137 S1139 S1141 T1143 E1163 S1165 | V1137-V1145 HydrophobicContact CG1-CB 3.85Å; V1137-V1145 HydrophobicContact CG1-CG1 3.56Å; S1139-V1145 VanDerWaalsContact OG-CG2 3.24Å; S1139-V1145 WeakPolarHBondContact OG-CG2 3.49Å; S1141-V1145 WeakPolarHBondContact OG-CG2 3.46Å; T1143-V1145 PolarHBondContact O-N 3Å; V1145-E1163 HydrophobicContact CG1-CB 4.14Å; V1145-E1163 HydrophobicContact CG1-CG 4.47Å; V1145-S1165 VanDerWaalsContact CG1-OG 3.28Å; V1145-S1165 WeakPolarHBondContact CG1-OG 3.47Å | ||
| 1146 | Y | 64.2 | Low | 58.9 | Low | 99 Ų | 99 | 56.3 Ų | 56.3 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | trans | -119.5 | 153.5 | -179.1 | -41.8 | -84.8 | 0 | 0 | 0 | 109.5 | T1144 N1148 S1164 | T1144-Y1146 WeakPolarHBondContact CB-OH 3.36Å; T1144-Y1146 VanDerWaalsContact O-CE2 3.22Å; T1144-Y1146 WeakPolarHBondContact O-CE2 3.47Å; T1144-Y1146 PolarHBondContact OG1-OH 3.07Å; Y1146-N1148 PolarHBondContact O-N 3.01Å; Y1146-S1164 PolarHBondContact N-OG 3.21Å; Y1146-S1164 VanDerWaalsContact N-OG 3.13Å; Y1146-S1164 WeakPolarHBondContact O-CB 3.24Å; Y1146-S1164 PolarHBondContact O-N 2.82Å; Y1146-S1164 PolarHBondContact O-OG 2.55Å | ||
| 1147 | I | 65 | Low | 59.1 | Low | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 118.7 | 170.7 | -58 | 168.3 | 0 | 0 | 0 | 108 | N1079 F1135 V1137 A1149 V1150 L1161 A1162 | N1079-I1147 PolarHBondContact ND2-O 2.96Å; F1135-I1147 HydrophobicContact CB-CD1 4.43Å; F1135-I1147 HydrophobicContact CD1-CD1 3.77Å; F1135-I1147 HydrophobicContact CD1-CG1 4.13Å; F1135-I1147 HydrophobicContact CE1-CG1 4.43Å; F1135-I1147 HydrophobicContact CG-CD1 4.42Å; V1137-I1147 HydrophobicContact CG2-CG1 4.04Å; I1147-A1149 WeakPolarHBondContact CG2-O 3.26Å; I1147-V1150 HydrophobicContact CG2-CG2 3.63Å; I1147-L1161 HydrophobicContact CD1-CD2 4.11Å; I1147-L1161 HydrophobicContact CG2-CD2 3.54Å; I1147-A1162 CarbonylContact C-O 3.58Å |
| 1148 | N | 68 | Low | 59.8 | Low | 51 Ų | 51 | 55.5 Ų | 55.5 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -32.3 | -175.1 | -170.9 | 82.5 | 0 | 0 | 0 | 112.8 | Y1146 A1162 I1212 D1213 K1229 | Y1146-N1148 PolarHBondContact O-N 3.01Å; N1148-A1162 PolarHBondContact N-O 3.31Å; N1148-I1212 PolarHBondContact ND2-O 3.4Å; N1148-D1213 WeakPolarHBondContact ND2-CA 3.19Å; N1148-D1213 PolarHBondContact ND2-O 3.02Å; N1148-D1213 PolarHBondContact ND2-OD1 2.75Å; N1148-K1229 PolarHBondContact ND2-NZ 2.9Å; N1148-K1229 PolarHBondContact OD1-NZ 3.27Å |
| 1149 | A | 68.1 | Low | 61.2 | Low | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 145.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1147 L1161 A1162 D1213 F1215 | I1147-A1149 WeakPolarHBondContact CG2-O 3.26Å; A1149-L1161 WeakPolarHBondContact O-CA 3.47Å; A1149-A1162 HydrophobicContact CB-CB 4.18Å; A1149-A1162 PolarHBondContact N-O 3.28Å; A1149-A1162 PolarHBondContact O-N 3.11Å; A1149-D1213 WeakPolarHBondContact CB-O 3.15Å; A1149-F1215 HydrophobicContact CB-CD2 3.81Å; A1149-F1215 HydrophobicContact CB-CE2 3.96Å |
| 1150 | V | 77 | Confident | 62.8 | Low | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 141.6 | 174.9 | -162.2 | 0 | 0 | 0 | 0 | 109.1 | F1080 I1147 L1159 L1160 L1161 | F1080-V1150 HydrophobicContact CB-CB 4.27Å; F1080-V1150 HydrophobicContact CB-CG2 3.88Å; F1080-V1150 HydrophobicContact CD1-CB 3.8Å; F1080-V1150 HydrophobicContact CD1-CG1 3.95Å; F1080-V1150 HydrophobicContact CD1-CG2 4.21Å; F1080-V1150 HydrophobicContact CD2-CB 3.89Å; F1080-V1150 HydrophobicContact CD2-CG2 4.35Å; F1080-V1150 HydrophobicContact CE1-CB 3.98Å; F1080-V1150 HydrophobicContact CE1-CG1 3.91Å; F1080-V1150 HydrophobicContact CE2-CB 4.06Å; F1080-V1150 WeakPolarHBondContact CE2-O 3.43Å; F1080-V1150 HydrophobicContact CG-CB 3.73Å; F1080-V1150 HydrophobicContact CG-CG1 4.4Å; F1080-V1150 HydrophobicContact CG-CG2 3.92Å; F1080-V1150 HydrophobicContact CZ-CB 4.08Å; F1080-V1150 HydrophobicContact CZ-CG1 4.32Å; I1147-V1150 HydrophobicContact CG2-CG2 3.63Å; V1150-L1159 HydrophobicContact CG1-CD2 3.94Å; V1150-L1159 HydrophobicContact CG1-CG 4.3Å; V1150-L1160 CarbonylContact C-O 3.42Å; V1150-L1160 VanDerWaalsContact CA-O 3.3Å; V1150-L1160 WeakPolarHBondContact CA-O 3.37Å; V1150-L1161 HydrophobicContact CB-CD2 4.34Å; V1150-L1161 HydrophobicContact CG1-CD2 3.85Å; V1150-L1161 HydrophobicContact CG2-CD2 3.92Å |
| 1151 | K | 79.5 | Confident | 64.4 | Low | 59 Ų | 59 | 41.5 Ų | 41.5 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 129.7 | 170.2 | -151.8 | 76.3 | 173.1 | -166.7 | 0 | 112.4 | L1159 L1160 F1215 I1217 | K1151-L1159 WeakPolarHBondContact O-CA 3.36Å; K1151-L1160 HydrophobicContact CB-CB 4.47Å; K1151-L1160 PolarHBondContact N-O 2.77Å; K1151-L1160 PolarHBondContact O-N 3.48Å; K1151-F1215 HydrophobicContact CB-CB 3.96Å; K1151-I1217 HydrophobicContact CB-CD1 4.01Å; K1151-I1217 HydrophobicContact CG-CD1 3.83Å; K1151-I1217 HydrophobicContact CG-CG1 4.32Å |
| 1152 | I | 76 | Confident | 66.1 | Low | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 139.3 | 171.4 | -65.4 | 171.8 | 0 | 0 | 0 | 109.5 | F1111 T1158 L1159 T1174 | F1111-I1152 HydrophobicContact CB-CD1 3.94Å; F1111-I1152 HydrophobicContact CD1-CD1 4.1Å; F1111-I1152 HydrophobicContact CD2-CD1 3.65Å; F1111-I1152 HydrophobicContact CE1-CD1 4.48Å; F1111-I1152 HydrophobicContact CE2-CD1 4.07Å; F1111-I1152 HydrophobicContact CG-CD1 3.64Å; F1111-I1152 HydrophobicContact CZ-CD1 4.46Å; I1152-T1158 WeakPolarHBondContact CA-O 3.07Å; I1152-L1159 HydrophobicContact CD1-CD1 4.18Å; I1152-L1159 HydrophobicContact CG1-CB 4.25Å; I1152-L1159 HydrophobicContact CG1-CD1 3.83Å; I1152-L1159 HydrophobicContact CG1-CG 3.91Å; I1152-T1174 HydrophobicContact CD1-CG2 4.37Å; I1152-T1174 HydrophobicContact CG1-CG2 4.22Å; I1152-T1174 HydrophobicContact CG2-CG2 3.79Å |
| 1153 | T | 68.9 | Low | 67.5 | Low | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | trans | -67.7 | 153.1 | 175.8 | 38.1 | 0 | 0 | 0 | 0 | 112.1 | N1155 G1156 T1158 I1217 F1266 | T1153-N1155 WeakPolarHBondContact CB-OD1 3.28Å; T1153-N1155 PolarHBondContact O-N 3.11Å; T1153-N1155 VanDerWaalsContact O-N 3.13Å; T1153-N1155 PolarHBondContact OG1-OD1 2.86Å; T1153-G1156 WeakPolarHBondContact O-CA 3.36Å; T1153-G1156 PolarHBondContact O-N 3.25Å; T1153-T1158 WeakPolarHBondContact CG2-OG1 3.43Å; T1153-T1158 PolarHBondContact N-O 3.3Å; T1153-T1158 WeakPolarHBondContact OG1-CA 3.44Å; T1153-T1158 PolarHBondContact OG1-N 2.99Å; T1153-T1158 VanDerWaalsContact OG1-N 3.08Å; T1153-T1158 PolarHBondContact OG1-O 3.15Å; T1153-T1158 PolarHBondContact OG1-OG1 2.96Å; T1153-I1217 HydrophobicContact CG2-CD1 3.84Å; T1153-I1217 HydrophobicContact CG2-CG2 4.35Å; T1153-F1266 HydrophobicContact CG2-CZ 4.34Å | ||
| 1154 | P | 61.6 | Low | 68.5 | Low | 50 Ų | 50 | 30.6 Ų | 30.6 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.3 | -178.2 | -26.6 | 34.3 | 0 | 0 | 0 | 115.6 | G1156 I1217 L1219 | P1154-G1156 PolarHBondContact O-N 2.74Å; P1154-I1217 VanDerWaalsContact CD-CG2 3.48Å; P1154-I1217 HydrophobicContact CG-CG2 4.09Å; P1154-L1219 HydrophobicContact CB-CD2 4.21Å; P1154-L1219 HydrophobicContact CG-CD2 4.42Å |
| 1155 | N | 63.4 | Low | 68.9 | Low | 74 Ų | 74 | 28.4 Ų | 28.4 | 40% | 0.396 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4.1 | 173.8 | 69.2 | -3.8 | 0 | 0 | 0 | 113.2 | Y1084 T1153 Q1157 | Y1084-N1155 PolarHBondContact OH-O 2.76Å; T1153-N1155 WeakPolarHBondContact CB-OD1 3.28Å; T1153-N1155 PolarHBondContact O-N 3.11Å; T1153-N1155 VanDerWaalsContact O-N 3.13Å; T1153-N1155 PolarHBondContact OG1-OD1 2.86Å; N1155-Q1157 HydrophobicContact CB-CG 4.38Å; N1155-Q1157 PolarHBondContact ND2-OE1 3.02Å; N1155-Q1157 PolarHBondContact O-N 3.37Å; N1155-Q1157 PolarHBondContact OD1-N 3.08Å |
| 1156 | G | 63.5 | Low | 69.3 | Low | 4 Ų | 4 | 28.6 Ų | 28.6 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 65.9 | 11.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1084 T1153 P1154 T1174 | Y1084-G1156 VanDerWaalsContact CZ-CA 3.47Å; T1153-G1156 WeakPolarHBondContact O-CA 3.36Å; T1153-G1156 PolarHBondContact O-N 3.25Å; P1154-G1156 PolarHBondContact O-N 2.74Å; G1156-T1174 WeakPolarHBondContact O-CB 3.18Å; G1156-T1174 VanDerWaalsContact O-CG2 3.26Å; G1156-T1174 WeakPolarHBondContact O-CG2 3.21Å; G1156-T1174 PolarHBondContact O-OG1 2.82Å |
| 1157 | Q | 68.7 | Low | 69.3 | Low | 83 Ų | 83 | 25.5 Ų | 25.5 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -95.4 | -28 | -173.2 | -63.4 | -173 | -35.6 | 0 | 0 | 113.4 | N1155 S1173 T1174 | N1155-Q1157 HydrophobicContact CB-CG 4.38Å; N1155-Q1157 PolarHBondContact ND2-OE1 3.02Å; N1155-Q1157 PolarHBondContact O-N 3.37Å; N1155-Q1157 PolarHBondContact OD1-N 3.08Å; Q1157-S1173 VanDerWaalsContact O-CA 3.29Å; Q1157-S1173 WeakPolarHBondContact O-CA 3.12Å; Q1157-S1173 PolarHBondContact O-OG 3.43Å; Q1157-T1174 PolarHBondContact O-N 3.24Å |
| 1158 | T | 71.9 | Confident | 69.6 | Low | 23 Ų | 23 | 27.4 Ų | 27.4 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.3 | -177.4 | 58 | 0 | 0 | 0 | 0 | 113.4 | I312 I1152 T1153 T1172 | I312-T1158 HydrophobicContact CD1-CG2 4.32Å; I1152-T1158 WeakPolarHBondContact CA-O 3.07Å; T1153-T1158 WeakPolarHBondContact CG2-OG1 3.43Å; T1153-T1158 PolarHBondContact N-O 3.3Å; T1153-T1158 WeakPolarHBondContact OG1-CA 3.44Å; T1153-T1158 PolarHBondContact OG1-N 2.99Å; T1153-T1158 VanDerWaalsContact OG1-N 3.08Å; T1153-T1158 PolarHBondContact OG1-O 3.15Å; T1153-T1158 PolarHBondContact OG1-OG1 2.96Å; T1158-T1172 CarbonylContact C-O 3.39Å; T1158-T1172 WeakPolarHBondContact CA-O 3.31Å; T1158-T1172 VanDerWaalsContact CB-O 3.3Å; T1158-T1172 WeakPolarHBondContact CB-O 3.28Å |
| 1159 | L | 79 | Confident | 69.9 | Low | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 120.6 | -171.6 | -175.9 | 159.7 | 0 | 0 | 0 | 108.4 | V1150 K1151 I1152 L1161 I1171 T1172 T1174 | V1150-L1159 HydrophobicContact CG1-CD2 3.94Å; V1150-L1159 HydrophobicContact CG1-CG 4.3Å; K1151-L1159 WeakPolarHBondContact O-CA 3.36Å; I1152-L1159 HydrophobicContact CD1-CD1 4.18Å; I1152-L1159 HydrophobicContact CG1-CB 4.25Å; I1152-L1159 HydrophobicContact CG1-CD1 3.83Å; I1152-L1159 HydrophobicContact CG1-CG 3.91Å; L1159-L1161 HydrophobicContact CD2-CD1 3.6Å; L1159-L1161 HydrophobicContact CD2-CD2 4.07Å; L1159-L1161 HydrophobicContact CD2-CG 3.51Å; L1159-I1171 WeakPolarHBondContact O-CA 3.39Å; L1159-T1172 HydrophobicContact CB-CG2 3.84Å; L1159-T1172 HydrophobicContact CD2-CG2 3.76Å; L1159-T1172 HydrophobicContact CG-CG2 4.33Å; L1159-T1172 PolarHBondContact N-O 2.85Å; L1159-T1172 PolarHBondContact O-N 2.79Å; L1159-T1174 HydrophobicContact CB-CG2 4.15Å |
| 1160 | L | 78.3 | Confident | 70.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 142.3 | 175.8 | -54.5 | -174.4 | 0 | 0 | 0 | 110.5 | V1150 K1151 Y1170 I1171 F1215 I1217 | V1150-L1160 CarbonylContact C-O 3.42Å; V1150-L1160 VanDerWaalsContact CA-O 3.3Å; V1150-L1160 WeakPolarHBondContact CA-O 3.37Å; K1151-L1160 HydrophobicContact CB-CB 4.47Å; K1151-L1160 PolarHBondContact N-O 2.77Å; K1151-L1160 PolarHBondContact O-N 3.48Å; L1160-Y1170 CarbonylContact C-O 2.98Å; L1160-Y1170 WeakPolarHBondContact CA-O 3.4Å; L1160-I1171 HydrophobicContact CD2-CB 4.3Å; L1160-I1171 HydrophobicContact CD2-CD1 3.7Å; L1160-I1171 HydrophobicContact CD2-CG1 3.61Å; L1160-I1171 HydrophobicContact CD2-CG2 4.09Å; L1160-F1215 HydrophobicContact CB-CD2 4Å; L1160-F1215 HydrophobicContact CB-CE2 4.23Å; L1160-F1215 HydrophobicContact CB-CG 4.34Å; L1160-F1215 HydrophobicContact CD1-CB 4.23Å; L1160-F1215 HydrophobicContact CD1-CD1 4.23Å; L1160-F1215 HydrophobicContact CD1-CG 4.13Å; L1160-I1217 HydrophobicContact CD1-CD1 3.66Å; L1160-I1217 HydrophobicContact CD1-CG1 3.87Å; L1160-I1217 HydrophobicContact CG-CD1 4.07Å |
| 1161 | L | 78.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 145.2 | -179.1 | -76.9 | 159.9 | 0 | 0 | 0 | 110.7 | F1135 I1147 A1149 V1150 L1159 Y1170 T1172 | F1135-L1161 HydrophobicContact CD1-CD1 4.4Å; F1135-L1161 HydrophobicContact CD2-CD1 3.45Å; F1135-L1161 VanDerWaalsContact CD2-CD1 3.45Å; F1135-L1161 HydrophobicContact CE1-CD1 4.46Å; F1135-L1161 HydrophobicContact CE2-CD1 3.52Å; F1135-L1161 HydrophobicContact CG-CD1 3.91Å; F1135-L1161 HydrophobicContact CZ-CD1 4.04Å; I1147-L1161 HydrophobicContact CD1-CD2 4.11Å; I1147-L1161 HydrophobicContact CG2-CD2 3.54Å; A1149-L1161 WeakPolarHBondContact O-CA 3.47Å; V1150-L1161 HydrophobicContact CB-CD2 4.34Å; V1150-L1161 HydrophobicContact CG1-CD2 3.85Å; V1150-L1161 HydrophobicContact CG2-CD2 3.92Å; L1159-L1161 HydrophobicContact CD2-CD1 3.6Å; L1159-L1161 HydrophobicContact CD2-CD2 4.07Å; L1159-L1161 HydrophobicContact CD2-CG 3.51Å; L1161-Y1170 PolarHBondContact N-O 3.5Å; L1161-Y1170 PolarHBondContact O-N 2.66Å; L1161-T1172 HydrophobicContact CD1-CG2 4.27Å |
| 1162 | A | 74.9 | Confident | 70 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1147 N1148 A1149 I1212 F1215 | I1147-A1162 CarbonylContact C-O 3.58Å; N1148-A1162 PolarHBondContact N-O 3.31Å; A1149-A1162 HydrophobicContact CB-CB 4.18Å; A1149-A1162 PolarHBondContact N-O 3.28Å; A1149-A1162 PolarHBondContact O-N 3.11Å; A1162-I1212 HydrophobicContact CB-CB 4.16Å; A1162-F1215 HydrophobicContact CB-CE2 3.67Å; A1162-F1215 HydrophobicContact CB-CZ 3.81Å |
| 1163 | E | 71.8 | Confident | 69.8 | Low | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 149 | 177.1 | -67.5 | 170.5 | 138.6 | 0 | 0 | 111.3 | V1137 V1138 V1145 S1165 T1166 Y1170 | V1137-E1163 HydrophobicContact CG1-CG 4.26Å; V1138-E1163 PolarHBondContact N-OE1 2.95Å; V1145-E1163 HydrophobicContact CG1-CB 4.14Å; V1145-E1163 HydrophobicContact CG1-CG 4.47Å; E1163-S1165 PolarHBondContact O-N 3.48Å; E1163-T1166 PolarHBondContact OE2-OG1 3.47Å; E1163-Y1170 HydrophobicContact CB-CE2 4.48Å; E1163-Y1170 HydrophobicContact CG-CD2 4.49Å; E1163-Y1170 HydrophobicContact CG-CE2 3.72Å; E1163-Y1170 WeakPolarHBondContact OE2-CE2 3.24Å; E1163-Y1170 PolarHBondContact OE2-OH 2.7Å |
| 1164 | S | 61.1 | Low | 69.7 | Low | 43 Ų | 43 | 25.9 Ų | 25.9 | 30% | 0.301 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.6 | 175.7 | 43.3 | 0 | 0 | 0 | 0 | 114.8 | Y1146 | Y1146-S1164 PolarHBondContact N-OG 3.21Å; Y1146-S1164 VanDerWaalsContact N-OG 3.13Å; Y1146-S1164 WeakPolarHBondContact O-CB 3.24Å; Y1146-S1164 PolarHBondContact O-N 2.82Å; Y1146-S1164 PolarHBondContact O-OG 2.55Å |
| 1165 | S | 56.6 | Low | 69.9 | Low | 53 Ų | 53 | 29.5 Ų | 29.5 | 37% | 0.371 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -7.9 | -173 | 57 | 0 | 0 | 0 | 0 | 114.8 | V1145 E1163 | V1145-S1165 VanDerWaalsContact CG1-OG 3.28Å; V1145-S1165 WeakPolarHBondContact CG1-OG 3.47Å; E1163-S1165 PolarHBondContact O-N 3.48Å |
| 1166 | T | 58.7 | Low | 70.4 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -139.2 | 147.2 | -171.4 | 68.5 | 0 | 0 | 0 | 0 | 113 | E1163 F1168 | E1163-T1166 PolarHBondContact OE2-OG1 3.47Å; T1166-F1168 HydrophobicContact CG2-CD2 3.94Å; T1166-F1168 HydrophobicContact CG2-CE2 3.9Å; T1166-F1168 PolarHBondContact O-N 3.4Å; T1166-F1168 VanDerWaalsContact O-N 3.08Å; T1166-F1168 WeakPolarHBondContact OG1-CD2 3.41Å |
| 1167 | P | 65.3 | Low | 70.5 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 21% | 0.214 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -86.4 | 50.4 | 179.2 | 37.6 | -37.2 | 0 | 0 | 0 | 111.4 | H1208 Y1210 | P1167-H1208 HydrophobicContact CB-CB 3.79Å; P1167-H1208 WeakPolarHBondContact CB-O 3.32Å; P1167-Y1210 WeakPolarHBondContact CB-O 3.48Å |
| 1168 | F | 70.1 | Confident | 70.4 | Confident | 43 Ų | 43 | 32 Ų | 32 | 19% | 0.189 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.2 | -172 | -56.7 | -43.3 | 0 | 0 | 0 | 112.7 | T1166 Y1170 K1204 I1206 | T1166-F1168 HydrophobicContact CG2-CD2 3.94Å; T1166-F1168 HydrophobicContact CG2-CE2 3.9Å; T1166-F1168 PolarHBondContact O-N 3.4Å; T1166-F1168 VanDerWaalsContact O-N 3.08Å; T1166-F1168 WeakPolarHBondContact OG1-CD2 3.41Å; F1168-Y1170 HydrophobicContact CB-CE2 3.99Å; F1168-K1204 HydrophobicContact CB-CG 4.44Å; F1168-I1206 HydrophobicContact CD1-CB 4.35Å; F1168-I1206 HydrophobicContact CD1-CD1 4.42Å; F1168-I1206 HydrophobicContact CD1-CG1 3.8Å; F1168-I1206 HydrophobicContact CD1-CG2 4.24Å; F1168-I1206 HydrophobicContact CE1-CB 4.42Å; F1168-I1206 HydrophobicContact CE1-CD1 4.01Å; F1168-I1206 HydrophobicContact CE1-CG1 3.85Å; F1168-I1206 HydrophobicContact CE1-CG2 3.95Å |
| 1169 | I | 74.5 | Confident | 69.6 | Low | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 130.3 | 170.2 | -50.6 | 178.2 | 0 | 0 | 0 | 108 | I1171 K1204 F1205 I1212 F1215 W1264 | I1169-I1171 HydrophobicContact CG2-CG1 4.34Å; I1169-K1204 CarbonylContact O-C 3.58Å; I1169-K1204 WeakPolarHBondContact O-CA 3.2Å; I1169-F1205 HydrophobicContact CB-CB 4.27Å; I1169-F1205 PolarHBondContact N-O 3.22Å; I1169-F1205 PolarHBondContact O-N 2.58Å; I1169-I1212 HydrophobicContact CD1-CD1 4.32Å; I1169-I1212 HydrophobicContact CG1-CD1 3.48Å; I1169-I1212 VanDerWaalsContact CG1-CD1 3.48Å; I1169-F1215 HydrophobicContact CB-CE1 4.35Å; I1169-F1215 HydrophobicContact CB-CZ 4.17Å; I1169-F1215 HydrophobicContact CD1-CE1 3.89Å; I1169-F1215 HydrophobicContact CG1-CE1 3.75Å; I1169-F1215 HydrophobicContact CG1-CZ 3.89Å; I1169-F1215 HydrophobicContact CG2-CE1 3.89Å; I1169-F1215 HydrophobicContact CG2-CZ 3.74Å; I1169-W1264 HydrophobicContact CD1-CZ2 4.41Å |
| 1170 | Y | 77.3 | Confident | 68.2 | Low | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.5 | 173.9 | -56.5 | -80 | 0 | 0 | 0 | 110.3 | F1135 L1160 L1161 E1163 F1168 Y1202 R1203 K1204 | F1135-Y1170 HydrophobicContact CZ-CD2 4.49Å; F1135-Y1170 HydrophobicContact CZ-CG 4.49Å; L1160-Y1170 CarbonylContact C-O 2.98Å; L1160-Y1170 WeakPolarHBondContact CA-O 3.4Å; L1161-Y1170 PolarHBondContact N-O 3.5Å; L1161-Y1170 PolarHBondContact O-N 2.66Å; E1163-Y1170 HydrophobicContact CB-CE2 4.48Å; E1163-Y1170 HydrophobicContact CG-CD2 4.49Å; E1163-Y1170 HydrophobicContact CG-CE2 3.72Å; E1163-Y1170 WeakPolarHBondContact OE2-CE2 3.24Å; E1163-Y1170 PolarHBondContact OE2-OH 2.7Å; F1168-Y1170 HydrophobicContact CB-CE2 3.99Å; Y1170-Y1202 AromaticContact CD1-CD2 3.5Å; Y1170-Y1202 HydrophobicContact CD1-CD2 3.5Å; Y1170-Y1202 VanDerWaalsContact CD1-CD2 3.5Å; Y1170-Y1202 AromaticContact CD1-CE2 3.33Å; Y1170-Y1202 HydrophobicContact CD1-CE2 3.33Å; Y1170-Y1202 HydrophobicContact CE1-CD2 4.29Å; Y1170-Y1202 AromaticContact CE1-CE2 3.66Å; Y1170-Y1202 HydrophobicContact CE1-CE2 3.66Å; Y1170-Y1202 HydrophobicContact CG-CD2 4.17Å; Y1170-Y1202 HydrophobicContact CG-CE2 4.24Å; Y1170-R1203 CarbonylContact C-O 3.38Å; Y1170-R1203 VanDerWaalsContact CA-O 3.24Å; Y1170-R1203 WeakPolarHBondContact CA-O 3.39Å; Y1170-K1204 HydrophobicContact CD1-CB 3.91Å; Y1170-K1204 HydrophobicContact CD1-CD 4.39Å; Y1170-K1204 HydrophobicContact CD1-CG 3.87Å; Y1170-K1204 HydrophobicContact CE1-CB 4.06Å; Y1170-K1204 HydrophobicContact CE1-CD 3.69Å; Y1170-K1204 HydrophobicContact CE1-CG 3.63Å |
| 1171 | I | 76.6 | Confident | 66.5 | Low | 24 Ų | 24 | 47.6 Ų | 47.6 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125 | -177 | -47.8 | -167.1 | 0 | 0 | 0 | 110.6 | L314 L1159 L1160 I1169 Y1202 R1203 F1205 | L314-I1171 HydrophobicContact CD1-CD1 3.76Å; L1159-I1171 WeakPolarHBondContact O-CA 3.39Å; L1160-I1171 HydrophobicContact CD2-CB 4.3Å; L1160-I1171 HydrophobicContact CD2-CD1 3.7Å; L1160-I1171 HydrophobicContact CD2-CG1 3.61Å; L1160-I1171 HydrophobicContact CD2-CG2 4.09Å; I1169-I1171 HydrophobicContact CG2-CG1 4.34Å; I1171-Y1202 CarbonylContact O-C 3.05Å; I1171-Y1202 WeakPolarHBondContact O-CA 3.4Å; I1171-Y1202 WeakPolarHBondContact O-CB 3.27Å; I1171-R1203 PolarHBondContact N-O 3.14Å; I1171-R1203 PolarHBondContact O-N 3.48Å; I1171-F1205 HydrophobicContact CD1-CD2 3.88Å; I1171-F1205 HydrophobicContact CD1-CE2 3.4Å; I1171-F1205 VanDerWaalsContact CD1-CE2 3.4Å; I1171-F1205 HydrophobicContact CD1-CZ 4.13Å; I1171-F1205 HydrophobicContact CG1-CD2 4.02Å; I1171-F1205 HydrophobicContact CG1-CE2 3.78Å |
| 1172 | T | 73.1 | Confident | 64.3 | Low | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 179.8 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 112.1 | T1158 L1159 L1161 I1200 I1201 | T1158-T1172 CarbonylContact C-O 3.39Å; T1158-T1172 WeakPolarHBondContact CA-O 3.31Å; T1158-T1172 VanDerWaalsContact CB-O 3.3Å; T1158-T1172 WeakPolarHBondContact CB-O 3.28Å; L1159-T1172 HydrophobicContact CB-CG2 3.84Å; L1159-T1172 HydrophobicContact CD2-CG2 3.76Å; L1159-T1172 HydrophobicContact CG-CG2 4.33Å; L1159-T1172 PolarHBondContact N-O 2.85Å; L1159-T1172 PolarHBondContact O-N 2.79Å; L1161-T1172 HydrophobicContact CD1-CG2 4.27Å; T1172-I1200 HydrophobicContact CG2-CG2 3.9Å; T1172-I1200 WeakPolarHBondContact OG1-CG2 3.46Å; T1172-I1201 VanDerWaalsContact CB-O 3.25Å; T1172-I1201 WeakPolarHBondContact CB-O 3.45Å; T1172-I1201 PolarHBondContact OG1-O 3.36Å |
| 1173 | S | 71.7 | Confident | 62.9 | Low | 58 Ų | 58 | 59.4 Ų | 59.4 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 156.8 | 169.1 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | Q1157 | Q1157-S1173 VanDerWaalsContact O-CA 3.29Å; Q1157-S1173 WeakPolarHBondContact O-CA 3.12Å; Q1157-S1173 PolarHBondContact O-OG 3.43Å |
| 1174 | T | 66.7 | Low | 61.2 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -84.9 | -11.3 | -179.3 | 52.9 | 0 | 0 | 0 | 0 | 114.7 | F1111 I1152 G1156 Q1157 L1159 L1176 | F1111-T1174 WeakPolarHBondContact CE1-O 3.4Å; I1152-T1174 HydrophobicContact CD1-CG2 4.37Å; I1152-T1174 HydrophobicContact CG1-CG2 4.22Å; I1152-T1174 HydrophobicContact CG2-CG2 3.79Å; G1156-T1174 WeakPolarHBondContact O-CB 3.18Å; G1156-T1174 VanDerWaalsContact O-CG2 3.26Å; G1156-T1174 WeakPolarHBondContact O-CG2 3.21Å; G1156-T1174 PolarHBondContact O-OG1 2.82Å; Q1157-T1174 PolarHBondContact O-N 3.24Å; L1159-T1174 HydrophobicContact CB-CG2 4.15Å; T1174-L1176 PolarHBondContact O-N 3.44Å |
| 1175 | N | 66.5 | Low | 60 | Low | 125 Ų | 125 | 68.3 Ų | 68.3 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | trans | -76.3 | 86.1 | -175.1 | -84 | -25.9 | 0 | 0 | 0 | 112 | ||||
| 1176 | L | 72.3 | Confident | 59.3 | Low | 17 Ų | 17 | 69.3 Ų | 69.3 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 156.7 | 178 | -46.8 | -169.3 | 0 | 0 | 0 | 112.4 | F1111 L1119 K1121 A1133 T1174 I1200 | F1111-L1176 HydrophobicContact CD1-CD1 4.39Å; F1111-L1176 HydrophobicContact CE1-CD1 4.18Å; F1111-L1176 HydrophobicContact CE1-CG 4.15Å; L1119-L1176 HydrophobicContact CB-CD1 4.12Å; K1121-L1176 HydrophobicContact CB-CD1 4.07Å; K1121-L1176 HydrophobicContact CB-CG 4.49Å; A1133-L1176 HydrophobicContact CB-CB 4.36Å; A1133-L1176 HydrophobicContact CB-CD1 4.41Å; A1133-L1176 HydrophobicContact CB-CD2 3.9Å; A1133-L1176 HydrophobicContact CB-CG 4.44Å; T1174-L1176 PolarHBondContact O-N 3.44Å; L1176-I1200 HydrophobicContact CD2-CD1 4.04Å |
| 1177 | Y | 67.4 | Low | 58.6 | Low | 102 Ų | 102 | 75.1 Ų | 75.1 | 40% | 0.4 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 123.4 | -178.8 | -65.4 | -88.4 | 0 | 0 | 0 | 112.7 | G1131 C1132 A1133 R1198 S1199 | G1131-Y1177 CarbonylContact C-O 3.12Å; G1131-Y1177 WeakPolarHBondContact CA-O 3.34Å; C1132-Y1177 PolarHBondContact N-O 3.29Å; C1132-Y1177 VanDerWaalsContact N-O 3.14Å; A1133-Y1177 HydrophobicContact CB-CD2 4.49Å; Y1177-R1198 HydrophobicContact CD2-CB 3.61Å; Y1177-R1198 HydrophobicContact CD2-CG 3.82Å; Y1177-R1198 HydrophobicContact CE2-CB 4.12Å; Y1177-R1198 HydrophobicContact CG-CB 4.18Å; Y1177-R1198 HydrophobicContact CG-CG 3.84Å; Y1177-S1199 PolarHBondContact OH-O 2.82Å |
| 1178 | P | 65.4 | Low | 57.8 | Low | 96 Ų | 96 | 79.8 Ų | 79.8 | 62% | 0.623 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 162.1 | -175.4 | 27.6 | -34.7 | 0 | 0 | 0 | 113.9 | I1130 R1198 | I1130-P1178 CarbonylContact O-C 3.56Å; I1130-P1178 VanDerWaalsContact O-CA 3.22Å; I1130-P1178 WeakPolarHBondContact O-CA 3.38Å; P1178-R1198 PolarHBondContact O-NH2 2.81Å |
| 1179 | L | 55.1 | Low | 56.5 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | trans | -102.6 | -29.8 | -174.2 | -88.8 | 174.7 | 0 | 0 | 0 | 116.9 | M1129 I1130 E1181 | M1129-L1179 HydrophobicContact CB-CD1 3.5Å; M1129-L1179 VanDerWaalsContact CB-CD1 3.5Å; M1129-L1179 HydrophobicContact CG-CD1 3.58Å; M1129-L1179 WeakPolarHBondContact O-CD1 3.45Å; M1129-L1179 HydrophobicContact SD-CD1 3.43Å; M1129-L1179 WeakPolarHBondContact SD-CD1 3.41Å; M1129-L1179 HydrophobicContact SD-CG 4.49Å; I1130-L1179 PolarHBondContact O-N 3.29Å; L1179-E1181 PolarHBondContact O-N 3.15Å | ||
| 1180 | Y | 49.5 | Very low | 55.2 | Low | 166 Ų | 166 | 93.3 Ų | 93.3 | 65% | 0.651 | 49% | 0.489 | S | S | * | . | trans | -96 | 82.6 | -175.7 | -83.2 | -87.6 | 0 | 0 | 0 | 111.9 | K1128 | K1128-Y1180 HydrophobicContact CB-CE2 4.43Å; K1128-Y1180 HydrophobicContact CD-CE2 3.77Å; K1128-Y1180 HydrophobicContact CG-CE2 4.21Å | ||
| 1181 | E | 42.1 | Very low | 53.5 | Low | 142 Ų | 142 | 98.1 Ų | 98.1 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | trans | -78.3 | 124.9 | 146.9 | -69.6 | -172.9 | 147.6 | 0 | 0 | 107.9 | L1179 I1183 | L1179-E1181 PolarHBondContact O-N 3.15Å; E1181-I1183 HydrophobicContact CB-CD1 4.32Å; E1181-I1183 HydrophobicContact CB-CG1 3.9Å; E1181-I1183 PolarHBondContact O-N 3.39Å | ||
| 1182 | N | 33 | Very low | 51.7 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | trans | -75.1 | 69.6 | 174.6 | -93.7 | -4.2 | 0 | 0 | 0 | 110.8 | S1184 | N1182-S1184 PolarHBondContact O-N 2.91Š| ||
| 1183 | I | 45.5 | Very low | 50.2 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | trans | -76.7 | 59.2 | 171.8 | -44.6 | -179.7 | 0 | 0 | 0 | 109.5 | E1181 | E1181-I1183 HydrophobicContact CB-CD1 4.32Å; E1181-I1183 HydrophobicContact CB-CG1 3.9Å; E1181-I1183 PolarHBondContact O-N 3.39Å | ||
| 1184 | S | 35.7 | Very low | 48.9 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -143.7 | 41.9 | -177.3 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | N1182 | N1182-S1184 PolarHBondContact O-N 2.91Š|
| 1185 | N | 36.8 | Very low | 47.8 | Very low | 145 Ų | 145 | 120 Ų | 120 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -155 | -16.6 | 159.3 | -101.5 | -25.5 | 0 | 0 | 0 | 113.7 | N1187 | N1185-N1187 PolarHBondContact O-N 3.12Š|
| 1186 | S | 41.1 | Very low | 46.9 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | trans | -76.1 | 111 | 163.4 | 54 | 0 | 0 | 0 | 0 | 110.3 | D1188 | S1186-D1188 PolarHBondContact O-N 2.89Å; S1186-D1188 VanDerWaalsContact O-N 3.09Å | ||
| 1187 | N | 44.4 | Very low | 46.1 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | -75.1 | 10 | -175.4 | -88.5 | -58.6 | 0 | 0 | 0 | 115.1 | N1185 K1189 | N1185-N1187 PolarHBondContact O-N 3.12Å; N1187-K1189 PolarHBondContact O-N 2.75Å | ||
| 1188 | D | 48.8 | Very low | 45.8 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | trans | -83.8 | 79.7 | -170.3 | -61.5 | -51.2 | 0 | 0 | 0 | 113.1 | S1186 N1190 | S1186-D1188 PolarHBondContact O-N 2.89Å; S1186-D1188 VanDerWaalsContact O-N 3.09Å; D1188-N1190 PolarHBondContact O-N 2.94Å | ||
| 1189 | K | 42.1 | Very low | 45.7 | Very low | 171 Ų | 171 | 119.2 Ų | 119.2 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 4.1 | -176.8 | -68.4 | -177.1 | 175.3 | 179.9 | 0 | 116.8 | N1187 I1192 | N1187-K1189 PolarHBondContact O-N 2.75Å; K1189-I1192 WeakPolarHBondContact O-CD1 3.19Å |
| 1190 | N | 48.6 | Very low | 46.6 | Very low | 158 Ų | 158 | 118.3 Ų | 118.3 | 85% | 0.845 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 11.4 | -163.6 | -68.8 | 0 | 0 | 0 | 0 | 115.6 | D1188 | D1188-N1190 PolarHBondContact O-N 2.94Š|
| 1191 | N | 40.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 58% | 0.578 | 62% | 0.62 | S | S | * | * | trans | -117 | 18.1 | -176.7 | -102.6 | -60.5 | 0 | 0 | 0 | 114.9 | N1193 | N1191-N1193 VanDerWaalsContact C-N 3.27Å; N1191-N1193 PolarHBondContact O-N 3.49Å; N1191-N1193 VanDerWaalsContact O-N 3.11Å | ||
| 1192 | I | 40.4 | Very low | 49 | Very low | 144 Ų | 144 | 113.9 Ų | 113.9 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -20.4 | -165.2 | -66.9 | 172.9 | 0 | 0 | 0 | 114.8 | K1189 K1194 | K1189-I1192 WeakPolarHBondContact O-CD1 3.19Å; I1192-K1194 PolarHBondContact O-N 2.87Å |
| 1193 | N | 41.7 | Very low | 50.3 | Low | 152 Ų | 152 | 114.4 Ų | 114.4 | 81% | 0.813 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 14.3 | -172.5 | -70.9 | 12.6 | 0 | 0 | 0 | 115.6 | N1191 T1195 | N1191-N1193 VanDerWaalsContact C-N 3.27Å; N1191-N1193 PolarHBondContact O-N 3.49Å; N1191-N1193 VanDerWaalsContact O-N 3.11Å; N1193-T1195 PolarHBondContact O-N 3.2Å; N1193-T1195 VanDerWaalsContact O-N 3.1Å |
| 1194 | K | 44.6 | Very low | 51.2 | Low | 164 Ų | 164 | 113.2 Ų | 113.2 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | trans | -78 | 94.1 | 174.2 | -81.4 | 179.3 | 176.5 | 165.5 | 0 | 111.2 | I1192 L1196 | I1192-K1194 PolarHBondContact O-N 2.87Å; K1194-L1196 PolarHBondContact O-N 2.96Å | ||
| 1195 | T | 42.2 | Very low | 52.2 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | trans | -61.8 | 121.6 | 176.6 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | N1193 N1197 | N1193-T1195 PolarHBondContact O-N 3.2Å; N1193-T1195 VanDerWaalsContact O-N 3.1Å; T1195-N1197 PolarHBondContact O-N 2.91Å | ||
| 1196 | L | 47.3 | Very low | 53 | Low | 114 Ų | 114 | 109.9 Ų | 109.9 | 60% | 0.597 | 56% | 0.557 | S | S | * | * | trans | -77.2 | 98.4 | 173.5 | -74.4 | 143.5 | 0 | 0 | 0 | 109.8 | K1194 R1198 | K1194-L1196 PolarHBondContact O-N 2.96Å; L1196-R1198 HydrophobicContact CB-CG 4.3Å; L1196-R1198 PolarHBondContact O-N 2.81Å | ||
| 1197 | N | 56.3 | Low | 53.4 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | trans | -63.6 | 125.8 | 164.9 | -89.4 | 9.5 | 0 | 0 | 0 | 109.1 | T1195 | T1195-N1197 PolarHBondContact O-N 2.91Š| ||
| 1198 | R | 61.3 | Low | 53.8 | Low | 23 Ų | 23 | 102 Ų | 102 | 9% | 0.087 | 52% | 0.518 | C | S | . | . | trans | -127.1 | 36.9 | -174.2 | -69.2 | 176.3 | 162.3 | 171.2 | -5.3 | 112.3 | C1132 A1133 E1134 Y1177 P1178 L1196 | C1132-R1198 PolarHBondContact SG-NH1 2.89Å; A1133-R1198 CarbonylContact C-O 3.51Å; A1133-R1198 WeakPolarHBondContact CA-O 3.43Å; A1133-R1198 VanDerWaalsContact CB-O 3.26Å; A1133-R1198 WeakPolarHBondContact CB-O 3.19Å; E1134-R1198 PolarHBondContact N-O 2.65Å; Y1177-R1198 HydrophobicContact CD2-CB 3.61Å; Y1177-R1198 HydrophobicContact CD2-CG 3.82Å; Y1177-R1198 HydrophobicContact CE2-CB 4.12Å; Y1177-R1198 HydrophobicContact CG-CB 4.18Å; Y1177-R1198 HydrophobicContact CG-CG 3.84Å; P1178-R1198 PolarHBondContact O-NH2 2.81Å; L1196-R1198 HydrophobicContact CB-CG 4.3Å; L1196-R1198 PolarHBondContact O-N 2.81Å | ||
| 1199 | S | 64 | Low | 53.8 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 147.2 | -179 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | E1134 Y1177 | E1134-S1199 WeakPolarHBondContact O-CA 3.47Å; Y1177-S1199 PolarHBondContact OH-O 2.82Å |
| 1200 | I | 72.8 | Confident | 54.5 | Low | 27 Ų | 27 | 97.1 Ų | 97.1 | 14% | 0.138 | 49% | 0.493 | C | S | . | . | trans | -93.9 | 146.8 | -177.5 | -83.7 | 160.8 | 0 | 0 | 0 | 113.4 | L1119 A1133 E1134 F1135 T1172 L1176 | L1119-I1200 HydrophobicContact CB-CD1 4.43Å; L1119-I1200 HydrophobicContact CD1-CD1 3.37Å; A1133-I1200 HydrophobicContact CB-CD1 3.5Å; A1133-I1200 VanDerWaalsContact CB-CD1 3.5Å; A1133-I1200 HydrophobicContact CB-CG1 3.79Å; E1134-I1200 PolarHBondContact O-N 3.4Å; E1134-I1200 VanDerWaalsContact O-N 3.08Å; F1135-I1200 HydrophobicContact CD2-CG2 4.26Å; T1172-I1200 HydrophobicContact CG2-CG2 3.9Å; T1172-I1200 WeakPolarHBondContact OG1-CG2 3.46Å; L1176-I1200 HydrophobicContact CD2-CD1 4.04Å | ||
| 1201 | I | 66.6 | Low | 54.9 | Low | 145 Ų | 145 | 91.4 Ų | 91.4 | 74% | 0.744 | 47% | 0.465 | S | S | * | . | trans | -105.1 | 136.4 | 177.1 | -56.7 | 172.7 | 0 | 0 | 0 | 110 | T1172 | T1172-I1201 VanDerWaalsContact CB-O 3.25Å; T1172-I1201 WeakPolarHBondContact CB-O 3.45Å; T1172-I1201 PolarHBondContact OG1-O 3.36Å | ||
| 1202 | Y | 75.5 | Confident | 56 | Low | 70 Ų | 70 | 86.2 Ų | 86.2 | 28% | 0.275 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 154.7 | -175.4 | 60.2 | -95.6 | 0 | 0 | 0 | 114.5 | F1135 V1138 Y1170 I1171 | F1135-Y1202 HydrophobicContact CD2-CD1 4.08Å; F1135-Y1202 HydrophobicContact CD2-CE1 4.28Å; F1135-Y1202 AromaticContact CE2-CD1 3.43Å; F1135-Y1202 HydrophobicContact CE2-CD1 3.43Å; F1135-Y1202 VanDerWaalsContact CE2-CD1 3.43Å; F1135-Y1202 AromaticContact CE2-CE1 3.56Å; F1135-Y1202 HydrophobicContact CE2-CE1 3.56Å; F1135-Y1202 AromaticContact CE2-CG 4Å; F1135-Y1202 HydrophobicContact CE2-CG 4Å; F1135-Y1202 HydrophobicContact CZ-CD1 4.33Å; F1135-Y1202 HydrophobicContact CZ-CE1 4.09Å; V1138-Y1202 WeakPolarHBondContact CG2-OH 3.28Å; Y1170-Y1202 AromaticContact CD1-CD2 3.5Å; Y1170-Y1202 HydrophobicContact CD1-CD2 3.5Å; Y1170-Y1202 VanDerWaalsContact CD1-CD2 3.5Å; Y1170-Y1202 AromaticContact CD1-CE2 3.33Å; Y1170-Y1202 HydrophobicContact CD1-CE2 3.33Å; Y1170-Y1202 HydrophobicContact CE1-CD2 4.29Å; Y1170-Y1202 AromaticContact CE1-CE2 3.66Å; Y1170-Y1202 HydrophobicContact CE1-CE2 3.66Å; Y1170-Y1202 HydrophobicContact CG-CD2 4.17Å; Y1170-Y1202 HydrophobicContact CG-CE2 4.24Å; I1171-Y1202 CarbonylContact O-C 3.05Å; I1171-Y1202 WeakPolarHBondContact O-CA 3.4Å; I1171-Y1202 WeakPolarHBondContact O-CB 3.27Å |
| 1203 | R | 61.6 | Low | 57.2 | Low | 135 Ų | 135 | 80 Ų | 80 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 162.6 | 164.9 | -73.2 | -174.7 | 176.8 | 164.5 | 2.7 | 110.7 | D311 Y1170 I1171 F1205 | D311-R1203 IonicContact OD1-CZ 2.69Å; D311-R1203 IonicContact OD1-NH1 3.81Å; D311-R1203 PolarHBondContact OD1-NH1 3.14Å; D311-R1203 IonicContact OD1-NH2 3.19Å; D311-R1203 PolarHBondContact OD1-NH2 2.89Å; Y1170-R1203 CarbonylContact C-O 3.38Å; Y1170-R1203 VanDerWaalsContact CA-O 3.24Å; Y1170-R1203 WeakPolarHBondContact CA-O 3.39Å; I1171-R1203 PolarHBondContact N-O 3.14Å; I1171-R1203 PolarHBondContact O-N 3.48Å; R1203-F1205 HydrophobicContact CB-CE2 4.22Å |
| 1204 | K | 63 | Low | 58.4 | Low | 98 Ų | 98 | 74.1 Ų | 74.1 | 43% | 0.426 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.3 | -176.6 | -178.2 | -176.8 | -174.3 | 170.8 | 0 | 111.9 | F1168 I1169 Y1170 | F1168-K1204 HydrophobicContact CB-CG 4.44Å; I1169-K1204 CarbonylContact O-C 3.58Å; I1169-K1204 WeakPolarHBondContact O-CA 3.2Å; Y1170-K1204 HydrophobicContact CD1-CB 3.91Å; Y1170-K1204 HydrophobicContact CD1-CD 4.39Å; Y1170-K1204 HydrophobicContact CD1-CG 3.87Å; Y1170-K1204 HydrophobicContact CE1-CB 4.06Å; Y1170-K1204 HydrophobicContact CE1-CD 3.69Å; Y1170-K1204 HydrophobicContact CE1-CG 3.63Å |
| 1205 | F | 56.2 | Low | 59.8 | Low | 45 Ų | 45 | 66.3 Ų | 66.3 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.9 | 176.9 | -60.8 | -103.3 | 0 | 0 | 0 | 111.3 | L314 I1169 I1171 R1203 | L314-F1205 HydrophobicContact CB-CD1 4.23Å; L314-F1205 HydrophobicContact CB-CE1 4Å; L314-F1205 HydrophobicContact CD1-CD1 4.49Å; I1169-F1205 HydrophobicContact CB-CB 4.27Å; I1169-F1205 PolarHBondContact N-O 3.22Å; I1169-F1205 PolarHBondContact O-N 2.58Å; I1171-F1205 HydrophobicContact CD1-CD2 3.88Å; I1171-F1205 HydrophobicContact CD1-CE2 3.4Å; I1171-F1205 VanDerWaalsContact CD1-CE2 3.4Å; I1171-F1205 HydrophobicContact CD1-CZ 4.13Å; I1171-F1205 HydrophobicContact CG1-CD2 4.02Å; I1171-F1205 HydrophobicContact CG1-CE2 3.78Å; R1203-F1205 HydrophobicContact CB-CE2 4.22Å |
| 1206 | I | 53.8 | Low | 61.3 | Low | 116 Ų | 116 | 62.3 Ų | 62.3 | 60% | 0.595 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.7 | -171.1 | -49.9 | -177.6 | 0 | 0 | 0 | 108.7 | F1168 | F1168-I1206 HydrophobicContact CD1-CB 4.35Å; F1168-I1206 HydrophobicContact CD1-CD1 4.42Å; F1168-I1206 HydrophobicContact CD1-CG1 3.8Å; F1168-I1206 HydrophobicContact CD1-CG2 4.24Å; F1168-I1206 HydrophobicContact CE1-CB 4.42Å; F1168-I1206 HydrophobicContact CE1-CD1 4.01Å; F1168-I1206 HydrophobicContact CE1-CG1 3.85Å; F1168-I1206 HydrophobicContact CE1-CG2 3.95Å |
| 1207 | G | 50.4 | Low | 62.3 | Low | 42 Ų | 42 | 57.7 Ų | 57.7 | 43% | 0.433 | 29% | 0.29 | S | S | . | . | trans | 160 | -14 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1208 | H | 53 | Low | 62.6 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | trans | -80.3 | 152.4 | 177.9 | -70.9 | -80.6 | 0 | 0 | 0 | 112.3 | P1167 I1212 S1226 D1228 F1262 W1264 | P1167-H1208 HydrophobicContact CB-CB 3.79Å; P1167-H1208 WeakPolarHBondContact CB-O 3.32Å; H1208-I1212 HydrophobicContact CB-CD1 4.46Å; H1208-I1212 HydrophobicContact CB-CG1 4.24Å; H1208-I1212 VanDerWaalsContact CD2-CD1 3.43Å; H1208-I1212 WeakPolarHBondContact CD2-CD1 3.33Å; H1208-S1226 PolarHBondContact CE1-OG 2.92Å; H1208-S1226 PolarHBondContact NE2-OG 3.46Å; H1208-D1228 IonicContact CE1-OD1 2.69Å; H1208-D1228 IonicContact CG-OD1 3.91Å; H1208-D1228 IonicContact ND1-OD1 3.4Å; H1208-D1228 PolarHBondContact ND1-OD1 2.96Å; H1208-D1228 IonicContact ND1-OD2 2.69Å; H1208-F1262 AromaticContact CE1-CD2 3.32Å; H1208-F1262 WeakPolarHBondContact CE1-CD2 3.26Å; H1208-F1262 AromaticContact CE1-CG 3.75Å; H1208-F1262 AromaticContact ND1-CD2 3.29Å; H1208-F1262 VanDerWaalsContact ND1-CD2 3.29Å; H1208-F1262 WeakPolarHBondContact ND1-CD2 3.5Å; H1208-F1262 AromaticContact ND1-CE2 3.48Å; H1208-F1262 WeakPolarHBondContact ND1-CE2 3.37Å; H1208-W1264 AromaticContact CD2-CZ2 4Å; H1208-W1264 AromaticContact NE2-CE2 3.93Å; H1208-W1264 AromaticContact NE2-CZ2 3.55Å; H1208-W1264 AromaticContact NE2-NE1 3.71Å | ||
| 1209 | I | 49 | Very low | 62.4 | Low | 117 Ų | 117 | 55.3 Ų | 55.3 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -95.6 | -33.1 | -179.2 | -60.5 | 176.2 | 0 | 0 | 0 | 110.3 | D1228 | I1209-D1228 PolarHBondContact N-OD2 2.82Š|
| 1210 | Y | 55.2 | Low | 62.2 | Low | 82 Ų | 82 | 54.2 Ų | 54.2 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -126.4 | 165.2 | 179.5 | -53 | -76.9 | 0 | 0 | 0 | 111.3 | P1167 I1212 D1228 K1229 A1258 | P1167-Y1210 WeakPolarHBondContact CB-O 3.48Å; Y1210-I1212 PolarHBondContact O-N 3.22Å; Y1210-D1228 HydrophobicContact CD2-CB 4.25Å; Y1210-D1228 PolarHBondContact N-OD2 2.86Å; Y1210-K1229 VanDerWaalsContact CB-O 3.25Å; Y1210-K1229 WeakPolarHBondContact CB-O 3.36Å; Y1210-A1258 WeakPolarHBondContact CE2-O 3.35Å |
| 1211 | P | 57.7 | Low | 61.6 | Low | 38 Ų | 38 | 54.4 Ų | 54.4 | 25% | 0.247 | 28% | 0.284 | C | S | . | . | trans | -58.5 | 139.6 | 176.3 | -25 | 35.7 | 0 | 0 | 0 | 112.5 | K1229 | P1211-K1229 WeakPolarHBondContact O-CB 3.48Å; P1211-K1229 PolarHBondContact O-N 2.91Å | ||
| 1212 | I | 63.4 | Low | 61.5 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.1 | -170.6 | -54.1 | 172.8 | 0 | 0 | 0 | 109.9 | N1148 A1162 I1169 H1208 Y1210 F1215 I1227 | N1148-I1212 PolarHBondContact ND2-O 3.4Å; A1162-I1212 HydrophobicContact CB-CB 4.16Å; I1169-I1212 HydrophobicContact CD1-CD1 4.32Å; I1169-I1212 HydrophobicContact CG1-CD1 3.48Å; I1169-I1212 VanDerWaalsContact CG1-CD1 3.48Å; H1208-I1212 HydrophobicContact CB-CD1 4.46Å; H1208-I1212 HydrophobicContact CB-CG1 4.24Å; H1208-I1212 VanDerWaalsContact CD2-CD1 3.43Å; H1208-I1212 WeakPolarHBondContact CD2-CD1 3.33Å; Y1210-I1212 PolarHBondContact O-N 3.22Å; I1212-F1215 HydrophobicContact CD1-CE1 4.26Å; I1212-F1215 HydrophobicContact CD1-CZ 4.17Å; I1212-F1215 HydrophobicContact CG2-CE1 3.99Å; I1212-F1215 HydrophobicContact CG2-CZ 4.13Å; I1212-I1227 CarbonylContact C-O 3.08Å; I1212-I1227 WeakPolarHBondContact CA-O 3.47Å |
| 1213 | D | 65.6 | Low | 61.2 | Low | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -40.1 | 177.4 | -163.6 | 52.4 | 0 | 0 | 0 | 114 | K1013 N1148 A1149 I1227 K1229 | K1013-D1213 IonicContact NZ-OD1 3.83Å; K1013-D1213 IonicContact NZ-OD2 2.94Å; K1013-D1213 PolarHBondContact NZ-OD2 2.98Å; N1148-D1213 WeakPolarHBondContact ND2-CA 3.19Å; N1148-D1213 PolarHBondContact ND2-O 3.02Å; N1148-D1213 PolarHBondContact ND2-OD1 2.75Å; A1149-D1213 WeakPolarHBondContact CB-O 3.15Å; D1213-I1227 PolarHBondContact N-O 3.46Å; D1213-K1229 HydrophobicContact CB-CG 4.27Å; D1213-K1229 VanDerWaalsContact CG-CE 3.5Å; D1213-K1229 WeakPolarHBondContact OD1-CE 3.49Å; D1213-K1229 IonicContact OD1-NZ 3.33Å; D1213-K1229 PolarHBondContact OD1-NZ 2.95Å |
| 1214 | N | 67.3 | Low | 61.7 | Low | 30 Ų | 30 | 46.7 Ų | 46.7 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 161.3 | -167.3 | -151.1 | -12.4 | 0 | 0 | 0 | 113 | T810 Y1216 | T810-N1214 PolarHBondContact OG1-ND2 3.25Å; N1214-Y1216 HydrophobicContact CB-CE2 4.16Å; N1214-Y1216 PolarHBondContact ND2-OH 3.25Å |
| 1215 | F | 73.9 | Confident | 62 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131 | 176.9 | -68.8 | -61.3 | 0 | 0 | 0 | 111.7 | A1149 K1151 L1160 A1162 I1169 I1212 | A1149-F1215 HydrophobicContact CB-CD2 3.81Å; A1149-F1215 HydrophobicContact CB-CE2 3.96Å; K1151-F1215 HydrophobicContact CB-CB 3.96Å; L1160-F1215 HydrophobicContact CB-CD2 4Å; L1160-F1215 HydrophobicContact CB-CE2 4.23Å; L1160-F1215 HydrophobicContact CB-CG 4.34Å; L1160-F1215 HydrophobicContact CD1-CB 4.23Å; L1160-F1215 HydrophobicContact CD1-CD1 4.23Å; L1160-F1215 HydrophobicContact CD1-CG 4.13Å; A1162-F1215 HydrophobicContact CB-CE2 3.67Å; A1162-F1215 HydrophobicContact CB-CZ 3.81Å; I1169-F1215 HydrophobicContact CB-CE1 4.35Å; I1169-F1215 HydrophobicContact CB-CZ 4.17Å; I1169-F1215 HydrophobicContact CD1-CE1 3.89Å; I1169-F1215 HydrophobicContact CG1-CE1 3.75Å; I1169-F1215 HydrophobicContact CG1-CZ 3.89Å; I1169-F1215 HydrophobicContact CG2-CE1 3.89Å; I1169-F1215 HydrophobicContact CG2-CZ 3.74Å; I1212-F1215 HydrophobicContact CD1-CE1 4.26Å; I1212-F1215 HydrophobicContact CD1-CZ 4.17Å; I1212-F1215 HydrophobicContact CG2-CE1 3.99Å; I1212-F1215 HydrophobicContact CG2-CZ 4.13Å |
| 1216 | Y | 72.7 | Confident | 62.6 | Low | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132 | 169.8 | -71.8 | -84.3 | 0 | 0 | 0 | 110.5 | T810 L812 L824 N1214 C1224 I1225 | T810-Y1216 VanDerWaalsContact CB-OH 3.31Å; T810-Y1216 WeakPolarHBondContact CB-OH 3.49Å; T810-Y1216 HydrophobicContact CG2-CE2 4.26Å; T810-Y1216 PolarHBondContact O-OH 3.07Å; T810-Y1216 WeakPolarHBondContact OG1-CE2 3.24Å; T810-Y1216 PolarHBondContact OG1-OH 3.47Å; L812-Y1216 HydrophobicContact CB-CD1 3.42Å; L812-Y1216 VanDerWaalsContact CB-CD1 3.42Å; L812-Y1216 HydrophobicContact CB-CE1 3.85Å; L812-Y1216 HydrophobicContact CB-CG 4.26Å; L812-Y1216 HydrophobicContact CD1-CD1 4.37Å; L812-Y1216 HydrophobicContact CD1-CG 4.49Å; L812-Y1216 HydrophobicContact CG-CD1 4.41Å; L824-Y1216 HydrophobicContact CD1-CD2 4.29Å; L824-Y1216 HydrophobicContact CD1-CG 4.31Å; N1214-Y1216 HydrophobicContact CB-CE2 4.16Å; N1214-Y1216 PolarHBondContact ND2-OH 3.25Å; Y1216-C1224 CarbonylContact O-C 3.02Å; Y1216-C1224 VanDerWaalsContact O-CA 3.28Å; Y1216-C1224 WeakPolarHBondContact O-CA 3.17Å; Y1216-I1225 PolarHBondContact N-O 3.26Å; Y1216-I1225 PolarHBondContact O-N 3.5Å |
| 1217 | I | 69.3 | Low | 62.8 | Low | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.7 | 179.8 | -56.4 | 165.6 | 0 | 0 | 0 | 107 | K1151 T1153 P1154 L1160 F1266 | K1151-I1217 HydrophobicContact CB-CD1 4.01Å; K1151-I1217 HydrophobicContact CG-CD1 3.83Å; K1151-I1217 HydrophobicContact CG-CG1 4.32Å; T1153-I1217 HydrophobicContact CG2-CD1 3.84Å; T1153-I1217 HydrophobicContact CG2-CG2 4.35Å; P1154-I1217 VanDerWaalsContact CD-CG2 3.48Å; P1154-I1217 HydrophobicContact CG-CG2 4.09Å; L1160-I1217 HydrophobicContact CD1-CD1 3.66Å; L1160-I1217 HydrophobicContact CD1-CG1 3.87Å; L1160-I1217 HydrophobicContact CG-CD1 4.07Å; I1217-F1266 HydrophobicContact CG2-CE2 3.99Å |
| 1218 | T | 63.3 | Low | 63.1 | Low | 10 Ų | 10 | 32.6 Ų | 32.6 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | trans | -68.4 | 140.9 | 176.4 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | G1220 G1221 Y1223 | T1218-G1220 PolarHBondContact O-N 3.49Å; T1218-G1220 VanDerWaalsContact O-N 3.12Å; T1218-G1221 WeakPolarHBondContact O-CA 3.24Å; T1218-G1221 PolarHBondContact O-N 3.09Å; T1218-Y1223 PolarHBondContact N-O 3.38Å; T1218-Y1223 PolarHBondContact OG1-N 3.44Å; T1218-Y1223 PolarHBondContact OG1-O 3.05Å | ||
| 1219 | L | 56.5 | Low | 63.1 | Low | 98 Ų | 98 | 34.7 Ų | 34.7 | 51% | 0.513 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33 | -178 | -91.4 | 178.3 | 0 | 0 | 0 | 114.3 | H814 P1154 G1221 | H814-L1219 HydrophobicContact CB-CD1 3.89Å; H814-L1219 VanDerWaalsContact CD2-CG 3.5Å; H814-L1219 WeakPolarHBondContact CD2-CG 3.27Å; H814-L1219 PolarHBondContact CE1-N 3.38Å; H814-L1219 PolarHBondContact NE2-N 3.03Å; P1154-L1219 HydrophobicContact CB-CD2 4.21Å; P1154-L1219 HydrophobicContact CG-CD2 4.42Å; L1219-G1221 PolarHBondContact O-N 2.85Å |
| 1220 | G | 59.6 | Low | 62.9 | Low | 28 Ų | 28 | 29.2 Ų | 29.2 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -1.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1218 R1222 | T1218-G1220 PolarHBondContact O-N 3.49Å; T1218-G1220 VanDerWaalsContact O-N 3.12Å; G1220-R1222 PolarHBondContact O-N 2.96Å; G1220-R1222 VanDerWaalsContact O-N 3.16Å |
| 1221 | G | 59.2 | Low | 62.2 | Low | 30 Ų | 30 | 30.3 Ų | 30.3 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 68.2 | 8.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1218 L1219 F1266 | T1218-G1221 WeakPolarHBondContact O-CA 3.24Å; T1218-G1221 PolarHBondContact O-N 3.09Å; L1219-G1221 PolarHBondContact O-N 2.85Å; G1221-F1266 VanDerWaalsContact O-CB 3.28Å; G1221-F1266 WeakPolarHBondContact O-CB 3.43Å; G1221-F1266 WeakPolarHBondContact O-CD2 3.49Å; G1221-F1266 WeakPolarHBondContact O-CG 3.13Å |
| 1222 | R | 65.1 | Low | 60.8 | Low | 146 Ų | 146 | 37.4 Ų | 37.4 | 55% | 0.551 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -94.7 | -17.5 | -173.1 | -67.8 | -173.3 | -172.2 | -176.1 | 1.9 | 115.2 | G1220 K1265 F1266 | G1220-R1222 PolarHBondContact O-N 2.96Å; G1220-R1222 VanDerWaalsContact O-N 3.16Å; R1222-K1265 CarbonylContact O-C 3.4Å; R1222-K1265 WeakPolarHBondContact O-CA 3.13Å; R1222-F1266 PolarHBondContact O-N 2.85Å |
| 1223 | Y | 68.9 | Low | 59.1 | Low | 41 Ų | 41 | 42.4 Ų | 42.4 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142 | -179.5 | -62.3 | -88.2 | 0 | 0 | 0 | 112.6 | F840 T1218 W1264 K1265 | F840-Y1223 AromaticContact CD1-CE2 3.84Å; F840-Y1223 HydrophobicContact CD1-CE2 3.84Å; F840-Y1223 AromaticContact CD1-CZ 3.85Å; F840-Y1223 HydrophobicContact CE1-CD1 4.12Å; F840-Y1223 AromaticContact CE1-CD2 3.66Å; F840-Y1223 HydrophobicContact CE1-CD2 3.66Å; F840-Y1223 AromaticContact CE1-CE1 3.73Å; F840-Y1223 HydrophobicContact CE1-CE1 3.73Å; F840-Y1223 AromaticContact CE1-CE2 3.22Å; F840-Y1223 HydrophobicContact CE1-CE2 3.22Å; F840-Y1223 HydrophobicContact CE1-CG 4.09Å; F840-Y1223 AromaticContact CE1-CZ 3.26Å; F840-Y1223 HydrophobicContact CE2-CD2 4.03Å; F840-Y1223 HydrophobicContact CE2-CE2 4.07Å; F840-Y1223 HydrophobicContact CG-CE2 4.47Å; F840-Y1223 HydrophobicContact CZ-CD1 4.25Å; F840-Y1223 AromaticContact CZ-CD2 3.32Å; F840-Y1223 HydrophobicContact CZ-CD2 3.32Å; F840-Y1223 HydrophobicContact CZ-CE1 4.29Å; F840-Y1223 AromaticContact CZ-CE2 3.38Å; F840-Y1223 HydrophobicContact CZ-CE2 3.38Å; F840-Y1223 AromaticContact CZ-CG 3.79Å; F840-Y1223 HydrophobicContact CZ-CG 3.79Å; F840-Y1223 AromaticContact CZ-CZ 3.89Å; T1218-Y1223 PolarHBondContact N-O 3.38Å; T1218-Y1223 PolarHBondContact OG1-N 3.44Å; T1218-Y1223 PolarHBondContact OG1-O 3.05Å; Y1223-W1264 CarbonylContact C-O 3.45Å; Y1223-W1264 WeakPolarHBondContact CA-O 3.4Å; Y1223-W1264 WeakPolarHBondContact CB-O 3.4Å; Y1223-W1264 WeakPolarHBondContact CD1-O 3.08Å; Y1223-K1265 HydrophobicContact CD1-CB 3.81Å; Y1223-K1265 HydrophobicContact CD1-CG 4.42Å; Y1223-K1265 HydrophobicContact CE1-CB 3.63Å; Y1223-K1265 HydrophobicContact CE1-CD 4.24Å; Y1223-K1265 HydrophobicContact CE1-CG 3.94Å |
| 1224 | C | 72.5 | Confident | 57.1 | Low | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.3 | 174 | -168.4 | 0 | 0 | 0 | 0 | 110.2 | L314 Y1216 W1264 F1266 | L314-C1224 HydrophobicContact CD2-CB 4.37Å; Y1216-C1224 CarbonylContact O-C 3.02Å; Y1216-C1224 VanDerWaalsContact O-CA 3.28Å; Y1216-C1224 WeakPolarHBondContact O-CA 3.17Å; C1224-W1264 HydrophobicContact CB-CB 4.33Å; C1224-W1264 PolarHBondContact N-O 3.2Å; C1224-W1264 PolarHBondContact O-N 3.29Å; C1224-F1266 HydrophobicContact CB-CD2 4.39Å; C1224-F1266 HydrophobicContact CB-CE2 3.63Å; C1224-F1266 HydrophobicContact CB-CZ 3.94Å |
| 1225 | I | 70.6 | Confident | 55.2 | Low | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.9 | 176.2 | -49.1 | 178.2 | 0 | 0 | 0 | 108.3 | L824 I838 Y1216 I1261 F1262 M1263 | L824-I1225 HydrophobicContact CD2-CD1 4.08Å; L824-I1225 HydrophobicContact CD2-CG2 4.32Å; I838-I1225 HydrophobicContact CD1-CD1 3.54Å; Y1216-I1225 PolarHBondContact N-O 3.26Å; Y1216-I1225 PolarHBondContact O-N 3.5Å; I1225-I1261 HydrophobicContact CG2-CG2 3.99Å; I1225-F1262 WeakPolarHBondContact CA-O 3.48Å; I1225-F1262 WeakPolarHBondContact CG2-O 3.39Å; I1225-M1263 HydrophobicContact CD1-CE 4.06Å; I1225-M1263 HydrophobicContact CG1-CE 4.3Å; I1225-M1263 HydrophobicContact CG1-CG 4.27Å; I1225-M1263 HydrophobicContact CG2-CG 4.25Å |
| 1226 | S | 68.1 | Low | 53 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.6 | -179.7 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | H1208 F1262 W1264 | H1208-S1226 PolarHBondContact CE1-OG 2.92Å; H1208-S1226 PolarHBondContact NE2-OG 3.46Å; S1226-F1262 PolarHBondContact N-O 3.35Å; S1226-F1262 VanDerWaalsContact N-O 3.08Å; S1226-F1262 PolarHBondContact O-N 3.44Å; S1226-W1264 PolarHBondContact OG-NE1 3.29Å |
| 1227 | I | 58.5 | Low | 50.7 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.5 | -159.9 | -60 | 172.6 | 0 | 0 | 0 | 111 | I807 T810 T826 I1212 D1213 I1261 | I807-I1227 HydrophobicContact CB-CG2 4.2Å; I807-I1227 HydrophobicContact CD1-CG2 3.51Å; I807-I1227 HydrophobicContact CG1-CG2 4.43Å; I807-I1227 HydrophobicContact CG2-CG2 4.2Å; T810-I1227 HydrophobicContact CG2-CD1 3.76Å; T826-I1227 HydrophobicContact CG2-CD1 3.95Å; I1212-I1227 CarbonylContact C-O 3.08Å; I1212-I1227 WeakPolarHBondContact CA-O 3.47Å; D1213-I1227 PolarHBondContact N-O 3.46Å; I1227-I1261 HydrophobicContact CG1-CG1 4.33Å; I1227-I1261 HydrophobicContact CG1-CG2 4.27Å; I1227-I1261 HydrophobicContact CG2-CG1 4.5Å |
| 1228 | D | 56.6 | Low | 48.6 | Very low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.011 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.1 | -168.3 | -82.9 | 27.2 | 0 | 0 | 0 | 115.2 | H1208 I1209 Y1210 G1230 S1259 S1260 | H1208-D1228 IonicContact CE1-OD1 2.69Å; H1208-D1228 IonicContact CG-OD1 3.91Å; H1208-D1228 IonicContact ND1-OD1 3.4Å; H1208-D1228 PolarHBondContact ND1-OD1 2.96Å; H1208-D1228 IonicContact ND1-OD2 2.69Å; I1209-D1228 PolarHBondContact N-OD2 2.82Å; Y1210-D1228 HydrophobicContact CD2-CB 4.25Å; Y1210-D1228 PolarHBondContact N-OD2 2.86Å; D1228-G1230 PolarHBondContact O-N 2.82Å; D1228-S1259 WeakPolarHBondContact O-CB 3.43Å; D1228-S1260 PolarHBondContact N-O 2.85Å |
| 1229 | K | 52 | Low | 46.7 | Very low | 57 Ų | 57 | 81 Ų | 81 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | trans | -86.8 | 94.6 | 176.1 | -77 | 179.4 | 170.5 | 160 | 0 | 114.2 | N1148 Y1210 P1211 D1213 Y1231 | N1148-K1229 PolarHBondContact ND2-NZ 2.9Å; N1148-K1229 PolarHBondContact OD1-NZ 3.27Å; Y1210-K1229 VanDerWaalsContact CB-O 3.25Å; Y1210-K1229 WeakPolarHBondContact CB-O 3.36Å; P1211-K1229 WeakPolarHBondContact O-CB 3.48Å; P1211-K1229 PolarHBondContact O-N 2.91Å; D1213-K1229 HydrophobicContact CB-CG 4.27Å; D1213-K1229 VanDerWaalsContact CG-CE 3.5Å; D1213-K1229 WeakPolarHBondContact OD1-CE 3.49Å; D1213-K1229 IonicContact OD1-NZ 3.33Å; D1213-K1229 PolarHBondContact OD1-NZ 2.95Å; K1229-Y1231 HydrophobicContact CB-CD2 4.4Å; K1229-Y1231 PolarHBondContact O-N 3.22Å | ||
| 1230 | G | 44.8 | Very low | 45.1 | Very low | 2 Ų | 2 | 84.8 Ų | 84.8 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | trans | -71.3 | 42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | D1228 A1258 | D1228-G1230 PolarHBondContact O-N 2.82Å; G1230-A1258 WeakPolarHBondContact CA-O 3.48Å | ||
| 1231 | Y | 41.4 | Very low | 43.5 | Very low | 104 Ų | 104 | 89.6 Ų | 89.6 | 41% | 0.408 | 43% | 0.432 | S | S | . | . | trans | -106.1 | 118.3 | -176 | -74.2 | -83.9 | 0 | 0 | 0 | 113.2 | P806 I829 K1229 | P806-Y1231 HydrophobicContact CB-CD2 3.94Å; P806-Y1231 HydrophobicContact CB-CE2 3.57Å; P806-Y1231 HydrophobicContact CG-CD1 4.11Å; P806-Y1231 HydrophobicContact CG-CD2 3.93Å; P806-Y1231 HydrophobicContact CG-CE1 3.59Å; P806-Y1231 HydrophobicContact CG-CE2 3.39Å; P806-Y1231 HydrophobicContact CG-CG 4.28Å; P806-Y1231 WeakPolarHBondContact CG-OH 3.15Å; I829-Y1231 WeakPolarHBondContact CD1-OH 3.35Å; K1229-Y1231 HydrophobicContact CB-CD2 4.4Å; K1229-Y1231 PolarHBondContact O-N 3.22Å | ||
| 1232 | W | 27 | Very low | 41.9 | Very low | 187 Ų | 187 | 95.7 Ų | 95.7 | 71% | 0.708 | 46% | 0.457 | S | S | * | . | trans | -122.5 | 135.6 | 153.5 | -130.5 | 57.1 | 0 | 0 | 0 | 109.4 | K1257 | W1232-K1257 VanDerWaalsContact O-CE 3.25Å; W1232-K1257 WeakPolarHBondContact O-CE 3.41Å; W1232-K1257 PolarHBondContact O-NZ 2.95Å | ||
| 1233 | C | 27.7 | Very low | 40.2 | Very low | 106 Ų | 106 | 95.6 Ų | 95.6 | 72% | 0.716 | 47% | 0.473 | S | S | * | . | trans | -128.8 | 84 | -174.2 | -85.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1234 | Q | 24.9 | Very low | 38.2 | Very low | 132 Ų | 132 | 102.8 Ų | 102.8 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | trans | -98.3 | 108.8 | 165.9 | -158.5 | 169.8 | 27.4 | 0 | 0 | 107.4 | ||||
| 1235 | N | 27.5 | Very low | 35.9 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 68% | 0.684 | 54% | 0.537 | S | S | * | . | trans | -152.8 | 77.8 | 177 | -150 | -30 | 0 | 0 | 0 | 111.5 | H1237 | N1235-H1237 VanDerWaalsContact C-N 3.26Å; N1235-H1237 PolarHBondContact O-N 2.89Å; N1235-H1237 PolarHBondContact OD1-CD2 2.75Å | ||
| 1236 | L | 25.9 | Very low | 33.9 | Very low | 163 Ų | 163 | 113.5 Ų | 113.5 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | trans | -89.3 | 39.2 | -172.6 | -154.9 | 96.3 | 0 | 0 | 0 | 112.9 | F1238 | L1236-F1238 PolarHBondContact O-N 2.62Å; L1236-F1238 VanDerWaalsContact O-N 3.08Å | ||
| 1237 | H | 25.8 | Very low | 32 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 73% | 0.731 | 61% | 0.607 | S | S | * | * | trans | -83.2 | 90.6 | -168.1 | -100.3 | -71.1 | 0 | 0 | 0 | 115.2 | N1235 | N1235-H1237 VanDerWaalsContact C-N 3.26Å; N1235-H1237 PolarHBondContact O-N 2.89Å; N1235-H1237 PolarHBondContact OD1-CD2 2.75Å | ||
| 1238 | F | 25.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | trans | 34.7 | 88.3 | 139.5 | -74.7 | -90.3 | 0 | 0 | 0 | 118.9 | L1236 K1240 | L1236-F1238 PolarHBondContact O-N 2.62Å; L1236-F1238 VanDerWaalsContact O-N 3.08Å; F1238-K1240 PolarHBondContact O-N 3.36Å | ||
| 1239 | M | 22.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | trans | -66.3 | 92.9 | 151.6 | -104.8 | -69.1 | -172.2 | 0 | 0 | 110.2 | M997 T1241 | M997-M1239 HydrophobicContact CE-CE 3.65Å; M997-M1239 HydrophobicContact CE-CG 4.41Å; M1239-T1241 PolarHBondContact O-N 2.63Å; M1239-T1241 VanDerWaalsContact O-N 3.13Å | ||
| 1240 | K | 23.8 | Very low | 27.8 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -69.3 | 101.7 | 169.9 | -80.1 | -177.2 | 177.3 | 174.6 | 0 | 109.9 | F1238 | F1238-K1240 PolarHBondContact O-N 3.36Š| ||
| 1241 | T | 26.6 | Very low | 26.9 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 127.5 | 163.3 | 43.6 | 0 | 0 | 0 | 0 | 109.7 | M1239 T1243 | M1239-T1241 PolarHBondContact O-N 2.63Å; M1239-T1241 VanDerWaalsContact O-N 3.13Å; T1241-T1243 PolarHBondContact O-N 2.89Å | ||
| 1242 | N | 24.9 | Very low | 26.3 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 121.6 | -164.1 | -72.6 | -43.2 | 0 | 0 | 0 | 114.6 | ||||
| 1243 | T | 28.7 | Very low | 26.2 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -143.9 | 157.9 | 142.4 | 28 | 0 | 0 | 0 | 0 | 109.3 | T1241 | T1241-T1243 PolarHBondContact O-N 2.89Š| ||
| 1244 | K | 26.3 | Very low | 26.2 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 155.6 | -161.7 | -60.1 | 178 | 179.2 | -179.5 | 0 | 113.5 | ||||
| 1245 | S | 25.6 | Very low | 26.4 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 48.7 | 111.7 | 152 | 52.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1246 | D | 28.4 | Very low | 26.7 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | -168.4 | 150.3 | 58.7 | -85.6 | -42.6 | 0 | 0 | 0 | 114.7 | |||||
| 1247 | I | 28.5 | Very low | 27.2 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 38.8 | 101.2 | 149.7 | -48.7 | 172.9 | 0 | 0 | 0 | 117.5 | ||||
| 1248 | C | 23.8 | Very low | 28 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -115.6 | 134.3 | 160.4 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1249 | K | 25.8 | Very low | 28.9 | Very low | 202 Ų | 202 | 132.5 Ų | 132.5 | 88% | 0.878 | 70% | 0.702 | S | S | * | * | trans | -94.1 | 136 | 164.2 | -64.7 | -170.8 | 175.7 | -167.5 | 0 | 108.6 | ||||
| 1250 | T | 29.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -114.4 | 119.6 | -174.7 | 46.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1251 | T | 25.9 | Very low | 31.7 | Very low | 140 Ų | 140 | 121.1 Ų | 121.1 | 86% | 0.859 | 66% | 0.655 | S | S | * | * | trans | -79.5 | 150.5 | 164.9 | 44 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1252 | I | 28.5 | Very low | 33.1 | Very low | 158 Ų | 158 | 116 Ų | 116 | 81% | 0.81 | 62% | 0.622 | S | S | * | * | trans | -102.2 | 129.3 | -176.4 | -58.9 | 171 | 0 | 0 | 0 | 109.5 | ||||
| 1253 | T | 24.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 109 Ų | 109 | 78% | 0.779 | 58% | 0.584 | S | S | * | * | trans | -129 | 141.4 | 170.5 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1254 | K | 27.7 | Very low | 36.4 | Very low | 194 Ų | 194 | 102.9 Ų | 102.9 | 84% | 0.843 | 55% | 0.545 | S | S | * | . | trans | -107.2 | 147.6 | 179.5 | -68.5 | -179.5 | 177.6 | 177.9 | 0 | 110.6 | ||||
| 1255 | E | 29 | Very low | 38.6 | Very low | 133 Ų | 133 | 96.5 Ų | 96.5 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | trans | -119.7 | 150.4 | 174.7 | -63.4 | 177.8 | 179.4 | 0 | 0 | 109.9 | ||||
| 1256 | I | 33 | Very low | 40.3 | Very low | 131 Ų | 131 | 92.6 Ų | 92.6 | 67% | 0.672 | 49% | 0.488 | S | S | * | . | trans | -140.1 | 149.4 | -176.4 | -56 | 180 | 0 | 0 | 0 | 109.4 | Y804 | Y804-I1256 HydrophobicContact CD1-CG2 4.46Å; Y804-I1256 HydrophobicContact CE1-CG2 4.39Å | ||
| 1257 | K | 35.7 | Very low | 41.5 | Very low | 81 Ų | 81 | 88.6 Ų | 88.6 | 35% | 0.352 | 47% | 0.467 | S | S | . | . | trans | -142.6 | 154.7 | -176.4 | -51.9 | -175 | -171.9 | -167.9 | 0 | 110.3 | Y804 W1232 | Y804-K1257 CarbonylContact C-O 3.41Å; Y804-K1257 WeakPolarHBondContact CA-O 3.4Å; W1232-K1257 VanDerWaalsContact O-CE 3.25Å; W1232-K1257 WeakPolarHBondContact O-CE 3.41Å; W1232-K1257 PolarHBondContact O-NZ 2.95Å | ||
| 1258 | A | 43.8 | Very low | 42.3 | Very low | 25 Ų | 25 | 85.2 Ų | 85.2 | 21% | 0.207 | 46% | 0.456 | C | S | . | . | trans | -158.1 | 159.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A803 Y1210 G1230 | A803-A1258 WeakPolarHBondContact O-CA 3.27Å; A803-A1258 WeakPolarHBondContact O-CB 3.07Å; Y1210-A1258 WeakPolarHBondContact CE2-O 3.35Å; G1230-A1258 WeakPolarHBondContact CA-O 3.48Å | ||
| 1259 | S | 43.8 | Very low | 42.9 | Very low | 17 Ų | 17 | 83.6 Ų | 83.6 | 12% | 0.119 | 44% | 0.443 | C | S | . | . | trans | -151 | 165 | 174.2 | 39.7 | 0 | 0 | 0 | 0 | 113.6 | G805 P806 D1228 | G805-S1259 PolarHBondContact O-OG 3.24Å; P806-S1259 WeakPolarHBondContact CA-OG 3.35Å; D1228-S1259 WeakPolarHBondContact O-CB 3.43Å | ||
| 1260 | S | 52.2 | Low | 43 | Very low | 42 Ų | 42 | 83 Ų | 83 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | trans | -136.6 | 169.3 | -174.5 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | D1228 F1262 | D1228-S1260 PolarHBondContact N-O 2.85Å; S1260-F1262 WeakPolarHBondContact OG-CE2 3.47Å; S1260-F1262 VanDerWaalsContact OG-CZ 3.31Å; S1260-F1262 WeakPolarHBondContact OG-CZ 3.42Å | ||
| 1261 | I | 52.4 | Low | 43 | Very low | 43 Ų | 43 | 86.9 Ų | 86.9 | 22% | 0.221 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.2 | 178.1 | -61.1 | 171.7 | 0 | 0 | 0 | 107.4 | I807 I1225 I1227 | I807-I1261 HydrophobicContact CD1-CD1 4.24Å; I807-I1261 HydrophobicContact CD1-CG1 4.22Å; I1225-I1261 HydrophobicContact CG2-CG2 3.99Å; I1227-I1261 HydrophobicContact CG1-CG1 4.33Å; I1227-I1261 HydrophobicContact CG1-CG2 4.27Å; I1227-I1261 HydrophobicContact CG2-CG1 4.5Å |
| 1262 | F | 56.6 | Low | 43.1 | Very low | 22 Ų | 22 | 85.6 Ų | 85.6 | 10% | 0.096 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 143.8 | -177.8 | -59 | -96.6 | 0 | 0 | 0 | 111.3 | L316 H1208 I1225 S1226 S1260 | L316-F1262 HydrophobicContact CD1-CB 4.15Å; L316-F1262 HydrophobicContact CD1-CD1 4.17Å; H1208-F1262 AromaticContact CE1-CD2 3.32Å; H1208-F1262 WeakPolarHBondContact CE1-CD2 3.26Å; H1208-F1262 AromaticContact CE1-CG 3.75Å; H1208-F1262 AromaticContact ND1-CD2 3.29Å; H1208-F1262 VanDerWaalsContact ND1-CD2 3.29Å; H1208-F1262 WeakPolarHBondContact ND1-CD2 3.5Å; H1208-F1262 AromaticContact ND1-CE2 3.48Å; H1208-F1262 WeakPolarHBondContact ND1-CE2 3.37Å; I1225-F1262 WeakPolarHBondContact CA-O 3.48Å; I1225-F1262 WeakPolarHBondContact CG2-O 3.39Å; S1226-F1262 PolarHBondContact N-O 3.35Å; S1226-F1262 VanDerWaalsContact N-O 3.08Å; S1226-F1262 PolarHBondContact O-N 3.44Å; S1260-F1262 WeakPolarHBondContact OG-CE2 3.47Å; S1260-F1262 VanDerWaalsContact OG-CZ 3.31Å; S1260-F1262 WeakPolarHBondContact OG-CZ 3.42Å |
| 1263 | M | 59.6 | Low | 43.1 | Very low | 10 Ų | 10 | 86.9 Ų | 86.9 | 5% | 0.049 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 121.9 | -176.9 | -64.7 | -173.4 | 64.9 | 0 | 0 | 111 | V317 I838 L867 I1225 | V317-M1263 PolarHBondContact N-O 3.01Å; V317-M1263 VanDerWaalsContact N-O 3.12Å; I838-M1263 HydrophobicContact CD1-CE 3.92Å; I838-M1263 HydrophobicContact CG1-CE 4.43Å; I838-M1263 HydrophobicContact CG2-CE 3.8Å; L867-M1263 HydrophobicContact CD1-CE 3.71Å; L867-M1263 HydrophobicContact CD2-CE 3.92Å; L867-M1263 HydrophobicContact CD2-SD 3.99Å; L867-M1263 HydrophobicContact CG-CE 4.42Å; I1225-M1263 HydrophobicContact CD1-CE 4.06Å; I1225-M1263 HydrophobicContact CG1-CE 4.3Å; I1225-M1263 HydrophobicContact CG1-CG 4.27Å; I1225-M1263 HydrophobicContact CG2-CG 4.25Å |
| 1264 | W | 64.1 | Low | 43.3 | Very low | 17 Ų | 17 | 89.9 Ų | 89.9 | 6% | 0.064 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.9 | -173.4 | -47.3 | 79.4 | 0 | 0 | 0 | 111.4 | L314 D315 L316 I1169 H1208 Y1223 C1224 S1226 | L314-W1264 HydrophobicContact CB-CE3 4.38Å; L314-W1264 HydrophobicContact CD2-CB 3.9Å; D315-W1264 CarbonylContact O-C 3.47Å; D315-W1264 WeakPolarHBondContact O-CA 3.44Å; L316-W1264 HydrophobicContact CB-CE3 4.2Å; L316-W1264 HydrophobicContact CB-CZ3 4.25Å; L316-W1264 HydrophobicContact CD1-CD2 4.21Å; L316-W1264 HydrophobicContact CD1-CE3 4.38Å; L316-W1264 HydrophobicContact CD1-CZ2 4.37Å; I1169-W1264 HydrophobicContact CD1-CZ2 4.41Å; H1208-W1264 AromaticContact CD2-CZ2 4Å; H1208-W1264 AromaticContact NE2-CE2 3.93Å; H1208-W1264 AromaticContact NE2-CZ2 3.55Å; H1208-W1264 AromaticContact NE2-NE1 3.71Å; Y1223-W1264 CarbonylContact C-O 3.45Å; Y1223-W1264 WeakPolarHBondContact CA-O 3.4Å; Y1223-W1264 WeakPolarHBondContact CB-O 3.4Å; Y1223-W1264 WeakPolarHBondContact CD1-O 3.08Å; C1224-W1264 HydrophobicContact CB-CB 4.33Å; C1224-W1264 PolarHBondContact N-O 3.2Å; C1224-W1264 PolarHBondContact O-N 3.29Å; S1226-W1264 PolarHBondContact OG-NE1 3.29Å |
| 1265 | K | 71.3 | Confident | 43.4 | Very low | 59 Ų | 59 | 88.5 Ų | 88.5 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122 | 178.2 | 168.2 | 178.1 | 145.1 | -70.7 | 0 | 109.9 | L314 D315 V317 R1222 Y1223 D1267 | L314-K1265 CarbonylContact C-O 3.6Å; L314-K1265 VanDerWaalsContact CA-O 3.28Å; L314-K1265 WeakPolarHBondContact CA-O 3.47Å; D315-K1265 HydrophobicContact CB-CB 4.32Å; D315-K1265 PolarHBondContact N-O 3.32Å; D315-K1265 PolarHBondContact O-N 3.2Å; D315-K1265 IonicContact OD2-NZ 3.08Å; D315-K1265 PolarHBondContact OD2-NZ 3.33Å; V317-K1265 HydrophobicContact CG2-CB 4.28Å; R1222-K1265 CarbonylContact O-C 3.4Å; R1222-K1265 WeakPolarHBondContact O-CA 3.13Å; Y1223-K1265 HydrophobicContact CD1-CB 3.81Å; Y1223-K1265 HydrophobicContact CD1-CG 4.42Å; Y1223-K1265 HydrophobicContact CE1-CB 3.63Å; Y1223-K1265 HydrophobicContact CE1-CD 4.24Å; Y1223-K1265 HydrophobicContact CE1-CG 3.94Å; K1265-D1267 IonicContact NZ-OD1 2.79Å; K1265-D1267 PolarHBondContact NZ-OD1 2.78Å |
| 1266 | F | 62.2 | Low | 43.2 | Very low | 12 Ų | 12 | 91.7 Ų | 91.7 | 5% | 0.053 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.4 | 166.7 | -66.6 | -78 | 0 | 0 | 0 | 109.7 | I312 S313 L314 T1153 I1217 G1221 R1222 C1224 S1268 | I312-F1266 HydrophobicContact CG2-CB 4.4Å; I312-F1266 HydrophobicContact CG2-CD1 3.58Å; I312-F1266 HydrophobicContact CG2-CE1 4.32Å; I312-F1266 HydrophobicContact CG2-CG 4.44Å; S313-F1266 WeakPolarHBondContact O-CA 3.32Å; L314-F1266 HydrophobicContact CD1-CE1 4.4Å; L314-F1266 HydrophobicContact CD2-CD1 3.36Å; L314-F1266 HydrophobicContact CD2-CD2 4.23Å; L314-F1266 HydrophobicContact CD2-CE1 3.54Å; L314-F1266 HydrophobicContact CD2-CE2 4.37Å; L314-F1266 HydrophobicContact CD2-CG 3.75Å; L314-F1266 HydrophobicContact CD2-CZ 4.06Å; L314-F1266 HydrophobicContact CG-CD1 4.01Å; L314-F1266 HydrophobicContact CG-CE1 4.09Å; T1153-F1266 HydrophobicContact CG2-CZ 4.34Å; I1217-F1266 HydrophobicContact CG2-CE2 3.99Å; G1221-F1266 VanDerWaalsContact O-CB 3.28Å; G1221-F1266 WeakPolarHBondContact O-CB 3.43Å; G1221-F1266 WeakPolarHBondContact O-CD2 3.49Å; G1221-F1266 WeakPolarHBondContact O-CG 3.13Å; R1222-F1266 PolarHBondContact O-N 2.85Å; C1224-F1266 HydrophobicContact CB-CD2 4.39Å; C1224-F1266 HydrophobicContact CB-CE2 3.63Å; C1224-F1266 HydrophobicContact CB-CZ 3.94Å; F1266-S1268 PolarHBondContact O-N 2.88Å |
| 1267 | D | 53.2 | Low | 43.1 | Very low | 50 Ų | 50 | 88.8 Ų | 88.8 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | trans | -78 | 123.6 | 170.2 | -65.7 | -54.4 | 0 | 0 | 0 | 111.5 | S313 K1265 | S313-D1267 WeakPolarHBondContact CB-OD2 3.26Å; S313-D1267 WeakPolarHBondContact OG-CB 3.36Å; S313-D1267 PolarHBondContact OG-OD2 3.39Å; K1265-D1267 IonicContact NZ-OD1 2.79Å; K1265-D1267 PolarHBondContact NZ-OD1 2.78Å | ||
| 1268 | S | 45.5 | Very low | 42.5 | Very low | 81 Ų | 81 | 93.7 Ų | 93.7 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | trans | -94.2 | 106.7 | 169.8 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | F1266 | F1266-S1268 PolarHBondContact O-N 2.88Š| ||
| 1269 | T | 35.7 | Very low | 41.7 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | trans | -58.5 | 134.9 | 166.1 | 38.3 | 0 | 0 | 0 | 0 | 110.1 | R1271 | T1269-R1271 PolarHBondContact O-N 2.6Š| ||
| 1270 | Q | 29.2 | Very low | 41.1 | Very low | 191 Ų | 191 | 106.4 Ų | 106.4 | 89% | 0.893 | 55% | 0.55 | S | S | * | . | trans | -68.4 | 127.9 | -173.6 | -72.9 | -177 | -19.4 | 0 | 0 | 111.3 | S1272 | Q1270-S1272 PolarHBondContact O-N 3.45Š| ||
| 1271 | R | 29.5 | Very low | 39.8 | Very low | 209 Ų | 209 | 108.7 Ų | 108.7 | 79% | 0.789 | 57% | 0.566 | S | S | * | * | trans | -76.5 | 109.1 | 169.3 | -70 | -173.5 | 178 | -168.6 | -1.2 | 109.5 | T1269 | T1269-R1271 PolarHBondContact O-N 2.6Š| ||
| 1272 | S | 27.9 | Very low | 38.6 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 78% | 0.783 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.2 | 173.1 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | Q1270 E1274 | Q1270-S1272 PolarHBondContact O-N 3.45Å; S1272-E1274 PolarHBondContact O-N 2.75Å |
| 1273 | H | 27.9 | Very low | 37.2 | Very low | 186 Ų | 186 | 118.2 Ų | 118.2 | 86% | 0.861 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 129.3 | -173.1 | -67.3 | -84.5 | 0 | 0 | 0 | 114.6 | ||
| 1274 | E | 29.1 | Very low | 35.9 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.9 | 162.5 | -68.5 | 178.5 | 149 | 0 | 0 | 109.7 | S1272 K1276 | S1272-E1274 PolarHBondContact O-N 2.75Å; E1274-K1276 PolarHBondContact O-N 2.87Å |
| 1275 | I | 30.2 | Very low | 34.1 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 127.6 | -175.3 | -64.4 | 169.4 | 0 | 0 | 0 | 109.4 | G1277 | I1275-G1277 PolarHBondContact O-N 3.22Š|
| 1276 | K | 24.6 | Very low | 32 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | trans | -68.1 | 92.1 | 172.2 | -69.1 | 178.9 | 178.9 | 175.2 | 0 | 110.2 | E1274 | E1274-K1276 PolarHBondContact O-N 2.87Š| ||
| 1277 | G | 30.5 | Very low | 30.4 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I1275 | I1275-G1277 PolarHBondContact O-N 3.22Š|
| 1278 | E | 24.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 151.9 | -174.9 | -67.7 | -171 | 118.5 | 0 | 0 | 113.6 | ||
| 1279 | N | 26.3 | Very low | 28 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 136.8 | -177.4 | -48.5 | -69.3 | 0 | 0 | 0 | 112.7 | ||
| 1280 | N | 31 | Very low | 27.5 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -137.2 | 97.4 | 154.8 | -89.2 | -59.8 | 0 | 0 | 0 | 110.9 | ||||
| 1281 | S | 25.2 | Very low | 27.3 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | 32.8 | 122.9 | 138.9 | 61.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1282 | N | 26.6 | Very low | 27 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 69% | 0.69 | 81% | 0.814 | S | S | * | * | 89.3 | 118.5 | 124.8 | -75 | 54.9 | 0 | 0 | 0 | 122 | |||||
| 1283 | D | 28 | Very low | 26.7 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | 86.1 | 156 | 127.4 | -55.3 | -16 | 0 | 0 | 0 | 122.5 | |||||
| 1284 | D | 32.6 | Very low | 26.4 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 59.4 | 93.6 | 170.9 | -66.1 | -11.2 | 0 | 0 | 0 | 120.4 | ||||
| 1285 | A | 25.7 | Very low | 26.1 | Very low | 84 Ų | 84 | 157.4 Ų | 157.4 | 69% | 0.694 | 82% | 0.816 | S | S | * | * | trans | -72.8 | 166.5 | 157 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1286 | N | 27.2 | Very low | 25.6 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | 72.7 | 58.8 | 162.5 | -56.9 | -43.3 | 0 | 0 | 0 | 118.8 | ||||
| 1287 | I | 29.5 | Very low | 25.5 | Very low | 161 Ų | 161 | 155.6 Ų | 155.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -120 | 106.3 | 151.3 | -60.9 | -174 | 0 | 0 | 0 | 111.9 | ||||
| 1288 | M | 24 | Very low | 25.1 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | trans | 63.5 | 120.4 | 155.9 | -67.2 | -166.6 | 174.6 | 0 | 0 | 121.5 | ||||
| 1289 | K | 23 | Very low | 25.2 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -61.8 | 168.5 | 147.3 | -61.8 | 175.3 | 176.2 | 178.1 | 0 | 110.9 | ||||
| 1290 | D | 26.1 | Very low | 24.9 | Very low | 145 Ų | 145 | 157.9 Ų | 157.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | 67.8 | 72.4 | 159.9 | -52.4 | -22.5 | 0 | 0 | 0 | 117.8 | ||||
| 1291 | K | 24.8 | Very low | 24.6 | Very low | 207 Ų | 207 | 156.8 Ų | 156.8 | 90% | 0.9 | 82% | 0.817 | S | S | * | * | trans | -178.2 | 63.4 | 133 | -98.8 | 158.4 | -172.9 | 174 | 0 | 115.2 | ||||
| 1292 | L | 22.8 | Very low | 24.5 | Very low | 182 Ų | 182 | 163.1 Ų | 163.1 | 95% | 0.953 | 83% | 0.827 | S | S | * | * | trans | -135.7 | 63 | 160.1 | -79 | -179.9 | 0 | 0 | 0 | 111.6 | ||||
| 1293 | Q | 21.5 | Very low | 24.4 | Very low | 177 Ų | 177 | 162.6 Ų | 162.6 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | -94.1 | 162.9 | 151.4 | -77.6 | -174.4 | -23.3 | 0 | 0 | 109.1 | ||||
| 1294 | T | 22.7 | Very low | 24.2 | Very low | 132 Ų | 132 | 165.4 Ų | 165.4 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | 65.2 | 86.5 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1295 | R | 21.6 | Very low | 23.8 | Very low | 248 Ų | 248 | 164.7 Ų | 164.7 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | -165.5 | 92.3 | 117.5 | -105.6 | 170.7 | -172.9 | -163.7 | 1.1 | 111.7 | N1297 | R1295-N1297 PolarHBondContact O-N 3.36Š| |||
| 1296 | E | 20.7 | Very low | 23.6 | Very low | 164 Ų | 164 | 166 Ų | 166 | 77% | 0.766 | 84% | 0.836 | S | S | * | * | trans | -65.2 | 121.8 | 155 | -61 | 170.3 | 133.3 | 0 | 0 | 107.7 | ||||
| 1297 | N | 22.3 | Very low | 23.4 | Very low | 162 Ų | 162 | 165 Ų | 165 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | 170.8 | 83.5 | 156.8 | -92.8 | -25 | 0 | 0 | 0 | 111.2 | R1295 | R1295-N1297 PolarHBondContact O-N 3.36Š| ||
| 1298 | S | 22.6 | Very low | 23.2 | Very low | 116 Ų | 116 | 166 Ų | 166 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -150.2 | 123.6 | 149.5 | 47.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1299 | T | 24.4 | Very low | 23.1 | Very low | 130 Ų | 130 | 163.7 Ų | 163.7 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 128.4 | -171.3 | 47.4 | 0 | 0 | 0 | 0 | 111 | T1301 | T1299-T1301 PolarHBondContact O-N 3.43Š|
| 1300 | F | 21 | Very low | 23 | Very low | 212 Ų | 212 | 161.4 Ų | 161.4 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 121.9 | 167.6 | -82.6 | -93.7 | 0 | 0 | 0 | 110.9 | ||
| 1301 | T | 24.4 | Very low | 22.9 | Very low | 132 Ų | 132 | 162.9 Ų | 162.9 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 139.4 | 173.8 | 36.4 | 0 | 0 | 0 | 0 | 110.6 | T1299 | T1299-T1301 PolarHBondContact O-N 3.43Š|
| 1302 | R | 23.8 | Very low | 22.8 | Very low | 223 Ų | 223 | 160.1 Ų | 160.1 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.9 | -179.4 | -68.5 | 176.7 | 174.7 | 164.8 | -2.5 | 110.6 | ||
| 1303 | P | 23.6 | Very low | 22.8 | Very low | 118 Ų | 118 | 156.9 Ų | 156.9 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 137.7 | 162.8 | 29.4 | -33.1 | 0 | 0 | 0 | 109.1 | ||
| 1304 | F | 23.2 | Very low | 22.8 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.3 | 176.5 | -82.5 | -105.2 | 0 | 0 | 0 | 110.2 | ||
| 1305 | L | 24.1 | Very low | 22.8 | Very low | 148 Ų | 148 | 155 Ų | 155 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67 | 151.5 | 163.9 | -75.8 | 91.5 | 0 | 0 | 0 | 109.2 | N1307 | L1305-N1307 PolarHBondContact O-N 3.42Š|
| 1306 | S | 22.2 | Very low | 23.6 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -60.3 | 106.2 | 162.3 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | E1308 | S1306-E1308 PolarHBondContact O-N 3.17Š| ||
| 1307 | N | 24.1 | Very low | 23.6 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 107.2 | 178.8 | -76.6 | -14.1 | 0 | 0 | 0 | 110.2 | L1305 | L1305-N1307 PolarHBondContact O-N 3.42Š| ||
| 1308 | E | 24 | Very low | 23.8 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59 | 150 | 151.6 | -62.1 | -177.4 | 136.9 | 0 | 0 | 108.8 | S1306 | S1306-E1308 PolarHBondContact O-N 3.17Š|
| 1309 | C | 22.2 | Very low | 23.8 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 141.6 | -167.3 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1310 | E | 21.2 | Very low | 23.7 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 64% | 0.64 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 140.3 | 178.9 | -54.5 | -175.2 | 127.6 | 0 | 0 | 112.1 | K1312 | E1310-K1312 VanDerWaalsContact CD-CE 3.42Å; E1310-K1312 WeakPolarHBondContact OE1-CE 3.49Å; E1310-K1312 IonicContact OE1-NZ 2.84Å; E1310-K1312 PolarHBondContact OE1-NZ 3.27Å; E1310-K1312 WeakPolarHBondContact OE2-CE 3.45Å; E1310-K1312 IonicContact OE2-NZ 2.65Å; E1310-K1312 PolarHBondContact OE2-NZ 3.36Å |
| 1311 | D | 24.3 | Very low | 23.8 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -136.4 | 127.3 | 150.8 | -126.2 | -30 | 0 | 0 | 0 | 108.8 | ||||
| 1312 | K | 22.1 | Very low | 23.6 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 65% | 0.648 | 81% | 0.808 | S | S | * | * | trans | -118.5 | 113.5 | -160.4 | -79.3 | 169.5 | 171.4 | 150.5 | 0 | 113 | E1310 | E1310-K1312 VanDerWaalsContact CD-CE 3.42Å; E1310-K1312 WeakPolarHBondContact OE1-CE 3.49Å; E1310-K1312 IonicContact OE1-NZ 2.84Å; E1310-K1312 PolarHBondContact OE1-NZ 3.27Å; E1310-K1312 WeakPolarHBondContact OE2-CE 3.45Å; E1310-K1312 IonicContact OE2-NZ 2.65Å; E1310-K1312 PolarHBondContact OE2-NZ 3.36Å | ||
| 1313 | S | 22.6 | Very low | 23.5 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | 171.5 | 131.8 | 127.1 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1314 | C | 21 | Very low | 23.3 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -155.4 | 118.5 | 169.4 | -91.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1315 | T | 23.4 | Very low | 23.1 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -150 | 98.2 | 170.6 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1316 | P | 37.8 | Very low | 23.1 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -94.8 | 150.3 | 178.8 | 35.7 | -32.9 | 0 | 0 | 0 | 112.9 | ||||
| 1317 | N | 22.3 | Very low | 23.2 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -158.1 | 138.6 | 167.2 | -107 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 1318 | N | 26.3 | Very low | 23.1 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | 60.6 | 116.8 | 161.5 | -65.1 | -22.9 | 0 | 0 | 0 | 122.2 | ||||
| 1319 | Q | 22.2 | Very low | 23.2 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 53.4 | 113.5 | 134.9 | -61.2 | -175.4 | -9.1 | 0 | 0 | 121.2 | ||||
| 1320 | C | 21.2 | Very low | 23.2 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | trans | -152.2 | 163.3 | 142.9 | -137.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1321 | N | 24.7 | Very low | 23.5 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -106 | 150.7 | -175.6 | -73.9 | -31.1 | 0 | 0 | 0 | 113 | I1323 | N1321-I1323 PolarHBondContact O-N 2.69Š| ||
| 1322 | T | 19.2 | Very low | 23.4 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 22.6 | 91.6 | 151.9 | 58.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1323 | I | 22.4 | Very low | 23.4 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -147.8 | 155.7 | 132.5 | -102.4 | 160.7 | 0 | 0 | 0 | 106.6 | N1321 T1325 | N1321-I1323 PolarHBondContact O-N 2.69Å; I1323-T1325 PolarHBondContact O-N 2.79Å | ||
| 1324 | E | 18.2 | Very low | 23.2 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -73.1 | 111.4 | -161.7 | -62.2 | 176.1 | 132.6 | 0 | 0 | 114.5 | ||
| 1325 | T | 20.4 | Very low | 23.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -158.3 | 38.8 | 146 | -1.6 | 0 | 0 | 0 | 0 | 112 | I1323 I1327 | I1323-T1325 PolarHBondContact O-N 2.79Å; T1325-I1327 PolarHBondContact O-N 2.86Å; T1325-I1327 VanDerWaalsContact O-N 3.1Å | ||
| 1326 | N | 23 | Very low | 23.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 99.8 | -177.9 | -75.6 | -4.3 | 0 | 0 | 0 | 112.4 | ||||
| 1327 | I | 24.2 | Very low | 22.3 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -120.6 | 61.9 | 156.3 | -49.1 | -177.8 | 0 | 0 | 0 | 108.4 | T1325 N1329 | T1325-I1327 PolarHBondContact O-N 2.86Å; T1325-I1327 VanDerWaalsContact O-N 3.1Å; I1327-N1329 PolarHBondContact O-N 2.9Å | ||
| 1328 | N | 22.6 | Very low | 22.4 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 105.1 | 161.5 | -88.1 | 15.6 | 0 | 0 | 0 | 107.8 | D1330 | N1328-D1330 PolarHBondContact O-N 2.9Š| ||
| 1329 | N | 25.5 | Very low | 22.1 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -76.9 | 67.4 | 169 | -74.7 | -20.9 | 0 | 0 | 0 | 110.2 | I1327 I1331 | I1327-N1329 PolarHBondContact O-N 2.9Å; N1329-I1331 PolarHBondContact O-N 2.84Å | ||
| 1330 | D | 22.4 | Very low | 22.2 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 112.1 | 160.4 | -88.5 | -52.9 | 0 | 0 | 0 | 108.3 | N1328 N1332 | N1328-D1330 PolarHBondContact O-N 2.9Å; D1330-N1332 PolarHBondContact O-N 2.86Å | ||
| 1331 | I | 28.5 | Very low | 22.3 | Very low | 155 Ų | 155 | 143 Ų | 143 | 80% | 0.795 | 76% | 0.763 | S | S | * | * | trans | -73.5 | 96.7 | -177.8 | -59.5 | 172.9 | 0 | 0 | 0 | 109 | N1329 | N1329-I1331 PolarHBondContact O-N 2.84Š| ||
| 1332 | N | 21.3 | Very low | 22.2 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -171.2 | 110.9 | 154.2 | -97.4 | -49.1 | 0 | 0 | 0 | 111.8 | D1330 | D1330-N1332 PolarHBondContact O-N 2.86Š| ||
| 1333 | I | 21.7 | Very low | 22.5 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -162.5 | 104.9 | 137.1 | -98.3 | 148.8 | 0 | 0 | 0 | 109 | ||||
| 1334 | T | 19.2 | Very low | 22.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 3.1 | 131.9 | 159.4 | 55.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1335 | F | 20 | Very low | 22.8 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 63% | 0.627 | 74% | 0.735 | S | S | * | * | trans | -25.2 | 142.4 | 146.1 | -68.6 | -99.3 | 0 | 0 | 0 | 115.6 | E1065 | E1065-F1335 HydrophobicContact CB-CE1 4.44Å; E1065-F1335 HydrophobicContact CG-CE1 3.86Å; E1065-F1335 HydrophobicContact CG-CZ 3.75Å; E1065-F1335 WeakPolarHBondContact OE1-CE2 3.4Å; E1065-F1335 WeakPolarHBondContact OE1-CZ 3.47Å; E1065-F1335 WeakPolarHBondContact OE2-CE1 3.05Å; E1065-F1335 WeakPolarHBondContact OE2-CZ 3.11Å | ||
| 1336 | S | 22.9 | Very low | 22.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | trans | -145.1 | 140.8 | 132 | 62.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1337 | K | 19.6 | Very low | 22.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | trans | -84.9 | 133.6 | -172.6 | -62.5 | 171.9 | -179.8 | 173.4 | 0 | 111.3 | ||||
| 1338 | V | 25.2 | Very low | 22.8 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -134.9 | 129.6 | 142.1 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1339 | V | 20 | Very low | 22.8 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 42% | 0.418 | 72% | 0.722 | S | S | . | * | trans | -84.2 | 131 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1340 | N | 24.6 | Very low | 23.1 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -155.1 | 82.5 | 151.7 | -102.7 | -24 | 0 | 0 | 0 | 112.1 | ||||
| 1341 | K | 22.6 | Very low | 23.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | trans | 24.7 | 120 | 149.3 | -72.2 | -170.6 | 150.1 | -83.7 | 0 | 121 | ||||
| 1342 | D | 23.4 | Very low | 23.1 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | 66.3 | 91.9 | 119.3 | -44.9 | -21.1 | 0 | 0 | 0 | 118 | |||||
| 1343 | G | 24.5 | Very low | 23.1 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | trans | -167.7 | 38.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1344 | I | 23.6 | Very low | 23.2 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | trans | -70.9 | 141.8 | -171.6 | -72.7 | 178.8 | 0 | 0 | 0 | 112.1 | H1005 | H1005-I1344 PolarHBondContact CE1-O 3.14Å; H1005-I1344 VanDerWaalsContact CE1-O 3.26Å; H1005-I1344 PolarHBondContact NE2-N 3.03Å | ||
| 1345 | N | 23.2 | Very low | 23.3 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -16.9 | 137.1 | 161.2 | -57 | -63.9 | 0 | 0 | 0 | 116.4 | ||||
| 1346 | K | 21.8 | Very low | 23.5 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | -157.7 | 149.9 | 105.4 | -105.6 | 147.8 | -171.2 | -177.8 | 0 | 113.5 | K1142 | K1142-K1346 WeakPolarHBondContact O-CE 3.38Å; K1142-K1346 PolarHBondContact O-NZ 3.1Å | |||
| 1347 | Q | 21.9 | Very low | 23.6 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | trans | -77.7 | 139.6 | 179.2 | -72.9 | 169.1 | -71 | 0 | 0 | 110.4 | ||||
| 1348 | V | 24.8 | Very low | 23.9 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 66% | 0.655 | 69% | 0.69 | S | S | * | * | trans | -23.8 | 131.7 | 141.8 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | I1350 | V1348-I1350 HydrophobicContact CG1-CG1 3.99Š| ||
| 1349 | N | 22.9 | Very low | 24 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | trans | -129.3 | 130 | 142.3 | -129.1 | 9.4 | 0 | 0 | 0 | 111.2 | ||||
| 1350 | I | 30.1 | Very low | 24.2 | Very low | 125 Ų | 125 | 134 Ų | 134 | 64% | 0.641 | 71% | 0.713 | S | S | * | * | trans | -70.3 | 144.4 | -174 | -59.8 | 152.8 | 0 | 0 | 0 | 109.6 | V1348 | V1348-I1350 HydrophobicContact CG1-CG1 3.99Š| ||
| 1351 | Q | 25 | Very low | 24.3 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | -169.5 | 142.3 | 118.7 | -101.8 | 172.8 | -27.4 | 0 | 0 | 115.9 | |||||
| 1352 | C | 26.1 | Very low | 24.4 | Very low | 96 Ų | 96 | 136 Ų | 136 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | 12 | 151.9 | 156.2 | -54 | 0 | 0 | 0 | 0 | 124 | ||||
| 1353 | N | 23 | Very low | 24.5 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | 179.6 | 144.3 | 101.5 | -98.6 | 42.3 | 0 | 0 | 0 | 114.1 | |||||
| 1354 | D | 22.8 | Very low | 24.6 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 49% | 0.487 | 71% | 0.711 | S | S | . | * | trans | 54.2 | 152.7 | 141 | -44.3 | -21.7 | 0 | 0 | 0 | 123.2 | N1405 | D1354-N1405 PolarHBondContact OD1-ND2 3.31Å; D1354-N1405 PolarHBondContact OD2-ND2 3.07Å | ||
| 1355 | C | 20.5 | Very low | 24.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | cis | -157.9 | 153.8 | -27.1 | -105.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1356 | P | 24.8 | Very low | 24.8 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -105.1 | 165.7 | 178.8 | 39 | -32.7 | 0 | 0 | 0 | 114.6 | ||||
| 1357 | L | 24.6 | Very low | 24.9 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -90.1 | 131.1 | 178.9 | -74.6 | 159.2 | 0 | 0 | 0 | 112.8 | H1359 | L1357-H1359 PolarHBondContact O-N 2.7Š| ||
| 1358 | S | 27.2 | Very low | 25.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 22.8 | 85.1 | 150.2 | 59.4 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1359 | H | 25.8 | Very low | 25.2 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -169.3 | 151.1 | 130.7 | -92 | -73.7 | 0 | 0 | 0 | 107.8 | L1357 H1361 | L1357-H1359 PolarHBondContact O-N 2.7Å; H1359-H1361 VanDerWaalsContact C-N 3.31Å; H1359-H1361 PolarHBondContact O-N 3.45Å | ||
| 1360 | R | 26 | Very low | 25.5 | Very low | 241 Ų | 241 | 139.3 Ų | 139.3 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -71.9 | 23.3 | -155.2 | -72.7 | -176.8 | 167.2 | 177.6 | -4.8 | 118.7 | ||
| 1361 | H | 26.1 | Very low | 25.3 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 55% | 0.551 | 73% | 0.734 | S | S | * | * | trans | -108.5 | 126.3 | -172.4 | -64.9 | 170.5 | 0 | 0 | 0 | 114.9 | H1359 Y1576 | H1359-H1361 VanDerWaalsContact C-N 3.31Å; H1359-H1361 PolarHBondContact O-N 3.45Å; H1361-Y1576 AromaticContact CE1-CD1 3.94Å | ||
| 1362 | W | 24.6 | Very low | 25.4 | Very low | 229 Ų | 229 | 138.3 Ų | 138.3 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -119.4 | 153.2 | 172 | -74.1 | 78.9 | 0 | 0 | 0 | 111.6 | ||||
| 1363 | T | 25.1 | Very low | 25.3 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | -143.6 | 128.9 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1364 | V | 26.1 | Very low | 25.6 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -106.5 | 145.1 | -176.4 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1365 | Y | 24.3 | Very low | 26 | Very low | 197 Ų | 197 | 151 Ų | 151 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -114.2 | 120.5 | -175.7 | -78.9 | -92.9 | 0 | 0 | 0 | 112.6 | ||||
| 1366 | A | 26.8 | Very low | 26.3 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -85.7 | 161.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1367 | N | 25.6 | Very low | 26.5 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -145.6 | 110.3 | -169.8 | -151 | 24.6 | 0 | 0 | 0 | 110 | ||||
| 1368 | S | 27 | Very low | 26.9 | Very low | 102 Ų | 102 | 153.4 Ų | 153.4 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -103.3 | 127 | -161.5 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1369 | K | 25.2 | Very low | 27.3 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -154.3 | 113.9 | 162.1 | -92.6 | -160.2 | 175.9 | -174.1 | 0 | 114.4 | ||||
| 1370 | L | 28 | Very low | 28.1 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 62% | 0.618 | 73% | 0.732 | S | S | * | * | trans | 82.8 | 141.4 | 135.5 | -64 | 170.2 | 0 | 0 | 0 | 122.8 | ||||
| 1371 | Y | 27 | Very low | 28.8 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 82% | 0.82 | 70% | 0.704 | S | S | * | * | trans | 75.8 | 153.1 | 165 | -51.9 | -56.1 | 0 | 0 | 0 | 118 | ||||
| 1372 | A | 27 | Very low | 29.6 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 63% | 0.628 | 71% | 0.713 | S | S | * | * | -151.8 | 167.4 | -128.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1373 | T | 24.6 | Very low | 30.5 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | trans | 58.7 | 101.5 | 163.4 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | E1484 | T1373-E1484 WeakPolarHBondContact CA-OE1 3.38Å; T1373-E1484 WeakPolarHBondContact CG2-OE1 3.38Å; T1373-E1484 PolarHBondContact N-OE1 3.45Å | ||
| 1374 | R | 28.8 | Very low | 31.5 | Very low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 68% | 0.681 | S | S | * | * | -158.7 | 139.3 | 127.4 | -110.1 | 174.9 | -173.3 | -166.5 | 2 | 110.3 | |||||
| 1375 | K | 30.6 | Very low | 32.7 | Very low | 203 Ų | 203 | 134.5 Ų | 134.5 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | -78.9 | 142.6 | -167.6 | -63.7 | -179 | 178 | -178.9 | 0 | 112.7 | ||||
| 1376 | F | 26.4 | Very low | 34 | Very low | 170 Ų | 170 | 126 Ų | 126 | 75% | 0.746 | 64% | 0.637 | S | S | * | * | trans | -130.9 | 169.8 | -176.4 | -142.9 | -114.2 | 0 | 0 | 0 | 111.7 | L1380 | F1376-L1380 HydrophobicContact CD1-CD1 4.35Å; F1376-L1380 HydrophobicContact CE1-CB 4.41Å; F1376-L1380 HydrophobicContact CE1-CD1 3.37Å; F1376-L1380 HydrophobicContact CE1-CG 4.49Å; F1376-L1380 HydrophobicContact CZ-CD1 3.66Å | ||
| 1377 | K | 30.2 | Very low | 35.1 | Very low | 170 Ų | 170 | 123 Ų | 123 | 74% | 0.739 | 61% | 0.608 | S | S | * | * | trans | -115.8 | 145.8 | 179.8 | -76.4 | -175.1 | 177.1 | 179.7 | 0 | 111.9 | N1379 | K1377-N1379 PolarHBondContact O-N 2.87Š| ||
| 1378 | P | 33.1 | Very low | 36.3 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -76 | -18.6 | -167 | 28.8 | -36.2 | 0 | 0 | 0 | 116.2 | L1380 L1381 | P1378-L1380 PolarHBondContact O-N 2.98Å; P1378-L1381 PolarHBondContact O-N 3.03Å |
| 1379 | N | 35.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 118.5 Ų | 118.5 | 67% | 0.674 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -62.8 | 2 | -174.5 | -63.2 | 45.7 | 0 | 0 | 0 | 115.7 | K1377 | K1377-N1379 PolarHBondContact O-N 2.87Š|
| 1380 | L | 41.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -92.2 | -12.8 | 179.4 | -87.8 | 154 | 0 | 0 | 0 | 114 | F1376 P1378 D1382 Q1383 | F1376-L1380 HydrophobicContact CD1-CD1 4.35Å; F1376-L1380 HydrophobicContact CE1-CB 4.41Å; F1376-L1380 HydrophobicContact CE1-CD1 3.37Å; F1376-L1380 HydrophobicContact CE1-CG 4.49Å; F1376-L1380 HydrophobicContact CZ-CD1 3.66Å; P1378-L1380 PolarHBondContact O-N 2.98Å; L1380-D1382 VanDerWaalsContact C-N 3.35Å; L1380-D1382 PolarHBondContact O-N 2.76Å; L1380-Q1383 PolarHBondContact O-N 3.32Å |
| 1381 | L | 40.8 | Very low | 38.4 | Very low | 63 Ų | 63 | 116.6 Ų | 116.6 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -65.7 | -36.3 | 175.3 | -100.1 | 74.5 | 0 | 0 | 0 | 112.7 | P1378 Q1383 L1384 W1480 | P1378-L1381 PolarHBondContact O-N 3.03Å; L1381-Q1383 PolarHBondContact O-N 2.88Å; L1381-Q1383 VanDerWaalsContact O-N 3.17Å; L1381-L1384 PolarHBondContact O-N 3Å; L1381-W1480 HydrophobicContact CD1-CH2 3.7Å; L1381-W1480 HydrophobicContact CD1-CZ2 4.3Å; L1381-W1480 HydrophobicContact CD1-CZ3 3.97Å; L1381-W1480 HydrophobicContact CD2-CZ2 4.34Å; L1381-W1480 HydrophobicContact CG-CH2 3.93Å; L1381-W1480 HydrophobicContact CG-CZ2 4.07Å |
| 1382 | D | 43 | Very low | 38.7 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -70.8 | -6.1 | 179.9 | -62.1 | -28.3 | 0 | 0 | 0 | 113.4 | L1380 | L1380-D1382 VanDerWaalsContact C-N 3.35Å; L1380-D1382 PolarHBondContact O-N 2.76Å |
| 1383 | Q | 44.3 | Very low | 38.8 | Very low | 140 Ų | 140 | 115.2 Ų | 115.2 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -100.4 | 0.9 | -178.1 | -61.1 | -168.2 | -14.2 | 0 | 0 | 113.8 | L1380 L1381 K1385 | L1380-Q1383 PolarHBondContact O-N 3.32Å; L1381-Q1383 PolarHBondContact O-N 2.88Å; L1381-Q1383 VanDerWaalsContact O-N 3.17Å; Q1383-K1385 PolarHBondContact O-N 2.65Å; Q1383-K1385 VanDerWaalsContact O-N 3.17Å |
| 1384 | L | 46.1 | Very low | 38.9 | Very low | 39 Ų | 39 | 116 Ų | 116 | 20% | 0.204 | 57% | 0.572 | C | S | . | * | trans | -71.6 | 106.3 | 178.3 | -65.7 | 174 | 0 | 0 | 0 | 111.2 | L1381 V1445 W1480 | L1381-L1384 PolarHBondContact O-N 3Å; L1384-V1445 HydrophobicContact CD2-CB 4.42Å; L1384-V1445 HydrophobicContact CD2-CG1 4.41Å; L1384-V1445 HydrophobicContact CD2-CG2 3.92Å; L1384-W1480 HydrophobicContact CD1-CH2 4.08Å; L1384-W1480 HydrophobicContact CD1-CZ2 3.87Å | ||
| 1385 | K | 51.8 | Low | 38.8 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 45% | 0.448 | 57% | 0.567 | S | S | . | * | trans | -95.8 | 149.1 | 174.2 | -77.9 | -169.5 | 169.2 | -171.6 | 0 | 112.3 | Q1383 D1524 | Q1383-K1385 PolarHBondContact O-N 2.65Å; Q1383-K1385 VanDerWaalsContact O-N 3.17Å; K1385-D1524 IonicContact NZ-OD1 3.44Å; K1385-D1524 PolarHBondContact NZ-OD1 2.58Å | ||
| 1386 | L | 50 | Low | 38.9 | Very low | 19 Ų | 19 | 106.1 Ų | 106.1 | 10% | 0.099 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.7 | 157.6 | -75.4 | 164.5 | 0 | 0 | 0 | 109.1 | ||
| 1387 | T | 51.1 | Low | 39.1 | Very low | 29 Ų | 29 | 106.3 Ų | 106.3 | 18% | 0.178 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.5 | -176 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | Y1441 R1442 M1444 L1446 | T1387-Y1441 WeakPolarHBondContact O-CA 3.34Å; T1387-R1442 PolarHBondContact N-O 2.8Å; T1387-R1442 PolarHBondContact O-N 2.86Å; T1387-R1442 PolarHBondContact OG1-O 3.08Å; T1387-M1444 VanDerWaalsContact OG1-CE 3.25Å; T1387-M1444 WeakPolarHBondContact OG1-CE 3.33Å; T1387-L1446 HydrophobicContact CG2-CD1 4.37Å |
| 1388 | L | 51 | Low | 39.2 | Very low | 71 Ų | 71 | 102.1 Ų | 102.1 | 37% | 0.372 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.9 | 147.3 | 173.4 | -172.7 | 68.8 | 0 | 0 | 0 | 109.9 | L1439 Y1441 | L1388-L1439 HydrophobicContact CD1-CB 4.27Å; L1388-L1439 HydrophobicContact CD1-CD2 4Å; L1388-Y1441 HydrophobicContact CB-CD1 4.49Å; L1388-Y1441 HydrophobicContact CB-CE1 4.28Å; L1388-Y1441 HydrophobicContact CD1-CD1 4.38Å; L1388-Y1441 HydrophobicContact CD1-CE1 4.01Å |
| 1389 | I | 50.6 | Low | 39.2 | Very low | 90 Ų | 90 | 103.5 Ų | 103.5 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -89 | 123.5 | 176.7 | -57.1 | 175.6 | 0 | 0 | 0 | 109.1 | E1391 L1427 A1440 | I1389-E1391 PolarHBondContact O-N 3.46Å; I1389-L1427 HydrophobicContact CD1-CD2 4.29Å; I1389-A1440 HydrophobicContact CD1-CB 4.33Å |
| 1390 | N | 39.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 100.2 Ų | 100.2 | 68% | 0.684 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131 | -166.1 | -79.6 | -9 | 0 | 0 | 0 | 115.7 | N1392 C1393 | N1390-N1392 VanDerWaalsContact C-N 3.29Å; N1390-N1392 PolarHBondContact O-N 2.75Å; N1390-N1392 VanDerWaalsContact O-N 3.15Å; N1390-C1393 PolarHBondContact O-N 2.9Å |
| 1391 | E | 33.4 | Very low | 38.6 | Very low | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -52.7 | -37.2 | -177.9 | -59.5 | 178 | -177.7 | 0 | 0 | 114.8 | I1389 C1393 M1394 | I1389-E1391 PolarHBondContact O-N 3.46Å; E1391-C1393 PolarHBondContact O-N 2.71Å; E1391-C1393 VanDerWaalsContact O-N 3.1Å; E1391-M1394 PolarHBondContact O-N 2.91Å |
| 1392 | N | 33 | Very low | 38.1 | Very low | 149 Ų | 149 | 106.5 Ų | 106.5 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -66.7 | -12.2 | -174.3 | -75.4 | -11.5 | 0 | 0 | 0 | 114.5 | N1390 | N1390-N1392 VanDerWaalsContact C-N 3.29Å; N1390-N1392 PolarHBondContact O-N 2.75Å; N1390-N1392 VanDerWaalsContact O-N 3.15Å |
| 1393 | C | 30.5 | Very low | 37.4 | Very low | 107 Ų | 107 | 105.5 Ų | 105.5 | 72% | 0.723 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -95.5 | -8.5 | 179.1 | -69.3 | 0 | 0 | 0 | 0 | 114.4 | N1390 E1391 | N1390-C1393 PolarHBondContact O-N 2.9Å; E1391-C1393 PolarHBondContact O-N 2.71Å; E1391-C1393 VanDerWaalsContact O-N 3.1Å |
| 1394 | M | 27.3 | Very low | 36.8 | Very low | 119 Ų | 119 | 105.5 Ų | 105.5 | 59% | 0.586 | 60% | 0.604 | S | S | * | * | trans | -131.6 | 27.5 | -169.4 | -75.7 | -61.1 | -59.4 | 0 | 0 | 114.9 | E1391 G1396 | E1391-M1394 PolarHBondContact O-N 2.91Å; M1394-G1396 PolarHBondContact O-N 3.34Å | ||
| 1395 | K | 26.1 | Very low | 36.2 | Very low | 191 Ų | 191 | 107.8 Ų | 107.8 | 83% | 0.83 | 62% | 0.617 | S | S | * | * | trans | -81.2 | 63 | 162.3 | -69.5 | -171.6 | 177.7 | 178.1 | 0 | 110.5 | ||||
| 1396 | G | 31.9 | Very low | 35.3 | Very low | 50 Ų | 50 | 109.3 Ų | 109.3 | 52% | 0.515 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -165.4 | 122.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1394 | M1394-G1396 PolarHBondContact O-N 3.34Š|
| 1397 | L | 30.3 | Very low | 34.8 | Very low | 175 Ų | 175 | 116.1 Ų | 116.1 | 92% | 0.916 | 66% | 0.658 | S | S | * | * | trans | -63.4 | 147 | -157.8 | -126.3 | 70.9 | 0 | 0 | 0 | 116.8 | ||||
| 1398 | A | 33.4 | Very low | 34.3 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | trans | 58.3 | 97.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | G1400 | A1398-G1400 PolarHBondContact O-N 3.28Å; A1398-G1400 VanDerWaalsContact O-N 3.14Å | ||
| 1399 | V | 33.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -71.3 | 99 | 151.3 | -179.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 1400 | G | 33 | Very low | 34.4 | Very low | 57 Ų | 57 | 118 Ų | 118 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -67.5 | 155.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1398 G1402 | A1398-G1400 PolarHBondContact O-N 3.28Å; A1398-G1400 VanDerWaalsContact O-N 3.14Å; G1400-G1402 PolarHBondContact O-N 3.17Å | ||
| 1401 | F | 30.2 | Very low | 35.8 | Very low | 208 Ų | 208 | 113.2 Ų | 113.2 | 91% | 0.912 | 64% | 0.642 | S | S | * | * | trans | -57.8 | 97.2 | -178.8 | -70.9 | -84.4 | 0 | 0 | 0 | 113.4 | C1403 | F1401-C1403 PolarHBondContact O-N 2.8Š| ||
| 1402 | G | 30.7 | Very low | 37.3 | Very low | 70 Ų | 70 | 106.9 Ų | 106.9 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | trans | -70 | 79.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1400 L1404 | G1400-G1402 PolarHBondContact O-N 3.17Å; G1402-L1404 VanDerWaalsContact C-N 3.3Å; G1402-L1404 PolarHBondContact O-N 3.25Å | ||
| 1403 | C | 29.2 | Very low | 38.4 | Very low | 117 Ų | 117 | 100 Ų | 100 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | trans | -73.6 | 78.1 | 173.2 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | F1401 | F1401-C1403 PolarHBondContact O-N 2.8Š| ||
| 1404 | L | 30.4 | Very low | 39.4 | Very low | 140 Ų | 140 | 95.3 Ų | 95.3 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -176.9 | 122.4 | 152.2 | -99 | 153.6 | 0 | 0 | 0 | 112.7 | G1402 H1406 | G1402-L1404 VanDerWaalsContact C-N 3.3Å; G1402-L1404 PolarHBondContact O-N 3.25Å; L1404-H1406 VanDerWaalsContact C-N 3.34Å; L1404-H1406 PolarHBondContact O-N 3.46Å |
| 1405 | N | 33.8 | Very low | 40.5 | Very low | 87 Ų | 87 | 90.6 Ų | 90.6 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 57.1 | -2.1 | 158.8 | -65.2 | 17.7 | 0 | 0 | 0 | 122.3 | D1354 | D1354-N1405 PolarHBondContact OD1-ND2 3.31Å; D1354-N1405 PolarHBondContact OD2-ND2 3.07Å |
| 1406 | H | 33 | Very low | 41.5 | Very low | 135 Ų | 135 | 85.4 Ų | 85.4 | 63% | 0.625 | 50% | 0.503 | S | S | * | . | trans | -108.8 | 101.2 | 166.9 | -68.4 | -84.6 | 0 | 0 | 0 | 109.9 | L1404 Y1424 | L1404-H1406 VanDerWaalsContact C-N 3.34Å; L1404-H1406 PolarHBondContact O-N 3.46Å; H1406-Y1424 HydrophobicContact CB-CE2 4.38Å | ||
| 1407 | M | 40.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 85.1 Ų | 85.1 | 79% | 0.793 | 49% | 0.492 | S | S | * | . | trans | -93.2 | 166.5 | -172.3 | -65.3 | -173.4 | 69.8 | 0 | 0 | 112.7 | ||||
| 1408 | I | 40.9 | Very low | 43.8 | Very low | 78 Ų | 78 | 77.5 Ų | 77.5 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | trans | -101.6 | 121.2 | -179.6 | -36.4 | 175.6 | 0 | 0 | 0 | 108.8 | L1411 Y1422 T1423 | I1408-L1411 HydrophobicContact CB-CD1 4.02Å; I1408-L1411 HydrophobicContact CG2-CD1 3.64Å; I1408-Y1422 HydrophobicContact CD1-CD2 4.25Å; I1408-Y1422 HydrophobicContact CD1-CE2 4.46Å; I1408-Y1422 HydrophobicContact CG2-CD2 3.65Å; I1408-Y1422 HydrophobicContact CG2-CG 4.26Å; I1408-T1423 VanDerWaalsContact CG2-O 3.26Å; I1408-T1423 WeakPolarHBondContact CG2-O 3.43Å | ||
| 1409 | D | 47 | Very low | 45 | Very low | 119 Ų | 119 | 74.4 Ų | 74.4 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | trans | -88.2 | -32.2 | -165.9 | -67.6 | -43.1 | 0 | 0 | 0 | 115.2 | ||||
| 1410 | N | 56.4 | Low | 46.7 | Very low | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.171 | 40% | 0.395 | C | S | . | . | trans | -140.2 | 130.9 | -169.5 | -79.3 | -75.1 | 0 | 0 | 0 | 114.4 | T1423 F1460 N1461 S1462 I1463 | N1410-T1423 HydrophobicContact CB-CG2 4.26Å; N1410-T1423 WeakPolarHBondContact CB-OG1 3.22Å; N1410-T1423 PolarHBondContact N-OG1 2.99Å; N1410-F1460 PolarHBondContact ND2-O 2.59Å; N1410-N1461 PolarHBondContact ND2-O 2.82Å; N1410-N1461 PolarHBondContact OD1-O 3.13Å; N1410-S1462 WeakPolarHBondContact OD1-CA 3.5Å; N1410-I1463 HydrophobicContact CB-CB 4.43Å; N1410-I1463 HydrophobicContact CB-CG2 3.76Å | ||
| 1411 | L | 68.6 | Low | 48.5 | Very low | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | trans | -154.6 | 143.3 | -171.6 | -82 | 107.7 | 0 | 0 | 0 | 112.9 | I1408 F1420 L1947 N1948 | I1408-L1411 HydrophobicContact CB-CD1 4.02Å; I1408-L1411 HydrophobicContact CG2-CD1 3.64Å; L1411-F1420 HydrophobicContact CD2-CD2 4.4Å; L1411-F1420 HydrophobicContact CD2-CE2 3.69Å; L1411-F1420 HydrophobicContact CD2-CZ 3.9Å; L1411-L1947 CarbonylContact C-O 3.53Å; L1411-L1947 HydrophobicContact CB-CB 3.56Å; L1411-L1947 HydrophobicContact CB-CD2 4.21Å; L1411-L1947 HydrophobicContact CD2-CB 3.48Å; L1411-L1947 VanDerWaalsContact CD2-CB 3.48Å; L1411-L1947 HydrophobicContact CD2-CD2 4.39Å; L1411-L1947 HydrophobicContact CD2-CG 4.28Å; L1411-L1947 HydrophobicContact CG-CB 3.76Å; L1411-L1947 HydrophobicContact CG-CD2 4.11Å; L1411-L1947 HydrophobicContact CG-CG 4.5Å; L1411-N1948 HydrophobicContact CB-CB 3.64Å; L1411-N1948 HydrophobicContact CD2-CB 4.01Å; L1411-N1948 VanDerWaalsContact CD2-CG 3.47Å; L1411-N1948 WeakPolarHBondContact CD2-OD1 3.49Å; L1411-N1948 HydrophobicContact CG-CB 4.23Å | ||
| 1412 | I | 63.6 | Low | 50.6 | Low | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -126.1 | 127.2 | 177.9 | -69.2 | 155.5 | 0 | 0 | 0 | 116.6 | D1414 I1463 L1465 L1472 L1947 | I1412-D1414 PolarHBondContact O-N 2.6Å; I1412-I1463 HydrophobicContact CD1-CB 4.1Å; I1412-I1463 HydrophobicContact CD1-CD1 4.05Å; I1412-I1463 HydrophobicContact CD1-CG1 3.66Å; I1412-I1463 HydrophobicContact CD1-CG2 3.67Å; I1412-I1463 HydrophobicContact CG1-CG2 3.94Å; I1412-L1465 HydrophobicContact CD1-CB 4.13Å; I1412-L1465 VanDerWaalsContact CD1-N 3.32Å; I1412-L1465 HydrophobicContact CG2-CB 3.83Å; I1412-L1465 HydrophobicContact CG2-CD2 4.1Å; I1412-L1472 HydrophobicContact CD1-CD1 3.58Å; I1412-L1947 CarbonylContact C-O 3.58Å; I1412-L1947 WeakPolarHBondContact CA-O 3.44Å; I1412-L1947 HydrophobicContact CB-CD1 4.28Å; I1412-L1947 PolarHBondContact N-O 2.82Å; I1412-L1947 WeakPolarHBondContact O-CA 3.27Å; I1412-L1947 WeakPolarHBondContact O-CB 3.35Å; I1412-L1947 WeakPolarHBondContact O-CD1 3.4Å; I1412-L1947 PolarHBondContact O-N 2.9Å | ||
| 1413 | W | 57.3 | Low | 52.2 | Low | 6 Ų | 6 | 56.2 Ų | 56.2 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | trans | -80.9 | 120.4 | 176.5 | -120.4 | 47.8 | 0 | 0 | 0 | 114.8 | S1415 T1940 S1946 L1947 Y1995 R2001 | W1413-S1415 VanDerWaalsContact CZ3-CB 3.48Å; W1413-T1940 HydrophobicContact CH2-CG2 3.67Å; W1413-T1940 VanDerWaalsContact CZ2-CB 3.44Å; W1413-T1940 HydrophobicContact CZ2-CG2 4.13Å; W1413-T1940 HydrophobicContact CZ3-CG2 4.35Å; W1413-S1946 VanDerWaalsContact CD2-OG 3.3Å; W1413-S1946 VanDerWaalsContact CE2-CB 3.4Å; W1413-S1946 VanDerWaalsContact CG-OG 3.26Å; W1413-S1946 VanDerWaalsContact NE1-CB 3.33Å; W1413-S1946 PolarHBondContact NE1-O 2.91Å; W1413-S1946 PolarHBondContact NE1-OG 3.14Å; W1413-L1947 PolarHBondContact N-O 2.88Å; W1413-L1947 VanDerWaalsContact N-O 3.08Å; W1413-Y1995 HydrophobicContact CD2-CE1 4.23Å; W1413-Y1995 HydrophobicContact CE3-CD1 4.35Å; W1413-Y1995 AromaticContact CE3-CE1 3.64Å; W1413-Y1995 HydrophobicContact CE3-CE1 3.64Å; W1413-Y1995 AromaticContact CE3-CZ 3.8Å; W1413-Y1995 HydrophobicContact CZ3-CE1 4.35Å; W1413-R2001 PolarHBondContact O-NH2 2.89Å | ||
| 1414 | D | 51.8 | Low | 53.7 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | trans | -127.9 | 106 | 158.8 | -176 | -0.8 | 0 | 0 | 0 | 110.3 | I1412 D1416 T1417 K1469 N1945 S1946 | I1412-D1414 PolarHBondContact O-N 2.6Å; D1414-D1416 PolarHBondContact OD1-N 3.42Å; D1414-T1417 PolarHBondContact OD1-OG1 3.41Å; D1414-T1417 WeakPolarHBondContact OD2-CG2 3.25Å; D1414-T1417 PolarHBondContact OD2-OG1 3.49Å; D1414-K1469 WeakPolarHBondContact OD1-CE 3.37Å; D1414-K1469 IonicContact OD1-NZ 2.67Å; D1414-K1469 PolarHBondContact OD1-NZ 2.76Å; D1414-K1469 WeakPolarHBondContact OD2-CD 3.34Å; D1414-K1469 IonicContact OD2-NZ 3.75Å; D1414-N1945 VanDerWaalsContact O-O 3.1Å; D1414-S1946 WeakPolarHBondContact CA-OG 2.94Å; D1414-S1946 PolarHBondContact N-OG 2.96Å; D1414-S1946 WeakPolarHBondContact O-CB 3.29Å; D1414-S1946 PolarHBondContact O-OG 3.06Å | ||
| 1415 | S | 49.2 | Very low | 55.3 | Low | 21 Ų | 21 | 54 Ų | 54 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -14.7 | -176.5 | 61 | 0 | 0 | 0 | 0 | 115 | W1413 S1946 R2001 E2013 | W1413-S1415 VanDerWaalsContact CZ3-CB 3.48Å; S1415-S1946 PolarHBondContact N-OG 2.76Å; S1415-R2001 WeakPolarHBondContact OG-CD 3.33Å; S1415-R2001 PolarHBondContact OG-NE 2.99Å; S1415-E2013 PolarHBondContact OG-OE2 3.3Å |
| 1416 | D | 47.5 | Very low | 56.7 | Low | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -44.7 | 178.4 | -74.7 | -33.1 | 0 | 0 | 0 | 111.7 | D1414 K1469 L2010 E2013 | D1414-D1416 PolarHBondContact OD1-N 3.42Å; D1416-K1469 IonicContact OD2-NZ 3.67Å; D1416-K1469 PolarHBondContact OD2-NZ 2.98Å; D1416-L2010 WeakPolarHBondContact OD1-CD2 3.48Å; D1416-E2013 VanDerWaalsContact OD1-CB 3.28Å; D1416-E2013 WeakPolarHBondContact OD1-CB 3.42Å; D1416-E2013 VanDerWaalsContact OD2-CB 3.29Å; D1416-E2013 WeakPolarHBondContact OD2-CB 2.84Å |
| 1417 | T | 51.8 | Low | 58.3 | Low | 45 Ų | 45 | 46.2 Ų | 46.2 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -26.4 | -172 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | D1414 I1419 K1469 F1502 | D1414-T1417 PolarHBondContact OD1-OG1 3.41Å; D1414-T1417 WeakPolarHBondContact OD2-CG2 3.25Å; D1414-T1417 PolarHBondContact OD2-OG1 3.49Å; T1417-I1419 PolarHBondContact OG1-N 2.93Å; T1417-K1469 HydrophobicContact CG2-CD 4.44Å; T1417-F1502 HydrophobicContact CG2-CE1 3.6Å; T1417-F1502 HydrophobicContact CG2-CZ 3.77Å |
| 1418 | G | 58.9 | Low | 60 | Low | 14 Ų | 14 | 38.6 Ų | 38.6 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 97 | -148.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1945 | G1418-N1945 VanDerWaalsContact C-ND2 3.27Å; G1418-N1945 CarbonylContact C-O 3.58Å; G1418-N1945 VanDerWaalsContact CA-CB 3.45Å; G1418-N1945 WeakPolarHBondContact CA-O 3.26Å; G1418-N1945 PolarHBondContact O-ND2 2.95Å |
| 1419 | I | 58 | Low | 61.4 | Low | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | trans | -138.1 | 109.4 | 156.9 | -50.5 | 177.3 | 0 | 0 | 0 | 112.3 | T1417 I1421 I1430 L1521 N1945 L1947 | T1417-I1419 PolarHBondContact OG1-N 2.93Å; I1419-I1421 HydrophobicContact CG2-CD1 3.74Å; I1419-I1421 HydrophobicContact CG2-CG1 3.54Å; I1419-I1430 HydrophobicContact CG2-CG2 3.91Å; I1419-L1521 HydrophobicContact CG2-CD1 4.37Å; I1419-N1945 VanDerWaalsContact C-C 3.48Å; I1419-N1945 CarbonylContact C-O 3.49Å; I1419-N1945 VanDerWaalsContact CA-ND2 3.33Å; I1419-N1945 WeakPolarHBondContact CA-ND2 3.03Å; I1419-N1945 WeakPolarHBondContact CA-O 3.29Å; I1419-N1945 PolarHBondContact N-O 2.73Å; I1419-L1947 VanDerWaalsContact O-CD1 3.24Å; I1419-L1947 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1420 | F | 69.2 | Low | 62.5 | Low | 30 Ų | 30 | 30.7 Ų | 30.7 | 13% | 0.132 | 16% | 0.157 | C | C | . | . | trans | -94.4 | 140.8 | 168.3 | -164.9 | -116.8 | 0 | 0 | 0 | 109 | L1411 Y1422 I1430 E1431 A1944 N1945 S1946 L1947 | L1411-F1420 HydrophobicContact CD2-CD2 4.4Å; L1411-F1420 HydrophobicContact CD2-CE2 3.69Å; L1411-F1420 HydrophobicContact CD2-CZ 3.9Å; F1420-Y1422 AromaticContact CD1-CD1 3.27Å; F1420-Y1422 HydrophobicContact CD1-CD1 3.27Å; F1420-Y1422 AromaticContact CD1-CE1 3.69Å; F1420-Y1422 HydrophobicContact CD1-CE1 3.69Å; F1420-Y1422 HydrophobicContact CD1-CG 4.35Å; F1420-Y1422 AromaticContact CE1-CD1 3.21Å; F1420-Y1422 HydrophobicContact CE1-CD1 3.21Å; F1420-Y1422 AromaticContact CE1-CE1 3.52Å; F1420-Y1422 HydrophobicContact CE1-CE1 3.52Å; F1420-Y1422 HydrophobicContact CE1-CG 4.07Å; F1420-Y1422 HydrophobicContact CG-CD1 4.26Å; F1420-Y1422 HydrophobicContact CZ-CD1 4.2Å; F1420-I1430 CarbonylContact O-C 3.42Å; F1420-I1430 WeakPolarHBondContact O-CA 3.48Å; F1420-I1430 WeakPolarHBondContact O-CG2 3.24Å; F1420-E1431 HydrophobicContact CB-CB 4.4Å; F1420-E1431 HydrophobicContact CD1-CG 4.07Å; F1420-E1431 WeakPolarHBondContact CD1-OE2 3.4Å; F1420-E1431 WeakPolarHBondContact CE1-OE2 3.41Å; F1420-E1431 PolarHBondContact O-N 2.73Å; F1420-A1944 WeakPolarHBondContact CB-O 3.38Å; F1420-A1944 WeakPolarHBondContact CD1-O 3.23Å; F1420-A1944 WeakPolarHBondContact CD2-O 3.34Å; F1420-A1944 WeakPolarHBondContact CG-O 3.4Å; F1420-N1945 VanDerWaalsContact CB-CA 3.47Å; F1420-N1945 HydrophobicContact CB-CB 4.49Å; F1420-N1945 VanDerWaalsContact N-C 3.33Å; F1420-N1945 PolarHBondContact N-O 2.86Å; F1420-S1946 VanDerWaalsContact CD2-C 3.47Å; F1420-S1946 WeakPolarHBondContact CD2-O 3.37Å; F1420-L1947 VanDerWaalsContact CA-CD1 3.45Å; F1420-L1947 HydrophobicContact CB-CD1 4.43Å; F1420-L1947 HydrophobicContact CB-CG 4.21Å; F1420-L1947 HydrophobicContact CD2-CB 3.74Å; F1420-L1947 HydrophobicContact CD2-CG 3.68Å; F1420-L1947 HydrophobicContact CE2-CB 4.15Å; F1420-L1947 HydrophobicContact CE2-CG 4.45Å; F1420-L1947 HydrophobicContact CG-CB 4.48Å; F1420-L1947 HydrophobicContact CG-CG 3.93Å | ||
| 1421 | I | 70.5 | Confident | 62.8 | Low | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 36.5 | -159.7 | -45.6 | 169.7 | 0 | 0 | 0 | 110.4 | I1419 L1428 V1429 I1430 L1472 L1947 | I1419-I1421 HydrophobicContact CG2-CD1 3.74Å; I1419-I1421 HydrophobicContact CG2-CG1 3.54Å; I1421-L1428 HydrophobicContact CG2-CD1 3.7Å; I1421-L1428 HydrophobicContact CG2-CD2 3.89Å; I1421-L1428 HydrophobicContact CG2-CG 3.76Å; I1421-L1428 VanDerWaalsContact O-CD1 3.31Å; I1421-L1428 WeakPolarHBondContact O-CD1 3.32Å; I1421-V1429 CarbonylContact C-O 3.17Å; I1421-V1429 WeakPolarHBondContact CA-O 3.38Å; I1421-I1430 HydrophobicContact CB-CG1 4.23Å; I1421-I1430 HydrophobicContact CG1-CG1 4.31Å; I1421-I1430 HydrophobicContact CG1-CG2 4.41Å; I1421-I1430 HydrophobicContact CG2-CD1 3.91Å; I1421-I1430 HydrophobicContact CG2-CG1 3.68Å; I1421-L1472 HydrophobicContact CD1-CD1 4.48Å; I1421-L1472 HydrophobicContact CD1-CD2 4.14Å; I1421-L1472 HydrophobicContact CG2-CD2 3.98Å; I1421-L1947 HydrophobicContact CB-CD1 3.98Å; I1421-L1947 HydrophobicContact CB-CD2 3.94Å; I1421-L1947 HydrophobicContact CB-CG 4.44Å; I1421-L1947 HydrophobicContact CD1-CD1 4.45Å; I1421-L1947 HydrophobicContact CG1-CD1 4Å; I1421-L1947 VanDerWaalsContact N-CD1 3.29Å; I1421-L1947 WeakPolarHBondContact O-CD2 3.21Å |
| 1422 | Y | 75.5 | Confident | 62.3 | Low | 46 Ų | 46 | 31.6 Ų | 31.6 | 18% | 0.18 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 152.5 | -163.5 | 67.1 | -83.5 | 0 | 0 | 0 | 113.7 | I1408 F1420 V1429 E1431 | I1408-Y1422 HydrophobicContact CD1-CD2 4.25Å; I1408-Y1422 HydrophobicContact CD1-CE2 4.46Å; I1408-Y1422 HydrophobicContact CG2-CD2 3.65Å; I1408-Y1422 HydrophobicContact CG2-CG 4.26Å; F1420-Y1422 AromaticContact CD1-CD1 3.27Å; F1420-Y1422 HydrophobicContact CD1-CD1 3.27Å; F1420-Y1422 AromaticContact CD1-CE1 3.69Å; F1420-Y1422 HydrophobicContact CD1-CE1 3.69Å; F1420-Y1422 HydrophobicContact CD1-CG 4.35Å; F1420-Y1422 AromaticContact CE1-CD1 3.21Å; F1420-Y1422 HydrophobicContact CE1-CD1 3.21Å; F1420-Y1422 AromaticContact CE1-CE1 3.52Å; F1420-Y1422 HydrophobicContact CE1-CE1 3.52Å; F1420-Y1422 HydrophobicContact CE1-CG 4.07Å; F1420-Y1422 HydrophobicContact CG-CD1 4.26Å; F1420-Y1422 HydrophobicContact CZ-CD1 4.2Å; Y1422-V1429 HydrophobicContact CD1-CB 4Å; Y1422-V1429 HydrophobicContact CD1-CG1 4.34Å; Y1422-V1429 HydrophobicContact CD2-CB 4.42Å; Y1422-V1429 HydrophobicContact CE1-CB 3.62Å; Y1422-V1429 HydrophobicContact CE1-CG1 3.56Å; Y1422-V1429 HydrophobicContact CE1-CG2 4.48Å; Y1422-V1429 HydrophobicContact CE2-CB 4.06Å; Y1422-V1429 HydrophobicContact CE2-CG2 4.12Å; Y1422-V1429 HydrophobicContact CG-CB 4.41Å; Y1422-V1429 PolarHBondContact N-O 2.73Å; Y1422-V1429 PolarHBondContact O-N 2.94Å; Y1422-E1431 HydrophobicContact CE1-CG 4.19Å |
| 1423 | T | 63.2 | Low | 61.9 | Low | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | I1408 N1410 L1427 L1428 F1460 I1463 | I1408-T1423 VanDerWaalsContact CG2-O 3.26Å; I1408-T1423 WeakPolarHBondContact CG2-O 3.43Å; N1410-T1423 HydrophobicContact CB-CG2 4.26Å; N1410-T1423 WeakPolarHBondContact CB-OG1 3.22Å; N1410-T1423 PolarHBondContact N-OG1 2.99Å; T1423-L1427 WeakPolarHBondContact CA-O 3.19Å; T1423-L1428 HydrophobicContact CG2-CD1 4.03Å; T1423-F1460 HydrophobicContact CG2-CB 3.83Å; T1423-F1460 HydrophobicContact CG2-CD2 4.19Å; T1423-F1460 HydrophobicContact CG2-CG 4.41Å; T1423-I1463 HydrophobicContact CG2-CD1 4.46Å |
| 1424 | Y | 60.6 | Low | 61.4 | Low | 88 Ų | 88 | 41.7 Ų | 41.7 | 35% | 0.345 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 103 | 168.9 | -177.9 | -86.4 | 0 | 0 | 0 | 109.3 | H1406 S1426 L1427 | H1406-Y1424 HydrophobicContact CB-CE2 4.38Å; Y1424-S1426 VanDerWaalsContact C-N 3.32Å; Y1424-S1426 PolarHBondContact O-N 3.26Å; Y1424-L1427 HydrophobicContact CD1-CD1 4.44Å; Y1424-L1427 PolarHBondContact N-O 3.45Å; Y1424-L1427 WeakPolarHBondContact O-CB 3.43Å; Y1424-L1427 PolarHBondContact O-N 3.2Å |
| 1425 | E | 64.6 | Low | 61.5 | Low | 121 Ų | 121 | 44.5 Ų | 44.5 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -81.4 | -171.4 | -60.5 | -174.5 | 151.4 | 0 | 0 | 114.6 | I1459 | E1425-I1459 WeakPolarHBondContact O-CA 3.24Š|
| 1426 | S | 63.3 | Low | 61.6 | Low | 14 Ų | 14 | 46.2 Ų | 46.2 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 10.1 | -176.6 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | Y1424 E1458 | Y1424-S1426 VanDerWaalsContact C-N 3.32Å; Y1424-S1426 PolarHBondContact O-N 3.26Å; S1426-E1458 WeakPolarHBondContact CA-O 3.25Å; S1426-E1458 WeakPolarHBondContact CB-O 2.94Å |
| 1427 | L | 66.2 | Low | 61.6 | Low | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.6 | 174 | -68.3 | 166.7 | 0 | 0 | 0 | 109.6 | I1389 T1423 Y1424 V1429 R1442 | I1389-L1427 HydrophobicContact CD1-CD2 4.29Å; T1423-L1427 WeakPolarHBondContact CA-O 3.19Å; Y1424-L1427 HydrophobicContact CD1-CD1 4.44Å; Y1424-L1427 PolarHBondContact N-O 3.45Å; Y1424-L1427 WeakPolarHBondContact O-CB 3.43Å; Y1424-L1427 PolarHBondContact O-N 3.2Å; L1427-V1429 HydrophobicContact CB-CG2 4.39Å; L1427-R1442 HydrophobicContact CD2-CB 3.89Å; L1427-R1442 HydrophobicContact CD2-CG 3.87Å |
| 1428 | L | 75.4 | Confident | 62.2 | Low | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 107.9 | 167.1 | -172.1 | 77.1 | 0 | 0 | 0 | 106.8 | I1421 T1423 I1430 Y1441 F1460 I1463 I1474 | I1421-L1428 HydrophobicContact CG2-CD1 3.7Å; I1421-L1428 HydrophobicContact CG2-CD2 3.89Å; I1421-L1428 HydrophobicContact CG2-CG 3.76Å; I1421-L1428 VanDerWaalsContact O-CD1 3.31Å; I1421-L1428 WeakPolarHBondContact O-CD1 3.32Å; T1423-L1428 HydrophobicContact CG2-CD1 4.03Å; L1428-I1430 HydrophobicContact CD2-CD1 4.46Å; L1428-Y1441 PolarHBondContact N-O 3.36Å; L1428-Y1441 PolarHBondContact O-N 3.12Å; L1428-F1460 HydrophobicContact CB-CE2 4.33Å; L1428-I1463 HydrophobicContact CD1-CD1 4.26Å; L1428-I1474 HydrophobicContact CD1-CD1 4.1Å; L1428-I1474 HydrophobicContact CD2-CD1 3.71Å |
| 1429 | V | 71.7 | Confident | 62.3 | Low | 17 Ų | 17 | 53.8 Ų | 53.8 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.2 | -176 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | I1421 Y1422 L1427 E1431 | I1421-V1429 CarbonylContact C-O 3.17Å; I1421-V1429 WeakPolarHBondContact CA-O 3.38Å; Y1422-V1429 HydrophobicContact CD1-CB 4Å; Y1422-V1429 HydrophobicContact CD1-CG1 4.34Å; Y1422-V1429 HydrophobicContact CD2-CB 4.42Å; Y1422-V1429 HydrophobicContact CE1-CB 3.62Å; Y1422-V1429 HydrophobicContact CE1-CG1 3.56Å; Y1422-V1429 HydrophobicContact CE1-CG2 4.48Å; Y1422-V1429 HydrophobicContact CE2-CB 4.06Å; Y1422-V1429 HydrophobicContact CE2-CG2 4.12Å; Y1422-V1429 HydrophobicContact CG-CB 4.41Å; Y1422-V1429 PolarHBondContact N-O 2.73Å; Y1422-V1429 PolarHBondContact O-N 2.94Å; L1427-V1429 HydrophobicContact CB-CG2 4.39Å; V1429-E1431 HydrophobicContact CG1-CG 4.14Å |
| 1430 | I | 69.6 | Low | 62.7 | Low | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.2 | 175.3 | -53.2 | -171 | 0 | 0 | 0 | 108.8 | I1419 F1420 I1421 L1428 L1439 Y1441 L1521 | I1419-I1430 HydrophobicContact CG2-CG2 3.91Å; F1420-I1430 CarbonylContact O-C 3.42Å; F1420-I1430 WeakPolarHBondContact O-CA 3.48Å; F1420-I1430 WeakPolarHBondContact O-CG2 3.24Å; I1421-I1430 HydrophobicContact CB-CG1 4.23Å; I1421-I1430 HydrophobicContact CG1-CG1 4.31Å; I1421-I1430 HydrophobicContact CG1-CG2 4.41Å; I1421-I1430 HydrophobicContact CG2-CD1 3.91Å; I1421-I1430 HydrophobicContact CG2-CG1 3.68Å; L1428-I1430 HydrophobicContact CD2-CD1 4.46Å; I1430-L1439 HydrophobicContact CB-CB 4.45Å; I1430-L1439 PolarHBondContact N-O 2.91Å; I1430-L1439 WeakPolarHBondContact O-CA 3.44Å; I1430-L1439 PolarHBondContact O-N 2.9Å; I1430-Y1441 HydrophobicContact CB-CE2 4.27Å; I1430-Y1441 HydrophobicContact CD1-CD2 3.98Å; I1430-Y1441 HydrophobicContact CD1-CE2 3.79Å; I1430-Y1441 HydrophobicContact CG1-CD2 4.03Å; I1430-Y1441 HydrophobicContact CG1-CE2 4.05Å; I1430-L1521 HydrophobicContact CD1-CD1 4.19Å; I1430-L1521 HydrophobicContact CD1-CD2 4.46Å |
| 1431 | E | 62.3 | Low | 62.4 | Low | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 165.5 | 177.9 | -52.6 | -162 | 124.1 | 0 | 0 | 110.6 | F1420 Y1422 V1429 L1437 Q1438 N1945 | F1420-E1431 HydrophobicContact CB-CB 4.4Å; F1420-E1431 HydrophobicContact CD1-CG 4.07Å; F1420-E1431 WeakPolarHBondContact CD1-OE2 3.4Å; F1420-E1431 WeakPolarHBondContact CE1-OE2 3.41Å; F1420-E1431 PolarHBondContact O-N 2.73Å; Y1422-E1431 HydrophobicContact CE1-CG 4.19Å; V1429-E1431 HydrophobicContact CG1-CG 4.14Å; E1431-L1437 CarbonylContact C-O 3.49Å; E1431-L1437 WeakPolarHBondContact CA-O 3.28Å; E1431-Q1438 HydrophobicContact CG-CG 4.2Å; E1431-Q1438 WeakPolarHBondContact OE1-CG 3.47Å; E1431-Q1438 PolarHBondContact OE1-NE2 3.21Å; E1431-N1945 WeakPolarHBondContact CB-OD1 3.39Å; E1431-N1945 PolarHBondContact O-ND2 2.76Å; E1431-N1945 PolarHBondContact O-OD1 3.24Å; E1431-N1945 VanDerWaalsContact O-OD1 3.11Å |
| 1432 | E | 58.7 | Low | 62.2 | Low | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 64 | 168.2 | -162.5 | -174.1 | -124.8 | 0 | 0 | 110.7 | E1434 T1435 G1436 L1437 N1945 | E1432-E1434 VanDerWaalsContact C-N 3.33Å; E1432-E1434 PolarHBondContact O-N 2.76Å; E1432-T1435 HydrophobicContact CG-CG2 4.43Å; E1432-T1435 CarbonylContact O-C 3.32Å; E1432-T1435 PolarHBondContact O-N 2.74Å; E1432-T1435 PolarHBondContact O-OG1 3.24Å; E1432-T1435 WeakPolarHBondContact OE2-CB 2.88Å; E1432-T1435 WeakPolarHBondContact OE2-CG2 3.21Å; E1432-T1435 PolarHBondContact OE2-OG1 2.89Å; E1432-G1436 PolarHBondContact O-N 2.77Å; E1432-L1437 HydrophobicContact CB-CB 4.17Å; E1432-L1437 PolarHBondContact N-O 3.24Å; E1432-L1437 PolarHBondContact O-N 2.83Å; E1432-N1945 VanDerWaalsContact CA-ND2 3.33Å; E1432-N1945 WeakPolarHBondContact CA-ND2 3.5Å; E1432-N1945 WeakPolarHBondContact CA-OD1 3.38Å; E1432-N1945 PolarHBondContact N-OD1 2.73Å |
| 1433 | L | 55.2 | Low | 61.5 | Low | 58 Ų | 58 | 56.4 Ų | 56.4 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 4.4 | -71.2 | 155.5 | -166.7 | -136.7 | 0 | 0 | 0 | 117.5 | T1435 G1436 E1942 A1944 N1945 | L1433-T1435 VanDerWaalsContact C-N 3.27Å; L1433-T1435 PolarHBondContact O-N 2.91Å; L1433-G1436 PolarHBondContact O-N 3.02Å; L1433-E1942 WeakPolarHBondContact CD2-O 3.4Å; L1433-A1944 HydrophobicContact CD2-CB 4.43Å; L1433-A1944 HydrophobicContact CG-CB 4.2Å; L1433-N1945 HydrophobicContact CB-CB 3.36Å; L1433-N1945 VanDerWaalsContact CB-CG 3.41Å; L1433-N1945 WeakPolarHBondContact CB-OD1 3.34Å; L1433-N1945 HydrophobicContact CD1-CB 4Å; L1433-N1945 HydrophobicContact CG-CB 3.97Å; L1433-N1945 PolarHBondContact N-OD1 2.99Å |
| 1434 | E | 46.4 | Very low | 60.7 | Low | 165 Ų | 165 | 59.9 Ų | 59.9 | 77% | 0.771 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.3 | -171.9 | -56.7 | -166.5 | 154.6 | 0 | 0 | 113.2 | E1432 | E1432-E1434 VanDerWaalsContact C-N 3.33Å; E1432-E1434 PolarHBondContact O-N 2.76Å |
| 1435 | T | 53.1 | Low | 59.9 | Low | 66 Ų | 66 | 60.1 Ų | 60.1 | 41% | 0.405 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -14.9 | 175.7 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | E1432 L1433 L1437 F1518 | E1432-T1435 HydrophobicContact CG-CG2 4.43Å; E1432-T1435 CarbonylContact O-C 3.32Å; E1432-T1435 PolarHBondContact O-N 2.74Å; E1432-T1435 PolarHBondContact O-OG1 3.24Å; E1432-T1435 WeakPolarHBondContact OE2-CB 2.88Å; E1432-T1435 WeakPolarHBondContact OE2-CG2 3.21Å; E1432-T1435 PolarHBondContact OE2-OG1 2.89Å; L1433-T1435 VanDerWaalsContact C-N 3.27Å; L1433-T1435 PolarHBondContact O-N 2.91Å; T1435-L1437 PolarHBondContact O-N 2.92Å; T1435-L1437 WeakPolarHBondContact OG1-CB 3.48Å; T1435-L1437 WeakPolarHBondContact OG1-CD1 3.27Å; T1435-L1437 WeakPolarHBondContact OG1-CG 3.48Å; T1435-L1437 PolarHBondContact OG1-N 3.3Å; T1435-F1518 HydrophobicContact CG2-CE2 4.43Å |
| 1436 | G | 51 | Low | 58.8 | Low | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 11.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1432 L1433 | E1432-G1436 PolarHBondContact O-N 2.77Å; L1433-G1436 PolarHBondContact O-N 3.02Å |
| 1437 | L | 48.7 | Very low | 57.5 | Low | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 139.5 | -179.8 | -75.1 | 167.8 | 0 | 0 | 0 | 111.5 | E1431 E1432 T1435 | E1431-L1437 CarbonylContact C-O 3.49Å; E1431-L1437 WeakPolarHBondContact CA-O 3.28Å; E1432-L1437 HydrophobicContact CB-CB 4.17Å; E1432-L1437 PolarHBondContact N-O 3.24Å; E1432-L1437 PolarHBondContact O-N 2.83Å; T1435-L1437 PolarHBondContact O-N 2.92Å; T1435-L1437 WeakPolarHBondContact OG1-CB 3.48Å; T1435-L1437 WeakPolarHBondContact OG1-CD1 3.27Å; T1435-L1437 WeakPolarHBondContact OG1-CG 3.48Å; T1435-L1437 PolarHBondContact OG1-N 3.3Å |
| 1438 | Q | 64.1 | Low | 55.9 | Low | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.3 | 175 | -68.9 | 177.7 | -33.1 | 0 | 0 | 109.7 | E1431 | E1431-Q1438 HydrophobicContact CG-CG 4.2Å; E1431-Q1438 WeakPolarHBondContact OE1-CG 3.47Å; E1431-Q1438 PolarHBondContact OE1-NE2 3.21Å |
| 1439 | L | 60.2 | Low | 53.8 | Low | 71 Ų | 71 | 73.6 Ų | 73.6 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 96.5 | -177.9 | -64.5 | 175.1 | 0 | 0 | 0 | 110 | L1388 I1430 Y1441 | L1388-L1439 HydrophobicContact CD1-CB 4.27Å; L1388-L1439 HydrophobicContact CD1-CD2 4Å; I1430-L1439 HydrophobicContact CB-CB 4.45Å; I1430-L1439 PolarHBondContact N-O 2.91Å; I1430-L1439 WeakPolarHBondContact O-CA 3.44Å; I1430-L1439 PolarHBondContact O-N 2.9Å; L1439-Y1441 HydrophobicContact CB-CE2 3.81Å; L1439-Y1441 WeakPolarHBondContact O-CD2 3.39Å |
| 1440 | A | 67.4 | Low | 52 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 26% | 0.256 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1389 | I1389-A1440 HydrophobicContact CD1-CB 4.33Å |
| 1441 | Y | 63.2 | Low | 50 | Low | 29 Ų | 29 | 79.5 Ų | 79.5 | 11% | 0.114 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.2 | 175.8 | -64.3 | -87.5 | 0 | 0 | 0 | 111.5 | T1387 L1388 L1428 I1430 L1439 C1523 | T1387-Y1441 WeakPolarHBondContact O-CA 3.34Å; L1388-Y1441 HydrophobicContact CB-CD1 4.49Å; L1388-Y1441 HydrophobicContact CB-CE1 4.28Å; L1388-Y1441 HydrophobicContact CD1-CD1 4.38Å; L1388-Y1441 HydrophobicContact CD1-CE1 4.01Å; L1428-Y1441 PolarHBondContact N-O 3.36Å; L1428-Y1441 PolarHBondContact O-N 3.12Å; I1430-Y1441 HydrophobicContact CB-CE2 4.27Å; I1430-Y1441 HydrophobicContact CD1-CD2 3.98Å; I1430-Y1441 HydrophobicContact CD1-CE2 3.79Å; I1430-Y1441 HydrophobicContact CG1-CD2 4.03Å; I1430-Y1441 HydrophobicContact CG1-CE2 4.05Å; L1439-Y1441 HydrophobicContact CB-CE2 3.81Å; L1439-Y1441 WeakPolarHBondContact O-CD2 3.39Å; Y1441-C1523 HydrophobicContact CE1-CB 4.24Å |
| 1442 | R | 66 | Low | 48.6 | Very low | 80 Ų | 80 | 84.7 Ų | 84.7 | 30% | 0.302 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.3 | 176.7 | -158.3 | -179.2 | -168.2 | -171.6 | 5.8 | 111.8 | T1387 L1427 M1444 | T1387-R1442 PolarHBondContact N-O 2.8Å; T1387-R1442 PolarHBondContact O-N 2.86Å; T1387-R1442 PolarHBondContact OG1-O 3.08Å; L1427-R1442 HydrophobicContact CD2-CB 3.89Å; L1427-R1442 HydrophobicContact CD2-CG 3.87Å; R1442-M1444 HydrophobicContact CG-CG 4.43Å |
| 1443 | S | 59.7 | Low | 47.1 | Very low | 15 Ų | 15 | 86.1 Ų | 86.1 | 11% | 0.105 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.6 | 165.9 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1444 | M | 47.1 | Very low | 46 | Very low | 75 Ų | 75 | 90.2 Ų | 90.2 | 37% | 0.369 | 53% | 0.532 | S | S | . | . | trans | -139.3 | 147.2 | 178 | -69.9 | -157.7 | -67.3 | 0 | 0 | 111.8 | T1387 R1442 | T1387-M1444 VanDerWaalsContact OG1-CE 3.25Å; T1387-M1444 WeakPolarHBondContact OG1-CE 3.33Å; R1442-M1444 HydrophobicContact CG-CG 4.43Å | ||
| 1445 | V | 44.4 | Very low | 45.4 | Very low | 94 Ų | 94 | 90.2 Ų | 90.2 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | trans | -94.5 | 112.7 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | L1384 S1447 | L1384-V1445 HydrophobicContact CD2-CB 4.42Å; L1384-V1445 HydrophobicContact CD2-CG1 4.41Å; L1384-V1445 HydrophobicContact CD2-CG2 3.92Å; V1445-S1447 PolarHBondContact O-N 2.91Å; V1445-S1447 VanDerWaalsContact O-N 3.11Å | ||
| 1446 | L | 40.3 | Very low | 44.8 | Very low | 139 Ų | 139 | 90.4 Ų | 90.4 | 73% | 0.728 | 54% | 0.538 | S | S | * | . | trans | -70.7 | 106.7 | 171.3 | -85.9 | 85.3 | 0 | 0 | 0 | 109.7 | T1387 S1448 | T1387-L1446 HydrophobicContact CG2-CD1 4.37Å; L1446-S1448 VanDerWaalsContact C-N 3.28Å; L1446-S1448 PolarHBondContact O-N 3.31Å | ||
| 1447 | S | 36.9 | Very low | 44.8 | Very low | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | trans | -79.1 | 67.7 | -177.6 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | V1445 L1449 | V1445-S1447 PolarHBondContact O-N 2.91Å; V1445-S1447 VanDerWaalsContact O-N 3.11Å; S1447-L1449 PolarHBondContact O-N 3.46Å | ||
| 1448 | S | 32 | Very low | 45.3 | Very low | 111 Ų | 111 | 85.5 Ų | 85.5 | 78% | 0.776 | 51% | 0.507 | S | S | * | . | trans | -72.4 | 36.3 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | L1446 | L1446-S1448 VanDerWaalsContact C-N 3.28Å; L1446-S1448 PolarHBondContact O-N 3.31Å | ||
| 1449 | L | 32.3 | Very low | 45.3 | Very low | 154 Ų | 154 | 83.1 Ų | 83.1 | 81% | 0.806 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -163.8 | 90.4 | 167.3 | -140.6 | 75.1 | 0 | 0 | 0 | 112 | S1447 C1451 | S1447-L1449 PolarHBondContact O-N 3.46Å; L1449-C1451 VanDerWaalsContact C-N 3.3Å; L1449-C1451 PolarHBondContact O-N 3.29Å |
| 1450 | G | 33.6 | Very low | 45.7 | Very low | 86 Ų | 86 | 80 Ų | 80 | 89% | 0.887 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 58.6 | 17.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 1451 | C | 28.2 | Very low | 45.7 | Very low | 67 Ų | 67 | 81.3 Ų | 81.3 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | trans | -101.7 | 123.9 | 179.6 | -166.6 | 0 | 0 | 0 | 0 | 111 | L1449 T1453 | L1449-C1451 VanDerWaalsContact C-N 3.3Å; L1449-C1451 PolarHBondContact O-N 3.29Å; C1451-T1453 PolarHBondContact O-N 3.03Å | ||
| 1452 | T | 31 | Very low | 46 | Very low | 141 Ų | 141 | 80.2 Ų | 80.2 | 87% | 0.865 | 48% | 0.48 | S | S | * | . | trans | -92.8 | 14.3 | -171.4 | 50.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1453 | T | 27.8 | Very low | 46.6 | Very low | 79 Ų | 79 | 77.2 Ų | 77.2 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | trans | -129.3 | 112.6 | -178.3 | 53 | 0 | 0 | 0 | 0 | 111.6 | C1451 F1455 | C1451-T1453 PolarHBondContact O-N 3.03Å; T1453-F1455 WeakPolarHBondContact O-CD2 3.5Å; T1453-F1455 PolarHBondContact O-N 3.03Å | ||
| 1454 | N | 32.4 | Very low | 47.4 | Very low | 145 Ų | 145 | 76.7 Ų | 76.7 | 78% | 0.775 | 47% | 0.467 | S | S | * | . | trans | -76.4 | 112.1 | 176.1 | -67 | -8.7 | 0 | 0 | 0 | 109.7 | ||||
| 1455 | F | 34.9 | Very low | 48.7 | Very low | 164 Ų | 164 | 73.4 Ų | 73.4 | 72% | 0.719 | 45% | 0.45 | S | S | * | . | trans | -78.7 | 152.9 | 173.7 | -76.4 | -93.2 | 0 | 0 | 0 | 111.6 | T1453 | T1453-F1455 WeakPolarHBondContact O-CD2 3.5Å; T1453-F1455 PolarHBondContact O-N 3.03Å | ||
| 1456 | A | 40.3 | Very low | 49.8 | Very low | 70 Ų | 70 | 69 Ų | 69 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | trans | -126.5 | 110.7 | -161.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1457 | G | 50.4 | Low | 50.8 | Low | 35 Ų | 35 | 62.4 Ų | 62.4 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | trans | 77 | 136.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1458 | E | 59.3 | Low | 52.2 | Low | 19 Ų | 19 | 62.3 Ų | 62.3 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | trans | -94.1 | 152.8 | 156.7 | -65.4 | 176.9 | -160.3 | 0 | 0 | 109 | S1426 S1476 N1478 R1528 | S1426-E1458 WeakPolarHBondContact CA-O 3.25Å; S1426-E1458 WeakPolarHBondContact CB-O 2.94Å; E1458-S1476 WeakPolarHBondContact OE2-CB 3.03Å; E1458-S1476 PolarHBondContact OE2-OG 2.82Å; E1458-N1478 PolarHBondContact OE1-OD1 2.9Å; E1458-N1478 PolarHBondContact OE2-OD1 2.99Å; E1458-N1478 VanDerWaalsContact OE2-OD1 3.13Å; E1458-R1528 IonicContact OE1-CZ 4Å; E1458-R1528 IonicContact OE1-NH1 2.98Å; E1458-R1528 PolarHBondContact OE1-NH1 3.13Å; E1458-R1528 IonicContact OE1-NH2 3.89Å; E1458-R1528 PolarHBondContact OE1-NH2 2.78Å; E1458-R1528 IonicContact OE2-CZ 2.69Å; E1458-R1528 IonicContact OE2-NH1 2.65Å; E1458-R1528 IonicContact OE2-NH2 3.81Å; E1458-R1528 PolarHBondContact OE2-NH2 3.49Å | ||
| 1459 | I | 63.3 | Low | 53.8 | Low | 80 Ų | 80 | 57.9 Ų | 57.9 | 41% | 0.41 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.6 | 175.9 | -55.9 | 175.3 | 0 | 0 | 0 | 109.7 | E1425 N1461 S1476 T1477 | E1425-I1459 WeakPolarHBondContact O-CA 3.24Å; I1459-N1461 WeakPolarHBondContact CG2-OD1 3.46Å; I1459-S1476 WeakPolarHBondContact O-CA 3.16Å; I1459-T1477 PolarHBondContact O-N 2.78Å; I1459-T1477 VanDerWaalsContact O-N 3.13Å |
| 1460 | F | 68.9 | Low | 55.5 | Low | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.2 | 179 | -55.1 | -50.5 | 0 | 0 | 0 | 110.9 | N1410 T1423 L1428 I1474 I1496 | N1410-F1460 PolarHBondContact ND2-O 2.59Å; T1423-F1460 HydrophobicContact CG2-CB 3.83Å; T1423-F1460 HydrophobicContact CG2-CD2 4.19Å; T1423-F1460 HydrophobicContact CG2-CG 4.41Å; L1428-F1460 HydrophobicContact CB-CE2 4.33Å; F1460-I1474 HydrophobicContact CB-CG2 3.93Å; F1460-I1474 HydrophobicContact CD1-CG2 3.56Å; F1460-I1474 HydrophobicContact CE1-CG2 4.24Å; F1460-I1474 HydrophobicContact CG-CG2 3.81Å; F1460-I1496 HydrophobicContact CE1-CD1 4.35Å |
| 1461 | N | 67.9 | Low | 57.4 | Low | 59 Ų | 59 | 49.3 Ų | 49.3 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -27.3 | -170.1 | -82.4 | 27 | 0 | 0 | 0 | 114.5 | N1410 I1459 G1475 T1477 I1557 | N1410-N1461 PolarHBondContact ND2-O 2.82Å; N1410-N1461 PolarHBondContact OD1-O 3.13Å; I1459-N1461 WeakPolarHBondContact CG2-OD1 3.46Å; N1461-G1475 PolarHBondContact N-O 2.67Å; N1461-T1477 HydrophobicContact CB-CG2 4.45Å; N1461-T1477 WeakPolarHBondContact ND2-CG2 3.43Å; N1461-I1557 WeakPolarHBondContact ND2-CG2 3.48Å |
| 1462 | S | 69.8 | Low | 60 | Low | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150.7 | -178.6 | 64 | 0 | 0 | 0 | 0 | 110.4 | N1410 G1475 L1558 M1561 | N1410-S1462 WeakPolarHBondContact OD1-CA 3.5Å; S1462-G1475 PolarHBondContact O-N 2.92Å; S1462-L1558 VanDerWaalsContact OG-CD2 3.25Å; S1462-L1558 WeakPolarHBondContact OG-CD2 3.49Å; S1462-M1561 PolarHBondContact OG-SD 2.86Å |
| 1463 | I | 77.9 | Confident | 62.2 | Low | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 136.5 | -177.3 | -157.8 | 176.5 | 0 | 0 | 0 | 111 | N1410 I1412 T1423 L1428 L1472 V1473 I1474 | N1410-I1463 HydrophobicContact CB-CB 4.43Å; N1410-I1463 HydrophobicContact CB-CG2 3.76Å; I1412-I1463 HydrophobicContact CD1-CB 4.1Å; I1412-I1463 HydrophobicContact CD1-CD1 4.05Å; I1412-I1463 HydrophobicContact CD1-CG1 3.66Å; I1412-I1463 HydrophobicContact CD1-CG2 3.67Å; I1412-I1463 HydrophobicContact CG1-CG2 3.94Å; T1423-I1463 HydrophobicContact CG2-CD1 4.46Å; L1428-I1463 HydrophobicContact CD1-CD1 4.26Å; I1463-L1472 HydrophobicContact CD1-CD1 4.18Å; I1463-L1472 HydrophobicContact CD1-CD2 4.48Å; I1463-L1472 HydrophobicContact CG1-CD1 4.11Å; I1463-V1473 WeakPolarHBondContact CA-O 3.38Å; I1463-V1473 WeakPolarHBondContact CG1-O 3.32Å; I1463-I1474 HydrophobicContact CD1-CG1 4.14Å; I1463-I1474 HydrophobicContact CG1-CG1 4.05Å |
| 1464 | A | 76.1 | Confident | 64.6 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 123.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1473 M1561 F1563 | A1464-V1473 PolarHBondContact N-O 2.65Å; A1464-V1473 WeakPolarHBondContact O-CA 3.35Å; A1464-V1473 WeakPolarHBondContact O-CB 3.4Å; A1464-V1473 PolarHBondContact O-N 3.15Å; A1464-M1561 HydrophobicContact CB-CE 3.89Å; A1464-M1561 HydrophobicContact CB-CG 4.27Å; A1464-F1563 HydrophobicContact CB-CD2 3.93Å; A1464-F1563 HydrophobicContact CB-CE2 3.81Å |
| 1465 | L | 75.6 | Confident | 66.5 | Low | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 156.1 | 159.4 | -178.3 | 73.6 | 0 | 0 | 0 | 107.8 | I1412 K1469 L1472 I1500 F1563 R2016 | I1412-L1465 HydrophobicContact CD1-CB 4.13Å; I1412-L1465 VanDerWaalsContact CD1-N 3.32Å; I1412-L1465 HydrophobicContact CG2-CB 3.83Å; I1412-L1465 HydrophobicContact CG2-CD2 4.1Å; L1465-K1469 HydrophobicContact CD2-CG 4.27Å; L1465-L1472 HydrophobicContact CB-CD1 4.05Å; L1465-L1472 HydrophobicContact CD1-CB 4.26Å; L1465-L1472 HydrophobicContact CD1-CD1 4.35Å; L1465-I1500 HydrophobicContact CD1-CD1 3.57Å; L1465-F1563 WeakPolarHBondContact O-CD2 3.36Å; L1465-F1563 VanDerWaalsContact O-CE2 3.27Å; L1465-F1563 WeakPolarHBondContact O-CE2 3.47Å; L1465-R2016 PolarHBondContact O-NH1 3.42Å |
| 1466 | A | 67.2 | Low | 68 | Low | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -99.8 | 126.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | N1468 K1469 T1471 F1563 | A1466-N1468 CarbonylContact O-C 3.56Å; A1466-N1468 VanDerWaalsContact O-CA 3.23Å; A1466-N1468 WeakPolarHBondContact O-CA 3.44Å; A1466-N1468 PolarHBondContact O-N 2.76Å; A1466-K1469 PolarHBondContact O-N 3.36Å; A1466-T1471 PolarHBondContact N-O 2.74Å; A1466-F1563 HydrophobicContact CB-CD1 4.32Å; A1466-F1563 HydrophobicContact CB-CD2 4.2Å; A1466-F1563 HydrophobicContact CB-CE1 3.99Å; A1466-F1563 HydrophobicContact CB-CE2 3.86Å; A1466-F1563 HydrophobicContact CB-CG 4.4Å; A1466-F1563 HydrophobicContact CB-CZ 3.73Å | ||
| 1467 | P | 60.7 | Low | 69 | Low | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -2.8 | -153.3 | 3.2 | -2.9 | 0 | 0 | 0 | 110.5 | K1469 D1997 T1998 C1999 R2016 | P1467-K1469 PolarHBondContact O-N 3.27Å; P1467-D1997 WeakPolarHBondContact CG-O 3.45Å; P1467-T1998 VanDerWaalsContact CG-O 3.29Å; P1467-T1998 WeakPolarHBondContact CG-O 3.36Å; P1467-T1998 WeakPolarHBondContact CG-OG1 3.41Å; P1467-C1999 HydrophobicContact CB-CB 4.14Å; P1467-C1999 WeakPolarHBondContact CB-SG 2.91Å; P1467-R2016 HydrophobicContact CB-CB 2.3Å; P1467-R2016 HydrophobicContact CB-CG 2.28Å; P1467-R2016 HydrophobicContact CG-CB 2.27Å; P1467-R2016 HydrophobicContact CG-CG 2.3Å; P1467-R2016 VanDerWaalsContact N-CD 3.26Å; P1467-R2016 PolarHBondContact O-N 2.84Å |
| 1468 | N | 67.2 | Low | 68.8 | Low | 59 Ų | 59 | 19 Ų | 19 | 32% | 0.316 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -20.4 | -36.7 | 137.9 | 133.5 | -23.1 | 0 | 0 | 0 | 117.2 | A1466 S1470 S1567 E2015 P2019 | A1466-N1468 CarbonylContact O-C 3.56Å; A1466-N1468 VanDerWaalsContact O-CA 3.23Å; A1466-N1468 WeakPolarHBondContact O-CA 3.44Å; A1466-N1468 PolarHBondContact O-N 2.76Å; N1468-S1470 PolarHBondContact O-N 3.02Å; N1468-S1470 WeakPolarHBondContact OD1-CB 3.11Å; N1468-S1470 PolarHBondContact OD1-OG 3.36Å; N1468-S1567 WeakPolarHBondContact CA-OG 3.23Å; N1468-S1567 WeakPolarHBondContact CB-OG 3.31Å; N1468-S1567 VanDerWaalsContact CG-OG 3.24Å; N1468-S1567 PolarHBondContact N-OG 3.35Å; N1468-S1567 VanDerWaalsContact N-OG 3.09Å; N1468-S1567 PolarHBondContact OD1-OG 2.82Å; N1468-E2015 HydrophobicContact CB-CB 4.32Å; N1468-E2015 HydrophobicContact CB-CG 4.47Å; N1468-P2019 HydrophobicContact CB-CG 4.43Å |
| 1469 | K | 66.2 | Low | 68 | Low | 18 Ų | 18 | 26.8 Ų | 26.8 | 8% | 0.078 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 20.2 | -166.7 | -63.3 | 168.7 | -167.6 | -157.6 | 0 | 112.3 | D1414 D1416 T1417 L1465 A1466 P1467 I1500 F1502 E2013 | D1414-K1469 WeakPolarHBondContact OD1-CE 3.37Å; D1414-K1469 IonicContact OD1-NZ 2.67Å; D1414-K1469 PolarHBondContact OD1-NZ 2.76Å; D1414-K1469 WeakPolarHBondContact OD2-CD 3.34Å; D1414-K1469 IonicContact OD2-NZ 3.75Å; D1416-K1469 IonicContact OD2-NZ 3.67Å; D1416-K1469 PolarHBondContact OD2-NZ 2.98Å; T1417-K1469 HydrophobicContact CG2-CD 4.44Å; L1465-K1469 HydrophobicContact CD2-CG 4.27Å; A1466-K1469 PolarHBondContact O-N 3.36Å; P1467-K1469 PolarHBondContact O-N 3.27Å; K1469-I1500 WeakPolarHBondContact O-CB 3.49Å; K1469-F1502 HydrophobicContact CB-CE2 4.16Å; K1469-F1502 HydrophobicContact CB-CZ 4.34Å; K1469-E2013 VanDerWaalsContact CE-OE1 3.28Å; K1469-E2013 WeakPolarHBondContact CE-OE1 3.32Å; K1469-E2013 IonicContact NZ-OE1 2.7Å; K1469-E2013 PolarHBondContact NZ-OE1 2.92Å; K1469-E2013 IonicContact NZ-OE2 2.7Å |
| 1470 | S | 66.9 | Low | 66.7 | Low | 40 Ų | 40 | 27.7 Ų | 27.7 | 28% | 0.28 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -94.3 | -34.2 | -172.7 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | N1468 I1500 | N1468-S1470 PolarHBondContact O-N 3.02Å; N1468-S1470 WeakPolarHBondContact OD1-CB 3.11Å; N1468-S1470 PolarHBondContact OD1-OG 3.36Å; S1470-I1500 PolarHBondContact O-N 2.83Å |
| 1471 | T | 74.5 | Confident | 65 | Low | 21 Ų | 21 | 33.1 Ų | 33.1 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 129.8 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | A1466 | A1466-T1471 PolarHBondContact N-O 2.74Å |
| 1472 | L | 82.2 | Confident | 63.2 | Low | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.8 | 163.4 | -176.3 | 72.5 | 0 | 0 | 0 | 109.4 | I1412 I1421 I1463 L1465 I1474 T1497 V1498 | I1412-L1472 HydrophobicContact CD1-CD1 3.58Å; I1421-L1472 HydrophobicContact CD1-CD1 4.48Å; I1421-L1472 HydrophobicContact CD1-CD2 4.14Å; I1421-L1472 HydrophobicContact CG2-CD2 3.98Å; I1463-L1472 HydrophobicContact CD1-CD1 4.18Å; I1463-L1472 HydrophobicContact CD1-CD2 4.48Å; I1463-L1472 HydrophobicContact CG1-CD1 4.11Å; L1465-L1472 HydrophobicContact CB-CD1 4.05Å; L1465-L1472 HydrophobicContact CD1-CB 4.26Å; L1465-L1472 HydrophobicContact CD1-CD1 4.35Å; L1472-I1474 HydrophobicContact CD2-CD1 4.18Å; L1472-I1474 HydrophobicContact CD2-CG1 4.18Å; L1472-I1474 HydrophobicContact CG-CG1 4.28Å; L1472-T1497 WeakPolarHBondContact O-CA 3.22Å; L1472-V1498 HydrophobicContact CB-CB 4.43Å; L1472-V1498 PolarHBondContact N-O 2.98Å; L1472-V1498 PolarHBondContact O-N 2.88Å |
| 1473 | V | 77.7 | Confident | 61.6 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.9 | 174.7 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | I1463 A1464 F1495 I1496 T1497 M1561 F1563 W1589 | I1463-V1473 WeakPolarHBondContact CA-O 3.38Å; I1463-V1473 WeakPolarHBondContact CG1-O 3.32Å; A1464-V1473 PolarHBondContact N-O 2.65Å; A1464-V1473 WeakPolarHBondContact O-CA 3.35Å; A1464-V1473 WeakPolarHBondContact O-CB 3.4Å; A1464-V1473 PolarHBondContact O-N 3.15Å; V1473-F1495 HydrophobicContact CG1-CB 3.8Å; V1473-I1496 WeakPolarHBondContact CA-O 3.44Å; V1473-T1497 HydrophobicContact CG2-CG2 4.42Å; V1473-M1561 HydrophobicContact CB-CE 3.85Å; V1473-M1561 HydrophobicContact CG1-CE 3.63Å; V1473-F1563 HydrophobicContact CG2-CE2 4.48Å; V1473-F1563 HydrophobicContact CG2-CZ 4.25Å; V1473-W1589 HydrophobicContact CG2-CH2 3.66Å; V1473-W1589 HydrophobicContact CG2-CZ2 4.36Å; V1473-W1589 HydrophobicContact CG2-CZ3 4.39Å |
| 1474 | I | 77.8 | Confident | 59.4 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.8 | 179.2 | -46.7 | 172 | 0 | 0 | 0 | 108.3 | L1428 F1460 I1463 L1472 F1495 I1496 | L1428-I1474 HydrophobicContact CD1-CD1 4.1Å; L1428-I1474 HydrophobicContact CD2-CD1 3.71Å; F1460-I1474 HydrophobicContact CB-CG2 3.93Å; F1460-I1474 HydrophobicContact CD1-CG2 3.56Å; F1460-I1474 HydrophobicContact CE1-CG2 4.24Å; F1460-I1474 HydrophobicContact CG-CG2 3.81Å; I1463-I1474 HydrophobicContact CD1-CG1 4.14Å; I1463-I1474 HydrophobicContact CG1-CG1 4.05Å; L1472-I1474 HydrophobicContact CD2-CD1 4.18Å; L1472-I1474 HydrophobicContact CD2-CG1 4.18Å; L1472-I1474 HydrophobicContact CG-CG1 4.28Å; I1474-F1495 CarbonylContact O-C 3.56Å; I1474-F1495 WeakPolarHBondContact O-CA 3.34Å; I1474-I1496 HydrophobicContact CB-CB 4.5Å; I1474-I1496 PolarHBondContact N-O 3.21Å; I1474-I1496 PolarHBondContact O-N 2.86Å |
| 1475 | G | 71.5 | Confident | 57.3 | Low | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1461 S1462 | N1461-G1475 PolarHBondContact N-O 2.67Å; S1462-G1475 PolarHBondContact O-N 2.92Å |
| 1476 | S | 67.7 | Low | 55.2 | Low | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.4 | 176.7 | 80.8 | 0 | 0 | 0 | 0 | 113.4 | E1458 I1459 S1494 R1528 | E1458-S1476 WeakPolarHBondContact OE2-CB 3.03Å; E1458-S1476 PolarHBondContact OE2-OG 2.82Å; I1459-S1476 WeakPolarHBondContact O-CA 3.16Å; S1476-S1494 PolarHBondContact N-O 3.34Å; S1476-S1494 PolarHBondContact OG-OG 3.48Å; S1476-R1528 PolarHBondContact OG-NH2 2.92Å |
| 1477 | T | 59.8 | Low | 53.4 | Low | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115.3 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | I1459 N1461 I1557 | I1459-T1477 PolarHBondContact O-N 2.78Å; I1459-T1477 VanDerWaalsContact O-N 3.13Å; N1461-T1477 HydrophobicContact CB-CG2 4.45Å; N1461-T1477 WeakPolarHBondContact ND2-CG2 3.43Å; T1477-I1557 HydrophobicContact CG2-CG2 4.18Å |
| 1478 | N | 47.6 | Very low | 52.1 | Low | 22 Ų | 22 | 71.3 Ų | 71.3 | 12% | 0.118 | 39% | 0.385 | C | S | . | . | trans | -95.3 | 109.9 | -177 | -91.8 | 12.6 | 0 | 0 | 0 | 113.4 | E1458 W1480 R1528 | E1458-N1478 PolarHBondContact OE1-OD1 2.9Å; E1458-N1478 PolarHBondContact OE2-OD1 2.99Å; E1458-N1478 VanDerWaalsContact OE2-OD1 3.13Å; N1478-W1480 PolarHBondContact ND2-NE1 2.78Å; N1478-R1528 VanDerWaalsContact CG-NH2 3.32Å; N1478-R1528 PolarHBondContact ND2-NH2 3.38Å; N1478-R1528 PolarHBondContact OD1-NH2 2.91Å | ||
| 1479 | Y | 42.2 | Very low | 50.3 | Low | 183 Ų | 183 | 73.2 Ų | 73.2 | 72% | 0.718 | 40% | 0.402 | S | S | * | . | trans | -98.1 | 107 | 166.3 | -77.3 | -81.1 | 0 | 0 | 0 | 111.1 | ||||
| 1480 | W | 35.4 | Very low | 48.8 | Very low | 100 Ų | 100 | 76 Ų | 76 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | trans | -125.5 | 103.3 | 172.6 | -63.4 | 66.4 | 0 | 0 | 0 | 108.9 | L1381 L1384 N1478 F1482 | L1381-W1480 HydrophobicContact CD1-CH2 3.7Å; L1381-W1480 HydrophobicContact CD1-CZ2 4.3Å; L1381-W1480 HydrophobicContact CD1-CZ3 3.97Å; L1381-W1480 HydrophobicContact CD2-CZ2 4.34Å; L1381-W1480 HydrophobicContact CG-CH2 3.93Å; L1381-W1480 HydrophobicContact CG-CZ2 4.07Å; L1384-W1480 HydrophobicContact CD1-CH2 4.08Å; L1384-W1480 HydrophobicContact CD1-CZ2 3.87Å; N1478-W1480 PolarHBondContact ND2-NE1 2.78Å; W1480-F1482 VanDerWaalsContact C-N 3.32Å; W1480-F1482 HydrophobicContact CB-CD2 3.91Å; W1480-F1482 HydrophobicContact CB-CE2 3.94Å; W1480-F1482 HydrophobicContact CD2-CE2 4.11Å; W1480-F1482 HydrophobicContact CE3-CD2 4.47Å; W1480-F1482 AromaticContact CE3-CE2 3.39Å; W1480-F1482 HydrophobicContact CE3-CE2 3.39Å; W1480-F1482 AromaticContact CE3-CZ 3.58Å; W1480-F1482 HydrophobicContact CE3-CZ 3.58Å; W1480-F1482 HydrophobicContact CG-CE2 4.4Å; W1480-F1482 HydrophobicContact CZ3-CE2 4.16Å; W1480-F1482 HydrophobicContact CZ3-CZ 4.06Å; W1480-F1482 PolarHBondContact O-N 3.27Å | ||
| 1481 | D | 32.5 | Very low | 47.5 | Very low | 119 Ų | 119 | 77.5 Ų | 77.5 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | trans | -85.9 | 62.2 | -170.5 | -163.5 | 9 | 0 | 0 | 0 | 112.8 | N1483 | D1481-N1483 PolarHBondContact O-N 3Å; D1481-N1483 VanDerWaalsContact O-N 3.08Å; D1481-N1483 PolarHBondContact OD1-ND2 2.87Å | ||
| 1482 | F | 30.7 | Very low | 45.8 | Very low | 155 Ų | 155 | 78.9 Ų | 78.9 | 68% | 0.68 | 44% | 0.437 | S | S | * | . | trans | -80.8 | 81.5 | -174.5 | -77 | -57 | 0 | 0 | 0 | 114.1 | W1480 E1484 | W1480-F1482 VanDerWaalsContact C-N 3.32Å; W1480-F1482 HydrophobicContact CB-CD2 3.91Å; W1480-F1482 HydrophobicContact CB-CE2 3.94Å; W1480-F1482 HydrophobicContact CD2-CE2 4.11Å; W1480-F1482 HydrophobicContact CE3-CD2 4.47Å; W1480-F1482 AromaticContact CE3-CE2 3.39Å; W1480-F1482 HydrophobicContact CE3-CE2 3.39Å; W1480-F1482 AromaticContact CE3-CZ 3.58Å; W1480-F1482 HydrophobicContact CE3-CZ 3.58Å; W1480-F1482 HydrophobicContact CG-CE2 4.4Å; W1480-F1482 HydrophobicContact CZ3-CE2 4.16Å; W1480-F1482 HydrophobicContact CZ3-CZ 4.06Å; W1480-F1482 PolarHBondContact O-N 3.27Å; F1482-E1484 PolarHBondContact O-N 2.95Å | ||
| 1483 | N | 35.9 | Very low | 44.2 | Very low | 139 Ų | 139 | 80.8 Ų | 80.8 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | trans | -90.3 | 68.4 | 172.9 | -81.7 | -76.5 | 0 | 0 | 0 | 113.6 | D1481 | D1481-N1483 PolarHBondContact O-N 3Å; D1481-N1483 VanDerWaalsContact O-N 3.08Å; D1481-N1483 PolarHBondContact OD1-ND2 2.87Å | ||
| 1484 | E | 31.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 80.9 Ų | 80.9 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -150 | 77.5 | 169.8 | -128.9 | 178.5 | -112.1 | 0 | 0 | 114.3 | T1373 F1482 | T1373-E1484 WeakPolarHBondContact CA-OE1 3.38Å; T1373-E1484 WeakPolarHBondContact CG2-OE1 3.38Å; T1373-E1484 PolarHBondContact N-OE1 3.45Å; F1482-E1484 PolarHBondContact O-N 2.95Å |
| 1485 | G | 32.4 | Very low | 42.7 | Very low | 71 Ų | 71 | 81.6 Ų | 81.6 | 73% | 0.732 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 67.2 | 97.4 | 153 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 1486 | N | 30.8 | Very low | 42.7 | Very low | 176 Ų | 176 | 82.1 Ų | 82.1 | 94% | 0.941 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 65.3 | 41.9 | 158.7 | -64.2 | 0.9 | 0 | 0 | 0 | 118.1 | ||
| 1487 | A | 29.3 | Very low | 43 | Very low | 87 Ų | 87 | 82.4 Ų | 82.4 | 72% | 0.719 | 46% | 0.458 | S | S | * | . | trans | -130.9 | 118.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1489 | A1487-C1489 PolarHBondContact O-N 2.85Š| ||
| 1488 | N | 34.8 | Very low | 43.5 | Very low | 154 Ų | 154 | 81 Ų | 81 | 82% | 0.824 | 45% | 0.449 | S | S | * | . | trans | -80.9 | 77.1 | -175.6 | -70 | 3.7 | 0 | 0 | 0 | 111.9 | ||||
| 1489 | C | 29.1 | Very low | 44.2 | Very low | 99 Ų | 99 | 81.9 Ų | 81.9 | 67% | 0.669 | 46% | 0.456 | S | S | * | . | trans | -121.9 | 75.1 | 172.3 | -71.3 | 0 | 0 | 0 | 0 | 111 | A1487 | A1487-C1489 PolarHBondContact O-N 2.85Š| ||
| 1490 | T | 35 | Very low | 45 | Very low | 78 Ų | 78 | 74 Ų | 74 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | trans | -95.6 | 127.1 | 174.6 | 52.2 | 0 | 0 | 0 | 0 | 111 | Y1555 | T1490-Y1555 VanDerWaalsContact OG1-CE2 3.29Å; T1490-Y1555 WeakPolarHBondContact OG1-CE2 3.46Å; T1490-Y1555 PolarHBondContact OG1-OH 3.24Å; T1490-Y1555 VanDerWaalsContact OG1-OH 3.08Å | ||
| 1491 | S | 38.3 | Very low | 45.6 | Very low | 71 Ų | 71 | 74.8 Ų | 74.8 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | trans | 34 | 87.6 | 157.7 | 56.4 | 0 | 0 | 0 | 0 | 116.5 | Y1555 | S1491-Y1555 WeakPolarHBondContact OG-CD2 3.39Š| ||
| 1492 | I | 39.7 | Very low | 46.2 | Very low | 49 Ų | 49 | 73.3 Ų | 73.3 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | trans | -101.1 | 119.1 | 172.4 | -57.4 | 177.2 | 0 | 0 | 0 | 108.5 | S1494 L1530 L1531 | I1492-S1494 PolarHBondContact O-N 3.08Å; I1492-L1530 HydrophobicContact CB-CD2 4.31Å; I1492-L1530 HydrophobicContact CG2-CB 4.49Å; I1492-L1530 HydrophobicContact CG2-CD2 3.83Å; I1492-L1531 HydrophobicContact CG2-CB 4.08Å | ||
| 1493 | S | 48.7 | Very low | 46.6 | Very low | 43 Ų | 43 | 70.4 Ų | 70.4 | 30% | 0.301 | 41% | 0.412 | S | S | . | . | trans | -63.4 | 124 | 163.4 | 50.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 1494 | S | 55.5 | Low | 46.6 | Very low | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.2 | -174.9 | 76.7 | 0 | 0 | 0 | 0 | 111.7 | S1476 I1492 R1528 | S1476-S1494 PolarHBondContact N-O 3.34Å; S1476-S1494 PolarHBondContact OG-OG 3.48Å; I1492-S1494 PolarHBondContact O-N 3.08Å; S1494-R1528 PolarHBondContact OG-NE 3.29Å; S1494-R1528 VanDerWaalsContact OG-NE 3.1Å; S1494-R1528 PolarHBondContact OG-NH2 3.06Å |
| 1495 | F | 67.5 | Low | 46.8 | Very low | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 172.9 | -22.4 | -64 | 0 | 0 | 0 | 109 | V1473 I1474 F1529 L1558 T1572 W1584 | V1473-F1495 HydrophobicContact CG1-CB 3.8Å; I1474-F1495 CarbonylContact O-C 3.56Å; I1474-F1495 WeakPolarHBondContact O-CA 3.34Å; F1495-F1529 PolarHBondContact O-N 3.45Å; F1495-L1558 HydrophobicContact CD1-CD2 4.12Å; F1495-L1558 HydrophobicContact CE1-CD2 4Å; F1495-T1572 HydrophobicContact CE1-CG2 4.41Å; F1495-T1572 HydrophobicContact CZ-CG2 4.4Å; F1495-W1584 HydrophobicContact CE2-CD2 4.39Å; F1495-W1584 AromaticContact CE2-CE2 3.91Å; F1495-W1584 HydrophobicContact CE2-CE3 4.44Å; F1495-W1584 AromaticContact CE2-CH2 3.61Å; F1495-W1584 HydrophobicContact CE2-CH2 3.61Å; F1495-W1584 AromaticContact CE2-CZ2 3.52Å; F1495-W1584 HydrophobicContact CE2-CZ2 3.52Å; F1495-W1584 HydrophobicContact CE2-CZ3 4.07Å; F1495-W1584 HydrophobicContact CZ-CH2 4.01Å; F1495-W1584 AromaticContact CZ-CZ2 3.56Å; F1495-W1584 HydrophobicContact CZ-CZ2 3.56Å |
| 1496 | I | 71.4 | Confident | 46.9 | Very low | 14 Ų | 14 | 75.1 Ų | 75.1 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 121.3 | 173.8 | -56.7 | 174.1 | 0 | 0 | 0 | 106.9 | F1460 V1473 I1474 V1498 R1528 | F1460-I1496 HydrophobicContact CE1-CD1 4.35Å; V1473-I1496 WeakPolarHBondContact CA-O 3.44Å; I1474-I1496 HydrophobicContact CB-CB 4.5Å; I1474-I1496 PolarHBondContact N-O 3.21Å; I1474-I1496 PolarHBondContact O-N 2.86Å; I1496-V1498 HydrophobicContact CG2-CG2 4.36Å; I1496-R1528 HydrophobicContact CG1-CG 4.34Å |
| 1497 | T | 74.3 | Confident | 47 | Very low | 10 Ų | 10 | 69.9 Ų | 69.9 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.2 | 175.4 | 62 | 0 | 0 | 0 | 0 | 109.8 | L1472 V1473 S1526 K1527 F1529 W1589 | L1472-T1497 WeakPolarHBondContact O-CA 3.22Å; V1473-T1497 HydrophobicContact CG2-CG2 4.42Å; T1497-S1526 CarbonylContact O-C 3.31Å; T1497-S1526 WeakPolarHBondContact O-CA 3.49Å; T1497-K1527 PolarHBondContact N-O 2.86Å; T1497-K1527 PolarHBondContact O-N 3.08Å; T1497-K1527 PolarHBondContact OG1-O 2.88Å; T1497-F1529 HydrophobicContact CG2-CD2 3.87Å; T1497-F1529 HydrophobicContact CG2-CE2 3.87Å; T1497-F1529 WeakPolarHBondContact OG1-CE2 3.46Å; T1497-W1589 HydrophobicContact CG2-CD2 4.32Å; T1497-W1589 HydrophobicContact CG2-CH2 4.24Å; T1497-W1589 HydrophobicContact CG2-CZ2 3.92Å |
| 1498 | V | 71.2 | Confident | 47.2 | Very low | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.012 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.5 | 176.4 | -168.6 | 0 | 0 | 0 | 0 | 108.5 | L1472 I1496 L1521 | L1472-V1498 HydrophobicContact CB-CB 4.43Å; L1472-V1498 PolarHBondContact N-O 2.98Å; L1472-V1498 PolarHBondContact O-N 2.88Å; I1496-V1498 HydrophobicContact CG2-CG2 4.36Å; V1498-L1521 HydrophobicContact CG1-CD2 3.55Å |
| 1499 | P | 61.6 | Low | 47.1 | Very low | 40 Ų | 40 | 77.8 Ų | 77.8 | 26% | 0.26 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.5 | 178.8 | 31.3 | -32.8 | 0 | 0 | 0 | 110.6 | Q1525 | P1499-Q1525 HydrophobicContact CG-CB 3.9Å |
| 1500 | I | 59.9 | Low | 47.4 | Very low | 18 Ų | 18 | 82 Ų | 82 | 9% | 0.092 | 43% | 0.432 | C | S | . | . | trans | -95.4 | 137.7 | 176.4 | -55.2 | 179.1 | 0 | 0 | 0 | 108.1 | L1465 K1469 S1470 F1502 L1521 | L1465-I1500 HydrophobicContact CD1-CD1 3.57Å; K1469-I1500 WeakPolarHBondContact O-CB 3.49Å; S1470-I1500 PolarHBondContact O-N 2.83Å; I1500-F1502 HydrophobicContact CG2-CE2 3.79Å; I1500-F1502 HydrophobicContact CG2-CZ 3.83Å; I1500-L1521 HydrophobicContact CD1-CD1 4.42Å; I1500-L1521 HydrophobicContact CG1-CD1 4.32Å; I1500-L1521 HydrophobicContact CG1-CG 4.35Å | ||
| 1501 | K | 47.9 | Very low | 47.3 | Very low | 116 Ų | 116 | 83 Ų | 83 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | trans | -134.1 | 112.1 | -179.2 | -79.1 | 178.6 | 177.3 | 164.5 | 0 | 111.2 | ||||
| 1502 | F | 44.4 | Very low | 47 | Very low | 89 Ų | 89 | 86.7 Ų | 86.7 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | trans | -79.3 | 130.6 | 167.9 | -57.2 | -83.4 | 0 | 0 | 0 | 109.2 | T1417 K1469 I1500 V1504 P1519 | T1417-F1502 HydrophobicContact CG2-CE1 3.6Å; T1417-F1502 HydrophobicContact CG2-CZ 3.77Å; K1469-F1502 HydrophobicContact CB-CE2 4.16Å; K1469-F1502 HydrophobicContact CB-CZ 4.34Å; I1500-F1502 HydrophobicContact CG2-CE2 3.79Å; I1500-F1502 HydrophobicContact CG2-CZ 3.83Å; F1502-V1504 PolarHBondContact O-N 2.98Å; F1502-P1519 HydrophobicContact CD1-CB 3.75Å; F1502-P1519 HydrophobicContact CD1-CG 4.49Å; F1502-P1519 HydrophobicContact CE1-CB 3.82Å; F1502-P1519 HydrophobicContact CE1-CG 4.35Å | ||
| 1503 | N | 39.1 | Very low | 46.7 | Very low | 93 Ų | 93 | 90.3 Ų | 90.3 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | trans | -78.5 | 90.7 | -179.7 | -79.5 | -34.7 | 0 | 0 | 0 | 110.2 | H1505 | N1503-H1505 PolarHBondContact O-N 3.07Å; N1503-H1505 VanDerWaalsContact O-N 3.16Å | ||
| 1504 | V | 36.1 | Very low | 45.8 | Very low | 120 Ų | 120 | 95.4 Ų | 95.4 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | trans | -64.7 | 114.5 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | F1502 N1506 | F1502-V1504 PolarHBondContact O-N 2.98Å; V1504-N1506 VanDerWaalsContact C-N 3.35Å; V1504-N1506 PolarHBondContact O-N 2.89Å | ||
| 1505 | H | 35.1 | Very low | 44.7 | Very low | 152 Ų | 152 | 100.4 Ų | 100.4 | 70% | 0.704 | 53% | 0.527 | S | S | * | . | trans | -70.6 | 85.2 | 178.8 | -93 | -79.8 | 0 | 0 | 0 | 111.4 | N1503 G1507 | N1503-H1505 PolarHBondContact O-N 3.07Å; N1503-H1505 VanDerWaalsContact O-N 3.16Å; H1505-G1507 PolarHBondContact O-N 2.75Å | ||
| 1506 | N | 35.3 | Very low | 43 | Very low | 150 Ų | 150 | 103.3 Ų | 103.3 | 80% | 0.802 | 55% | 0.55 | S | S | * | . | trans | -65.1 | 94 | 168.4 | -77.1 | -13 | 0 | 0 | 0 | 110 | V1504 N1508 | V1504-N1506 VanDerWaalsContact C-N 3.35Å; V1504-N1506 PolarHBondContact O-N 2.89Å; N1506-N1508 PolarHBondContact O-N 2.65Å; N1506-N1508 VanDerWaalsContact O-N 3.14Å | ||
| 1507 | G | 32.6 | Very low | 41.2 | Very low | 66 Ų | 66 | 105.6 Ų | 105.6 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | trans | -66.7 | 108.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1505 | H1505-G1507 PolarHBondContact O-N 2.75Š| ||
| 1508 | N | 34.1 | Very low | 39.4 | Very low | 159 Ų | 159 | 109.2 Ų | 109.2 | 85% | 0.85 | 59% | 0.586 | S | S | * | * | trans | -174.7 | 56.6 | 150 | -97.5 | -38.5 | 0 | 0 | 0 | 112.9 | N1506 | N1506-N1508 PolarHBondContact O-N 2.65Å; N1506-N1508 VanDerWaalsContact O-N 3.14Å | ||
| 1509 | R | 32.1 | Very low | 37.8 | Very low | 248 Ų | 248 | 111 Ų | 111 | 94% | 0.936 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -162.8 | 150.1 | 155.5 | -99.1 | 136.6 | -159.9 | -138.2 | 2.7 | 109.2 | ||
| 1510 | Q | 35.1 | Very low | 36.8 | Very low | 187 Ų | 187 | 112.3 Ų | 112.3 | 87% | 0.874 | 61% | 0.605 | S | S | * | * | trans | -77.3 | 141.8 | -164.9 | -71.6 | 170.6 | -40.8 | 0 | 0 | 113 | ||||
| 1511 | P | 33.9 | Very low | 36.3 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 65% | 0.649 | 61% | 0.607 | S | S | * | * | trans | -94.6 | 102.5 | -172.9 | 35.2 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 1512 | N | 32.3 | Very low | 36.2 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | trans | -106.4 | 135.4 | 164.1 | -71.1 | -9.7 | 0 | 0 | 0 | 109 | ||||
| 1513 | H | 31.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 109.4 Ų | 109.4 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | trans | 64.9 | 74.8 | -173.1 | -59.1 | -76.7 | 0 | 0 | 0 | 115.5 | H294 S1515 | H294-H1513 AromaticContact CD2-CD2 3.44Å; H294-H1513 PolarHBondContact CD2-CD2 2.84Å; H294-H1513 VanDerWaalsContact CD2-CD2 3.44Å; H294-H1513 AromaticContact CD2-NE2 3.5Å; H294-H1513 AromaticContact CE1-CD2 3.63Å; H294-H1513 AromaticContact CE1-CE1 3.98Å; H294-H1513 AromaticContact CE1-CG 3.48Å; H294-H1513 VanDerWaalsContact CE1-CG 3.48Å; H294-H1513 AromaticContact CE1-ND1 3.72Å; H294-H1513 AromaticContact CE1-NE2 3.97Å; H294-H1513 AromaticContact CG-CD2 3.98Å; H294-H1513 AromaticContact CG-CE1 3.92Å; H294-H1513 AromaticContact CG-NE2 3.65Å; H294-H1513 AromaticContact ND1-CE1 3.81Å; H294-H1513 AromaticContact ND1-ND1 3.91Å; H294-H1513 AromaticContact ND1-NE2 3.93Å; H294-H1513 AromaticContact NE2-CD2 3.21Å; H294-H1513 PolarHBondContact NE2-CD2 2.62Å; H294-H1513 AromaticContact NE2-CG 3.49Å; H294-H1513 AromaticContact NE2-NE2 3.73Å; H1513-S1515 PolarHBondContact O-N 2.9Å | ||
| 1514 | L | 30.3 | Very low | 37 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -69.2 | 75.6 | 164 | -78.7 | 155.8 | 0 | 0 | 0 | 111.3 | ||||
| 1515 | S | 32 | Very low | 37.7 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | trans | -81.2 | 110.3 | 148.6 | 53.2 | 0 | 0 | 0 | 0 | 107.2 | H1513 A1517 | H1513-S1515 PolarHBondContact O-N 2.9Å; S1515-A1517 PolarHBondContact O-N 3.07Å | ||
| 1516 | S | 32.6 | Very low | 38.7 | Very low | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | trans | -34.5 | 117.3 | -174.2 | 44.8 | 0 | 0 | 0 | 0 | 115.3 | F1518 | S1516-F1518 VanDerWaalsContact C-N 3.31Å; S1516-F1518 PolarHBondContact O-N 3.26Å; S1516-F1518 WeakPolarHBondContact OG-CD2 3.25Å; S1516-F1518 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 1517 | A | 34 | Very low | 39.5 | Very low | 61 Ų | 61 | 103.4 Ų | 103.4 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | trans | -84.2 | 62.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1515 | S1515-A1517 PolarHBondContact O-N 3.07Š| ||
| 1518 | F | 35.2 | Very low | 40.8 | Very low | 86 Ų | 86 | 103 Ų | 103 | 38% | 0.377 | 53% | 0.533 | S | S | . | . | trans | -64.4 | 162.2 | 179.2 | -71.8 | -58 | 0 | 0 | 0 | 114.2 | T1435 S1516 T1520 | T1435-F1518 HydrophobicContact CG2-CE2 4.43Å; S1516-F1518 VanDerWaalsContact C-N 3.31Å; S1516-F1518 PolarHBondContact O-N 3.26Å; S1516-F1518 WeakPolarHBondContact OG-CD2 3.25Å; S1516-F1518 WeakPolarHBondContact OG-CE2 3.37Å; F1518-T1520 PolarHBondContact O-N 3.08Å; F1518-T1520 VanDerWaalsContact O-N 3.11Å | ||
| 1519 | P | 37.7 | Very low | 41.9 | Very low | 41 Ų | 41 | 98.8 Ų | 98.8 | 27% | 0.266 | 51% | 0.507 | S | S | . | . | trans | -61.7 | 109.9 | 179.5 | 23.9 | -34.7 | 0 | 0 | 0 | 112.7 | F1502 L1521 | F1502-P1519 HydrophobicContact CD1-CB 3.75Å; F1502-P1519 HydrophobicContact CD1-CG 4.49Å; F1502-P1519 HydrophobicContact CE1-CB 3.82Å; F1502-P1519 HydrophobicContact CE1-CG 4.35Å; P1519-L1521 PolarHBondContact O-N 3.04Å | ||
| 1520 | T | 42.2 | Very low | 42.6 | Very low | 67 Ų | 67 | 89.8 Ų | 89.8 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | trans | -92.8 | 105.1 | -177 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | F1518 K1522 | F1518-T1520 PolarHBondContact O-N 3.08Å; F1518-T1520 VanDerWaalsContact O-N 3.11Å; T1520-K1522 PolarHBondContact O-N 3.42Å | ||
| 1521 | L | 47.9 | Very low | 43.3 | Very low | 26 Ų | 26 | 85.9 Ų | 85.9 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | trans | -76 | 85.5 | -178.4 | -149.9 | 158.2 | 0 | 0 | 0 | 110.8 | I1419 I1430 V1498 I1500 P1519 C1523 | I1419-L1521 HydrophobicContact CG2-CD1 4.37Å; I1430-L1521 HydrophobicContact CD1-CD1 4.19Å; I1430-L1521 HydrophobicContact CD1-CD2 4.46Å; V1498-L1521 HydrophobicContact CG1-CD2 3.55Å; I1500-L1521 HydrophobicContact CD1-CD1 4.42Å; I1500-L1521 HydrophobicContact CG1-CD1 4.32Å; I1500-L1521 HydrophobicContact CG1-CG 4.35Å; P1519-L1521 PolarHBondContact O-N 3.04Å; L1521-C1523 PolarHBondContact O-N 3.38Å | ||
| 1522 | K | 47.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 85.1 Ų | 85.1 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | trans | -75.6 | 80.8 | -173.8 | -69.6 | -174.6 | 179.3 | -176.9 | 0 | 112.8 | T1520 D1524 Q1525 | T1520-K1522 PolarHBondContact O-N 3.42Å; K1522-D1524 PolarHBondContact O-N 2.66Å; K1522-Q1525 PolarHBondContact O-N 2.83Å | ||
| 1523 | C | 51.5 | Low | 43.7 | Very low | 12 Ų | 12 | 82.9 Ų | 82.9 | 8% | 0.081 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -51.4 | -23 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | Y1441 L1521 Q1525 S1526 | Y1441-C1523 HydrophobicContact CE1-CB 4.24Å; L1521-C1523 PolarHBondContact O-N 3.38Å; C1523-Q1525 PolarHBondContact O-N 3.45Å; C1523-S1526 WeakPolarHBondContact O-CB 3.28Å; C1523-S1526 PolarHBondContact O-N 3.04Å; C1523-S1526 PolarHBondContact O-OG 3.47Å |
| 1524 | D | 46.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 83.4 Ų | 83.4 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -51.8 | -23 | 169.2 | -91.8 | -46.1 | 0 | 0 | 0 | 115.1 | K1385 K1522 | K1385-D1524 IonicContact NZ-OD1 3.44Å; K1385-D1524 PolarHBondContact NZ-OD1 2.58Å; K1522-D1524 PolarHBondContact O-N 2.66Å |
| 1525 | Q | 51.2 | Low | 43.7 | Very low | 97 Ų | 97 | 81.3 Ų | 81.3 | 45% | 0.453 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -101.1 | 13.4 | 179.2 | -56.4 | -158.9 | -26.6 | 0 | 0 | 113.7 | P1499 K1522 C1523 K1527 | P1499-Q1525 HydrophobicContact CG-CB 3.9Å; K1522-Q1525 PolarHBondContact O-N 2.83Å; C1523-Q1525 PolarHBondContact O-N 3.45Å; Q1525-K1527 PolarHBondContact O-N 3.25Å |
| 1526 | S | 56.6 | Low | 43.8 | Very low | 31 Ų | 31 | 81 Ų | 81 | 22% | 0.217 | 45% | 0.445 | C | S | . | . | trans | -59.7 | 132 | 176.7 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | T1497 C1523 | T1497-S1526 CarbonylContact O-C 3.31Å; T1497-S1526 WeakPolarHBondContact O-CA 3.49Å; C1523-S1526 WeakPolarHBondContact O-CB 3.28Å; C1523-S1526 PolarHBondContact O-N 3.04Å; C1523-S1526 PolarHBondContact O-OG 3.47Å | ||
| 1527 | K | 52.1 | Low | 43.7 | Very low | 142 Ų | 142 | 80.9 Ų | 80.9 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.4 | 174.2 | -71.2 | -176.5 | 179 | -179.3 | 0 | 110.5 | T1497 Q1525 F1529 | T1497-K1527 PolarHBondContact N-O 2.86Å; T1497-K1527 PolarHBondContact O-N 3.08Å; T1497-K1527 PolarHBondContact OG1-O 2.88Å; Q1525-K1527 PolarHBondContact O-N 3.25Å; K1527-F1529 HydrophobicContact CB-CE2 4.21Å |
| 1528 | R | 60.8 | Low | 43.8 | Very low | 58 Ų | 58 | 83.1 Ų | 83.1 | 22% | 0.219 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.3 | 175.5 | -169 | 175.6 | -162.5 | 145.8 | 10.4 | 109.8 | E1458 S1476 N1478 S1494 I1496 L1530 | E1458-R1528 IonicContact OE1-CZ 4Å; E1458-R1528 IonicContact OE1-NH1 2.98Å; E1458-R1528 PolarHBondContact OE1-NH1 3.13Å; E1458-R1528 IonicContact OE1-NH2 3.89Å; E1458-R1528 PolarHBondContact OE1-NH2 2.78Å; E1458-R1528 IonicContact OE2-CZ 2.69Å; E1458-R1528 IonicContact OE2-NH1 2.65Å; E1458-R1528 IonicContact OE2-NH2 3.81Å; E1458-R1528 PolarHBondContact OE2-NH2 3.49Å; S1476-R1528 PolarHBondContact OG-NH2 2.92Å; N1478-R1528 VanDerWaalsContact CG-NH2 3.32Å; N1478-R1528 PolarHBondContact ND2-NH2 3.38Å; N1478-R1528 PolarHBondContact OD1-NH2 2.91Å; S1494-R1528 PolarHBondContact OG-NE 3.29Å; S1494-R1528 VanDerWaalsContact OG-NE 3.1Å; S1494-R1528 PolarHBondContact OG-NH2 3.06Å; I1496-R1528 HydrophobicContact CG1-CG 4.34Å; R1528-L1530 HydrophobicContact CG-CG 4.49Å |
| 1529 | F | 55.9 | Low | 43.7 | Very low | 70 Ų | 70 | 87.9 Ų | 87.9 | 31% | 0.307 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.6 | 173.7 | -69.5 | -83.2 | 0 | 0 | 0 | 110.3 | F1495 T1497 K1527 W1589 | F1495-F1529 PolarHBondContact O-N 3.45Å; T1497-F1529 HydrophobicContact CG2-CD2 3.87Å; T1497-F1529 HydrophobicContact CG2-CE2 3.87Å; T1497-F1529 WeakPolarHBondContact OG1-CE2 3.46Å; K1527-F1529 HydrophobicContact CB-CE2 4.21Å; F1529-W1589 HydrophobicContact CD1-CB 4.09Å; F1529-W1589 HydrophobicContact CD2-CB 4.37Å; F1529-W1589 HydrophobicContact CD2-CG 4.27Å; F1529-W1589 HydrophobicContact CE1-CB 3.65Å; F1529-W1589 HydrophobicContact CE1-CG 4.22Å; F1529-W1589 HydrophobicContact CE2-CB 3.96Å; F1529-W1589 AromaticContact CE2-CD1 3.71Å; F1529-W1589 HydrophobicContact CE2-CD2 4.22Å; F1529-W1589 AromaticContact CE2-CG 3.65Å; F1529-W1589 HydrophobicContact CE2-CG 3.65Å; F1529-W1589 HydrophobicContact CG-CB 4.43Å; F1529-W1589 HydrophobicContact CZ-CB 3.57Å; F1529-W1589 AromaticContact CZ-CD1 3.57Å; F1529-W1589 AromaticContact CZ-CG 3.62Å; F1529-W1589 HydrophobicContact CZ-CG 3.62Å |
| 1530 | L | 47.6 | Very low | 43.6 | Very low | 60 Ų | 60 | 95 Ų | 95 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | trans | -124.6 | 140 | -178.4 | -70.8 | 167.2 | 0 | 0 | 0 | 109.2 | I1492 R1528 S1532 | I1492-L1530 HydrophobicContact CB-CD2 4.31Å; I1492-L1530 HydrophobicContact CG2-CB 4.49Å; I1492-L1530 HydrophobicContact CG2-CD2 3.83Å; R1528-L1530 HydrophobicContact CG-CG 4.49Å; L1530-S1532 PolarHBondContact O-N 3.01Å; L1530-S1532 VanDerWaalsContact O-N 3.1Å | ||
| 1531 | L | 48.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 97.4 Ų | 97.4 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | trans | -70.8 | 104.6 | 178.4 | -170.6 | 72.4 | 0 | 0 | 0 | 110.5 | I1492 T1533 | I1492-L1531 HydrophobicContact CG2-CB 4.08Å; L1531-T1533 PolarHBondContact O-N 3.1Å; L1531-T1533 VanDerWaalsContact O-N 3.13Å | ||
| 1532 | S | 36.8 | Very low | 42.3 | Very low | 83 Ų | 83 | 102.1 Ų | 102.1 | 58% | 0.58 | 53% | 0.533 | S | S | * | . | trans | -72.6 | 104.8 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | L1530 N1534 | L1530-S1532 PolarHBondContact O-N 3.01Å; L1530-S1532 VanDerWaalsContact O-N 3.1Å; S1532-N1534 PolarHBondContact O-N 2.98Å | ||
| 1533 | T | 38.8 | Very low | 41.5 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -1.7 | 177 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | L1531 | L1531-T1533 PolarHBondContact O-N 3.1Å; L1531-T1533 VanDerWaalsContact O-N 3.13Å |
| 1534 | N | 29.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 72% | 0.722 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 17.9 | -167.8 | -72.3 | -18.7 | 0 | 0 | 0 | 114.8 | S1532 S1536 | S1532-N1534 PolarHBondContact O-N 2.98Å; N1534-S1536 PolarHBondContact O-N 3.42Å |
| 1535 | N | 33.2 | Very low | 39.7 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 57% | 0.572 | 58% | 0.577 | S | S | * | * | trans | -69.1 | 91.3 | 171.9 | -84.1 | -12.7 | 0 | 0 | 0 | 111.3 | S1537 I1538 | N1535-S1537 PolarHBondContact O-N 3.2Å; N1535-S1537 VanDerWaalsContact O-N 3.07Å; N1535-I1538 PolarHBondContact O-N 3.2Å | ||
| 1536 | S | 32.8 | Very low | 38.6 | Very low | 99 Ų | 99 | 108.5 Ų | 108.5 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -15.3 | -178.4 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | N1534 I1538 K1539 | N1534-S1536 PolarHBondContact O-N 3.42Å; S1536-I1538 VanDerWaalsContact C-N 3.31Å; S1536-I1538 PolarHBondContact O-N 3.47Å; S1536-K1539 PolarHBondContact O-N 3.04Å |
| 1537 | S | 31.8 | Very low | 37.1 | Very low | 76 Ų | 76 | 112.9 Ų | 112.9 | 53% | 0.531 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.1 | -39.8 | 172.9 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | N1535 K1539 K1540 | N1535-S1537 PolarHBondContact O-N 3.2Å; N1535-S1537 VanDerWaalsContact O-N 3.07Å; S1537-K1539 VanDerWaalsContact C-N 3.26Å; S1537-K1539 PolarHBondContact O-N 3.41Å; S1537-K1540 PolarHBondContact O-N 2.9Å |
| 1538 | I | 35.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 114.3 Ų | 114.3 | 55% | 0.554 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64.8 | -32.9 | -177.9 | -59.6 | 176.5 | 0 | 0 | 0 | 111 | N1535 S1536 K1540 V1541 I1542 | N1535-I1538 PolarHBondContact O-N 3.2Å; S1536-I1538 VanDerWaalsContact C-N 3.31Å; S1536-I1538 PolarHBondContact O-N 3.47Å; I1538-K1540 PolarHBondContact O-N 3.04Å; I1538-K1540 VanDerWaalsContact O-N 3.17Å; I1538-V1541 PolarHBondContact O-N 2.68Å; I1538-V1541 VanDerWaalsContact O-N 3.08Å; I1538-I1542 HydrophobicContact CG2-CD1 4.39Å |
| 1539 | K | 32.2 | Very low | 34 | Very low | 185 Ų | 185 | 119.6 Ų | 119.6 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -67.9 | -8.5 | 174.9 | -88.5 | -168.8 | 174 | -175.9 | 0 | 114.9 | S1536 S1537 | S1536-K1539 PolarHBondContact O-N 3.04Å; S1537-K1539 VanDerWaalsContact C-N 3.26Å; S1537-K1539 PolarHBondContact O-N 3.41Å |
| 1540 | K | 35.4 | Very low | 32.7 | Very low | 192 Ų | 192 | 122.2 Ų | 122.2 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -96 | -6.1 | 170.9 | -85.5 | -166.6 | 173 | -172.1 | 0 | 114.1 | S1537 I1538 | S1537-K1540 PolarHBondContact O-N 2.9Å; I1538-K1540 PolarHBondContact O-N 3.04Å; I1538-K1540 VanDerWaalsContact O-N 3.17Å |
| 1541 | V | 34 | Very low | 31.6 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -18.7 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | I1538 D1543 | I1538-V1541 PolarHBondContact O-N 2.68Å; I1538-V1541 VanDerWaalsContact O-N 3.08Å; V1541-D1543 PolarHBondContact O-N 2.99Å |
| 1542 | I | 29.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 64% | 0.641 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -93 | 85.8 | 175.7 | -52.5 | 174.9 | 0 | 0 | 0 | 108.6 | I1538 | I1538-I1542 HydrophobicContact CG2-CD1 4.39Š|
| 1543 | D | 30 | Very low | 30.4 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -59.6 | 144.2 | 168.2 | -90.8 | -39.9 | 0 | 0 | 0 | 110.8 | V1541 D1545 | V1541-D1543 PolarHBondContact O-N 2.99Å; D1543-D1545 VanDerWaalsContact C-N 3.27Å; D1543-D1545 PolarHBondContact O-N 3.16Å; D1543-D1545 VanDerWaalsContact O-N 3.08Å | ||
| 1544 | S | 30.3 | Very low | 30.3 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -72 | -7.7 | -156.4 | 45.5 | 0 | 0 | 0 | 0 | 117 | V1547 | S1544-V1547 WeakPolarHBondContact O-CG2 3.43Š|
| 1545 | D | 31.7 | Very low | 31 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 81% | 0.807 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -104.5 | 12.1 | -152.5 | -71 | 24.7 | 0 | 0 | 0 | 114.1 | D1543 | D1543-D1545 VanDerWaalsContact C-N 3.27Å; D1543-D1545 PolarHBondContact O-N 3.16Å; D1543-D1545 VanDerWaalsContact O-N 3.08Å |
| 1546 | S | 27.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -127.1 | 31.8 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | M1548 | S1546-M1548 PolarHBondContact O-N 3.1Š|
| 1547 | V | 24.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | trans | -70.4 | 90.3 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | S1544 | S1544-V1547 WeakPolarHBondContact O-CG2 3.43Š| ||
| 1548 | M | 23.6 | Very low | 34.8 | Very low | 171 Ų | 171 | 115.5 Ų | 115.5 | 84% | 0.842 | 62% | 0.619 | S | S | * | * | trans | -106.2 | 137.2 | 159.6 | -90.1 | -72.9 | 173.1 | 0 | 0 | 110.1 | S1546 V1550 | S1546-M1548 PolarHBondContact O-N 3.1Å; M1548-V1550 PolarHBondContact O-N 3.02Å | ||
| 1549 | E | 25.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 79% | 0.79 | 61% | 0.613 | S | S | * | * | trans | -78.2 | 87.1 | -160.4 | -59.6 | 179.8 | 110.5 | 0 | 0 | 114.6 | N1551 | E1549-N1551 PolarHBondContact O-N 3.27Š| ||
| 1550 | V | 27.3 | Very low | 38 | Very low | 125 Ų | 125 | 107.7 Ų | 107.7 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | trans | -92.6 | 68.1 | 168.7 | -170 | 0 | 0 | 0 | 0 | 110.7 | M1548 S1552 | M1548-V1550 PolarHBondContact O-N 3.02Å; V1550-S1552 PolarHBondContact O-N 3.26Å | ||
| 1551 | N | 24.9 | Very low | 39.8 | Very low | 142 Ų | 142 | 99.1 Ų | 99.1 | 76% | 0.759 | 55% | 0.552 | S | S | * | * | trans | -92.1 | 75 | 179.9 | -87.6 | -45.1 | 0 | 0 | 0 | 112.6 | E1549 | E1549-N1551 PolarHBondContact O-N 3.27Š| ||
| 1552 | S | 29.3 | Very low | 42 | Very low | 83 Ų | 83 | 94 Ų | 94 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | trans | -156.2 | 79.6 | 165.1 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | V1550 V1554 | V1550-S1552 PolarHBondContact O-N 3.26Å; S1552-V1554 PolarHBondContact O-N 2.72Å; S1552-V1554 VanDerWaalsContact O-N 3.08Å | ||
| 1553 | N | 31.7 | Very low | 44 | Very low | 116 Ų | 116 | 88 Ų | 88 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | trans | -66.7 | 107.3 | 171.3 | -62.8 | 30.3 | 0 | 0 | 0 | 109.2 | Y1555 | N1553-Y1555 HydrophobicContact CB-CE1 4.31Å; N1553-Y1555 HydrophobicContact CB-CE2 3.88Å; N1553-Y1555 PolarHBondContact ND2-OH 2.82Å | ||
| 1554 | V | 36.1 | Very low | 45.5 | Very low | 85 Ų | 85 | 81.4 Ų | 81.4 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | trans | -104 | 134.1 | 168.6 | -168.9 | 0 | 0 | 0 | 0 | 106.9 | S1552 H1577 | S1552-V1554 PolarHBondContact O-N 2.72Å; S1552-V1554 VanDerWaalsContact O-N 3.08Å; V1554-H1577 HydrophobicContact CG1-CB 3.74Å | ||
| 1555 | Y | 44.3 | Very low | 46.7 | Very low | 109 Ų | 109 | 77.1 Ų | 77.1 | 43% | 0.427 | 43% | 0.425 | S | S | . | . | trans | -121.2 | 134.6 | -179 | -52.2 | -78.5 | 0 | 0 | 0 | 108.4 | T1490 S1491 N1553 | T1490-Y1555 VanDerWaalsContact OG1-CE2 3.29Å; T1490-Y1555 WeakPolarHBondContact OG1-CE2 3.46Å; T1490-Y1555 PolarHBondContact OG1-OH 3.24Å; T1490-Y1555 VanDerWaalsContact OG1-OH 3.08Å; S1491-Y1555 WeakPolarHBondContact OG-CD2 3.39Å; N1553-Y1555 HydrophobicContact CB-CE1 4.31Å; N1553-Y1555 HydrophobicContact CB-CE2 3.88Å; N1553-Y1555 PolarHBondContact ND2-OH 2.82Å | ||
| 1556 | G | 50.4 | Low | 48.1 | Very low | 9 Ų | 9 | 70.8 Ų | 70.8 | 9% | 0.093 | 39% | 0.391 | C | S | . | . | trans | -86.4 | 153.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1575 T1578 | G1556-D1575 WeakPolarHBondContact CA-OD1 3.28Å; G1556-T1578 VanDerWaalsContact N-CG2 3.26Å | ||
| 1557 | I | 60.6 | Low | 50.1 | Low | 66 Ų | 66 | 66.5 Ų | 66.5 | 34% | 0.338 | 36% | 0.361 | S | S | . | . | trans | -83.1 | 139 | 168.4 | -58.4 | 171.9 | 0 | 0 | 0 | 108.4 | N1461 T1477 L1559 E1574 D1575 | N1461-I1557 WeakPolarHBondContact ND2-CG2 3.48Å; T1477-I1557 HydrophobicContact CG2-CG2 4.18Å; I1557-L1559 PolarHBondContact O-N 3.1Å; I1557-E1574 CarbonylContact O-C 3.5Å; I1557-E1574 VanDerWaalsContact O-CA 3.31Å; I1557-E1574 WeakPolarHBondContact O-CA 3.06Å; I1557-D1575 VanDerWaalsContact CB-OD2 3.31Å; I1557-D1575 WeakPolarHBondContact CB-OD2 3.38Å; I1557-D1575 WeakPolarHBondContact CG1-OD2 3.11Å; I1557-D1575 VanDerWaalsContact N-CG 3.33Å; I1557-D1575 PolarHBondContact N-OD2 2.92Å; I1557-D1575 PolarHBondContact O-N 2.98Å | ||
| 1558 | L | 65.3 | Low | 52.2 | Low | 15 Ų | 15 | 64 Ų | 64 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 114.3 | 171.2 | 179.1 | 58.6 | 0 | 0 | 0 | 109.9 | S1462 F1495 M1561 T1572 | S1462-L1558 VanDerWaalsContact OG-CD2 3.25Å; S1462-L1558 WeakPolarHBondContact OG-CD2 3.49Å; F1495-L1558 HydrophobicContact CD1-CD2 4.12Å; F1495-L1558 HydrophobicContact CE1-CD2 4Å; L1558-M1561 HydrophobicContact CD2-SD 3.85Å; L1558-T1572 VanDerWaalsContact CD1-CB 3.49Å; L1558-T1572 HydrophobicContact CD1-CG2 3.67Å; L1558-T1572 HydrophobicContact CD2-CG2 4.39Å |
| 1559 | L | 66.7 | Low | 54.7 | Low | 83 Ų | 83 | 57.3 Ų | 57.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -41.2 | 178.2 | -72.8 | -175.5 | 0 | 0 | 0 | 112.4 | I1557 I1573 D1575 | I1557-L1559 PolarHBondContact O-N 3.1Å; L1559-I1573 PolarHBondContact N-O 2.8Å; L1559-D1575 HydrophobicContact CD1-CB 4.02Å; L1559-D1575 HydrophobicContact CD2-CB 4.09Å; L1559-D1575 HydrophobicContact CG-CB 3.84Å |
| 1560 | T | 68.7 | Low | 57.3 | Low | 47 Ų | 47 | 49.3 Ų | 49.3 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 151.9 | -175 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | I1573 I1604 | T1560-I1573 HydrophobicContact CG2-CB 3.99Å; T1560-I1573 PolarHBondContact N-O 2.64Å; T1560-I1573 PolarHBondContact O-N 3.25Å; T1560-I1604 HydrophobicContact CG2-CD1 3.51Å |
| 1561 | M | 74.5 | Confident | 59.7 | Low | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.059 | 23% | 0.232 | C | C | . | . | trans | -156.7 | 141.1 | -176.4 | 58.1 | -174.9 | -63.9 | 0 | 0 | 107 | S1462 A1464 V1473 L1558 L1570 T1572 | S1462-M1561 PolarHBondContact OG-SD 2.86Å; A1464-M1561 HydrophobicContact CB-CE 3.89Å; A1464-M1561 HydrophobicContact CB-CG 4.27Å; V1473-M1561 HydrophobicContact CB-CE 3.85Å; V1473-M1561 HydrophobicContact CG1-CE 3.63Å; L1558-M1561 HydrophobicContact CD2-SD 3.85Å; M1561-L1570 HydrophobicContact CE-CD1 4.18Å; M1561-L1570 HydrophobicContact CE-CD2 4.18Å; M1561-T1572 HydrophobicContact CB-CG2 4.27Å | ||
| 1562 | T | 79.6 | Confident | 62.1 | Low | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | trans | -171.9 | 96.6 | -159.2 | 176.4 | 0 | 0 | 0 | 0 | 114.7 | I1604 D2022 D2023 Q2024 | T1562-I1604 HydrophobicContact CG2-CD1 4.49Å; T1562-I1604 HydrophobicContact CG2-CG2 4.42Å; T1562-D2022 VanDerWaalsContact C-OD1 3.27Å; T1562-D2022 HydrophobicContact CG2-CB 4.19Å; T1562-D2022 VanDerWaalsContact N-CG 3.34Å; T1562-D2022 PolarHBondContact N-OD2 3.23Å; T1562-D2022 CarbonylContact O-C 2.72Å; T1562-D2022 WeakPolarHBondContact O-CA 3.31Å; T1562-D2022 WeakPolarHBondContact O-CB 3.35Å; T1562-D2023 PolarHBondContact O-N 3.21Å; T1562-Q2024 WeakPolarHBondContact OG1-CG 3.43Å; T1562-Q2024 PolarHBondContact OG1-NE2 3.18Å | ||
| 1563 | F | 70.4 | Confident | 64.1 | Low | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -61.4 | -168.1 | -176.9 | -66.1 | -83.1 | 0 | 0 | 0 | 117 | A1464 L1465 A1466 V1473 L1570 V1586 T1998 D2022 D2023 | A1464-F1563 HydrophobicContact CB-CD2 3.93Å; A1464-F1563 HydrophobicContact CB-CE2 3.81Å; L1465-F1563 WeakPolarHBondContact O-CD2 3.36Å; L1465-F1563 VanDerWaalsContact O-CE2 3.27Å; L1465-F1563 WeakPolarHBondContact O-CE2 3.47Å; A1466-F1563 HydrophobicContact CB-CD1 4.32Å; A1466-F1563 HydrophobicContact CB-CD2 4.2Å; A1466-F1563 HydrophobicContact CB-CE1 3.99Å; A1466-F1563 HydrophobicContact CB-CE2 3.86Å; A1466-F1563 HydrophobicContact CB-CG 4.4Å; A1466-F1563 HydrophobicContact CB-CZ 3.73Å; V1473-F1563 HydrophobicContact CG2-CE2 4.48Å; V1473-F1563 HydrophobicContact CG2-CZ 4.25Å; F1563-L1570 HydrophobicContact CD1-CD1 4.01Å; F1563-L1570 HydrophobicContact CD2-CD1 4.16Å; F1563-L1570 HydrophobicContact CE1-CB 4.37Å; F1563-L1570 HydrophobicContact CE1-CD1 3.5Å; F1563-L1570 VanDerWaalsContact CE1-CD1 3.5Å; F1563-L1570 HydrophobicContact CE2-CD1 3.68Å; F1563-L1570 HydrophobicContact CG-CD1 4.34Å; F1563-L1570 HydrophobicContact CZ-CD1 3.34Å; F1563-V1586 HydrophobicContact CE1-CG2 3.95Å; F1563-T1998 VanDerWaalsContact C-OG1 3.3Å; F1563-T1998 VanDerWaalsContact O-CG2 3.27Å; F1563-T1998 WeakPolarHBondContact O-CG2 3.45Å; F1563-T1998 PolarHBondContact O-OG1 3.49Å; F1563-D2022 WeakPolarHBondContact CA-OD1 3.29Å; F1563-D2022 PolarHBondContact N-OD1 3.26Å; F1563-D2023 CarbonylContact O-C 2.7Å; F1563-D2023 PolarHBondContact O-N 3.44Å | ||
| 1564 | T | 61.3 | Low | 65.9 | Low | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -143.1 | 0 | -137.2 | 19.7 | 0 | 0 | 0 | 0 | 115.5 | T1998 L2018 Q2020 L2021 D2023 | T1564-T1998 PolarHBondContact N-OG1 3.03Å; T1564-T1998 WeakPolarHBondContact O-CB 3.35Å; T1564-T1998 PolarHBondContact O-OG1 3.42Å; T1564-L2018 CarbonylContact C-O 3.49Å; T1564-L2018 HydrophobicContact CG2-CB 4.12Å; T1564-L2018 HydrophobicContact CG2-CD1 3.63Å; T1564-L2018 HydrophobicContact CG2-CG 3.49Å; T1564-L2018 VanDerWaalsContact CG2-CG 3.49Å; T1564-L2018 PolarHBondContact N-O 3.04Å; T1564-L2018 VanDerWaalsContact O-CA 3.28Å; T1564-L2018 WeakPolarHBondContact O-CA 3.28Å; T1564-L2018 WeakPolarHBondContact OG1-CB 3.14Å; T1564-L2018 PolarHBondContact OG1-O 3.45Å; T1564-L2018 VanDerWaalsContact OG1-O 3.08Å; T1564-Q2020 PolarHBondContact OG1-N 3.2Å; T1564-L2021 WeakPolarHBondContact CB-O 3.12Å; T1564-L2021 HydrophobicContact CG2-CB 4.14Å; T1564-L2021 VanDerWaalsContact CG2-O 3.27Å; T1564-L2021 WeakPolarHBondContact CG2-O 3.02Å; T1564-L2021 PolarHBondContact OG1-N 3.45Å; T1564-L2021 PolarHBondContact OG1-O 2.91Å; T1564-D2023 VanDerWaalsContact CA-O 3.29Å; T1564-D2023 WeakPolarHBondContact CA-O 3.47Å; T1564-D2023 HydrophobicContact CG2-CB 3.16Å; T1564-D2023 VanDerWaalsContact CG2-OD1 3.3Å; T1564-D2023 WeakPolarHBondContact CG2-OD1 2.91Å; T1564-D2023 WeakPolarHBondContact CG2-OD2 3.23Å | ||
| 1565 | I | 57.2 | Low | 67.2 | Low | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | 0 | -0.4 | 0 | -65.6 | -177.8 | 0 | 0 | 0 | 132.8 | I2017 L2018 I2025 V2038 T2040 V2046 | I1565-I2017 CarbonylContact C-O 3.33Å; I1565-I2017 VanDerWaalsContact C-O 3.29Å; I1565-I2017 HydrophobicContact CB-CB 3.94Å; I1565-I2017 HydrophobicContact CD1-CD1 3.93Å; I1565-I2017 HydrophobicContact CG1-CB 3.93Å; I1565-I2017 HydrophobicContact CG1-CD1 3.7Å; I1565-I2017 HydrophobicContact CG1-CG1 4.02Å; I1565-I2017 HydrophobicContact CG2-CB 3.95Å; I1565-I2017 HydrophobicContact CG2-CD1 4.4Å; I1565-I2017 HydrophobicContact CG2-CG2 4.18Å; I1565-I2017 CarbonylContact O-C 3.11Å; I1565-I2017 WeakPolarHBondContact O-CA 3.46Å; I1565-I2017 WeakPolarHBondContact O-CB 3.32Å; I1565-I2017 VanDerWaalsContact O-CG2 3.23Å; I1565-I2017 WeakPolarHBondContact O-CG2 2.99Å; I1565-L2018 HydrophobicContact CB-CD2 3.94Å; I1565-L2018 HydrophobicContact CB-CG 4.27Å; I1565-L2018 VanDerWaalsContact N-CD2 3.33Å; I1565-L2018 PolarHBondContact O-N 2.68Å; I1565-I2025 HydrophobicContact CD1-CG1 3.76Å; I1565-I2025 HydrophobicContact CG1-CG1 4.29Å; I1565-V2038 HydrophobicContact CD1-CB 3.55Å; I1565-V2038 HydrophobicContact CD1-CG1 3.31Å; I1565-T2040 HydrophobicContact CB-CG2 3.83Å; I1565-T2040 HydrophobicContact CD1-CG2 3.26Å; I1565-T2040 HydrophobicContact CG1-CG2 3.37Å; I1565-V2046 HydrophobicContact CG2-CB 3.47Å; I1565-V2046 VanDerWaalsContact CG2-CB 3.47Å; I1565-V2046 HydrophobicContact CG2-CG1 3.46Å; I1565-V2046 VanDerWaalsContact CG2-CG1 3.46Å; I1565-V2046 HydrophobicContact CG2-CG2 3.85Å | |
| 1566 | D | 59.9 | Low | 68 | Low | 18 Ų | 18 | 25.8 Ų | 25.8 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -106.5 | -29.7 | 145.7 | -169.5 | 76.1 | 0 | 0 | 0 | 129 | R1568 I2017 L2018 P2019 R2073 K2076 | D1566-R1568 IonicContact OD2-CZ 3.34Å; D1566-R1568 IonicContact OD2-NE 2.7Å; D1566-R1568 PolarHBondContact OD2-NE 3.49Å; D1566-R1568 IonicContact OD2-NH2 3.51Å; D1566-R1568 PolarHBondContact OD2-NH2 3.13Å; D1566-I2017 CarbonylContact C-O 3.57Å; D1566-I2017 WeakPolarHBondContact CA-O 3.1Å; D1566-I2017 PolarHBondContact N-O 3.3Å; D1566-L2018 HydrophobicContact CB-CB 4.1Å; D1566-L2018 HydrophobicContact CB-CD1 4.12Å; D1566-L2018 HydrophobicContact CB-CD2 3.68Å; D1566-L2018 HydrophobicContact CB-CG 4.07Å; D1566-P2019 WeakPolarHBondContact O-CD 3.18Å; D1566-R2073 PolarHBondContact O-NH1 2.78Å; D1566-R2073 PolarHBondContact O-NH2 3.42Å; D1566-R2073 IonicContact OD1-CZ 2.75Å; D1566-R2073 IonicContact OD1-NE 2.62Å; D1566-R2073 PolarHBondContact OD1-NE 2.92Å; D1566-R2073 IonicContact OD1-NH2 3.2Å; D1566-R2073 PolarHBondContact OD1-NH2 3Å; D1566-K2076 WeakPolarHBondContact OD1-CE 3.07Å; D1566-K2076 IonicContact OD1-NZ 2.82Å; D1566-K2076 PolarHBondContact OD1-NZ 2.94Å; D1566-K2076 VanDerWaalsContact OD2-CE 3.31Å; D1566-K2076 WeakPolarHBondContact OD2-CE 2.89Å; D1566-K2076 IonicContact OD2-NZ 2.59Å; D1566-K2076 PolarHBondContact OD2-NZ 2.8Å |
| 1567 | S | 70.5 | Confident | 68.1 | Low | 14 Ų | 14 | 30 Ų | 30 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 101.9 | 73.2 | 160.2 | 110.2 | 0 | 0 | 0 | 0 | 104.8 | N1468 L2018 P2019 Q2020 | N1468-S1567 WeakPolarHBondContact CA-OG 3.23Å; N1468-S1567 WeakPolarHBondContact CB-OG 3.31Å; N1468-S1567 VanDerWaalsContact CG-OG 3.24Å; N1468-S1567 PolarHBondContact N-OG 3.35Å; N1468-S1567 VanDerWaalsContact N-OG 3.09Å; N1468-S1567 PolarHBondContact OD1-OG 2.82Å; S1567-L2018 VanDerWaalsContact N-C 3.33Å; S1567-L2018 VanDerWaalsContact N-CA 3.33Å; S1567-L2018 VanDerWaalsContact N-N 3.14Å; S1567-P2019 CarbonylContact C-O 3.53Å; S1567-P2019 WeakPolarHBondContact O-CB 3.09Å; S1567-P2019 WeakPolarHBondContact O-CG 3.09Å; S1567-P2019 VanDerWaalsContact OG-CB 3.22Å; S1567-P2019 WeakPolarHBondContact OG-CB 3.35Å; S1567-P2019 WeakPolarHBondContact OG-CD 3.45Å; S1567-P2019 WeakPolarHBondContact OG-CG 3.38Å; S1567-Q2020 VanDerWaalsContact CA-N 3.28Å; S1567-Q2020 VanDerWaalsContact N-N 3.16Å |
| 1568 | R | 68.4 | Low | 68.1 | Low | 71 Ų | 71 | 27.7 Ų | 27.7 | 27% | 0.268 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -143.8 | -8.8 | 162.1 | -80.3 | 174.7 | -72 | 128.6 | 10.6 | 123 | D1566 S1585 V1586 P1587 P2019 Q2020 | D1566-R1568 IonicContact OD2-CZ 3.34Å; D1566-R1568 IonicContact OD2-NE 2.7Å; D1566-R1568 PolarHBondContact OD2-NE 3.49Å; D1566-R1568 IonicContact OD2-NH2 3.51Å; D1566-R1568 PolarHBondContact OD2-NH2 3.13Å; R1568-S1585 CarbonylContact O-C 3.11Å; R1568-S1585 VanDerWaalsContact O-C 3.3Å; R1568-S1585 WeakPolarHBondContact O-CA 3.38Å; R1568-V1586 PolarHBondContact O-N 3.41Å; R1568-P1587 WeakPolarHBondContact O-CD 3.43Å; R1568-P2019 CarbonylContact C-O 3.59Å; R1568-P2019 VanDerWaalsContact C-O 3.26Å; R1568-P2019 WeakPolarHBondContact CA-O 3.45Å; R1568-P2019 VanDerWaalsContact N-CA 3.35Å; R1568-P2019 PolarHBondContact N-O 3.38Å; R1568-Q2020 HydrophobicContact CB-CB 3.91Å; R1568-Q2020 HydrophobicContact CB-CG 3.48Å; R1568-Q2020 VanDerWaalsContact CB-CG 3.48Å; R1568-Q2020 VanDerWaalsContact N-CB 3.34Å |
| 1569 | Y | 76.5 | Confident | 68.2 | Low | 31 Ų | 31 | 28.2 Ų | 28.2 | 12% | 0.122 | 13% | 0.134 | C | C | . | . | trans | -143.4 | -143 | -164.3 | -61.2 | -6 | 0 | 0 | 0 | 115.2 | L1583 W1584 S1585 V1586 L1592 P2019 Q2020 L2021 | Y1569-L1583 HydrophobicContact CD2-CD1 4.08Å; Y1569-L1583 HydrophobicContact CD2-CD2 4.14Å; Y1569-L1583 HydrophobicContact CD2-CG 4.1Å; Y1569-L1583 HydrophobicContact CE2-CD2 4.34Å; Y1569-W1584 WeakPolarHBondContact CB-O 3.48Å; Y1569-W1584 WeakPolarHBondContact CD1-O 3.26Å; Y1569-S1585 VanDerWaalsContact CA-CA 3.46Å; Y1569-V1586 WeakPolarHBondContact O-CG2 3.36Å; Y1569-L1592 HydrophobicContact CD1-CD1 3.68Å; Y1569-L1592 HydrophobicContact CD2-CD1 3.51Å; Y1569-L1592 HydrophobicContact CE1-CD1 3.37Å; Y1569-L1592 HydrophobicContact CE2-CD1 3.2Å; Y1569-L1592 HydrophobicContact CG-CD1 3.8Å; Y1569-P2019 PolarHBondContact N-O 2.56Å; Y1569-Q2020 CarbonylContact C-O 3.46Å; Y1569-Q2020 WeakPolarHBondContact CA-O 3.08Å; Y1569-Q2020 WeakPolarHBondContact CB-O 3.23Å; Y1569-Q2020 HydrophobicContact CD1-CG 3.68Å; Y1569-Q2020 HydrophobicContact CD2-CG 3.55Å; Y1569-Q2020 HydrophobicContact CE1-CG 4.22Å; Y1569-Q2020 HydrophobicContact CE2-CG 4.09Å; Y1569-Q2020 HydrophobicContact CG-CG 3.3Å; Y1569-Q2020 PolarHBondContact N-O 2.73Å; Y1569-Q2020 PolarHBondContact OH-NE2 3.49Å; Y1569-L2021 HydrophobicContact CD2-CD1 4.49Å; Y1569-L2021 HydrophobicContact CD2-CD2 3.59Å; Y1569-L2021 HydrophobicContact CD2-CG 3.82Å; Y1569-L2021 HydrophobicContact CE2-CD2 3.91Å; Y1569-L2021 HydrophobicContact CE2-CG 4.48Å | ||
| 1570 | L | 80.7 | Confident | 68.2 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -177.7 | 159.1 | 168.5 | -174.6 | 84.3 | 0 | 0 | 0 | 108.4 | M1561 F1563 T1572 L1583 W1584 Q2020 D2022 | M1561-L1570 HydrophobicContact CE-CD1 4.18Å; M1561-L1570 HydrophobicContact CE-CD2 4.18Å; F1563-L1570 HydrophobicContact CD1-CD1 4.01Å; F1563-L1570 HydrophobicContact CD2-CD1 4.16Å; F1563-L1570 HydrophobicContact CE1-CB 4.37Å; F1563-L1570 HydrophobicContact CE1-CD1 3.5Å; F1563-L1570 VanDerWaalsContact CE1-CD1 3.5Å; F1563-L1570 HydrophobicContact CE2-CD1 3.68Å; F1563-L1570 HydrophobicContact CG-CD1 4.34Å; F1563-L1570 HydrophobicContact CZ-CD1 3.34Å; L1570-T1572 HydrophobicContact CD2-CG2 3.74Å; L1570-T1572 HydrophobicContact CG-CG2 4.48Å; L1570-L1583 CarbonylContact O-C 3.49Å; L1570-L1583 VanDerWaalsContact O-CA 3.23Å; L1570-L1583 WeakPolarHBondContact O-CA 3.41Å; L1570-L1583 WeakPolarHBondContact O-CD1 3.4Å; L1570-W1584 HydrophobicContact CB-CB 3.88Å; L1570-W1584 HydrophobicContact CB-CG 4.18Å; L1570-W1584 HydrophobicContact CD2-CG 4.46Å; L1570-W1584 PolarHBondContact O-N 2.77Å; L1570-Q2020 PolarHBondContact N-O 3.48Å; L1570-D2022 WeakPolarHBondContact CA-OD1 2.99Å; L1570-D2022 WeakPolarHBondContact CD1-OD1 3.32Å; L1570-D2022 VanDerWaalsContact CD1-OD2 3.22Å; L1570-D2022 WeakPolarHBondContact CD1-OD2 3.41Å; L1570-D2022 WeakPolarHBondContact CG-OD2 3.31Å | ||
| 1571 | I | 76.1 | Confident | 68.5 | Low | 7 Ų | 7 | 24.9 Ų | 24.9 | 4% | 0.036 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 103.4 | 170.2 | -47.3 | 161.5 | 0 | 0 | 0 | 110.7 | V1581 K1582 L1583 L2021 D2022 N2042 | I1571-V1581 HydrophobicContact CG2-CG1 3.44Å; I1571-V1581 VanDerWaalsContact CG2-CG1 3.44Å; I1571-K1582 WeakPolarHBondContact CA-O 3.44Å; I1571-L1583 HydrophobicContact CD1-CD1 4.18Å; I1571-L1583 HydrophobicContact CG1-CD1 3.46Å; I1571-L1583 VanDerWaalsContact CG1-CD1 3.46Å; I1571-L2021 HydrophobicContact CD1-CB 4.16Å; I1571-L2021 HydrophobicContact CG1-CB 4.44Å; I1571-D2022 HydrophobicContact CB-CB 3.45Å; I1571-D2022 VanDerWaalsContact CB-CB 3.45Å; I1571-D2022 HydrophobicContact CD1-CB 4.1Å; I1571-D2022 VanDerWaalsContact CD1-N 3.27Å; I1571-D2022 HydrophobicContact CG1-CB 3.77Å; I1571-D2022 PolarHBondContact N-OD1 3.22Å; I1571-D2022 PolarHBondContact N-OD2 3.16Å; I1571-N2042 WeakPolarHBondContact CD1-OD1 3.22Å |
| 1572 | T | 75.1 | Confident | 68.5 | Low | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.2 | 172.9 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | F1495 L1558 M1561 L1570 K1582 W1584 | F1495-T1572 HydrophobicContact CE1-CG2 4.41Å; F1495-T1572 HydrophobicContact CZ-CG2 4.4Å; L1558-T1572 VanDerWaalsContact CD1-CB 3.49Å; L1558-T1572 HydrophobicContact CD1-CG2 3.67Å; L1558-T1572 HydrophobicContact CD2-CG2 4.39Å; M1561-T1572 HydrophobicContact CB-CG2 4.27Å; L1570-T1572 HydrophobicContact CD2-CG2 3.74Å; L1570-T1572 HydrophobicContact CG-CG2 4.48Å; T1572-K1582 PolarHBondContact N-O 2.77Å; T1572-K1582 PolarHBondContact O-N 2.75Å; T1572-K1582 WeakPolarHBondContact OG1-CB 3.43Å; T1572-K1582 PolarHBondContact OG1-O 2.97Å; T1572-W1584 PolarHBondContact OG1-NE1 3.31Å |
| 1573 | I | 71.6 | Confident | 68.4 | Low | 14 Ų | 14 | 25.1 Ų | 25.1 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.8 | 164.6 | -60.5 | -162.3 | 0 | 0 | 0 | 109.2 | L1559 T1560 V1581 F1601 I1604 | L1559-I1573 PolarHBondContact N-O 2.8Å; T1560-I1573 HydrophobicContact CG2-CB 3.99Å; T1560-I1573 PolarHBondContact N-O 2.64Å; T1560-I1573 PolarHBondContact O-N 3.25Å; I1573-V1581 HydrophobicContact CD1-CG2 4.07Å; I1573-V1581 HydrophobicContact CG1-CG1 4.34Å; I1573-V1581 HydrophobicContact CG1-CG2 4.16Å; I1573-F1601 HydrophobicContact CD1-CD2 4.41Å; I1573-I1604 HydrophobicContact CD1-CD1 3.81Å; I1573-I1604 HydrophobicContact CD1-CG1 4.26Å; I1573-I1604 HydrophobicContact CG1-CD1 4.37Å |
| 1574 | E | 70.2 | Confident | 68.6 | Low | 14 Ų | 14 | 26.7 Ų | 26.7 | 7% | 0.065 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 170 | 172.2 | -70.8 | 177.8 | -176.9 | 0 | 0 | 112.3 | I1557 T1578 E1580 K1582 | I1557-E1574 CarbonylContact O-C 3.5Å; I1557-E1574 VanDerWaalsContact O-CA 3.31Å; I1557-E1574 WeakPolarHBondContact O-CA 3.06Å; E1574-T1578 WeakPolarHBondContact CB-OG1 3.24Å; E1574-T1578 PolarHBondContact OE2-OG1 3.26Å; E1574-E1580 PolarHBondContact N-O 2.65Å; E1574-K1582 VanDerWaalsContact CD-CE 3.42Å; E1574-K1582 VanDerWaalsContact OE1-CE 3.25Å; E1574-K1582 WeakPolarHBondContact OE1-CE 3.3Å; E1574-K1582 IonicContact OE1-NZ 2.63Å; E1574-K1582 PolarHBondContact OE1-NZ 2.83Å; E1574-K1582 WeakPolarHBondContact OE2-CE 3.41Å; E1574-K1582 IonicContact OE2-NZ 3.54Å; E1574-K1582 PolarHBondContact OE2-NZ 3.17Å |
| 1575 | D | 64.3 | Low | 69.2 | Low | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | trans | -68.1 | 174.4 | -177.6 | 72.5 | 28 | 0 | 0 | 0 | 114.9 | G1556 I1557 L1559 H1577 T1578 N1579 | G1556-D1575 WeakPolarHBondContact CA-OD1 3.28Å; I1557-D1575 VanDerWaalsContact CB-OD2 3.31Å; I1557-D1575 WeakPolarHBondContact CB-OD2 3.38Å; I1557-D1575 WeakPolarHBondContact CG1-OD2 3.11Å; I1557-D1575 VanDerWaalsContact N-CG 3.33Å; I1557-D1575 PolarHBondContact N-OD2 2.92Å; I1557-D1575 PolarHBondContact O-N 2.98Å; L1559-D1575 HydrophobicContact CD1-CB 4.02Å; L1559-D1575 HydrophobicContact CD2-CB 4.09Å; L1559-D1575 HydrophobicContact CG-CB 3.84Å; D1575-H1577 PolarHBondContact O-N 3.28Å; D1575-H1577 WeakPolarHBondContact OD1-CA 3.45Å; D1575-H1577 WeakPolarHBondContact OD1-CB 3.39Å; D1575-H1577 IonicContact OD1-CD2 3.92Å; D1575-H1577 PolarHBondContact OD1-CD2 2.97Å; D1575-H1577 IonicContact OD1-CG 3.65Å; D1575-H1577 PolarHBondContact OD1-N 2.82Å; D1575-H1577 IonicContact OD2-CD2 2.67Å; D1575-T1578 PolarHBondContact O-N 3.33Å; D1575-N1579 PolarHBondContact O-N 2.9Å | ||
| 1576 | Y | 60.2 | Low | 70 | Confident | 123 Ų | 123 | 27.9 Ų | 27.9 | 48% | 0.482 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 3.6 | -179.9 | 72.3 | -80.7 | 0 | 0 | 0 | 115 | H1361 N1579 | H1361-Y1576 AromaticContact CE1-CD1 3.94Å; Y1576-N1579 WeakPolarHBondContact CA-OD1 3.02Å |
| 1577 | H | 51.9 | Low | 70.2 | Confident | 99 Ų | 99 | 31.2 Ų | 31.2 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -24.7 | 169.7 | -57.8 | -47.5 | 0 | 0 | 0 | 113.3 | V1554 D1575 | V1554-H1577 HydrophobicContact CG1-CB 3.74Å; D1575-H1577 PolarHBondContact O-N 3.28Å; D1575-H1577 WeakPolarHBondContact OD1-CA 3.45Å; D1575-H1577 WeakPolarHBondContact OD1-CB 3.39Å; D1575-H1577 IonicContact OD1-CD2 3.92Å; D1575-H1577 PolarHBondContact OD1-CD2 2.97Å; D1575-H1577 IonicContact OD1-CG 3.65Å; D1575-H1577 PolarHBondContact OD1-N 2.82Å; D1575-H1577 IonicContact OD2-CD2 2.67Å |
| 1578 | T | 62.1 | Low | 69.7 | Low | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -30.8 | 172.5 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | G1556 E1574 D1575 E1580 N1596 | G1556-T1578 VanDerWaalsContact N-CG2 3.26Å; E1574-T1578 WeakPolarHBondContact CB-OG1 3.24Å; E1574-T1578 PolarHBondContact OE2-OG1 3.26Å; D1575-T1578 PolarHBondContact O-N 3.33Å; T1578-E1580 PolarHBondContact O-N 2.96Å; T1578-E1580 VanDerWaalsContact O-N 3.11Å; T1578-N1596 PolarHBondContact O-ND2 3.29Å; T1578-N1596 PolarHBondContact O-OD1 2.96Å |
| 1579 | N | 66.5 | Low | 69.7 | Low | 26 Ų | 26 | 34.7 Ų | 34.7 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | trans | 52.2 | 23.8 | -173.9 | -78.6 | -16.9 | 0 | 0 | 0 | 114.2 | D1575 Y1576 I1597 G1599 | D1575-N1579 PolarHBondContact O-N 2.9Å; Y1576-N1579 WeakPolarHBondContact CA-OD1 3.02Å; N1579-I1597 VanDerWaalsContact CB-O 3.26Å; N1579-I1597 WeakPolarHBondContact CB-O 3.44Å; N1579-I1597 PolarHBondContact ND2-O 3.07Å; N1579-G1599 PolarHBondContact ND2-O 3.06Å; N1579-G1599 VanDerWaalsContact ND2-O 3.13Å | ||
| 1580 | E | 66.2 | Low | 69 | Low | 57 Ų | 57 | 36 Ų | 36 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.8 | -175.7 | -68.9 | -172.2 | 158.2 | 0 | 0 | 112 | E1574 T1578 K1582 V1595 N1596 | E1574-E1580 PolarHBondContact N-O 2.65Å; T1578-E1580 PolarHBondContact O-N 2.96Å; T1578-E1580 VanDerWaalsContact O-N 3.11Å; E1580-K1582 HydrophobicContact CB-CD 4.37Å; E1580-K1582 HydrophobicContact CB-CG 4.11Å; E1580-K1582 WeakPolarHBondContact OE2-CE 3.43Å; E1580-K1582 IonicContact OE2-NZ 3.41Å; E1580-K1582 PolarHBondContact OE2-NZ 2.81Å; E1580-V1595 WeakPolarHBondContact CA-O 3.47Å; E1580-N1596 HydrophobicContact CG-CB 4.21Å |
| 1581 | V | 74.8 | Confident | 68.5 | Low | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.1 | 169.9 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | I1571 I1573 T1594 V1595 I1597 F1601 | I1571-V1581 HydrophobicContact CG2-CG1 3.44Å; I1571-V1581 VanDerWaalsContact CG2-CG1 3.44Å; I1573-V1581 HydrophobicContact CD1-CG2 4.07Å; I1573-V1581 HydrophobicContact CG1-CG1 4.34Å; I1573-V1581 HydrophobicContact CG1-CG2 4.16Å; V1581-T1594 WeakPolarHBondContact O-CA 3.23Å; V1581-V1595 PolarHBondContact N-O 2.8Å; V1581-V1595 PolarHBondContact O-N 2.92Å; V1581-I1597 HydrophobicContact CG2-CD1 3.85Å; V1581-F1601 HydrophobicContact CG2-CE2 4.2Å |
| 1582 | K | 74.4 | Confident | 68 | Low | 26 Ų | 26 | 42.1 Ų | 42.1 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120 | -167.7 | -43.2 | -172.5 | -178.4 | -179.2 | 0 | 113.1 | I1571 T1572 E1574 E1580 W1584 L1591 S1593 T1594 | I1571-K1582 WeakPolarHBondContact CA-O 3.44Å; T1572-K1582 PolarHBondContact N-O 2.77Å; T1572-K1582 PolarHBondContact O-N 2.75Å; T1572-K1582 WeakPolarHBondContact OG1-CB 3.43Å; T1572-K1582 PolarHBondContact OG1-O 2.97Å; E1574-K1582 VanDerWaalsContact CD-CE 3.42Å; E1574-K1582 VanDerWaalsContact OE1-CE 3.25Å; E1574-K1582 WeakPolarHBondContact OE1-CE 3.3Å; E1574-K1582 IonicContact OE1-NZ 2.63Å; E1574-K1582 PolarHBondContact OE1-NZ 2.83Å; E1574-K1582 WeakPolarHBondContact OE2-CE 3.41Å; E1574-K1582 IonicContact OE2-NZ 3.54Å; E1574-K1582 PolarHBondContact OE2-NZ 3.17Å; E1580-K1582 HydrophobicContact CB-CD 4.37Å; E1580-K1582 HydrophobicContact CB-CG 4.11Å; E1580-K1582 WeakPolarHBondContact OE2-CE 3.43Å; E1580-K1582 IonicContact OE2-NZ 3.41Å; E1580-K1582 PolarHBondContact OE2-NZ 2.81Å; K1582-W1584 VanDerWaalsContact O-CD1 3.23Å; K1582-W1584 PolarHBondContact O-NE1 2.92Å; K1582-L1591 HydrophobicContact CB-CD1 3.96Å; K1582-S1593 CarbonylContact C-O 3.46Å; K1582-S1593 WeakPolarHBondContact CA-O 3.32Å; K1582-T1594 HydrophobicContact CB-CG2 3.91Å; K1582-T1594 HydrophobicContact CD-CG2 4.05Å; K1582-T1594 HydrophobicContact CG-CG2 3.78Å |
| 1583 | L | 77.5 | Confident | 67.5 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.5 | -178.4 | -177.9 | 71.5 | 0 | 0 | 0 | 112.2 | Y1569 L1570 I1571 L1591 L1592 S1593 L1673 L2021 | Y1569-L1583 HydrophobicContact CD2-CD1 4.08Å; Y1569-L1583 HydrophobicContact CD2-CD2 4.14Å; Y1569-L1583 HydrophobicContact CD2-CG 4.1Å; Y1569-L1583 HydrophobicContact CE2-CD2 4.34Å; L1570-L1583 CarbonylContact O-C 3.49Å; L1570-L1583 VanDerWaalsContact O-CA 3.23Å; L1570-L1583 WeakPolarHBondContact O-CA 3.41Å; L1570-L1583 WeakPolarHBondContact O-CD1 3.4Å; I1571-L1583 HydrophobicContact CD1-CD1 4.18Å; I1571-L1583 HydrophobicContact CG1-CD1 3.46Å; I1571-L1583 VanDerWaalsContact CG1-CD1 3.46Å; L1583-L1591 WeakPolarHBondContact O-CD1 3.49Å; L1583-L1592 PolarHBondContact O-N 3.06Å; L1583-S1593 PolarHBondContact N-O 3.18Å; L1583-S1593 PolarHBondContact O-N 3.01Å; L1583-L1673 HydrophobicContact CB-CD1 4.37Å; L1583-L2021 HydrophobicContact CD1-CB 3.75Å; L1583-L2021 HydrophobicContact CD1-CD2 3.41Å; L1583-L2021 VanDerWaalsContact CD1-CD2 3.41Å; L1583-L2021 HydrophobicContact CD1-CG 3.76Å; L1583-L2021 HydrophobicContact CD2-CD2 3.59Å; L1583-L2021 HydrophobicContact CG-CD2 4.09Å |
| 1584 | W | 74.9 | Confident | 67.5 | Low | 33 Ų | 33 | 45.6 Ų | 45.6 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | trans | -109.5 | -153.9 | -173.1 | -58.3 | 83.7 | 0 | 0 | 0 | 114.4 | F1495 Y1569 L1570 T1572 K1582 T1590 L1591 L1592 | F1495-W1584 HydrophobicContact CE2-CD2 4.39Å; F1495-W1584 AromaticContact CE2-CE2 3.91Å; F1495-W1584 HydrophobicContact CE2-CE3 4.44Å; F1495-W1584 AromaticContact CE2-CH2 3.61Å; F1495-W1584 HydrophobicContact CE2-CH2 3.61Å; F1495-W1584 AromaticContact CE2-CZ2 3.52Å; F1495-W1584 HydrophobicContact CE2-CZ2 3.52Å; F1495-W1584 HydrophobicContact CE2-CZ3 4.07Å; F1495-W1584 HydrophobicContact CZ-CH2 4.01Å; F1495-W1584 AromaticContact CZ-CZ2 3.56Å; F1495-W1584 HydrophobicContact CZ-CZ2 3.56Å; Y1569-W1584 WeakPolarHBondContact CB-O 3.48Å; Y1569-W1584 WeakPolarHBondContact CD1-O 3.26Å; L1570-W1584 HydrophobicContact CB-CB 3.88Å; L1570-W1584 HydrophobicContact CB-CG 4.18Å; L1570-W1584 HydrophobicContact CD2-CG 4.46Å; L1570-W1584 PolarHBondContact O-N 2.77Å; T1572-W1584 PolarHBondContact OG1-NE1 3.31Å; K1582-W1584 VanDerWaalsContact O-CD1 3.23Å; K1582-W1584 PolarHBondContact O-NE1 2.92Å; W1584-T1590 CarbonylContact C-O 3.54Å; W1584-T1590 WeakPolarHBondContact CA-O 3.31Å; W1584-L1591 HydrophobicContact CD2-CB 4.45Å; W1584-L1591 HydrophobicContact CD2-CD1 3.88Å; W1584-L1591 HydrophobicContact CE3-CB 3.87Å; W1584-L1591 HydrophobicContact CE3-CD1 4.13Å; W1584-L1591 HydrophobicContact CG-CD1 4.4Å; W1584-L1591 HydrophobicContact CH2-CB 4.33Å; W1584-L1591 HydrophobicContact CH2-CD1 4.14Å; W1584-L1591 HydrophobicContact CZ2-CD1 3.9Å; W1584-L1591 HydrophobicContact CZ3-CB 3.81Å; W1584-L1591 HydrophobicContact CZ3-CD1 4.27Å; W1584-L1592 WeakPolarHBondContact O-CD1 3.43Å; W1584-L1592 WeakPolarHBondContact O-CG 3.13Å | ||
| 1585 | S | 75.3 | Confident | 67.4 | Low | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | trans | -159.3 | 89.4 | -178 | -168.5 | 0 | 0 | 0 | 0 | 113.2 | R1568 Y1569 P1587 N1588 W1589 T1590 | R1568-S1585 CarbonylContact O-C 3.11Å; R1568-S1585 VanDerWaalsContact O-C 3.3Å; R1568-S1585 WeakPolarHBondContact O-CA 3.38Å; Y1569-S1585 VanDerWaalsContact CA-CA 3.46Å; S1585-P1587 VanDerWaalsContact C-CD 3.48Å; S1585-N1588 CarbonylContact O-C 3.44Å; S1585-N1588 PolarHBondContact O-N 2.7Å; S1585-W1589 WeakPolarHBondContact O-CA 3.21Å; S1585-W1589 PolarHBondContact O-N 2.84Å; S1585-T1590 WeakPolarHBondContact CB-O 3.39Å; S1585-T1590 WeakPolarHBondContact CB-OG1 3.36Å; S1585-T1590 PolarHBondContact N-O 3.08Å; S1585-T1590 PolarHBondContact O-N 3.06Å | ||
| 1586 | V | 72.4 | Confident | 67.6 | Low | 18 Ų | 18 | 50 Ų | 50 | 11% | 0.109 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | -54.7 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 115.9 | F1563 R1568 Y1569 N1588 W1589 P2019 | F1563-V1586 HydrophobicContact CE1-CG2 3.95Å; R1568-V1586 PolarHBondContact O-N 3.41Å; Y1569-V1586 WeakPolarHBondContact O-CG2 3.36Å; V1586-N1588 PolarHBondContact O-N 3.17Å; V1586-N1588 VanDerWaalsContact O-N 3.15Å; V1586-W1589 HydrophobicContact CB-CZ2 4.36Å; V1586-W1589 HydrophobicContact CG1-CH2 4.4Å; V1586-W1589 HydrophobicContact CG1-CZ2 3.84Å; V1586-W1589 HydrophobicContact CG2-CH2 4.18Å; V1586-W1589 HydrophobicContact CG2-CZ2 4.42Å; V1586-W1589 PolarHBondContact O-N 3.28Å; V1586-W1589 PolarHBondContact O-NE1 2.97Å; V1586-P2019 HydrophobicContact CG2-CB 4.2Å; V1586-P2019 WeakPolarHBondContact CG2-O 3.47Å |
| 1587 | P | 64.2 | Low | 67.9 | Low | 88 Ų | 88 | 44.8 Ų | 44.8 | 57% | 0.571 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21 | -170.1 | 29.5 | -34 | 0 | 0 | 0 | 112.3 | R1568 S1585 | R1568-P1587 WeakPolarHBondContact O-CD 3.43Å; S1585-P1587 VanDerWaalsContact C-CD 3.48Å |
| 1588 | N | 61.7 | Low | 68.4 | Low | 114 Ų | 114 | 46.3 Ų | 46.3 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -10.5 | -177.7 | -60.4 | 2.9 | 0 | 0 | 0 | 113.2 | S1585 V1586 T1590 | S1585-N1588 CarbonylContact O-C 3.44Å; S1585-N1588 PolarHBondContact O-N 2.7Å; V1586-N1588 PolarHBondContact O-N 3.17Å; V1586-N1588 VanDerWaalsContact O-N 3.15Å; N1588-T1590 HydrophobicContact CB-CG2 3.88Å; N1588-T1590 PolarHBondContact O-N 2.95Å |
| 1589 | W | 68.3 | Low | 68.4 | Low | 43 Ų | 43 | 45.6 Ų | 45.6 | 16% | 0.163 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 38.6 | -163 | -67 | 98.7 | 0 | 0 | 0 | 115.4 | V1473 T1497 F1529 S1585 V1586 | V1473-W1589 HydrophobicContact CG2-CH2 3.66Å; V1473-W1589 HydrophobicContact CG2-CZ2 4.36Å; V1473-W1589 HydrophobicContact CG2-CZ3 4.39Å; T1497-W1589 HydrophobicContact CG2-CD2 4.32Å; T1497-W1589 HydrophobicContact CG2-CH2 4.24Å; T1497-W1589 HydrophobicContact CG2-CZ2 3.92Å; F1529-W1589 HydrophobicContact CD1-CB 4.09Å; F1529-W1589 HydrophobicContact CD2-CB 4.37Å; F1529-W1589 HydrophobicContact CD2-CG 4.27Å; F1529-W1589 HydrophobicContact CE1-CB 3.65Å; F1529-W1589 HydrophobicContact CE1-CG 4.22Å; F1529-W1589 HydrophobicContact CE2-CB 3.96Å; F1529-W1589 AromaticContact CE2-CD1 3.71Å; F1529-W1589 HydrophobicContact CE2-CD2 4.22Å; F1529-W1589 AromaticContact CE2-CG 3.65Å; F1529-W1589 HydrophobicContact CE2-CG 3.65Å; F1529-W1589 HydrophobicContact CG-CB 4.43Å; F1529-W1589 HydrophobicContact CZ-CB 3.57Å; F1529-W1589 AromaticContact CZ-CD1 3.57Å; F1529-W1589 AromaticContact CZ-CG 3.62Å; F1529-W1589 HydrophobicContact CZ-CG 3.62Å; S1585-W1589 WeakPolarHBondContact O-CA 3.21Å; S1585-W1589 PolarHBondContact O-N 2.84Å; V1586-W1589 HydrophobicContact CB-CZ2 4.36Å; V1586-W1589 HydrophobicContact CG1-CH2 4.4Å; V1586-W1589 HydrophobicContact CG1-CZ2 3.84Å; V1586-W1589 HydrophobicContact CG2-CH2 4.18Å; V1586-W1589 HydrophobicContact CG2-CZ2 4.42Å; V1586-W1589 PolarHBondContact O-N 3.28Å; V1586-W1589 PolarHBondContact O-NE1 2.97Å |
| 1590 | T | 61.5 | Low | 68.4 | Low | 60 Ų | 60 | 47.2 Ų | 47.2 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | trans | -96.5 | 130.7 | 179.4 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | W1584 S1585 N1588 | W1584-T1590 CarbonylContact C-O 3.54Å; W1584-T1590 WeakPolarHBondContact CA-O 3.31Å; S1585-T1590 WeakPolarHBondContact CB-O 3.39Å; S1585-T1590 WeakPolarHBondContact CB-OG1 3.36Å; S1585-T1590 PolarHBondContact N-O 3.08Å; S1585-T1590 PolarHBondContact O-N 3.06Å; N1588-T1590 HydrophobicContact CB-CG2 3.88Å; N1588-T1590 PolarHBondContact O-N 2.95Å | ||
| 1591 | L | 69.3 | Low | 68.5 | Low | 71 Ų | 71 | 46.5 Ų | 46.5 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | trans | -63.2 | 137.3 | 166.2 | -175.9 | 67.8 | 0 | 0 | 0 | 110.9 | K1582 L1583 W1584 T1594 | K1582-L1591 HydrophobicContact CB-CD1 3.96Å; L1583-L1591 WeakPolarHBondContact O-CD1 3.49Å; W1584-L1591 HydrophobicContact CD2-CB 4.45Å; W1584-L1591 HydrophobicContact CD2-CD1 3.88Å; W1584-L1591 HydrophobicContact CE3-CB 3.87Å; W1584-L1591 HydrophobicContact CE3-CD1 4.13Å; W1584-L1591 HydrophobicContact CG-CD1 4.4Å; W1584-L1591 HydrophobicContact CH2-CB 4.33Å; W1584-L1591 HydrophobicContact CH2-CD1 4.14Å; W1584-L1591 HydrophobicContact CZ2-CD1 3.9Å; W1584-L1591 HydrophobicContact CZ3-CB 3.81Å; W1584-L1591 HydrophobicContact CZ3-CD1 4.27Å; L1591-T1594 HydrophobicContact CD1-CG2 3.95Å; L1591-T1594 HydrophobicContact CD2-CG2 3.88Å; L1591-T1594 HydrophobicContact CG-CG2 4.25Å | ||
| 1592 | L | 66.5 | Low | 68.1 | Low | 64 Ų | 64 | 49.8 Ų | 49.8 | 34% | 0.335 | 27% | 0.266 | S | S | . | . | trans | -118.9 | -35.4 | -176 | -61.4 | -177.7 | 0 | 0 | 0 | 114.3 | Y1569 L1583 W1584 | Y1569-L1592 HydrophobicContact CD1-CD1 3.68Å; Y1569-L1592 HydrophobicContact CD2-CD1 3.51Å; Y1569-L1592 HydrophobicContact CE1-CD1 3.37Å; Y1569-L1592 HydrophobicContact CE2-CD1 3.2Å; Y1569-L1592 HydrophobicContact CG-CD1 3.8Å; L1583-L1592 PolarHBondContact O-N 3.06Å; W1584-L1592 WeakPolarHBondContact O-CD1 3.43Å; W1584-L1592 WeakPolarHBondContact O-CG 3.13Å | ||
| 1593 | S | 63.5 | Low | 67.7 | Low | 20 Ų | 20 | 51.9 Ų | 51.9 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 149.1 | -179.8 | -156.1 | 0 | 0 | 0 | 0 | 111.6 | K1582 L1583 | K1582-S1593 CarbonylContact C-O 3.46Å; K1582-S1593 WeakPolarHBondContact CA-O 3.32Å; L1583-S1593 PolarHBondContact N-O 3.18Å; L1583-S1593 PolarHBondContact O-N 3.01Å |
| 1594 | T | 71.8 | Confident | 67.5 | Low | 68 Ų | 68 | 52.8 Ų | 52.8 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 129.2 | 175.6 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | V1581 K1582 L1591 | V1581-T1594 WeakPolarHBondContact O-CA 3.23Å; K1582-T1594 HydrophobicContact CB-CG2 3.91Å; K1582-T1594 HydrophobicContact CD-CG2 4.05Å; K1582-T1594 HydrophobicContact CG-CG2 3.78Å; L1591-T1594 HydrophobicContact CD1-CG2 3.95Å; L1591-T1594 HydrophobicContact CD2-CG2 3.88Å; L1591-T1594 HydrophobicContact CG-CG2 4.25Å |
| 1595 | V | 67.9 | Low | 66.8 | Low | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.4 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | E1580 V1581 I1597 L1673 | E1580-V1595 WeakPolarHBondContact CA-O 3.47Å; V1581-V1595 PolarHBondContact N-O 2.8Å; V1581-V1595 PolarHBondContact O-N 2.92Å; V1595-I1597 HydrophobicContact CG1-CD1 4.02Å; V1595-I1597 HydrophobicContact CG1-CG1 4.3Å; V1595-L1673 HydrophobicContact CG2-CB 3.63Å; V1595-L1673 HydrophobicContact CG2-CD1 4.47Å |
| 1596 | N | 68.5 | Low | 66.3 | Low | 90 Ų | 90 | 52 Ų | 52 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143 | 176.3 | -163.2 | -37.5 | 0 | 0 | 0 | 109.2 | T1578 E1580 | T1578-N1596 PolarHBondContact O-ND2 3.29Å; T1578-N1596 PolarHBondContact O-OD1 2.96Å; E1580-N1596 HydrophobicContact CG-CB 4.21Å |
| 1597 | I | 67.8 | Low | 65.7 | Low | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | trans | -137.6 | 137.2 | -174.9 | -53.3 | 92.4 | 0 | 0 | 0 | 110.5 | N1579 V1581 V1595 G1599 F1601 L1639 W1641 | N1579-I1597 VanDerWaalsContact CB-O 3.26Å; N1579-I1597 WeakPolarHBondContact CB-O 3.44Å; N1579-I1597 PolarHBondContact ND2-O 3.07Å; V1581-I1597 HydrophobicContact CG2-CD1 3.85Å; V1595-I1597 HydrophobicContact CG1-CD1 4.02Å; V1595-I1597 HydrophobicContact CG1-CG1 4.3Å; I1597-G1599 PolarHBondContact O-N 2.95Å; I1597-F1601 HydrophobicContact CB-CZ 3.96Å; I1597-F1601 HydrophobicContact CD1-CE2 4.08Å; I1597-F1601 HydrophobicContact CD1-CZ 4.08Å; I1597-F1601 HydrophobicContact CG1-CZ 4.14Å; I1597-F1601 HydrophobicContact CG2-CZ 4.01Å; I1597-L1639 HydrophobicContact CG2-CD1 4.44Å; I1597-W1641 HydrophobicContact CD1-CH2 3.87Å; I1597-W1641 HydrophobicContact CG1-CH2 3.99Å | ||
| 1598 | D | 61.2 | Low | 65.3 | Low | 131 Ų | 131 | 47 Ų | 47 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -76.8 | 50.6 | 176.7 | -65.6 | -53.9 | 0 | 0 | 0 | 113.6 | L1621 | D1598-L1621 PolarHBondContact O-N 2.74Š|
| 1599 | G | 62.6 | Low | 64.6 | Low | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 156.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1579 I1597 A1619 | N1579-G1599 PolarHBondContact ND2-O 3.06Å; N1579-G1599 VanDerWaalsContact ND2-O 3.13Å; I1597-G1599 PolarHBondContact O-N 2.95Å; G1599-A1619 WeakPolarHBondContact CA-O 3.45Å |
| 1600 | Y | 66.2 | Low | 63.7 | Low | 59 Ų | 59 | 39.9 Ų | 39.9 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 151 | 178.3 | 65.3 | -90.7 | 0 | 0 | 0 | 110.5 | N1602 G1618 A1619 E1693 | Y1600-N1602 WeakPolarHBondContact CE2-OD1 3.4Å; Y1600-G1618 WeakPolarHBondContact O-CA 3.49Å; Y1600-A1619 HydrophobicContact CE1-CB 3.94Å; Y1600-A1619 PolarHBondContact N-O 2.78Å; Y1600-A1619 PolarHBondContact O-N 3.15Å; Y1600-E1693 PolarHBondContact OH-OE1 2.81Å; Y1600-E1693 PolarHBondContact OH-OE2 3.21Å |
| 1601 | F | 68 | Low | 63.4 | Low | 43 Ų | 43 | 37 Ų | 37 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.1 | -173 | -53.7 | -51.9 | 0 | 0 | 0 | 111.6 | I1573 V1581 I1597 T1616 L1639 | I1573-F1601 HydrophobicContact CD1-CD2 4.41Å; V1581-F1601 HydrophobicContact CG2-CE2 4.2Å; I1597-F1601 HydrophobicContact CB-CZ 3.96Å; I1597-F1601 HydrophobicContact CD1-CE2 4.08Å; I1597-F1601 HydrophobicContact CD1-CZ 4.08Å; I1597-F1601 HydrophobicContact CG1-CZ 4.14Å; I1597-F1601 HydrophobicContact CG2-CZ 4.01Å; F1601-T1616 HydrophobicContact CB-CG2 3.89Å; F1601-T1616 VanDerWaalsContact CD1-CB 3.41Å; F1601-T1616 HydrophobicContact CD1-CG2 3.46Å; F1601-T1616 VanDerWaalsContact CD1-CG2 3.46Å; F1601-T1616 HydrophobicContact CD2-CG2 3.79Å; F1601-T1616 HydrophobicContact CE1-CG2 3.85Å; F1601-T1616 HydrophobicContact CE2-CG2 4.16Å; F1601-T1616 HydrophobicContact CG-CG2 3.41Å; F1601-T1616 VanDerWaalsContact CG-CG2 3.41Å; F1601-T1616 HydrophobicContact CZ-CG2 4.18Å; F1601-L1639 HydrophobicContact CE1-CD1 4.16Å |
| 1602 | N | 65.8 | Low | 63 | Low | 72 Ų | 72 | 33.7 Ų | 33.7 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -41.4 | 179.1 | -69.4 | -19 | 0 | 0 | 0 | 111.4 | Y1600 I1617 F1694 | Y1600-N1602 WeakPolarHBondContact CE2-OD1 3.4Å; N1602-I1617 PolarHBondContact N-O 3.26Å; N1602-F1694 PolarHBondContact ND2-O 2.9Å |
| 1603 | Q | 67 | Low | 62.9 | Low | 70 Ų | 70 | 30.8 Ų | 30.8 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.9 | -177.6 | -162.7 | 176.3 | 7.9 | 0 | 0 | 113.1 | L1605 I1617 | Q1603-L1605 HydrophobicContact CG-CG 4.14Å; Q1603-I1617 PolarHBondContact N-O 3.1Å; Q1603-I1617 PolarHBondContact O-N 3.48Å |
| 1604 | I | 72.4 | Confident | 63.3 | Low | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.092 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 79.6 | 170.1 | -68.2 | -179.8 | 0 | 0 | 0 | 106.5 | T1560 T1562 I1573 Q2024 R2041 | T1560-I1604 HydrophobicContact CG2-CD1 3.51Å; T1562-I1604 HydrophobicContact CG2-CD1 4.49Å; T1562-I1604 HydrophobicContact CG2-CG2 4.42Å; I1573-I1604 HydrophobicContact CD1-CD1 3.81Å; I1573-I1604 HydrophobicContact CD1-CG1 4.26Å; I1573-I1604 HydrophobicContact CG1-CD1 4.37Å; I1604-Q2024 PolarHBondContact O-OE1 3.09Å; I1604-R2041 HydrophobicContact CG2-CG 4.03Å |
| 1605 | L | 61.9 | Low | 63.2 | Low | 23 Ų | 23 | 26.8 Ų | 26.8 | 12% | 0.12 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.7 | 167.1 | -84.5 | -176.7 | 0 | 0 | 0 | 110.3 | Q1603 I1615 I1617 A1697 T2026 R2041 | Q1603-L1605 HydrophobicContact CG-CG 4.14Å; L1605-I1615 HydrophobicContact CB-CB 4.27Å; L1605-I1615 HydrophobicContact CB-CD1 4.31Å; L1605-I1615 PolarHBondContact N-O 2.99Å; L1605-I1615 CarbonylContact O-C 2.7Å; L1605-I1615 WeakPolarHBondContact O-CA 3.38Å; L1605-I1615 PolarHBondContact O-N 2.95Å; L1605-I1617 HydrophobicContact CD1-CD1 3.95Å; L1605-A1697 HydrophobicContact CD1-CB 4.06Å; L1605-T2026 HydrophobicContact CD2-CG2 4.02Å; L1605-R2041 PolarHBondContact O-NH1 2.86Å |
| 1606 | C | 64.8 | Low | 63.5 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 160.7 | 178.3 | -41.7 | 0 | 0 | 0 | 0 | 107.7 | P1608 Y1699 Q2024 T2026 R2041 | C1606-P1608 WeakPolarHBondContact O-CD 3.49Å; C1606-Y1699 PolarHBondContact O-OH 3Å; C1606-Q2024 WeakPolarHBondContact CB-O 3.42Å; C1606-Q2024 VanDerWaalsContact SG-CB 3.51Å; C1606-Q2024 PolarHBondContact SG-N 2.96Å; C1606-Q2024 PolarHBondContact SG-O 3.1Å; C1606-T2026 HydrophobicContact CB-CG2 3.62Å; C1606-T2026 VanDerWaalsContact CB-OG1 3.23Å; C1606-T2026 WeakPolarHBondContact CB-OG1 3.1Å; C1606-T2026 PolarHBondContact O-OG1 3.34Å; C1606-R2041 HydrophobicContact CB-CB 3.66Å; C1606-R2041 HydrophobicContact CB-CG 3.88Å; C1606-R2041 VanDerWaalsContact SG-CB 3.52Å; C1606-R2041 WeakPolarHBondContact SG-CG 3.33Å |
| 1607 | S | 58.9 | Low | 63.6 | Low | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 130.7 | 166.4 | 91.9 | 0 | 0 | 0 | 0 | 105.5 | L1609 F1610 E1613 T2026 G2039 T2040 I2088 | S1607-L1609 PolarHBondContact O-N 3.08Å; S1607-L1609 PolarHBondContact OG-N 2.94Å; S1607-F1610 PolarHBondContact OG-N 3.24Å; S1607-F1610 PolarHBondContact OG-O 2.82Å; S1607-E1613 WeakPolarHBondContact CA-O 3.38Å; S1607-E1613 WeakPolarHBondContact CB-O 3.47Å; S1607-E1613 PolarHBondContact N-O 2.91Å; S1607-E1613 WeakPolarHBondContact OG-CB 3.27Å; S1607-E1613 PolarHBondContact OG-O 3.39Å; S1607-T2026 PolarHBondContact O-OG1 2.87Å; S1607-G2039 CarbonylContact O-C 3.55Å; S1607-G2039 VanDerWaalsContact O-O 3.08Å; S1607-T2040 CarbonylContact C-O 3.44Å; S1607-T2040 WeakPolarHBondContact CA-O 3.45Å; S1607-T2040 VanDerWaalsContact CB-O 3.28Å; S1607-T2040 WeakPolarHBondContact CB-O 3.18Å; S1607-T2040 PolarHBondContact N-O 3.33Å; S1607-T2040 CarbonylContact O-C 3.45Å; S1607-T2040 WeakPolarHBondContact O-CA 3.47Å; S1607-T2040 PolarHBondContact O-N 3.27Å; S1607-T2040 PolarHBondContact OG-O 3.46Å; S1607-I2088 WeakPolarHBondContact CA-O 3.23Å; S1607-I2088 WeakPolarHBondContact CB-O 3.43Å |
| 1608 | P | 56.6 | Low | 63.8 | Low | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -58.3 | 4.3 | 177.7 | 13.6 | -29.8 | 0 | 0 | 0 | 116.2 | C1606 Y1699 T2026 V2027 G2039 I2088 L2089 | C1606-P1608 WeakPolarHBondContact O-CD 3.49Å; P1608-Y1699 HydrophobicContact CB-CE2 4.39Å; P1608-Y1699 WeakPolarHBondContact CD-OH 3.44Å; P1608-Y1699 HydrophobicContact CG-CD2 4.06Å; P1608-Y1699 HydrophobicContact CG-CE2 3.57Å; P1608-T2026 VanDerWaalsContact CA-OG1 3.27Å; P1608-T2026 WeakPolarHBondContact CA-OG1 3.48Å; P1608-V2027 VanDerWaalsContact CA-N 3.32Å; P1608-V2027 HydrophobicContact CB-CB 3.47Å; P1608-V2027 VanDerWaalsContact CB-CB 3.47Å; P1608-V2027 HydrophobicContact CB-CG1 3.69Å; P1608-G2039 CarbonylContact C-O 3.5Å; P1608-G2039 PolarHBondContact O-N 2.94Å; P1608-G2039 VanDerWaalsContact O-N 3.13Å; P1608-I2088 WeakPolarHBondContact CD-O 2.93Å; P1608-L2089 WeakPolarHBondContact CG-O 3.41Å |
| 1609 | L | 46.1 | Very low | 63.9 | Low | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | S | Bend | -152.8 | -57.9 | -129.9 | -131.6 | -151.1 | 0 | 0 | 0 | 118 | S1607 G1611 G2039 L2045 I2088 C2090 L2091 A2136 | S1607-L1609 PolarHBondContact O-N 3.08Å; S1607-L1609 PolarHBondContact OG-N 2.94Å; L1609-G1611 PolarHBondContact O-N 2.87Å; L1609-G2039 VanDerWaalsContact N-C 3.33Å; L1609-L2045 VanDerWaalsContact O-CD2 3.29Å; L1609-L2045 WeakPolarHBondContact O-CD2 3.37Å; L1609-I2088 HydrophobicContact CB-CB 3.87Å; L1609-I2088 HydrophobicContact CB-CD1 3.57Å; L1609-I2088 HydrophobicContact CB-CG1 3.64Å; L1609-I2088 WeakPolarHBondContact CB-O 3.41Å; L1609-I2088 HydrophobicContact CD1-CB 3.7Å; L1609-I2088 HydrophobicContact CD1-CD1 3.67Å; L1609-I2088 HydrophobicContact CD1-CG1 4.13Å; L1609-I2088 HydrophobicContact CD1-CG2 4.2Å; L1609-I2088 HydrophobicContact CG-CB 4.37Å; L1609-I2088 HydrophobicContact CG-CD1 3.94Å; L1609-I2088 HydrophobicContact CG-CG1 4.4Å; L1609-C2090 WeakPolarHBondContact CD1-O 3.48Å; L1609-L2091 HydrophobicContact CD1-CB 4.04Å; L1609-L2091 HydrophobicContact CD1-CD1 4.41Å; L1609-L2091 HydrophobicContact CD1-CG 3.72Å; L1609-L2091 HydrophobicContact CD2-CB 3.52Å; L1609-L2091 HydrophobicContact CD2-CD1 3.55Å; L1609-L2091 HydrophobicContact CD2-CG 3.55Å; L1609-L2091 HydrophobicContact CG-CB 3.95Å; L1609-L2091 HydrophobicContact CG-CD1 3.59Å; L1609-L2091 HydrophobicContact CG-CG 3.45Å; L1609-L2091 VanDerWaalsContact CG-CG 3.45Å; L1609-A2136 HydrophobicContact CD1-CB 4.23Å | |
| 1610 | F | 49 | Very low | 63.9 | Low | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -93.9 | 96.3 | 167.3 | -86.9 | -26.9 | 0 | 0 | 0 | 97.6 | S1607 N1612 E1613 T2040 L2044 L2045 L2079 I2088 A2136 W2146 | S1607-F1610 PolarHBondContact OG-N 3.24Å; S1607-F1610 PolarHBondContact OG-O 2.82Å; F1610-N1612 CarbonylContact O-C 3.5Å; F1610-N1612 PolarHBondContact O-N 2.99Å; F1610-E1613 HydrophobicContact CB-CB 3.86Å; F1610-E1613 HydrophobicContact CB-CG 4.37Å; F1610-E1613 VanDerWaalsContact CB-OE1 3.26Å; F1610-E1613 WeakPolarHBondContact CB-OE1 3.04Å; F1610-E1613 VanDerWaalsContact CD2-CD 3.46Å; F1610-E1613 WeakPolarHBondContact CD2-OE1 3.21Å; F1610-E1613 VanDerWaalsContact CD2-OE2 3.22Å; F1610-E1613 WeakPolarHBondContact CD2-OE2 3.36Å; F1610-E1613 WeakPolarHBondContact CG-OE1 3.35Å; F1610-E1613 WeakPolarHBondContact O-CB 3.26Å; F1610-E1613 PolarHBondContact O-N 2.69Å; F1610-T2040 CarbonylContact O-C 3.57Å; F1610-T2040 PolarHBondContact O-N 2.67Å; F1610-T2040 VanDerWaalsContact O-N 3.16Å; F1610-T2040 VanDerWaalsContact O-O 3.12Å; F1610-L2044 CarbonylContact C-O 3.31Å; F1610-L2044 WeakPolarHBondContact CA-O 3.11Å; F1610-L2044 VanDerWaalsContact CB-C 3.44Å; F1610-L2044 WeakPolarHBondContact CB-O 3.05Å; F1610-L2045 VanDerWaalsContact CD1-CA 3.48Å; F1610-L2045 HydrophobicContact CD1-CB 3.38Å; F1610-L2045 HydrophobicContact CD1-CD1 4.18Å; F1610-L2045 HydrophobicContact CD1-CG 3.41Å; F1610-L2045 VanDerWaalsContact CD1-CG 3.41Å; F1610-L2045 HydrophobicContact CE1-CB 3.65Å; F1610-L2045 HydrophobicContact CE1-CD1 3.75Å; F1610-L2045 HydrophobicContact CE1-CG 3.54Å; F1610-L2079 HydrophobicContact CD2-CD1 4.19Å; F1610-L2079 HydrophobicContact CE2-CD1 3.41Å; F1610-L2079 VanDerWaalsContact CE2-CD1 3.41Å; F1610-L2079 HydrophobicContact CE2-CG 4.38Å; F1610-L2079 HydrophobicContact CZ-CD1 3.98Å; F1610-I2088 VanDerWaalsContact CA-CD1 3.45Å; F1610-I2088 HydrophobicContact CB-CD1 3.27Å; F1610-I2088 HydrophobicContact CB-CG1 3.25Å; F1610-I2088 HydrophobicContact CD1-CD1 3.12Å; F1610-I2088 HydrophobicContact CD1-CG1 4.04Å; F1610-I2088 HydrophobicContact CD2-CB 4.24Å; F1610-I2088 HydrophobicContact CD2-CD1 3.16Å; F1610-I2088 HydrophobicContact CD2-CG1 3.18Å; F1610-I2088 HydrophobicContact CD2-CG2 4.19Å; F1610-I2088 HydrophobicContact CE1-CD1 3.52Å; F1610-I2088 HydrophobicContact CE2-CB 4.49Å; F1610-I2088 HydrophobicContact CE2-CD1 3.5Å; F1610-I2088 VanDerWaalsContact CE2-CD1 3.5Å; F1610-I2088 HydrophobicContact CE2-CG1 3.78Å; F1610-I2088 HydrophobicContact CE2-CG2 3.95Å; F1610-I2088 HydrophobicContact CG-CD1 2.89Å; F1610-I2088 HydrophobicContact CG-CG1 3.25Å; F1610-I2088 HydrophobicContact CZ-CD1 3.67Å; F1610-I2088 HydrophobicContact CZ-CG1 4.46Å; F1610-A2136 HydrophobicContact CE1-CB 4.26Å; F1610-A2136 HydrophobicContact CZ-CB 4.05Å; F1610-W2146 HydrophobicContact CE1-CZ2 4.2Å; F1610-W2146 AromaticContact CZ-CZ2 3.97Å; F1610-W2146 HydrophobicContact CZ-CZ2 3.97Å; F1610-W2146 AromaticContact CZ-NE1 3.71Å |
| 1611 | G | 54.9 | Low | 63.4 | Low | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.9 | 35.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | L1609 L2018 V2038 T2040 L2044 | L1609-G1611 PolarHBondContact O-N 2.87Å; G1611-L2018 WeakPolarHBondContact O-CD2 3.4Å; G1611-V2038 PolarHBondContact N-O 3.16Å; G1611-T2040 VanDerWaalsContact CA-N 3.32Å; G1611-T2040 WeakPolarHBondContact CA-OG1 3.22Å; G1611-T2040 PolarHBondContact O-OG1 3.08Å; G1611-L2044 CarbonylContact C-O 3.52Å; G1611-L2044 WeakPolarHBondContact CA-O 3.21Å; G1611-L2044 PolarHBondContact N-O 3.34Å |
| 1612 | N | 61.3 | Low | 62.7 | Low | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | -0.8 | 138.9 | -110.4 | -18.2 | 0 | 0 | 0 | 115.5 | F1610 F1643 L2018 L2021 D2023 T2040 R2041 N2042 G2043 L2044 | F1610-N1612 CarbonylContact O-C 3.5Å; F1610-N1612 PolarHBondContact O-N 2.99Å; N1612-F1643 HydrophobicContact CB-CE2 4.12Å; N1612-F1643 HydrophobicContact CB-CZ 3.95Å; N1612-L2018 WeakPolarHBondContact OD1-CD1 2.96Å; N1612-L2021 WeakPolarHBondContact ND2-CD1 3.37Å; N1612-L2021 VanDerWaalsContact OD1-CD1 3.31Å; N1612-L2021 WeakPolarHBondContact OD1-CD1 3.48Å; N1612-D2023 WeakPolarHBondContact CA-OD2 3.45Å; N1612-D2023 PolarHBondContact OD1-OD2 2.68Å; N1612-T2040 VanDerWaalsContact C-C 3.46Å; N1612-T2040 WeakPolarHBondContact CA-OG1 3.19Å; N1612-T2040 PolarHBondContact N-OG1 3.07Å; N1612-R2041 CarbonylContact O-C 3.41Å; N1612-R2041 WeakPolarHBondContact O-CA 3.2Å; N1612-R2041 PolarHBondContact O-N 3.09Å; N1612-N2042 CarbonylContact O-C 3.45Å; N1612-N2042 WeakPolarHBondContact O-CA 3.28Å; N1612-N2042 PolarHBondContact O-N 2.85Å; N1612-N2042 PolarHBondContact O-ND2 3.07Å; N1612-G2043 VanDerWaalsContact CB-N 3.3Å; N1612-G2043 PolarHBondContact O-N 3.25Å; N1612-L2044 HydrophobicContact CB-CB 3.73Å; N1612-L2044 HydrophobicContact CB-CD1 4.12Å; N1612-L2044 HydrophobicContact CB-CG 3.78Å; N1612-L2044 PolarHBondContact N-O 3.03Å; N1612-L2044 WeakPolarHBondContact ND2-CD1 3.22Å; N1612-L2044 WeakPolarHBondContact ND2-CG 2.63Å |
| 1613 | E | 65.7 | Low | 61.9 | Low | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | trans | -103 | 126.6 | -150 | -125.2 | 161.8 | -88.5 | 0 | 0 | 126.1 | S1607 F1610 W1641 K1642 T2040 R2041 N2042 G2043 P2087 I2088 | S1607-E1613 WeakPolarHBondContact CA-O 3.38Å; S1607-E1613 WeakPolarHBondContact CB-O 3.47Å; S1607-E1613 PolarHBondContact N-O 2.91Å; S1607-E1613 WeakPolarHBondContact OG-CB 3.27Å; S1607-E1613 PolarHBondContact OG-O 3.39Å; F1610-E1613 HydrophobicContact CB-CB 3.86Å; F1610-E1613 HydrophobicContact CB-CG 4.37Å; F1610-E1613 VanDerWaalsContact CB-OE1 3.26Å; F1610-E1613 WeakPolarHBondContact CB-OE1 3.04Å; F1610-E1613 VanDerWaalsContact CD2-CD 3.46Å; F1610-E1613 WeakPolarHBondContact CD2-OE1 3.21Å; F1610-E1613 VanDerWaalsContact CD2-OE2 3.22Å; F1610-E1613 WeakPolarHBondContact CD2-OE2 3.36Å; F1610-E1613 WeakPolarHBondContact CG-OE1 3.35Å; F1610-E1613 WeakPolarHBondContact O-CB 3.26Å; F1610-E1613 PolarHBondContact O-N 2.69Å; E1613-W1641 CarbonylContact C-O 3.56Å; E1613-W1641 WeakPolarHBondContact CG-O 3.5Å; E1613-K1642 HydrophobicContact CG-CB 3.48Å; E1613-K1642 VanDerWaalsContact CG-CB 3.48Å; E1613-K1642 HydrophobicContact CG-CG 3.89Å; E1613-K1642 WeakPolarHBondContact OE1-CG 3.43Å; E1613-T2040 CarbonylContact C-O 3.54Å; E1613-T2040 VanDerWaalsContact CA-O 3.27Å; E1613-T2040 WeakPolarHBondContact CA-O 3.49Å; E1613-T2040 PolarHBondContact N-O 3.25Å; E1613-T2040 CarbonylContact O-C 3.57Å; E1613-R2041 VanDerWaalsContact C-C 3.41Å; E1613-R2041 WeakPolarHBondContact O-CA 3.5Å; E1613-R2041 PolarHBondContact O-N 2.77Å; E1613-N2042 VanDerWaalsContact CA-CA 3.42Å; E1613-N2042 VanDerWaalsContact N-N 3.14Å; E1613-G2043 VanDerWaalsContact OE1-CA 3.27Å; E1613-G2043 WeakPolarHBondContact OE1-CA 3.5Å; E1613-P2087 HydrophobicContact CB-CB 4.1Å; E1613-P2087 HydrophobicContact CG-CB 4.11Å; E1613-P2087 VanDerWaalsContact OE2-C 3.3Å; E1613-P2087 WeakPolarHBondContact OE2-CA 3.22Å; E1613-I2088 PolarHBondContact OE2-N 3.33Å; E1613-I2088 VanDerWaalsContact OE2-N 3.17Å | ||
| 1614 | F | 71.6 | Confident | 61 | Low | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 153.6 | -161.6 | 82.2 | -107.9 | 0 | 0 | 0 | 123.5 | T1616 F1640 W1641 L1673 R2041 N2042 P2087 | F1614-T1616 HydrophobicContact CD2-CG2 4.29Å; F1614-T1616 HydrophobicContact CE2-CG2 3.79Å; F1614-F1640 CarbonylContact O-C 3.57Å; F1614-F1640 WeakPolarHBondContact O-CA 3.46Å; F1614-W1641 HydrophobicContact CB-CB 4.23Å; F1614-W1641 HydrophobicContact CD1-CB 3.42Å; F1614-W1641 VanDerWaalsContact CD1-CB 3.42Å; F1614-W1641 HydrophobicContact CD1-CD2 4.26Å; F1614-W1641 AromaticContact CD1-CG 3.78Å; F1614-W1641 HydrophobicContact CD1-CG 3.78Å; F1614-W1641 HydrophobicContact CD2-CB 3.71Å; F1614-W1641 AromaticContact CD2-CD1 3.02Å; F1614-W1641 AromaticContact CD2-CD2 3.81Å; F1614-W1641 HydrophobicContact CD2-CD2 3.81Å; F1614-W1641 AromaticContact CD2-CE2 3.98Å; F1614-W1641 AromaticContact CD2-CG 3.27Å; F1614-W1641 HydrophobicContact CD2-CG 3.27Å; F1614-W1641 AromaticContact CD2-NE1 3.49Å; F1614-W1641 HydrophobicContact CE1-CB 3.77Å; F1614-W1641 AromaticContact CE1-CD2 3.74Å; F1614-W1641 HydrophobicContact CE1-CD2 3.74Å; F1614-W1641 AromaticContact CE1-CE3 3.75Å; F1614-W1641 HydrophobicContact CE1-CE3 3.75Å; F1614-W1641 AromaticContact CE1-CG 3.78Å; F1614-W1641 HydrophobicContact CE1-CG 3.78Å; F1614-W1641 HydrophobicContact CE2-CB 4.03Å; F1614-W1641 AromaticContact CE2-CD1 3.17Å; F1614-W1641 AromaticContact CE2-CD2 3.2Å; F1614-W1641 HydrophobicContact CE2-CD2 3.2Å; F1614-W1641 AromaticContact CE2-CE2 3.22Å; F1614-W1641 AromaticContact CE2-CE3 3.88Å; F1614-W1641 HydrophobicContact CE2-CE3 3.88Å; F1614-W1641 AromaticContact CE2-CG 3.25Å; F1614-W1641 HydrophobicContact CE2-CG 3.25Å; F1614-W1641 AromaticContact CE2-CZ2 3.97Å; F1614-W1641 HydrophobicContact CE2-CZ2 3.97Å; F1614-W1641 AromaticContact CE2-NE1 3.16Å; F1614-W1641 HydrophobicContact CG-CB 3.39Å; F1614-W1641 AromaticContact CG-CD1 3.7Å; F1614-W1641 HydrophobicContact CG-CD2 4.32Å; F1614-W1641 AromaticContact CG-CG 3.56Å; F1614-W1641 HydrophobicContact CG-CG 3.56Å; F1614-W1641 HydrophobicContact CZ-CB 4.08Å; F1614-W1641 AromaticContact CZ-CD1 3.94Å; F1614-W1641 AromaticContact CZ-CD2 3.17Å; F1614-W1641 HydrophobicContact CZ-CD2 3.17Å; F1614-W1641 AromaticContact CZ-CE2 3.58Å; F1614-W1641 AromaticContact CZ-CE3 3.33Å; F1614-W1641 HydrophobicContact CZ-CE3 3.33Å; F1614-W1641 AromaticContact CZ-CG 3.53Å; F1614-W1641 HydrophobicContact CZ-CG 3.53Å; F1614-W1641 HydrophobicContact CZ-CH2 4.29Å; F1614-W1641 HydrophobicContact CZ-CZ2 4.14Å; F1614-W1641 AromaticContact CZ-CZ3 3.92Å; F1614-W1641 HydrophobicContact CZ-CZ3 3.92Å; F1614-W1641 AromaticContact CZ-NE1 3.98Å; F1614-W1641 PolarHBondContact N-O 3.25Å; F1614-W1641 PolarHBondContact O-N 3.22Å; F1614-L1673 HydrophobicContact CE1-CD2 4.38Å; F1614-R2041 VanDerWaalsContact CB-C 3.47Å; F1614-R2041 HydrophobicContact CB-CB 3.81Å; F1614-R2041 HydrophobicContact CB-CG 3.28Å; F1614-R2041 VanDerWaalsContact CD1-CD 3.44Å; F1614-R2041 HydrophobicContact CD1-CG 4.29Å; F1614-R2041 VanDerWaalsContact CD1-O 3.28Å; F1614-R2041 WeakPolarHBondContact CD1-O 3.4Å; F1614-R2041 VanDerWaalsContact CE2-NH2 3.34Å; F1614-R2041 VanDerWaalsContact CG-CD 3.49Å; F1614-R2041 HydrophobicContact CG-CG 4.04Å; F1614-R2041 VanDerWaalsContact CG-CZ 3.5Å; F1614-R2041 VanDerWaalsContact CG-NE 3.33Å; F1614-N2042 HydrophobicContact CD1-CB 3.65Å; F1614-N2042 HydrophobicContact CE1-CB 4.08Å; F1614-P2087 VanDerWaalsContact O-CG 3.32Å; F1614-P2087 WeakPolarHBondContact O-CG 3.46Å |
| 1615 | I | 69.1 | Low | 59.6 | Low | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.3 | 156.1 | -38.5 | 178.8 | 0 | 0 | 0 | 110.9 | L1605 I1617 I1638 L1639 F1640 R2041 P2087 L2089 | L1605-I1615 HydrophobicContact CB-CB 4.27Å; L1605-I1615 HydrophobicContact CB-CD1 4.31Å; L1605-I1615 PolarHBondContact N-O 2.99Å; L1605-I1615 CarbonylContact O-C 2.7Å; L1605-I1615 WeakPolarHBondContact O-CA 3.38Å; L1605-I1615 PolarHBondContact O-N 2.95Å; I1615-I1617 HydrophobicContact CG2-CG1 3.87Å; I1615-I1638 HydrophobicContact CG2-CG2 3.46Å; I1615-I1638 VanDerWaalsContact CG2-CG2 3.46Å; I1615-L1639 CarbonylContact C-O 3.49Å; I1615-L1639 VanDerWaalsContact CA-O 3.23Å; I1615-L1639 WeakPolarHBondContact CA-O 3.23Å; I1615-F1640 HydrophobicContact CD1-CE1 4.37Å; I1615-F1640 HydrophobicContact CG1-CD1 4.2Å; I1615-F1640 HydrophobicContact CG1-CE1 4.21Å; I1615-F1640 HydrophobicContact CG2-CD1 4.24Å; I1615-F1640 HydrophobicContact CG2-CE1 4.18Å; I1615-R2041 PolarHBondContact O-NH1 3.18Å; I1615-R2041 PolarHBondContact O-NH2 3.49Å; I1615-P2087 HydrophobicContact CG1-CG 4.25Å; I1615-L2089 HydrophobicContact CD1-CD1 4.37Å; I1615-L2089 HydrophobicContact CD1-CD2 3.75Å; I1615-L2089 HydrophobicContact CG1-CD2 3.84Å |
| 1616 | T | 74.3 | Confident | 58.5 | Low | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.1 | 151.5 | 27.4 | 0 | 0 | 0 | 0 | 109.8 | F1601 F1614 L1639 W1641 | F1601-T1616 HydrophobicContact CB-CG2 3.89Å; F1601-T1616 VanDerWaalsContact CD1-CB 3.41Å; F1601-T1616 HydrophobicContact CD1-CG2 3.46Å; F1601-T1616 VanDerWaalsContact CD1-CG2 3.46Å; F1601-T1616 HydrophobicContact CD2-CG2 3.79Å; F1601-T1616 HydrophobicContact CE1-CG2 3.85Å; F1601-T1616 HydrophobicContact CE2-CG2 4.16Å; F1601-T1616 HydrophobicContact CG-CG2 3.41Å; F1601-T1616 VanDerWaalsContact CG-CG2 3.41Å; F1601-T1616 HydrophobicContact CZ-CG2 4.18Å; F1614-T1616 HydrophobicContact CD2-CG2 4.29Å; F1614-T1616 HydrophobicContact CE2-CG2 3.79Å; T1616-L1639 PolarHBondContact N-O 2.91Å; T1616-L1639 PolarHBondContact O-N 2.95Å; T1616-L1639 WeakPolarHBondContact OG1-CB 3.43Å; T1616-W1641 PolarHBondContact OG1-NE1 2.78Å |
| 1617 | I | 70.5 | Confident | 57.5 | Low | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.7 | 172 | -57.1 | 179.3 | 0 | 0 | 0 | 107.9 | N1602 Q1603 L1605 I1615 F1694 A1697 | N1602-I1617 PolarHBondContact N-O 3.26Å; Q1603-I1617 PolarHBondContact N-O 3.1Å; Q1603-I1617 PolarHBondContact O-N 3.48Å; L1605-I1617 HydrophobicContact CD1-CD1 3.95Å; I1615-I1617 HydrophobicContact CG2-CG1 3.87Å; I1617-F1694 HydrophobicContact CG2-CB 3.55Å; I1617-A1697 HydrophobicContact CD1-CB 3.58Å |
| 1618 | G | 71.4 | Confident | 56.7 | Low | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | -154.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1600 S1637 | Y1600-G1618 WeakPolarHBondContact O-CA 3.49Å; G1618-S1637 PolarHBondContact N-O 3.15Å; G1618-S1637 PolarHBondContact O-N 2.91Å |
| 1619 | A | 65 | Low | 55.5 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | G1599 Y1600 E1635 E1693 | G1599-A1619 WeakPolarHBondContact CA-O 3.45Å; Y1600-A1619 HydrophobicContact CE1-CB 3.94Å; Y1600-A1619 PolarHBondContact N-O 2.78Å; Y1600-A1619 PolarHBondContact O-N 3.15Å; A1619-E1635 WeakPolarHBondContact CA-O 3.5Å; A1619-E1693 HydrophobicContact CB-CG 4.19Å |
| 1620 | Q | 62 | Low | 55 | Low | 57 Ų | 57 | 55.8 Ų | 55.8 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.9 | 173.7 | -167.9 | 177.3 | 2.1 | 0 | 0 | 109.7 | N1622 E1635 S1637 | Q1620-N1622 WeakPolarHBondContact CG-OD1 3.47Å; Q1620-N1622 PolarHBondContact O-N 2.84Å; Q1620-E1635 HydrophobicContact CB-CB 4.49Å; Q1620-E1635 PolarHBondContact N-O 3.22Å; Q1620-E1635 PolarHBondContact O-N 2.96Å; Q1620-E1635 VanDerWaalsContact O-N 3.08Å; Q1620-S1637 PolarHBondContact N-OG 3.17Å |
| 1621 | L | 54.6 | Low | 54.4 | Low | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 79.8 | -178 | -73.7 | 171.3 | 0 | 0 | 0 | 111.3 | D1598 Q1623 | D1598-L1621 PolarHBondContact O-N 2.74Å; L1621-Q1623 PolarHBondContact O-N 2.89Å |
| 1622 | N | 54.3 | Low | 53.9 | Low | 41 Ų | 41 | 65.7 Ų | 65.7 | 22% | 0.219 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 117.9 | -178.9 | -77.2 | 2.4 | 0 | 0 | 0 | 111.3 | Q1620 N1633 E1635 | Q1620-N1622 WeakPolarHBondContact CG-OD1 3.47Å; Q1620-N1622 PolarHBondContact O-N 2.84Å; N1622-N1633 PolarHBondContact N-O 2.75Å; N1622-N1633 PolarHBondContact O-N 2.98Å; N1622-E1635 PolarHBondContact ND2-OE1 3.48Å; N1622-E1635 PolarHBondContact ND2-OE2 3.01Å; N1622-E1635 VanDerWaalsContact ND2-OE2 3.16Å |
| 1623 | Q | 48.9 | Very low | 53.2 | Low | 133 Ų | 133 | 67.1 Ų | 67.1 | 62% | 0.621 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.5 | 171.8 | -67.9 | -175.9 | 51 | 0 | 0 | 110 | L1621 L1632 | L1621-Q1623 PolarHBondContact O-N 2.89Å; Q1623-L1632 HydrophobicContact CG-CD2 3.78Å |
| 1624 | I | 47.8 | Very low | 52.6 | Low | 73 Ų | 73 | 69.6 Ų | 69.6 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 104.8 | 172.6 | -55.9 | -173.1 | 0 | 0 | 0 | 109 | N1626 N1633 | I1624-N1626 VanDerWaalsContact C-N 3.3Å; I1624-N1626 HydrophobicContact CG2-CB 4.34Å; I1624-N1626 PolarHBondContact O-N 3.26Å; I1624-N1626 VanDerWaalsContact O-N 3.08Å; I1624-N1633 WeakPolarHBondContact CD1-ND2 3.5Å |
| 1625 | D | 42 | Very low | 51.9 | Low | 110 Ų | 110 | 73.3 Ų | 73.3 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | trans | -82.4 | 69.5 | 175 | -91.6 | -25.6 | 0 | 0 | 0 | 111.7 | K1630 | D1625-K1630 VanDerWaalsContact OD1-CE 3.26Å; D1625-K1630 WeakPolarHBondContact OD1-CE 3.44Å; D1625-K1630 WeakPolarHBondContact OD1-CG 3.39Å; D1625-K1630 IonicContact OD1-NZ 3.8Å; D1625-K1630 PolarHBondContact OD1-NZ 3.3Å; D1625-K1630 IonicContact OD2-NZ 3.47Å; D1625-K1630 PolarHBondContact OD2-NZ 3.35Å | ||
| 1626 | N | 39.9 | Very low | 51.7 | Low | 123 Ų | 123 | 73.6 Ų | 73.6 | 66% | 0.658 | 38% | 0.379 | S | S | * | . | trans | -90.2 | 111.3 | 168.5 | -83 | -14.6 | 0 | 0 | 0 | 110.5 | I1624 N1628 V1629 | I1624-N1626 VanDerWaalsContact C-N 3.3Å; I1624-N1626 HydrophobicContact CG2-CB 4.34Å; I1624-N1626 PolarHBondContact O-N 3.26Å; I1624-N1626 VanDerWaalsContact O-N 3.08Å; N1626-N1628 PolarHBondContact O-N 3.03Å; N1626-V1629 PolarHBondContact O-N 3.17Å | ||
| 1627 | D | 43.3 | Very low | 51.4 | Low | 157 Ų | 157 | 73.9 Ų | 73.9 | 84% | 0.84 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 17.3 | 70.4 | 170.3 | -77.3 | -18.7 | 0 | 0 | 0 | 116.9 | ||
| 1628 | N | 42 | Very low | 51.6 | Low | 163 Ų | 163 | 74.2 Ų | 74.2 | 87% | 0.872 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 9.2 | 167.9 | -47 | -87.9 | 0 | 0 | 0 | 118 | N1626 | N1626-N1628 PolarHBondContact O-N 3.03Š|
| 1629 | V | 32.3 | Very low | 51.6 | Low | 97 Ų | 97 | 74.7 Ų | 74.7 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | trans | -124.1 | 96.2 | 167.7 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | N1626 L1631 | N1626-V1629 PolarHBondContact O-N 3.17Å; V1629-L1631 HydrophobicContact CG1-CD1 4.17Å; V1629-L1631 HydrophobicContact CG1-CG 4.2Å; V1629-L1631 PolarHBondContact O-N 3.48Å | ||
| 1630 | K | 35.3 | Very low | 52.1 | Low | 132 Ų | 132 | 74.8 Ų | 74.8 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | trans | -68.1 | 97.9 | 171.3 | -82.1 | -174.8 | 173.9 | -66.3 | 0 | 110.8 | D1625 | D1625-K1630 VanDerWaalsContact OD1-CE 3.26Å; D1625-K1630 WeakPolarHBondContact OD1-CE 3.44Å; D1625-K1630 WeakPolarHBondContact OD1-CG 3.39Å; D1625-K1630 IonicContact OD1-NZ 3.8Å; D1625-K1630 PolarHBondContact OD1-NZ 3.3Å; D1625-K1630 IonicContact OD2-NZ 3.47Å; D1625-K1630 PolarHBondContact OD2-NZ 3.35Å | ||
| 1631 | L | 35.3 | Very low | 52.5 | Low | 108 Ų | 108 | 72.1 Ų | 72.1 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.9 | 166 | -80.6 | 150.2 | 0 | 0 | 0 | 109.3 | V1629 | V1629-L1631 HydrophobicContact CG1-CD1 4.17Å; V1629-L1631 HydrophobicContact CG1-CG 4.2Å; V1629-L1631 PolarHBondContact O-N 3.48Å |
| 1632 | L | 44.2 | Very low | 53.3 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 108.2 | 168 | -77.6 | 160.4 | 0 | 0 | 0 | 107.1 | Q1623 | Q1623-L1632 HydrophobicContact CG-CD2 3.78Å |
| 1633 | N | 46.5 | Very low | 53.7 | Low | 31 Ų | 31 | 67.6 Ų | 67.6 | 17% | 0.166 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.7 | 178 | -71.4 | -3.5 | 0 | 0 | 0 | 109.2 | N1622 I1624 | N1622-N1633 PolarHBondContact N-O 2.75Å; N1622-N1633 PolarHBondContact O-N 2.98Å; I1624-N1633 WeakPolarHBondContact CD1-ND2 3.5Å |
| 1634 | H | 53.4 | Low | 54 | Low | 55 Ų | 55 | 63.1 Ų | 63.1 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112 | 172.3 | -70.6 | -121.4 | 0 | 0 | 0 | 108.3 | E1693 | H1634-E1693 IonicContact CE1-OE1 2.71Å; H1634-E1693 IonicContact CG-OE1 2.69Å; H1634-E1693 IonicContact ND1-OE1 3.57Å; H1634-E1693 PolarHBondContact ND1-OE1 2.89Å |
| 1635 | E | 58.8 | Low | 54.2 | Low | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.4 | 168.9 | -86.8 | -179.5 | -151.2 | 0 | 0 | 109.9 | A1619 Q1620 N1622 S1637 K1677 | A1619-E1635 WeakPolarHBondContact CA-O 3.5Å; Q1620-E1635 HydrophobicContact CB-CB 4.49Å; Q1620-E1635 PolarHBondContact N-O 3.22Å; Q1620-E1635 PolarHBondContact O-N 2.96Å; Q1620-E1635 VanDerWaalsContact O-N 3.08Å; N1622-E1635 PolarHBondContact ND2-OE1 3.48Å; N1622-E1635 PolarHBondContact ND2-OE2 3.01Å; N1622-E1635 VanDerWaalsContact ND2-OE2 3.16Å; E1635-S1637 PolarHBondContact O-N 3.07Å; E1635-S1637 VanDerWaalsContact O-N 3.13Å; E1635-K1677 IonicContact OE2-NZ 3.27Å; E1635-K1677 PolarHBondContact OE2-NZ 2.96Å |
| 1636 | S | 64.7 | Low | 54.1 | Low | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.1 | 115.6 | 162.6 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | T1692 | S1636-T1692 VanDerWaalsContact CB-O 3.27Å; S1636-T1692 WeakPolarHBondContact CB-O 3.33Å; S1636-T1692 PolarHBondContact N-O 3.35Å; S1636-T1692 PolarHBondContact OG-OG1 3.33Å |
| 1637 | S | 68.2 | Low | 53.9 | Low | 8 Ų | 8 | 65.9 Ų | 65.9 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.8 | -173.2 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | G1618 Q1620 E1635 | G1618-S1637 PolarHBondContact N-O 3.15Å; G1618-S1637 PolarHBondContact O-N 2.91Å; Q1620-S1637 PolarHBondContact N-OG 3.17Å; E1635-S1637 PolarHBondContact O-N 3.07Å; E1635-S1637 VanDerWaalsContact O-N 3.13Å |
| 1638 | I | 73.4 | Confident | 53.3 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 117.5 | 173.9 | -54.5 | 170.8 | 0 | 0 | 0 | 105.6 | I1615 F1640 G1678 F1694 V1721 W1731 | I1615-I1638 HydrophobicContact CG2-CG2 3.46Å; I1615-I1638 VanDerWaalsContact CG2-CG2 3.46Å; I1638-F1640 HydrophobicContact CB-CE2 4.24Å; I1638-F1640 HydrophobicContact CB-CZ 4.26Å; I1638-F1640 HydrophobicContact CG2-CD1 4.29Å; I1638-F1640 HydrophobicContact CG2-CD2 4.35Å; I1638-F1640 HydrophobicContact CG2-CE1 3.64Å; I1638-F1640 HydrophobicContact CG2-CE2 3.71Å; I1638-F1640 HydrophobicContact CG2-CZ 3.33Å; I1638-G1678 PolarHBondContact O-N 2.73Å; I1638-G1678 VanDerWaalsContact O-N 3.07Å; I1638-F1694 HydrophobicContact CD1-CD2 4.12Å; I1638-F1694 HydrophobicContact CD1-CE2 3.85Å; I1638-F1694 HydrophobicContact CD1-CZ 4.41Å; I1638-F1694 HydrophobicContact CG1-CD2 3.62Å; I1638-F1694 HydrophobicContact CG1-CE2 3.66Å; I1638-V1721 HydrophobicContact CD1-CG1 4.34Å; I1638-V1721 HydrophobicContact CD1-CG2 4.18Å; I1638-W1731 HydrophobicContact CD1-CD2 4.3Å; I1638-W1731 HydrophobicContact CD1-CH2 4.35Å; I1638-W1731 HydrophobicContact CD1-CZ2 3.91Å |
| 1639 | L | 72.4 | Confident | 52.7 | Low | 11 Ų | 11 | 58.9 Ų | 58.9 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142 | 178.9 | -55.3 | -179.7 | 0 | 0 | 0 | 110.5 | I1597 F1601 I1615 T1616 W1641 Y1675 T1676 K1677 | I1597-L1639 HydrophobicContact CG2-CD1 4.44Å; F1601-L1639 HydrophobicContact CE1-CD1 4.16Å; I1615-L1639 CarbonylContact C-O 3.49Å; I1615-L1639 VanDerWaalsContact CA-O 3.23Å; I1615-L1639 WeakPolarHBondContact CA-O 3.23Å; T1616-L1639 PolarHBondContact N-O 2.91Å; T1616-L1639 PolarHBondContact O-N 2.95Å; T1616-L1639 WeakPolarHBondContact OG1-CB 3.43Å; L1639-W1641 VanDerWaalsContact C-CD1 3.49Å; L1639-W1641 HydrophobicContact CB-CZ2 4.48Å; L1639-W1641 HydrophobicContact CD1-CZ2 4.32Å; L1639-W1641 PolarHBondContact O-NE1 3.18Å; L1639-Y1675 HydrophobicContact CD1-CD2 4.39Å; L1639-Y1675 HydrophobicContact CD2-CD2 4.08Å; L1639-Y1675 HydrophobicContact CD2-CE2 4.37Å; L1639-T1676 CarbonylContact C-O 3.55Å; L1639-T1676 VanDerWaalsContact CA-O 3.29Å; L1639-T1676 WeakPolarHBondContact CA-O 3.48Å; L1639-K1677 HydrophobicContact CD2-CB 3.67Å; L1639-K1677 HydrophobicContact CD2-CD 4.31Å; L1639-K1677 HydrophobicContact CD2-CG 3.84Å |
| 1640 | F | 75.4 | Confident | 52.5 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.5 | -161.4 | -72.6 | -61.3 | 0 | 0 | 0 | 110.3 | F1614 I1615 I1638 Y1675 T1676 H1736 P2085 P2087 L2089 | F1614-F1640 CarbonylContact O-C 3.57Å; F1614-F1640 WeakPolarHBondContact O-CA 3.46Å; I1615-F1640 HydrophobicContact CD1-CE1 4.37Å; I1615-F1640 HydrophobicContact CG1-CD1 4.2Å; I1615-F1640 HydrophobicContact CG1-CE1 4.21Å; I1615-F1640 HydrophobicContact CG2-CD1 4.24Å; I1615-F1640 HydrophobicContact CG2-CE1 4.18Å; I1638-F1640 HydrophobicContact CB-CE2 4.24Å; I1638-F1640 HydrophobicContact CB-CZ 4.26Å; I1638-F1640 HydrophobicContact CG2-CD1 4.29Å; I1638-F1640 HydrophobicContact CG2-CD2 4.35Å; I1638-F1640 HydrophobicContact CG2-CE1 3.64Å; I1638-F1640 HydrophobicContact CG2-CE2 3.71Å; I1638-F1640 HydrophobicContact CG2-CZ 3.33Å; F1640-Y1675 CarbonylContact O-C 3.29Å; F1640-Y1675 WeakPolarHBondContact O-CA 3.17Å; F1640-Y1675 WeakPolarHBondContact O-CB 3.11Å; F1640-T1676 VanDerWaalsContact CB-OG1 3.27Å; F1640-T1676 WeakPolarHBondContact CB-OG1 3.39Å; F1640-T1676 PolarHBondContact N-O 2.91Å; F1640-T1676 PolarHBondContact O-N 2.86Å; F1640-H1736 AromaticContact CD1-CE1 3.65Å; F1640-H1736 AromaticContact CD2-CD2 3.82Å; F1640-H1736 AromaticContact CD2-CE1 3.2Å; F1640-H1736 WeakPolarHBondContact CD2-CE1 3.26Å; F1640-H1736 AromaticContact CD2-ND1 3.98Å; F1640-H1736 AromaticContact CD2-NE2 3.09Å; F1640-H1736 WeakPolarHBondContact CD2-NE2 3.49Å; F1640-H1736 AromaticContact CE1-CE1 3.66Å; F1640-H1736 AromaticContact CE2-CD2 3.99Å; F1640-H1736 AromaticContact CE2-CE1 3.21Å; F1640-H1736 WeakPolarHBondContact CE2-CE1 3.38Å; F1640-H1736 AromaticContact CE2-CG 3.99Å; F1640-H1736 AromaticContact CE2-ND1 3.57Å; F1640-H1736 AromaticContact CE2-NE2 3.53Å; F1640-H1736 AromaticContact CG-CE1 3.4Å; F1640-H1736 VanDerWaalsContact CG-CE1 3.4Å; F1640-H1736 WeakPolarHBondContact CG-CE1 3.17Å; F1640-H1736 AromaticContact CG-NE2 3.42Å; F1640-H1736 WeakPolarHBondContact CG-NE2 3.41Å; F1640-H1736 AromaticContact CZ-CE1 3.43Å; F1640-H1736 VanDerWaalsContact CZ-CE1 3.43Å; F1640-H1736 WeakPolarHBondContact CZ-CE1 3.08Å; F1640-H1736 AromaticContact CZ-ND1 3.72Å; F1640-P2085 CarbonylContact C-O 3.52Å; F1640-P2085 CarbonylContact O-C 2.86Å; F1640-P2087 HydrophobicContact CB-CG 4.22Å; F1640-P2087 HydrophobicContact CD1-CG 3.54Å; F1640-P2087 HydrophobicContact CE1-CG 4.37Å; F1640-P2087 HydrophobicContact CG-CG 4.32Å; F1640-L2089 HydrophobicContact CE1-CD1 3.87Å |
| 1641 | W | 70 | Confident | 52.3 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 144.4 | -162.4 | -48.8 | 67.1 | 0 | 0 | 0 | 117.9 | I1597 E1613 F1614 T1616 L1639 L1673 S1674 Y1675 P2085 | I1597-W1641 HydrophobicContact CD1-CH2 3.87Å; I1597-W1641 HydrophobicContact CG1-CH2 3.99Å; E1613-W1641 CarbonylContact C-O 3.56Å; E1613-W1641 WeakPolarHBondContact CG-O 3.5Å; F1614-W1641 HydrophobicContact CB-CB 4.23Å; F1614-W1641 HydrophobicContact CD1-CB 3.42Å; F1614-W1641 VanDerWaalsContact CD1-CB 3.42Å; F1614-W1641 HydrophobicContact CD1-CD2 4.26Å; F1614-W1641 AromaticContact CD1-CG 3.78Å; F1614-W1641 HydrophobicContact CD1-CG 3.78Å; F1614-W1641 HydrophobicContact CD2-CB 3.71Å; F1614-W1641 AromaticContact CD2-CD1 3.02Å; F1614-W1641 AromaticContact CD2-CD2 3.81Å; F1614-W1641 HydrophobicContact CD2-CD2 3.81Å; F1614-W1641 AromaticContact CD2-CE2 3.98Å; F1614-W1641 AromaticContact CD2-CG 3.27Å; F1614-W1641 HydrophobicContact CD2-CG 3.27Å; F1614-W1641 AromaticContact CD2-NE1 3.49Å; F1614-W1641 HydrophobicContact CE1-CB 3.77Å; F1614-W1641 AromaticContact CE1-CD2 3.74Å; F1614-W1641 HydrophobicContact CE1-CD2 3.74Å; F1614-W1641 AromaticContact CE1-CE3 3.75Å; F1614-W1641 HydrophobicContact CE1-CE3 3.75Å; F1614-W1641 AromaticContact CE1-CG 3.78Å; F1614-W1641 HydrophobicContact CE1-CG 3.78Å; F1614-W1641 HydrophobicContact CE2-CB 4.03Å; F1614-W1641 AromaticContact CE2-CD1 3.17Å; F1614-W1641 AromaticContact CE2-CD2 3.2Å; F1614-W1641 HydrophobicContact CE2-CD2 3.2Å; F1614-W1641 AromaticContact CE2-CE2 3.22Å; F1614-W1641 AromaticContact CE2-CE3 3.88Å; F1614-W1641 HydrophobicContact CE2-CE3 3.88Å; F1614-W1641 AromaticContact CE2-CG 3.25Å; F1614-W1641 HydrophobicContact CE2-CG 3.25Å; F1614-W1641 AromaticContact CE2-CZ2 3.97Å; F1614-W1641 HydrophobicContact CE2-CZ2 3.97Å; F1614-W1641 AromaticContact CE2-NE1 3.16Å; F1614-W1641 HydrophobicContact CG-CB 3.39Å; F1614-W1641 AromaticContact CG-CD1 3.7Å; F1614-W1641 HydrophobicContact CG-CD2 4.32Å; F1614-W1641 AromaticContact CG-CG 3.56Å; F1614-W1641 HydrophobicContact CG-CG 3.56Å; F1614-W1641 HydrophobicContact CZ-CB 4.08Å; F1614-W1641 AromaticContact CZ-CD1 3.94Å; F1614-W1641 AromaticContact CZ-CD2 3.17Å; F1614-W1641 HydrophobicContact CZ-CD2 3.17Å; F1614-W1641 AromaticContact CZ-CE2 3.58Å; F1614-W1641 AromaticContact CZ-CE3 3.33Å; F1614-W1641 HydrophobicContact CZ-CE3 3.33Å; F1614-W1641 AromaticContact CZ-CG 3.53Å; F1614-W1641 HydrophobicContact CZ-CG 3.53Å; F1614-W1641 HydrophobicContact CZ-CH2 4.29Å; F1614-W1641 HydrophobicContact CZ-CZ2 4.14Å; F1614-W1641 AromaticContact CZ-CZ3 3.92Å; F1614-W1641 HydrophobicContact CZ-CZ3 3.92Å; F1614-W1641 AromaticContact CZ-NE1 3.98Å; F1614-W1641 PolarHBondContact N-O 3.25Å; F1614-W1641 PolarHBondContact O-N 3.22Å; T1616-W1641 PolarHBondContact OG1-NE1 2.78Å; L1639-W1641 VanDerWaalsContact C-CD1 3.49Å; L1639-W1641 HydrophobicContact CB-CZ2 4.48Å; L1639-W1641 HydrophobicContact CD1-CZ2 4.32Å; L1639-W1641 PolarHBondContact O-NE1 3.18Å; W1641-L1673 HydrophobicContact CE3-CD2 4.05Å; W1641-L1673 HydrophobicContact CZ3-CD2 4.48Å; W1641-S1674 WeakPolarHBondContact CZ3-O 3.21Å; W1641-Y1675 HydrophobicContact CE3-CD1 4.48Å; W1641-Y1675 AromaticContact CH2-CD1 3.53Å; W1641-Y1675 HydrophobicContact CH2-CD1 3.53Å; W1641-Y1675 HydrophobicContact CH2-CE1 4.29Å; W1641-Y1675 HydrophobicContact CH2-CG 4.21Å; W1641-Y1675 AromaticContact CZ2-CD1 3.75Å; W1641-Y1675 HydrophobicContact CZ2-CD1 3.75Å; W1641-Y1675 AromaticContact CZ2-CG 3.99Å; W1641-Y1675 HydrophobicContact CZ2-CG 3.99Å; W1641-Y1675 AromaticContact CZ3-CD1 3.94Å; W1641-Y1675 HydrophobicContact CZ3-CD1 3.94Å; W1641-P2085 VanDerWaalsContact C-C 3.49Å; W1641-P2085 HydrophobicContact CB-CB 3.93Å |
| 1642 | K | 70.8 | Confident | 52 | Low | 12 Ų | 12 | 65 Ų | 65 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -179.9 | 96.8 | -165 | 177.5 | -111.5 | 144.3 | -153.1 | 0 | 116.5 | E1613 D1644 N2042 L2079 P2085 M2086 | E1613-K1642 HydrophobicContact CG-CB 3.48Å; E1613-K1642 VanDerWaalsContact CG-CB 3.48Å; E1613-K1642 HydrophobicContact CG-CG 3.89Å; E1613-K1642 WeakPolarHBondContact OE1-CG 3.43Å; K1642-D1644 IonicContact NZ-OD1 2.71Å; K1642-N2042 CarbonylContact C-O 3.55Å; K1642-N2042 VanDerWaalsContact C-O 3.31Å; K1642-N2042 VanDerWaalsContact CA-C 3.44Å; K1642-N2042 WeakPolarHBondContact CA-O 3.36Å; K1642-L2079 PolarHBondContact NZ-O 3.36Å; K1642-P2085 VanDerWaalsContact C-CG 3.42Å; K1642-P2085 VanDerWaalsContact CA-CA 3.47Å; K1642-P2085 WeakPolarHBondContact O-CA 3.21Å; K1642-P2085 WeakPolarHBondContact O-CD 3.34Å; K1642-P2085 VanDerWaalsContact O-CG 3.25Å; K1642-P2085 WeakPolarHBondContact O-CG 3.27Å; K1642-P2085 VanDerWaalsContact O-N 3.1Å; K1642-M2086 HydrophobicContact CB-CG 4.46Å; K1642-M2086 WeakPolarHBondContact CB-O 3.43Å; K1642-M2086 VanDerWaalsContact N-N 3.12Å |
| 1643 | F | 63.7 | Low | 51.1 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | trans | -85.7 | -157.4 | -175.1 | 53.1 | -136.6 | 0 | 0 | 0 | 115.9 | N1612 I1645 I1672 L1673 L2021 N2042 Y2078 | N1612-F1643 HydrophobicContact CB-CE2 4.12Å; N1612-F1643 HydrophobicContact CB-CZ 3.95Å; F1643-I1645 HydrophobicContact CD2-CG1 4.24Å; F1643-I1645 HydrophobicContact CE2-CD1 4.18Å; F1643-I1645 HydrophobicContact CE2-CG1 4.07Å; F1643-I1672 HydrophobicContact CB-CG2 3.93Å; F1643-I1672 WeakPolarHBondContact CB-O 3.46Å; F1643-I1672 HydrophobicContact CD1-CG2 4.34Å; F1643-I1672 HydrophobicContact CG-CG2 4.29Å; F1643-L1673 HydrophobicContact CD1-CD2 4.49Å; F1643-L2021 HydrophobicContact CD1-CD2 3.9Å; F1643-L2021 HydrophobicContact CE1-CB 4.22Å; F1643-L2021 HydrophobicContact CE1-CD1 4.2Å; F1643-L2021 HydrophobicContact CE1-CD2 3.03Å; F1643-L2021 HydrophobicContact CE1-CG 3.9Å; F1643-L2021 HydrophobicContact CE2-CD1 4.43Å; F1643-L2021 HydrophobicContact CE2-CD2 4.28Å; F1643-L2021 HydrophobicContact CZ-CB 4.31Å; F1643-L2021 HydrophobicContact CZ-CD1 3.65Å; F1643-L2021 HydrophobicContact CZ-CD2 3.34Å; F1643-L2021 HydrophobicContact CZ-CG 3.88Å; F1643-N2042 HydrophobicContact CD1-CB 3.76Å; F1643-N2042 VanDerWaalsContact CD1-O 3.3Å; F1643-N2042 WeakPolarHBondContact CD1-O 3.37Å; F1643-N2042 WeakPolarHBondContact CD2-O 3.25Å; F1643-N2042 HydrophobicContact CE1-CB 3.46Å; F1643-N2042 VanDerWaalsContact CE1-CB 3.46Å; F1643-N2042 WeakPolarHBondContact CE1-ND2 3.09Å; F1643-N2042 WeakPolarHBondContact CE1-O 3.15Å; F1643-N2042 VanDerWaalsContact CE1-OD1 3.28Å; F1643-N2042 WeakPolarHBondContact CE1-OD1 3.14Å; F1643-N2042 WeakPolarHBondContact CE2-O 3.11Å; F1643-N2042 WeakPolarHBondContact CG-O 3.1Å; F1643-N2042 HydrophobicContact CZ-CB 4.01Å; F1643-N2042 VanDerWaalsContact CZ-ND2 3.28Å; F1643-N2042 WeakPolarHBondContact CZ-ND2 3.22Å; F1643-N2042 WeakPolarHBondContact CZ-O 3.28Å; F1643-N2042 PolarHBondContact N-O 3.07Å; F1643-Y2078 HydrophobicContact CD2-CE1 4.12Å; F1643-Y2078 HydrophobicContact CE2-CE1 4.37Å | ||
| 1644 | D | 53.8 | Low | 50.1 | Low | 40 Ų | 40 | 78.2 Ų | 78.2 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | trans | -134.1 | 132.3 | 168 | -72.1 | -56.5 | 0 | 0 | 0 | 111.5 | K1642 Y2078 | K1642-D1644 IonicContact NZ-OD1 2.71Å; D1644-Y2078 HydrophobicContact CB-CD1 4.42Å; D1644-Y2078 WeakPolarHBondContact OD1-CD1 3.47Å | ||
| 1645 | I | 53.7 | Low | 48.9 | Very low | 27 Ų | 27 | 82.3 Ų | 82.3 | 14% | 0.138 | 41% | 0.408 | C | S | . | . | trans | -93.3 | -0.7 | 179.8 | -77 | -175 | 0 | 0 | 0 | 114.2 | F1643 Y1647 L2021 Y2078 | F1643-I1645 HydrophobicContact CD2-CG1 4.24Å; F1643-I1645 HydrophobicContact CE2-CD1 4.18Å; F1643-I1645 HydrophobicContact CE2-CG1 4.07Å; I1645-Y1647 PolarHBondContact O-N 2.93Å; I1645-L2021 HydrophobicContact CD1-CD1 3.91Å; I1645-Y2078 HydrophobicContact CB-CE1 4.4Å; I1645-Y2078 HydrophobicContact CB-CE2 3.94Å; I1645-Y2078 WeakPolarHBondContact CB-OH 3.34Å; I1645-Y2078 WeakPolarHBondContact CD1-OH 2.99Å; I1645-Y2078 WeakPolarHBondContact CG1-OH 3.18Å | ||
| 1646 | K | 39.3 | Very low | 47.3 | Very low | 108 Ų | 108 | 83.9 Ų | 83.9 | 47% | 0.47 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 8.6 | -161.4 | -68.2 | -172.1 | 179.1 | -179.8 | 0 | 119 | N2081 | K1646-N2081 PolarHBondContact NZ-OD1 3.45Š|
| 1647 | Y | 36 | Very low | 45.5 | Very low | 229 Ų | 229 | 90 Ų | 90 | 90% | 0.898 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -2.2 | -175.6 | -79.3 | -75.9 | 0 | 0 | 0 | 116.5 | I1645 T1649 | I1645-Y1647 PolarHBondContact O-N 2.93Å; Y1647-T1649 PolarHBondContact O-N 3.32Å |
| 1648 | S | 31.1 | Very low | 43.8 | Very low | 62 Ų | 62 | 96.8 Ų | 96.8 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -89.2 | 14.2 | -165 | 83.1 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1649 | T | 29.3 | Very low | 41.8 | Very low | 110 Ų | 110 | 103.5 Ų | 103.5 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -140.8 | 42.1 | -167.1 | 63.4 | 0 | 0 | 0 | 0 | 116.7 | Y1647 | Y1647-T1649 PolarHBondContact O-N 3.32Š|
| 1650 | H | 26.8 | Very low | 39.8 | Very low | 180 Ų | 180 | 110.2 Ų | 110.2 | 83% | 0.833 | 56% | 0.561 | S | S | * | * | trans | -145.9 | 72.5 | 166 | -89.6 | -56.6 | 0 | 0 | 0 | 113.3 | ||||
| 1651 | T | 30.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 82% | 0.816 | 59% | 0.591 | S | S | * | * | trans | -130.4 | 82.9 | 166.1 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1652 | N | 29.1 | Very low | 35.7 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 63% | 0.626 | S | S | * | * | trans | -65.6 | 151.3 | 166.4 | -83.8 | -3.2 | 0 | 0 | 0 | 109.8 | E1654 | N1652-E1654 VanDerWaalsContact C-N 3.32Å; N1652-E1654 PolarHBondContact O-N 2.66Å | ||
| 1653 | Y | 26.5 | Very low | 33.8 | Very low | 244 Ų | 244 | 125 Ų | 125 | 96% | 0.957 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -73.4 | 75.7 | -175.4 | -76.9 | -97.3 | 0 | 0 | 0 | 113 | ||
| 1654 | E | 25.3 | Very low | 32.1 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -123.8 | 126.1 | 158.5 | -69.9 | -165 | 161.7 | 0 | 0 | 110.4 | N1652 V1656 | N1652-E1654 VanDerWaalsContact C-N 3.32Å; N1652-E1654 PolarHBondContact O-N 2.66Å; E1654-V1656 VanDerWaalsContact C-N 3.3Å; E1654-V1656 PolarHBondContact O-N 3.32Å | ||
| 1655 | T | 28 | Very low | 31.1 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 87% | 0.865 | 71% | 0.709 | S | S | * | * | trans | -77.7 | 78 | -177.7 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | N1657 | T1655-N1657 PolarHBondContact O-N 3.33Å; T1655-N1657 VanDerWaalsContact O-N 3.1Å | ||
| 1656 | V | 25.6 | Very low | 30 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | trans | -60.9 | 112.4 | 177.5 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | E1654 I1658 | E1654-V1656 VanDerWaalsContact C-N 3.3Å; E1654-V1656 PolarHBondContact O-N 3.32Å; V1656-I1658 PolarHBondContact O-N 2.89Å; V1656-I1658 VanDerWaalsContact O-N 3.15Å | ||
| 1657 | N | 26.5 | Very low | 29.6 | Very low | 139 Ų | 139 | 142 Ų | 142 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -59.9 | 116.1 | 179.3 | -99.2 | -48.5 | 0 | 0 | 0 | 110.9 | T1655 N1659 | T1655-N1657 PolarHBondContact O-N 3.33Å; T1655-N1657 VanDerWaalsContact O-N 3.1Å; N1657-N1659 PolarHBondContact O-N 3.45Å | ||
| 1658 | I | 31.8 | Very low | 29.2 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -64 | -14.7 | -166.7 | -67.1 | 171.2 | 0 | 0 | 0 | 113.7 | V1656 N1660 | V1656-I1658 PolarHBondContact O-N 2.89Å; V1656-I1658 VanDerWaalsContact O-N 3.15Å; I1658-N1660 VanDerWaalsContact C-N 3.27Å; I1658-N1660 PolarHBondContact O-N 3.25Å; I1658-N1660 VanDerWaalsContact O-N 3.11Å |
| 1659 | N | 32.2 | Very low | 29.3 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -69.8 | -7.5 | -168.9 | -66.7 | -10.4 | 0 | 0 | 0 | 116.5 | N1657 | N1657-N1659 PolarHBondContact O-N 3.45Š|
| 1660 | N | 30.1 | Very low | 29.8 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -123.6 | 11.1 | -170.7 | -101.1 | 5.7 | 0 | 0 | 0 | 116.1 | I1658 | I1658-N1660 VanDerWaalsContact C-N 3.27Å; I1658-N1660 PolarHBondContact O-N 3.25Å; I1658-N1660 VanDerWaalsContact O-N 3.11Å |
| 1661 | V | 29.5 | Very low | 30.8 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -92.9 | 110.8 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1662 | N | 30.6 | Very low | 32 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -67.2 | 142.9 | 178.9 | -75.1 | -30.9 | 0 | 0 | 0 | 112.4 | N1664 | N1662-N1664 VanDerWaalsContact C-N 3.29Å; N1662-N1664 PolarHBondContact O-N 2.91Å; N1662-N1664 VanDerWaalsContact O-N 3.11Å | ||
| 1663 | S | 29.5 | Very low | 33 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -55.1 | -31.8 | -168 | 42.9 | 0 | 0 | 0 | 0 | 116.2 | N1665 L1666 | S1663-N1665 PolarHBondContact O-N 3.11Å; S1663-N1665 VanDerWaalsContact O-N 3.13Å; S1663-L1666 PolarHBondContact O-N 2.88Å |
| 1664 | N | 29.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -72.4 | -14.1 | -162.2 | -62.6 | 15.4 | 0 | 0 | 0 | 114 | N1662 | N1662-N1664 VanDerWaalsContact C-N 3.29Å; N1662-N1664 PolarHBondContact O-N 2.91Å; N1662-N1664 VanDerWaalsContact O-N 3.11Å |
| 1665 | N | 31.8 | Very low | 36.8 | Very low | 141 Ų | 141 | 112.9 Ų | 112.9 | 75% | 0.754 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -83.8 | -11.4 | 176.8 | -75.1 | -0.5 | 0 | 0 | 0 | 114 | S1663 | S1663-N1665 PolarHBondContact O-N 3.11Å; S1663-N1665 VanDerWaalsContact O-N 3.13Å |
| 1666 | L | 31.1 | Very low | 38 | Very low | 139 Ų | 139 | 106.8 Ų | 106.8 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -78.2 | -23.7 | 179.7 | -85 | 161.3 | 0 | 0 | 0 | 113.9 | S1663 N1668 | S1663-L1666 PolarHBondContact O-N 2.88Å; L1666-N1668 VanDerWaalsContact C-N 3.29Å; L1666-N1668 PolarHBondContact O-N 3.01Å |
| 1667 | V | 30.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 105.3 Ų | 105.3 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -18.6 | -173.6 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | A1669 | V1667-A1669 VanDerWaalsContact C-N 3.35Å; V1667-A1669 PolarHBondContact O-N 2.95Å |
| 1668 | N | 28.4 | Very low | 41.3 | Very low | 131 Ų | 131 | 99.3 Ų | 99.3 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 13.5 | -177.4 | -81.1 | -29.5 | 0 | 0 | 0 | 114.9 | L1666 K1670 | L1666-N1668 VanDerWaalsContact C-N 3.29Å; L1666-N1668 PolarHBondContact O-N 3.01Å; N1668-K1670 VanDerWaalsContact C-N 3.26Å; N1668-K1670 PolarHBondContact O-N 3.06Å |
| 1669 | A | 32.9 | Very low | 42.2 | Very low | 86 Ų | 86 | 98.7 Ų | 98.7 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | trans | -72.6 | 78.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1667 | V1667-A1669 VanDerWaalsContact C-N 3.35Å; V1667-A1669 PolarHBondContact O-N 2.95Å | ||
| 1670 | K | 39.6 | Very low | 43.1 | Very low | 149 Ų | 149 | 95.8 Ų | 95.8 | 65% | 0.648 | 52% | 0.519 | S | S | * | . | trans | -58.3 | 143.6 | -178.3 | -69.1 | -175.5 | 174.3 | -171.9 | 0 | 112.4 | N1668 | N1668-K1670 VanDerWaalsContact C-N 3.26Å; N1668-K1670 PolarHBondContact O-N 3.06Å | ||
| 1671 | N | 48.1 | Very low | 43.9 | Very low | 113 Ų | 113 | 92.4 Ų | 92.4 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | trans | -49.7 | 135.8 | -177.7 | -59.6 | 5.5 | 0 | 0 | 0 | 113.3 | L1673 | N1671-L1673 WeakPolarHBondContact CB-O 2.94Š| ||
| 1672 | I | 54.8 | Low | 44.3 | Very low | 66 Ų | 66 | 92.4 Ų | 92.4 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -78.8 | -33.3 | 171.9 | -60.3 | 171.1 | 0 | 0 | 0 | 110.3 | F1643 | F1643-I1672 HydrophobicContact CB-CG2 3.93Å; F1643-I1672 WeakPolarHBondContact CB-O 3.46Å; F1643-I1672 HydrophobicContact CD1-CG2 4.34Å; F1643-I1672 HydrophobicContact CG-CG2 4.29Å |
| 1673 | L | 51.4 | Low | 44.4 | Very low | 1 Ų | 1 | 93.2 Ų | 93.2 | 1% | 0.005 | 50% | 0.496 | C | S | . | . | trans | -109.2 | 155.9 | -179 | -81.5 | 151.1 | 0 | 0 | 0 | 113.2 | L1583 V1595 F1614 W1641 F1643 N1671 N2042 | L1583-L1673 HydrophobicContact CB-CD1 4.37Å; V1595-L1673 HydrophobicContact CG2-CB 3.63Å; V1595-L1673 HydrophobicContact CG2-CD1 4.47Å; F1614-L1673 HydrophobicContact CE1-CD2 4.38Å; W1641-L1673 HydrophobicContact CE3-CD2 4.05Å; W1641-L1673 HydrophobicContact CZ3-CD2 4.48Å; F1643-L1673 HydrophobicContact CD1-CD2 4.49Å; N1671-L1673 WeakPolarHBondContact CB-O 2.94Å; L1673-N2042 HydrophobicContact CD2-CB 4.26Å | ||
| 1674 | S | 57.5 | Low | 44.7 | Very low | 24 Ų | 24 | 95 Ų | 95 | 17% | 0.168 | 50% | 0.499 | C | S | . | . | trans | -173.3 | -167.9 | -174.2 | -28.7 | 0 | 0 | 0 | 0 | 107.8 | W1641 Q2083 P2085 | W1641-S1674 WeakPolarHBondContact CZ3-O 3.21Å; S1674-Q2083 PolarHBondContact OG-O 3.1Å; S1674-P2085 VanDerWaalsContact C-CB 3.42Å; S1674-P2085 WeakPolarHBondContact O-CB 3.34Å; S1674-P2085 WeakPolarHBondContact O-CG 3.34Å | ||
| 1675 | Y | 73 | Confident | 45.1 | Very low | 98 Ų | 98 | 98.3 Ų | 98.3 | 38% | 0.384 | 51% | 0.51 | S | S | . | . | trans | -166.7 | 170 | 173.6 | 52.9 | -91.1 | 0 | 0 | 0 | 113.7 | L1639 F1640 W1641 I2084 P2085 | L1639-Y1675 HydrophobicContact CD1-CD2 4.39Å; L1639-Y1675 HydrophobicContact CD2-CD2 4.08Å; L1639-Y1675 HydrophobicContact CD2-CE2 4.37Å; F1640-Y1675 CarbonylContact O-C 3.29Å; F1640-Y1675 WeakPolarHBondContact O-CA 3.17Å; F1640-Y1675 WeakPolarHBondContact O-CB 3.11Å; W1641-Y1675 HydrophobicContact CE3-CD1 4.48Å; W1641-Y1675 AromaticContact CH2-CD1 3.53Å; W1641-Y1675 HydrophobicContact CH2-CD1 3.53Å; W1641-Y1675 HydrophobicContact CH2-CE1 4.29Å; W1641-Y1675 HydrophobicContact CH2-CG 4.21Å; W1641-Y1675 AromaticContact CZ2-CD1 3.75Å; W1641-Y1675 HydrophobicContact CZ2-CD1 3.75Å; W1641-Y1675 AromaticContact CZ2-CG 3.99Å; W1641-Y1675 HydrophobicContact CZ2-CG 3.99Å; W1641-Y1675 AromaticContact CZ3-CD1 3.94Å; W1641-Y1675 HydrophobicContact CZ3-CD1 3.94Å; Y1675-I2084 WeakPolarHBondContact O-CG2 3.42Å; Y1675-P2085 CarbonylContact C-O 3.54Å | ||
| 1676 | T | 53.9 | Low | 45.1 | Very low | 14 Ų | 14 | 97.8 Ų | 97.8 | 9% | 0.086 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 154.7 | 164.5 | 38.4 | 0 | 0 | 0 | 0 | 111.5 | L1639 F1640 I2084 P2085 M2086 | L1639-T1676 CarbonylContact C-O 3.55Å; L1639-T1676 VanDerWaalsContact CA-O 3.29Å; L1639-T1676 WeakPolarHBondContact CA-O 3.48Å; F1640-T1676 VanDerWaalsContact CB-OG1 3.27Å; F1640-T1676 WeakPolarHBondContact CB-OG1 3.39Å; F1640-T1676 PolarHBondContact N-O 2.91Å; F1640-T1676 PolarHBondContact O-N 2.86Å; T1676-I2084 HydrophobicContact CG2-CG2 3.68Å; T1676-P2085 PolarHBondContact N-O 3.5Å; T1676-P2085 PolarHBondContact OG1-O 3.49Å; T1676-M2086 HydrophobicContact CG2-CE 4.21Å |
| 1677 | K | 61.7 | Low | 45.3 | Very low | 80 Ų | 80 | 100 Ų | 100 | 35% | 0.348 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.2 | 178.1 | -178.6 | 174.7 | 175.7 | 179.2 | 0 | 110 | E1635 L1639 | E1635-K1677 IonicContact OE2-NZ 3.27Å; E1635-K1677 PolarHBondContact OE2-NZ 2.96Å; L1639-K1677 HydrophobicContact CD2-CB 3.67Å; L1639-K1677 HydrophobicContact CD2-CD 4.31Å; L1639-K1677 HydrophobicContact CD2-CG 3.84Å |
| 1678 | G | 60.7 | Low | 45.4 | Very low | 13 Ų | 13 | 101.1 Ų | 101.1 | 13% | 0.134 | 51% | 0.506 | C | S | . | . | trans | -62.2 | 152.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1638 | I1638-G1678 PolarHBondContact O-N 2.73Å; I1638-G1678 VanDerWaalsContact O-N 3.07Å | ||
| 1679 | K | 49.2 | Very low | 46 | Very low | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.587 | 50% | 0.503 | S | S | * | . | B | Isolated β-bridge | trans | -105.3 | 114.6 | -177.1 | -73.8 | 174.8 | -177.4 | 167.6 | 0 | 111.6 | H1736 M1737 | K1679-H1736 PolarHBondContact N-O 3.41Å; K1679-M1737 HydrophobicContact CB-CE 4.13Å; K1679-M1737 HydrophobicContact CB-SD 3.55Å; K1679-M1737 VanDerWaalsContact CB-SD 3.55Å; K1679-M1737 HydrophobicContact CD-SD 4.05Å; K1679-M1737 HydrophobicContact CG-SD 4.45Å |
| 1680 | N | 52.5 | Low | 46.5 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | trans | -69.9 | 152.6 | 170.6 | -73.4 | -18.6 | 0 | 0 | 0 | 111.4 | W1731 | N1680-W1731 VanDerWaalsContact OD1-CH2 3.22Å; N1680-W1731 WeakPolarHBondContact OD1-CH2 3.37Å; N1680-W1731 WeakPolarHBondContact OD1-CZ2 3.42Å | ||
| 1681 | W | 45 | Very low | 47.2 | Very low | 82 Ų | 82 | 100.5 Ų | 100.5 | 31% | 0.311 | 49% | 0.486 | S | S | . | . | trans | -65 | 130.9 | 175.4 | -159.7 | -66.1 | 0 | 0 | 0 | 111.8 | F1683 C1738 L1739 E2190 | W1681-F1683 PolarHBondContact O-N 2.82Å; W1681-C1738 VanDerWaalsContact CE3-O 3.25Å; W1681-C1738 WeakPolarHBondContact CZ3-O 3.33Å; W1681-L1739 VanDerWaalsContact CZ3-O 3.23Å; W1681-L1739 WeakPolarHBondContact CZ3-O 3.48Å; W1681-E2190 VanDerWaalsContact CH2-CD 3.49Å; W1681-E2190 WeakPolarHBondContact CH2-OE1 3.25Å; W1681-E2190 WeakPolarHBondContact CH2-OE2 3.18Å; W1681-E2190 WeakPolarHBondContact CZ2-OE1 3.11Å | ||
| 1682 | S | 38 | Very low | 47.6 | Very low | 104 Ų | 104 | 96.6 Ų | 96.6 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | trans | -80.5 | 98.8 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1683 | F | 34.3 | Very low | 48.2 | Very low | 157 Ų | 157 | 95.5 Ų | 95.5 | 69% | 0.689 | 46% | 0.46 | S | S | * | . | trans | -80 | 139.7 | 175.6 | -131 | -86.1 | 0 | 0 | 0 | 111.3 | W1681 E1685 | W1681-F1683 PolarHBondContact O-N 2.82Å; F1683-E1685 PolarHBondContact O-N 2.89Å | ||
| 1684 | N | 34.3 | Very low | 49.1 | Very low | 121 Ų | 121 | 96.1 Ų | 96.1 | 65% | 0.647 | 46% | 0.462 | S | S | * | . | trans | -70.8 | 101.7 | 179.7 | -86.8 | -30.5 | 0 | 0 | 0 | 112.2 | N1686 | N1684-N1686 PolarHBondContact O-N 2.85Å; N1684-N1686 PolarHBondContact O-ND2 3.39Å | ||
| 1685 | E | 37.8 | Very low | 49.4 | Very low | 195 Ų | 195 | 96.8 Ų | 96.8 | 91% | 0.911 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 50.2 | -12.5 | 169.3 | -62.3 | -155.5 | 130.9 | 0 | 0 | 120.1 | F1683 K1687 | F1683-E1685 PolarHBondContact O-N 2.89Å; E1685-K1687 PolarHBondContact O-N 2.95Å |
| 1686 | N | 32.2 | Very low | 49.1 | Very low | 131 Ų | 131 | 94 Ų | 94 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -93.7 | 85.1 | -172.6 | -78.3 | -74.4 | 0 | 0 | 0 | 114.1 | N1684 | N1684-N1686 PolarHBondContact O-N 2.85Å; N1684-N1686 PolarHBondContact O-ND2 3.39Å |
| 1687 | K | 35.3 | Very low | 49.9 | Very low | 184 Ų | 184 | 94.1 Ų | 94.1 | 80% | 0.8 | 46% | 0.464 | S | S | * | . | trans | 55.7 | 90.1 | 158.1 | -61.6 | 176.7 | -178 | 170.6 | 0 | 116.9 | E1685 | E1685-K1687 PolarHBondContact O-N 2.95Š| ||
| 1688 | F | 33.9 | Very low | 50.3 | Low | 148 Ų | 148 | 91.9 Ų | 91.9 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 136.3 | 154.2 | -69.4 | -88.2 | 0 | 0 | 0 | 111 | ||
| 1689 | L | 39.2 | Very low | 50.6 | Low | 119 Ų | 119 | 93.8 Ų | 93.8 | 62% | 0.623 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 126.1 | 163.6 | -89.9 | 74.1 | 0 | 0 | 0 | 108.8 | ||
| 1690 | Y | 45 | Very low | 51 | Low | 172 Ų | 172 | 87.6 Ų | 87.6 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -81.6 | 144.3 | 176.5 | -61.4 | -86 | 0 | 0 | 0 | 111.1 | ||
| 1691 | N | 53.4 | Low | 51.2 | Low | 62 Ų | 62 | 86 Ų | 86 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | trans | 72.3 | 40.8 | 179.5 | -47.1 | -41.8 | 0 | 0 | 0 | 116 | N1724 F1725 | N1691-N1724 PolarHBondContact O-ND2 2.99Å; N1691-F1725 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1692 | T | 57.3 | Low | 51.5 | Low | 32 Ų | 32 | 82.6 Ų | 82.6 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | trans | -72.2 | 138 | 160.2 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | S1636 N1724 F1725 | S1636-T1692 VanDerWaalsContact CB-O 3.27Å; S1636-T1692 WeakPolarHBondContact CB-O 3.33Å; S1636-T1692 PolarHBondContact N-O 3.35Å; S1636-T1692 PolarHBondContact OG-OG1 3.33Å; T1692-N1724 WeakPolarHBondContact CA-OD1 3.36Å; T1692-F1725 HydrophobicContact CG2-CD2 4.11Å; T1692-F1725 HydrophobicContact CG2-CE2 4.15Å | ||
| 1693 | E | 66.6 | Low | 51.7 | Low | 43 Ų | 43 | 80.5 Ų | 80.5 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | trans | -131.8 | 140.8 | 172.3 | -63.8 | -172.6 | 168.5 | 0 | 0 | 108.8 | Y1600 A1619 H1634 D1723 N1724 | Y1600-E1693 PolarHBondContact OH-OE1 2.81Å; Y1600-E1693 PolarHBondContact OH-OE2 3.21Å; A1619-E1693 HydrophobicContact CB-CG 4.19Å; H1634-E1693 IonicContact CE1-OE1 2.71Å; H1634-E1693 IonicContact CG-OE1 2.69Å; H1634-E1693 IonicContact ND1-OE1 3.57Å; H1634-E1693 PolarHBondContact ND1-OE1 2.89Å; E1693-D1723 WeakPolarHBondContact O-CA 3.42Å; E1693-N1724 PolarHBondContact N-OD1 3.31Å; E1693-N1724 PolarHBondContact O-N 3.47Å; E1693-N1724 PolarHBondContact O-OD1 2.65Å | ||
| 1694 | F | 69.8 | Low | 52.1 | Low | 13 Ų | 13 | 75.1 Ų | 75.1 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.7 | 177.5 | -67.9 | -46.8 | 0 | 0 | 0 | 110.3 | N1602 I1617 I1638 V1721 D1723 W1731 | N1602-F1694 PolarHBondContact ND2-O 2.9Å; I1617-F1694 HydrophobicContact CG2-CB 3.55Å; I1638-F1694 HydrophobicContact CD1-CD2 4.12Å; I1638-F1694 HydrophobicContact CD1-CE2 3.85Å; I1638-F1694 HydrophobicContact CD1-CZ 4.41Å; I1638-F1694 HydrophobicContact CG1-CD2 3.62Å; I1638-F1694 HydrophobicContact CG1-CE2 3.66Å; F1694-V1721 HydrophobicContact CB-CG1 4.19Å; F1694-V1721 HydrophobicContact CD1-CG1 3.59Å; F1694-V1721 HydrophobicContact CD2-CG1 4.5Å; F1694-V1721 HydrophobicContact CE1-CG1 4.04Å; F1694-V1721 HydrophobicContact CG-CG1 3.86Å; F1694-D1723 HydrophobicContact CD1-CB 4.46Å; F1694-W1731 HydrophobicContact CZ-CZ2 4.1Å |
| 1695 | C | 65.4 | Low | 52.1 | Low | 38 Ų | 38 | 75.6 Ų | 75.6 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -40.3 | -172.5 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | S1722 E1748 | C1695-S1722 PolarHBondContact N-O 2.73Å; C1695-E1748 WeakPolarHBondContact CB-OE1 3.35Å; C1695-E1748 PolarHBondContact SG-OE1 3.08Å |
| 1696 | S | 66.1 | Low | 51.8 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.9 | -176.4 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | S1722 | S1696-S1722 PolarHBondContact O-N 3.33Å; S1696-S1722 PolarHBondContact O-OG 2.73Å |
| 1697 | A | 70 | Confident | 51.6 | Low | 15 Ų | 15 | 67.4 Ų | 67.4 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1605 I1617 I1719 L1720 V1721 | L1605-A1697 HydrophobicContact CD1-CB 4.06Å; I1617-A1697 HydrophobicContact CD1-CB 3.58Å; A1697-I1719 HydrophobicContact CB-CG2 4.28Å; A1697-L1720 WeakPolarHBondContact CA-O 3.4Å; A1697-V1721 HydrophobicContact CB-CB 4.43Å; A1697-V1721 HydrophobicContact CB-CG1 4.35Å; A1697-V1721 HydrophobicContact CB-CG2 3.91Å |
| 1698 | A | 69.9 | Low | 51.4 | Low | 34 Ų | 34 | 67.9 Ų | 67.9 | 28% | 0.281 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 159.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1719 L1720 | A1698-I1719 CarbonylContact O-C 3.59Å; A1698-I1719 WeakPolarHBondContact O-CA 3.37Å; A1698-I1719 WeakPolarHBondContact O-CG2 3.42Å; A1698-L1720 PolarHBondContact N-O 2.76Å; A1698-L1720 PolarHBondContact O-N 3.11Å |
| 1699 | Y | 67.3 | Low | 51.2 | Low | 52 Ų | 52 | 70 Ų | 70 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.3 | 179.5 | -58.3 | -55.3 | 0 | 0 | 0 | 112.1 | C1606 P1608 L1717 L1718 I1719 L2089 | C1606-Y1699 PolarHBondContact O-OH 3Å; P1608-Y1699 HydrophobicContact CB-CE2 4.39Å; P1608-Y1699 WeakPolarHBondContact CD-OH 3.44Å; P1608-Y1699 HydrophobicContact CG-CD2 4.06Å; P1608-Y1699 HydrophobicContact CG-CE2 3.57Å; Y1699-L1717 HydrophobicContact CG-CD2 4.4Å; Y1699-L1718 WeakPolarHBondContact CA-O 3.31Å; Y1699-I1719 HydrophobicContact CD1-CG1 4.09Å; Y1699-I1719 HydrophobicContact CD1-CG2 4.27Å; Y1699-I1719 HydrophobicContact CE1-CD1 4.31Å; Y1699-I1719 HydrophobicContact CE1-CG1 4.08Å; Y1699-I1719 HydrophobicContact CE1-CG2 4.27Å; Y1699-L2089 HydrophobicContact CD1-CB 4.39Å; Y1699-L2089 HydrophobicContact CE1-CB 3.65Å; Y1699-L2089 HydrophobicContact CE1-CD2 4.5Å |
| 1700 | L | 58 | Low | 50.6 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122 | 175.3 | -173.9 | 93.6 | 0 | 0 | 0 | 109.5 | I1702 L1717 L1718 L1720 F1760 L1774 | L1700-I1702 HydrophobicContact CD2-CD1 3.85Å; L1700-I1702 HydrophobicContact CD2-CG1 3.89Å; L1700-I1702 HydrophobicContact CG-CG1 4.49Å; L1700-L1717 VanDerWaalsContact O-CA 3.3Å; L1700-L1717 WeakPolarHBondContact O-CA 3.49Å; L1700-L1717 WeakPolarHBondContact O-CD2 3.44Å; L1700-L1717 WeakPolarHBondContact O-CG 3.41Å; L1700-L1718 HydrophobicContact CB-CB 4.46Å; L1700-L1718 HydrophobicContact CD2-CD1 4.38Å; L1700-L1718 PolarHBondContact N-O 2.89Å; L1700-L1718 PolarHBondContact O-N 2.9Å; L1700-L1720 HydrophobicContact CB-CD1 4.14Å; L1700-L1720 HydrophobicContact CB-CG 4.42Å; L1700-L1720 HydrophobicContact CD1-CD1 4.09Å; L1700-F1760 HydrophobicContact CD1-CB 4.09Å; L1700-L1774 HydrophobicContact CD2-CD1 3.5Å; L1700-L1774 VanDerWaalsContact CD2-CD1 3.5Å |
| 1701 | K | 55.9 | Low | 50.1 | Low | 56 Ų | 56 | 57.8 Ų | 57.8 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 109.4 | 178.2 | -165.9 | 175.1 | -154.5 | -155.5 | 0 | 111.3 | M1715 L1717 L2091 N2092 | K1701-M1715 HydrophobicContact CD-CB 4.46Å; K1701-M1715 HydrophobicContact CD-SD 3.59Å; K1701-M1715 VanDerWaalsContact CD-SD 3.59Å; K1701-M1715 WeakPolarHBondContact CE-SD 3.44Å; K1701-M1715 HydrophobicContact CG-CB 4.13Å; K1701-M1715 HydrophobicContact CG-SD 3.96Å; K1701-M1715 PolarHBondContact NZ-SD 2.83Å; K1701-L1717 HydrophobicContact CB-CD1 3.9Å; K1701-L1717 HydrophobicContact CB-CD2 4.37Å; K1701-L1717 HydrophobicContact CB-CG 3.88Å; K1701-L1717 HydrophobicContact CD-CD1 3.66Å; K1701-L1717 HydrophobicContact CG-CD1 3.52Å; K1701-L1717 HydrophobicContact CG-CG 3.92Å; K1701-L2091 WeakPolarHBondContact CE-O 3.47Å; K1701-L2091 PolarHBondContact NZ-O 3.03Å; K1701-N2092 PolarHBondContact NZ-OD1 2.91Å |
| 1702 | I | 51.8 | Low | 49 | Very low | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 130.4 | -179 | -67 | 153.3 | 0 | 0 | 0 | 109 | L1700 M1715 T1716 L1718 I1776 | L1700-I1702 HydrophobicContact CD2-CD1 3.85Å; L1700-I1702 HydrophobicContact CD2-CG1 3.89Å; L1700-I1702 HydrophobicContact CG-CG1 4.49Å; I1702-M1715 VanDerWaalsContact O-CA 3.25Å; I1702-M1715 WeakPolarHBondContact O-CA 3.45Å; I1702-T1716 PolarHBondContact N-O 2.94Å; I1702-T1716 PolarHBondContact O-N 2.87Å; I1702-L1718 HydrophobicContact CD1-CD1 4Å; I1702-I1776 HydrophobicContact CD1-CD1 3.55Å |
| 1703 | T | 42.4 | Very low | 47.8 | Very low | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.5 | 177.6 | 43 | 0 | 0 | 0 | 0 | 110.6 | K1705 M1715 | T1703-K1705 PolarHBondContact O-N 2.97Å; T1703-M1715 HydrophobicContact CG2-CE 3.84Å; T1703-M1715 HydrophobicContact CG2-CG 3.93Å; T1703-M1715 HydrophobicContact CG2-SD 3.62Å |
| 1704 | T | 42.2 | Very low | 46.3 | Very low | 45 Ų | 45 | 55.2 Ų | 55.2 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | trans | -76.9 | 121.3 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | Y1706 K1714 | T1704-Y1706 VanDerWaalsContact C-N 3.29Å; T1704-Y1706 PolarHBondContact O-N 3.39Å; T1704-K1714 PolarHBondContact N-O 2.87Å; T1704-K1714 WeakPolarHBondContact OG1-CG 3.15Å; T1704-K1714 PolarHBondContact OG1-O 2.96Å | ||
| 1705 | K | 34.3 | Very low | 45 | Very low | 130 Ų | 130 | 56.8 Ų | 56.8 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | trans | -84.4 | 33.1 | -156.7 | -145.5 | -179.4 | -169 | 179 | 0 | 115.7 | T1703 P1757 | T1703-K1705 PolarHBondContact O-N 2.97Å; K1705-P1757 HydrophobicContact CD-CG 4.17Å | ||
| 1706 | Y | 32.9 | Very low | 44.2 | Very low | 114 Ų | 114 | 55.4 Ų | 55.4 | 45% | 0.447 | 27% | 0.266 | S | S | . | . | trans | -132.1 | 153.8 | -175.3 | -76.3 | -73.2 | 0 | 0 | 0 | 115 | T1704 I2270 P2271 | T1704-Y1706 VanDerWaalsContact C-N 3.29Å; T1704-Y1706 PolarHBondContact O-N 3.39Å; Y1706-I2270 HydrophobicContact CD1-CG2 4.37Å; Y1706-I2270 HydrophobicContact CE1-CG2 3.68Å; Y1706-I2270 HydrophobicContact CE2-CB 4.4Å; Y1706-I2270 HydrophobicContact CE2-CG1 3.9Å; Y1706-I2270 HydrophobicContact CE2-CG2 4.34Å; Y1706-P2271 HydrophobicContact CG-CG 4.35Å | ||
| 1707 | E | 28.1 | Very low | 43.8 | Very low | 40 Ų | 40 | 54.5 Ų | 54.5 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | trans | 70.3 | 57.1 | 175.8 | -50.3 | -160.9 | -118.5 | 0 | 0 | 118.1 | Y1709 T1710 P2199 N2202 P2271 | E1707-Y1709 PolarHBondContact O-N 3.03Å; E1707-T1710 HydrophobicContact CB-CG2 4.41Å; E1707-T1710 WeakPolarHBondContact CB-OG1 3.1Å; E1707-T1710 PolarHBondContact O-N 3.13Å; E1707-T1710 VanDerWaalsContact O-N 3.1Å; E1707-T1710 PolarHBondContact O-OG1 3.5Å; E1707-P2199 HydrophobicContact CB-CG 4.16Å; E1707-N2202 PolarHBondContact OE2-ND2 3.23Å; E1707-P2271 HydrophobicContact CG-CG 4.37Å | ||
| 1708 | Y | 30.3 | Very low | 43.6 | Very low | 195 Ų | 195 | 53.9 Ų | 53.9 | 77% | 0.765 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -13.1 | 174.9 | -113.2 | -84.5 | 0 | 0 | 0 | 117.6 | ||
| 1709 | Y | 29.7 | Very low | 43.8 | Very low | 192 Ų | 192 | 52.6 Ų | 52.6 | 75% | 0.753 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 22.2 | -179.1 | -73.4 | -78 | 0 | 0 | 0 | 112.6 | E1707 Q2201 | E1707-Y1709 PolarHBondContact O-N 3.03Å; Y1709-Q2201 PolarHBondContact O-OE1 2.99Å |
| 1710 | T | 27.1 | Very low | 44 | Very low | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -138.4 | 144.6 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | E1707 I1712 P2199 Q2201 N2202 | E1707-T1710 HydrophobicContact CB-CG2 4.41Å; E1707-T1710 WeakPolarHBondContact CB-OG1 3.1Å; E1707-T1710 PolarHBondContact O-N 3.13Å; E1707-T1710 VanDerWaalsContact O-N 3.1Å; E1707-T1710 PolarHBondContact O-OG1 3.5Å; T1710-I1712 PolarHBondContact O-N 2.69Å; T1710-P2199 WeakPolarHBondContact OG1-CB 3.43Å; T1710-P2199 WeakPolarHBondContact OG1-CG 3.45Å; T1710-Q2201 HydrophobicContact CG2-CB 4.11Å; T1710-N2202 HydrophobicContact CG2-CB 3.52Å; T1710-N2202 VanDerWaalsContact CG2-N 3.35Å; T1710-N2202 WeakPolarHBondContact CG2-ND2 3.06Å |
| 1711 | T | 33.1 | Very low | 44.7 | Very low | 25 Ų | 25 | 50.1 Ų | 50.1 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -68.9 | -22.8 | -136.9 | -1 | 0 | 0 | 0 | 0 | 117.2 | Q2096 P2097 Q2201 | T1711-Q2096 HydrophobicContact CG2-CB 4.49Å; T1711-Q2096 HydrophobicContact CG2-CG 3.68Å; T1711-Q2096 PolarHBondContact OG1-NE2 3.06Å; T1711-Q2096 VanDerWaalsContact OG1-NE2 3.09Å; T1711-P2097 VanDerWaalsContact CG2-CD 3.45Å; T1711-P2097 HydrophobicContact CG2-CG 4.37Å; T1711-Q2201 VanDerWaalsContact CA-OE1 3.24Å; T1711-Q2201 HydrophobicContact CG2-CG 4.36Å; T1711-Q2201 VanDerWaalsContact CG2-OE1 3.25Å; T1711-Q2201 VanDerWaalsContact N-OE1 3.12Å; T1711-Q2201 WeakPolarHBondContact OG1-CB 3.41Å; T1711-Q2201 PolarHBondContact OG1-OE1 3.31Å |
| 1712 | I | 30.2 | Very low | 45.5 | Very low | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | trans | -141.4 | 111.9 | -178.5 | -65.5 | 78.6 | 0 | 0 | 0 | 112.4 | T1710 Y2094 S2095 F2197 P2199 | T1710-I1712 PolarHBondContact O-N 2.69Å; I1712-Y2094 HydrophobicContact CB-CD2 3.42Å; I1712-Y2094 VanDerWaalsContact CB-CD2 3.42Å; I1712-Y2094 HydrophobicContact CB-CE2 3.73Å; I1712-Y2094 HydrophobicContact CB-CG 4.11Å; I1712-Y2094 HydrophobicContact CD1-CD1 3.73Å; I1712-Y2094 HydrophobicContact CD1-CD2 3.52Å; I1712-Y2094 HydrophobicContact CD1-CE1 3.62Å; I1712-Y2094 HydrophobicContact CD1-CE2 3.42Å; I1712-Y2094 VanDerWaalsContact CD1-CE2 3.42Å; I1712-Y2094 HydrophobicContact CD1-CG 3.64Å; I1712-Y2094 VanDerWaalsContact CD1-CZ 3.44Å; I1712-Y2094 HydrophobicContact CG1-CD1 4.1Å; I1712-Y2094 HydrophobicContact CG1-CD2 3.3Å; I1712-Y2094 HydrophobicContact CG1-CE1 4.41Å; I1712-Y2094 HydrophobicContact CG1-CE2 3.69Å; I1712-Y2094 HydrophobicContact CG1-CG 3.49Å; I1712-Y2094 VanDerWaalsContact CG1-CG 3.49Å; I1712-Y2094 HydrophobicContact CG2-CD2 3.66Å; I1712-Y2094 HydrophobicContact CG2-CE2 4.42Å; I1712-Y2094 HydrophobicContact CG2-CG 4.23Å; I1712-S2095 VanDerWaalsContact CD1-O 3.31Å; I1712-S2095 WeakPolarHBondContact CD1-O 3.45Å; I1712-F2197 HydrophobicContact CG2-CD2 4.32Å; I1712-P2199 WeakPolarHBondContact O-CB 3.43Å | ||
| 1713 | P | 31.9 | Very low | 46.5 | Very low | 64 Ų | 64 | 47.6 Ų | 47.6 | 42% | 0.416 | 22% | 0.22 | S | C | . | . | trans | -75 | 153.3 | 170.6 | 31.9 | -34.6 | 0 | 0 | 0 | 112.3 | M1715 N2092 | P1713-M1715 HydrophobicContact CG-CE 4.2Å; P1713-N2092 PolarHBondContact O-ND2 3.48Å; P1713-N2092 VanDerWaalsContact O-ND2 3.16Å | ||
| 1714 | K | 35.5 | Very low | 47.7 | Very low | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | trans | -102 | 136 | -169 | 3.8 | 169.2 | 73.7 | -139.8 | 0 | 111.1 | T1704 D2196 F2197 M2226 | T1704-K1714 PolarHBondContact N-O 2.87Å; T1704-K1714 WeakPolarHBondContact OG1-CG 3.15Å; T1704-K1714 PolarHBondContact OG1-O 2.96Å; K1714-D2196 VanDerWaalsContact C-OD1 3.24Å; K1714-D2196 WeakPolarHBondContact CA-OD1 3.49Å; K1714-D2196 HydrophobicContact CB-CB 3.38Å; K1714-D2196 WeakPolarHBondContact CB-OD1 3.44Å; K1714-D2196 HydrophobicContact CD-CB 3.97Å; K1714-D2196 VanDerWaalsContact CE-C 3.48Å; K1714-D2196 WeakPolarHBondContact CE-O 3.28Å; K1714-D2196 HydrophobicContact CG-CB 4.24Å; K1714-D2196 PolarHBondContact NZ-O 3.27Å; K1714-F2197 WeakPolarHBondContact CE-O 3.36Å; K1714-F2197 VanDerWaalsContact CG-O 3.32Å; K1714-F2197 WeakPolarHBondContact CG-O 3.31Å; K1714-M2226 PolarHBondContact NZ-O 2.86Å; K1714-M2226 PolarHBondContact NZ-SD 2.81Å | ||
| 1715 | M | 42.8 | Very low | 48.8 | Very low | 45 Ų | 45 | 48.9 Ų | 48.9 | 22% | 0.222 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 122 | -169.3 | -54.6 | -167.4 | -159.4 | 0 | 0 | 113.7 | K1701 I1702 T1703 P1713 D2196 | K1701-M1715 HydrophobicContact CD-CB 4.46Å; K1701-M1715 HydrophobicContact CD-SD 3.59Å; K1701-M1715 VanDerWaalsContact CD-SD 3.59Å; K1701-M1715 WeakPolarHBondContact CE-SD 3.44Å; K1701-M1715 HydrophobicContact CG-CB 4.13Å; K1701-M1715 HydrophobicContact CG-SD 3.96Å; K1701-M1715 PolarHBondContact NZ-SD 2.83Å; I1702-M1715 VanDerWaalsContact O-CA 3.25Å; I1702-M1715 WeakPolarHBondContact O-CA 3.45Å; T1703-M1715 HydrophobicContact CG2-CE 3.84Å; T1703-M1715 HydrophobicContact CG2-CG 3.93Å; T1703-M1715 HydrophobicContact CG2-SD 3.62Å; P1713-M1715 HydrophobicContact CG-CE 4.2Å; M1715-D2196 PolarHBondContact N-OD1 3.08Å |
| 1716 | T | 49 | Very low | 50.3 | Low | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.5 | 173.8 | 54 | 0 | 0 | 0 | 0 | 110.6 | I1702 H2194 | I1702-T1716 PolarHBondContact N-O 2.94Å; I1702-T1716 PolarHBondContact O-N 2.87Å; T1716-H2194 HydrophobicContact CG2-CB 3.53Å |
| 1717 | L | 57.3 | Low | 52.1 | Low | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.5 | -174.6 | -118.6 | 140.6 | 0 | 0 | 0 | 112.1 | Y1699 L1700 K1701 C2090 | Y1699-L1717 HydrophobicContact CG-CD2 4.4Å; L1700-L1717 VanDerWaalsContact O-CA 3.3Å; L1700-L1717 WeakPolarHBondContact O-CA 3.49Å; L1700-L1717 WeakPolarHBondContact O-CD2 3.44Å; L1700-L1717 WeakPolarHBondContact O-CG 3.41Å; K1701-L1717 HydrophobicContact CB-CD1 3.9Å; K1701-L1717 HydrophobicContact CB-CD2 4.37Å; K1701-L1717 HydrophobicContact CB-CG 3.88Å; K1701-L1717 HydrophobicContact CD-CD1 3.66Å; K1701-L1717 HydrophobicContact CG-CD1 3.52Å; K1701-L1717 HydrophobicContact CG-CG 3.92Å; L1717-C2090 HydrophobicContact CB-CB 3.19Å; L1717-C2090 HydrophobicContact CD1-CB 3.48Å; L1717-C2090 VanDerWaalsContact CD1-CB 3.48Å; L1717-C2090 HydrophobicContact CD2-CB 3.91Å; L1717-C2090 HydrophobicContact CG-CB 3.66Å |
| 1718 | L | 67 | Low | 54.3 | Low | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 159.9 | -177.7 | -60.3 | 173.1 | 0 | 0 | 0 | 109.3 | Y1699 L1700 I1702 I1730 D1732 L1739 | Y1699-L1718 WeakPolarHBondContact CA-O 3.31Å; L1700-L1718 HydrophobicContact CB-CB 4.46Å; L1700-L1718 HydrophobicContact CD2-CD1 4.38Å; L1700-L1718 PolarHBondContact N-O 2.89Å; L1700-L1718 PolarHBondContact O-N 2.9Å; I1702-L1718 HydrophobicContact CD1-CD1 4Å; L1718-I1730 HydrophobicContact CB-CG2 4.27Å; L1718-I1730 HydrophobicContact CD1-CG2 3.96Å; L1718-D1732 HydrophobicContact CD2-CB 4.26Å; L1718-L1739 HydrophobicContact CD2-CD1 3.87Å |
| 1719 | I | 72.5 | Confident | 56.3 | Low | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.5 | 169.3 | -36.7 | 176.9 | 0 | 0 | 0 | 108.2 | A1697 A1698 Y1699 V1721 I1730 W1731 V1733 L2089 | A1697-I1719 HydrophobicContact CB-CG2 4.28Å; A1698-I1719 CarbonylContact O-C 3.59Å; A1698-I1719 WeakPolarHBondContact O-CA 3.37Å; A1698-I1719 WeakPolarHBondContact O-CG2 3.42Å; Y1699-I1719 HydrophobicContact CD1-CG1 4.09Å; Y1699-I1719 HydrophobicContact CD1-CG2 4.27Å; Y1699-I1719 HydrophobicContact CE1-CD1 4.31Å; Y1699-I1719 HydrophobicContact CE1-CG1 4.08Å; Y1699-I1719 HydrophobicContact CE1-CG2 4.27Å; I1719-V1721 HydrophobicContact CB-CG2 4.38Å; I1719-V1721 HydrophobicContact CG2-CG2 3.71Å; I1719-I1730 CarbonylContact O-C 2.9Å; I1719-I1730 WeakPolarHBondContact O-CA 3.36Å; I1719-W1731 HydrophobicContact CB-CB 4.22Å; I1719-W1731 PolarHBondContact N-O 3.38Å; I1719-W1731 PolarHBondContact O-N 3.2Å; I1719-V1733 HydrophobicContact CD1-CG2 4.21Å; I1719-V1733 HydrophobicContact CG1-CG2 3.63Å; I1719-L2089 HydrophobicContact CD1-CD1 3.51Å |
| 1720 | L | 72.4 | Confident | 58.5 | Low | 4 Ų | 4 | 19.9 Ų | 19.9 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.7 | 169.2 | -59.3 | 174.3 | 0 | 0 | 0 | 106.8 | A1697 A1698 L1700 I1728 I1730 I1752 F1760 | A1697-L1720 WeakPolarHBondContact CA-O 3.4Å; A1698-L1720 PolarHBondContact N-O 2.76Å; A1698-L1720 PolarHBondContact O-N 3.11Å; L1700-L1720 HydrophobicContact CB-CD1 4.14Å; L1700-L1720 HydrophobicContact CB-CG 4.42Å; L1700-L1720 HydrophobicContact CD1-CD1 4.09Å; L1720-I1728 HydrophobicContact CB-CG2 4.46Å; L1720-I1728 HydrophobicContact CD2-CG2 4.22Å; L1720-I1730 HydrophobicContact CD2-CB 4.13Å; L1720-I1730 HydrophobicContact CD2-CD1 4.3Å; L1720-I1730 HydrophobicContact CD2-CG1 3.68Å; L1720-I1730 HydrophobicContact CD2-CG2 3.99Å; L1720-I1752 HydrophobicContact CB-CD1 4.01Å; L1720-I1752 HydrophobicContact CB-CG2 4.02Å; L1720-I1752 HydrophobicContact CD1-CG2 3.45Å; L1720-I1752 VanDerWaalsContact CD1-CG2 3.45Å; L1720-I1752 HydrophobicContact CG-CG2 4.35Å; L1720-F1760 HydrophobicContact CD1-CD2 4.3Å; L1720-F1760 HydrophobicContact CD1-CG 4.39Å |
| 1721 | V | 72.1 | Confident | 60.4 | Low | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.012 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.9 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | I1638 F1694 A1697 I1719 S1729 W1731 | I1638-V1721 HydrophobicContact CD1-CG1 4.34Å; I1638-V1721 HydrophobicContact CD1-CG2 4.18Å; F1694-V1721 HydrophobicContact CB-CG1 4.19Å; F1694-V1721 HydrophobicContact CD1-CG1 3.59Å; F1694-V1721 HydrophobicContact CD2-CG1 4.5Å; F1694-V1721 HydrophobicContact CE1-CG1 4.04Å; F1694-V1721 HydrophobicContact CG-CG1 3.86Å; A1697-V1721 HydrophobicContact CB-CB 4.43Å; A1697-V1721 HydrophobicContact CB-CG1 4.35Å; A1697-V1721 HydrophobicContact CB-CG2 3.91Å; I1719-V1721 HydrophobicContact CB-CG2 4.38Å; I1719-V1721 HydrophobicContact CG2-CG2 3.71Å; V1721-S1729 PolarHBondContact N-O 3.45Å; V1721-S1729 PolarHBondContact O-N 2.96Å; V1721-S1729 PolarHBondContact O-OG 2.73Å; V1721-W1731 HydrophobicContact CG2-CG 4.43Å |
| 1722 | S | 72.4 | Confident | 61.9 | Low | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 142.4 | 177.9 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | C1695 S1696 I1749 | C1695-S1722 PolarHBondContact N-O 2.73Å; S1696-S1722 PolarHBondContact O-N 3.33Å; S1696-S1722 PolarHBondContact O-OG 2.73Å; S1722-I1749 PolarHBondContact OG-O 2.94Å |
| 1723 | D | 73.3 | Confident | 63.5 | Low | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 167.6 | 167.5 | 79.2 | 2.1 | 0 | 0 | 0 | 112.3 | E1693 F1694 F1725 G1726 N1727 | E1693-D1723 WeakPolarHBondContact O-CA 3.42Å; F1694-D1723 HydrophobicContact CD1-CB 4.46Å; D1723-F1725 PolarHBondContact O-N 3.36Å; D1723-F1725 WeakPolarHBondContact OD1-CA 3.37Å; D1723-F1725 PolarHBondContact OD1-N 3.25Å; D1723-G1726 PolarHBondContact O-N 2.94Å; D1723-G1726 PolarHBondContact OD1-N 2.9Å; D1723-N1727 PolarHBondContact N-O 2.73Å; D1723-N1727 PolarHBondContact OD1-N 2.95Å; D1723-N1727 PolarHBondContact OD1-ND2 3.04Å; D1723-N1727 PolarHBondContact OD2-ND2 3.13Å |
| 1724 | N | 68.2 | Low | 64.7 | Low | 47 Ų | 47 | 16.3 Ų | 16.3 | 25% | 0.251 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -0.9 | 174.5 | 60.8 | -25.2 | 0 | 0 | 0 | 115.6 | N1691 T1692 E1693 | N1691-N1724 PolarHBondContact O-ND2 2.99Å; T1692-N1724 WeakPolarHBondContact CA-OD1 3.36Å; E1693-N1724 PolarHBondContact N-OD1 3.31Å; E1693-N1724 PolarHBondContact O-N 3.47Å; E1693-N1724 PolarHBondContact O-OD1 2.65Å |
| 1725 | F | 64.1 | Low | 65.7 | Low | 86 Ų | 86 | 16.5 Ų | 16.5 | 38% | 0.377 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -11.4 | 179.7 | -65.5 | -70.5 | 0 | 0 | 0 | 114.5 | N1691 T1692 D1723 C1746 S1747 | N1691-F1725 WeakPolarHBondContact O-CE2 3.48Å; T1692-F1725 HydrophobicContact CG2-CD2 4.11Å; T1692-F1725 HydrophobicContact CG2-CE2 4.15Å; D1723-F1725 PolarHBondContact O-N 3.36Å; D1723-F1725 WeakPolarHBondContact OD1-CA 3.37Å; D1723-F1725 PolarHBondContact OD1-N 3.25Å; F1725-C1746 CarbonylContact O-C 3.41Å; F1725-C1746 VanDerWaalsContact O-C 3.23Å; F1725-S1747 PolarHBondContact O-N 2.76Å; F1725-S1747 VanDerWaalsContact O-N 3.13Å |
| 1726 | G | 66.4 | Low | 66.8 | Low | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | 97.2 | 16.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1723 A1744 E1745 S1747 I1749 | D1723-G1726 PolarHBondContact O-N 2.94Å; D1723-G1726 PolarHBondContact OD1-N 2.9Å; G1726-A1744 PolarHBondContact O-N 3.13Å; G1726-E1745 CarbonylContact C-O 3.52Å; G1726-E1745 PolarHBondContact O-N 3.08Å; G1726-S1747 WeakPolarHBondContact CA-O 3.04Å; G1726-I1749 WeakPolarHBondContact O-CD1 3.4Å |
| 1727 | N | 70.9 | Confident | 67.1 | Low | 53 Ų | 53 | 17 Ų | 17 | 28% | 0.283 | 9% | 0.087 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.3 | 165.8 | -54.6 | -65.2 | 0 | 0 | 0 | 109.7 | D1723 S1743 | D1723-N1727 PolarHBondContact N-O 2.73Å; D1723-N1727 PolarHBondContact OD1-N 2.95Å; D1723-N1727 PolarHBondContact OD1-ND2 3.04Å; D1723-N1727 PolarHBondContact OD2-ND2 3.13Å; N1727-S1743 WeakPolarHBondContact OD1-CA 3.31Å; N1727-S1743 VanDerWaalsContact OD1-CB 3.31Å; N1727-S1743 WeakPolarHBondContact OD1-CB 3.38Å |
| 1728 | I | 75.1 | Confident | 67.7 | Low | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.3 | 169.7 | -62 | 178.1 | 0 | 0 | 0 | 108 | L1720 N1741 F1742 A1744 I1749 I1752 F1760 T1762 | L1720-I1728 HydrophobicContact CB-CG2 4.46Å; L1720-I1728 HydrophobicContact CD2-CG2 4.22Å; I1728-N1741 WeakPolarHBondContact O-CA 3.13Å; I1728-F1742 HydrophobicContact CB-CD1 4.3Å; I1728-F1742 HydrophobicContact CB-CE1 3.65Å; I1728-F1742 HydrophobicContact CB-CE2 4.19Å; I1728-F1742 HydrophobicContact CB-CZ 3.57Å; I1728-F1742 HydrophobicContact CD1-CE2 4.09Å; I1728-F1742 HydrophobicContact CD1-CZ 3.75Å; I1728-F1742 HydrophobicContact CG1-CZ 4.16Å; I1728-F1742 HydrophobicContact CG2-CE1 3.68Å; I1728-F1742 HydrophobicContact CG2-CZ 3.79Å; I1728-F1742 PolarHBondContact N-O 2.82Å; I1728-F1742 PolarHBondContact O-N 3.26Å; I1728-F1742 VanDerWaalsContact O-N 3.08Å; I1728-A1744 HydrophobicContact CD1-CB 3.84Å; I1728-A1744 HydrophobicContact CG1-CB 4.03Å; I1728-I1749 HydrophobicContact CD1-CD1 3.87Å; I1728-I1749 HydrophobicContact CG1-CD1 3.51Å; I1728-I1752 HydrophobicContact CD1-CD1 4.01Å; I1728-I1752 HydrophobicContact CG1-CD1 4.17Å; I1728-I1752 HydrophobicContact CG2-CD1 4.37Å; I1728-F1760 HydrophobicContact CD1-CE2 4.28Å; I1728-T1762 HydrophobicContact CD1-CG2 3.34Å |
| 1729 | S | 71.8 | Confident | 67.5 | Low | 9 Ų | 9 | 16.5 Ų | 16.5 | 6% | 0.063 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118 | 171.8 | 56 | 0 | 0 | 0 | 0 | 109.2 | V1721 W1731 N1741 | V1721-S1729 PolarHBondContact N-O 3.45Å; V1721-S1729 PolarHBondContact O-N 2.96Å; V1721-S1729 PolarHBondContact O-OG 2.73Å; S1729-W1731 VanDerWaalsContact CB-NE1 3.34Å; S1729-W1731 PolarHBondContact OG-NE1 2.85Å; S1729-N1741 WeakPolarHBondContact CA-OD1 3.33Å; S1729-N1741 WeakPolarHBondContact CB-OD1 3.31Å |
| 1730 | I | 74.8 | Confident | 67.2 | Low | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 111.4 | 173.6 | -48.1 | -172.4 | 0 | 0 | 0 | 106.6 | L1718 I1719 L1720 C1738 L1739 H1740 F1742 L1774 I1806 V1808 | L1718-I1730 HydrophobicContact CB-CG2 4.27Å; L1718-I1730 HydrophobicContact CD1-CG2 3.96Å; I1719-I1730 CarbonylContact O-C 2.9Å; I1719-I1730 WeakPolarHBondContact O-CA 3.36Å; L1720-I1730 HydrophobicContact CD2-CB 4.13Å; L1720-I1730 HydrophobicContact CD2-CD1 4.3Å; L1720-I1730 HydrophobicContact CD2-CG1 3.68Å; L1720-I1730 HydrophobicContact CD2-CG2 3.99Å; I1730-C1738 CarbonylContact O-C 3.59Å; I1730-L1739 PolarHBondContact O-N 3.31Å; I1730-H1740 HydrophobicContact CB-CB 4.46Å; I1730-H1740 HydrophobicContact CD1-CB 4.29Å; I1730-H1740 HydrophobicContact CG1-CB 4.44Å; I1730-H1740 PolarHBondContact N-O 2.98Å; I1730-H1740 PolarHBondContact O-N 2.93Å; I1730-F1742 HydrophobicContact CD1-CE1 4.08Å; I1730-F1742 HydrophobicContact CG1-CE1 4.06Å; I1730-L1774 HydrophobicContact CD1-CD2 3.94Å; I1730-I1806 HydrophobicContact CD1-CD1 4.34Å; I1730-I1806 HydrophobicContact CD1-CG2 4.11Å; I1730-I1806 HydrophobicContact CG2-CD1 4.47Å; I1730-V1808 HydrophobicContact CD1-CG2 4.35Å |
| 1731 | W | 67.3 | Low | 67.1 | Low | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.6 | 175.2 | -61.7 | 71.6 | 0 | 0 | 0 | 109.9 | I1638 N1680 F1694 I1719 V1721 S1729 H1736 M1737 C1738 | I1638-W1731 HydrophobicContact CD1-CD2 4.3Å; I1638-W1731 HydrophobicContact CD1-CH2 4.35Å; I1638-W1731 HydrophobicContact CD1-CZ2 3.91Å; N1680-W1731 VanDerWaalsContact OD1-CH2 3.22Å; N1680-W1731 WeakPolarHBondContact OD1-CH2 3.37Å; N1680-W1731 WeakPolarHBondContact OD1-CZ2 3.42Å; F1694-W1731 HydrophobicContact CZ-CZ2 4.1Å; I1719-W1731 HydrophobicContact CB-CB 4.22Å; I1719-W1731 PolarHBondContact N-O 3.38Å; I1719-W1731 PolarHBondContact O-N 3.2Å; V1721-W1731 HydrophobicContact CG2-CG 4.43Å; S1729-W1731 VanDerWaalsContact CB-NE1 3.34Å; S1729-W1731 PolarHBondContact OG-NE1 2.85Å; W1731-H1736 WeakPolarHBondContact CZ3-O 3.38Å; W1731-M1737 WeakPolarHBondContact CA-O 3.22Å; W1731-M1737 VanDerWaalsContact CE3-C 3.49Å; W1731-C1738 HydrophobicContact CD2-CB 4.38Å; W1731-C1738 VanDerWaalsContact CE3-N 3.34Å |
| 1732 | D | 65.9 | Low | 66.9 | Low | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120 | 164.4 | 163 | 34.5 | 0 | 0 | 0 | 108.6 | L1718 N1734 S1735 H1736 M1737 L1739 | L1718-D1732 HydrophobicContact CD2-CB 4.26Å; D1732-N1734 PolarHBondContact O-N 2.87Å; D1732-N1734 VanDerWaalsContact O-N 3.12Å; D1732-N1734 WeakPolarHBondContact OD1-CB 3.31Å; D1732-N1734 PolarHBondContact OD1-N 2.9Å; D1732-N1734 PolarHBondContact OD1-ND2 2.88Å; D1732-S1735 WeakPolarHBondContact CB-OG 3.46Å; D1732-S1735 PolarHBondContact O-N 3.49Å; D1732-S1735 WeakPolarHBondContact OD2-CB 3.39Å; D1732-S1735 PolarHBondContact OD2-N 2.91Å; D1732-S1735 PolarHBondContact OD2-OG 3.42Å; D1732-H1736 PolarHBondContact O-N 3.34Å; D1732-M1737 PolarHBondContact N-O 3.43Å; D1732-M1737 VanDerWaalsContact N-O 3.12Å; D1732-L1739 HydrophobicContact CB-CD1 3.84Å; D1732-L1739 HydrophobicContact CB-CD2 3.76Å; D1732-L1739 HydrophobicContact CB-CG 3.69Å |
| 1733 | V | 63.3 | Low | 66.6 | Low | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | -46 | 172.7 | 164 | 0 | 0 | 0 | 0 | 111 | I1719 L2089 C2090 V2137 | I1719-V1733 HydrophobicContact CD1-CG2 4.21Å; I1719-V1733 HydrophobicContact CG1-CG2 3.63Å; V1733-L2089 HydrophobicContact CB-CB 4.08Å; V1733-L2089 HydrophobicContact CG1-CB 3.46Å; V1733-L2089 VanDerWaalsContact CG1-CB 3.46Å; V1733-L2089 HydrophobicContact CG1-CD1 4.15Å; V1733-L2089 HydrophobicContact CG1-CG 3.97Å; V1733-L2089 HydrophobicContact CG2-CB 3.65Å; V1733-C2090 HydrophobicContact CG1-CB 4.32Å; V1733-C2090 WeakPolarHBondContact CG1-SG 3.33Å; V1733-C2090 HydrophobicContact CG2-CB 4.38Å; V1733-V2137 WeakPolarHBondContact CG1-O 3.41Å |
| 1734 | N | 57.5 | Low | 66.1 | Low | 17 Ų | 17 | 28.2 Ų | 28.2 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -77 | -174.8 | -36.6 | -30.6 | 0 | 0 | 0 | 106.6 | D1732 H1736 V2137 E2140 N2141 | D1732-N1734 PolarHBondContact O-N 2.87Å; D1732-N1734 VanDerWaalsContact O-N 3.12Å; D1732-N1734 WeakPolarHBondContact OD1-CB 3.31Å; D1732-N1734 PolarHBondContact OD1-N 2.9Å; D1732-N1734 PolarHBondContact OD1-ND2 2.88Å; N1734-H1736 PolarHBondContact O-N 3.32Å; N1734-V2137 HydrophobicContact CB-CG1 3.58Å; N1734-V2137 WeakPolarHBondContact OD1-CB 3.32Å; N1734-V2137 WeakPolarHBondContact OD1-CG1 3.25Å; N1734-E2140 CarbonylContact O-C 3.57Å; N1734-E2140 PolarHBondContact O-N 3.31Å; N1734-N2141 VanDerWaalsContact C-N 3.3Å; N1734-N2141 WeakPolarHBondContact O-CA 3.29Å; N1734-N2141 PolarHBondContact O-N 3.19Å |
| 1735 | S | 56.3 | Low | 65.7 | Low | 19 Ų | 19 | 26.4 Ų | 26.4 | 13% | 0.133 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10.8 | -165.1 | 59 | 0 | 0 | 0 | 0 | 117.4 | D1732 M1737 N2141 | D1732-S1735 WeakPolarHBondContact CB-OG 3.46Å; D1732-S1735 PolarHBondContact O-N 3.49Å; D1732-S1735 WeakPolarHBondContact OD2-CB 3.39Å; D1732-S1735 PolarHBondContact OD2-N 2.91Å; D1732-S1735 PolarHBondContact OD2-OG 3.42Å; S1735-M1737 PolarHBondContact O-N 2.98Å; S1735-M1737 VanDerWaalsContact O-N 3.11Å; S1735-N2141 WeakPolarHBondContact CA-OD1 3.28Å; S1735-N2141 WeakPolarHBondContact CB-ND2 3.42Å; S1735-N2141 PolarHBondContact N-OD1 3.08Å |
| 1736 | H | 65.1 | Low | 65.4 | Low | 9 Ų | 9 | 28.6 Ų | 28.6 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 58.9 | 15.3 | -171.8 | -81.5 | -6 | 0 | 0 | 0 | 113.9 | F1640 K1679 W1731 D1732 N1734 A2139 E2140 | F1640-H1736 AromaticContact CD1-CE1 3.65Å; F1640-H1736 AromaticContact CD2-CD2 3.82Å; F1640-H1736 AromaticContact CD2-CE1 3.2Å; F1640-H1736 WeakPolarHBondContact CD2-CE1 3.26Å; F1640-H1736 AromaticContact CD2-ND1 3.98Å; F1640-H1736 AromaticContact CD2-NE2 3.09Å; F1640-H1736 WeakPolarHBondContact CD2-NE2 3.49Å; F1640-H1736 AromaticContact CE1-CE1 3.66Å; F1640-H1736 AromaticContact CE2-CD2 3.99Å; F1640-H1736 AromaticContact CE2-CE1 3.21Å; F1640-H1736 WeakPolarHBondContact CE2-CE1 3.38Å; F1640-H1736 AromaticContact CE2-CG 3.99Å; F1640-H1736 AromaticContact CE2-ND1 3.57Å; F1640-H1736 AromaticContact CE2-NE2 3.53Å; F1640-H1736 AromaticContact CG-CE1 3.4Å; F1640-H1736 VanDerWaalsContact CG-CE1 3.4Å; F1640-H1736 WeakPolarHBondContact CG-CE1 3.17Å; F1640-H1736 AromaticContact CG-NE2 3.42Å; F1640-H1736 WeakPolarHBondContact CG-NE2 3.41Å; F1640-H1736 AromaticContact CZ-CE1 3.43Å; F1640-H1736 VanDerWaalsContact CZ-CE1 3.43Å; F1640-H1736 WeakPolarHBondContact CZ-CE1 3.08Å; F1640-H1736 AromaticContact CZ-ND1 3.72Å; K1679-H1736 PolarHBondContact N-O 3.41Å; W1731-H1736 WeakPolarHBondContact CZ3-O 3.38Å; D1732-H1736 PolarHBondContact O-N 3.34Å; N1734-H1736 PolarHBondContact O-N 3.32Å; H1736-A2139 WeakPolarHBondContact CE1-CA 3.47Å; H1736-A2139 WeakPolarHBondContact CE1-CB 3.18Å; H1736-A2139 WeakPolarHBondContact NE2-CB 3.38Å; H1736-E2140 PolarHBondContact CD2-N 3.12Å |
| 1737 | M | 56.5 | Low | 65.1 | Low | 57 Ų | 57 | 30.1 Ų | 30.1 | 28% | 0.281 | 18% | 0.177 | S | C | . | . | B | Isolated β-bridge | trans | -102.9 | 142 | 175.1 | -59.4 | -58.8 | -55.7 | 0 | 0 | 109.3 | K1679 W1731 D1732 S1735 L1739 | K1679-M1737 HydrophobicContact CB-CE 4.13Å; K1679-M1737 HydrophobicContact CB-SD 3.55Å; K1679-M1737 VanDerWaalsContact CB-SD 3.55Å; K1679-M1737 HydrophobicContact CD-SD 4.05Å; K1679-M1737 HydrophobicContact CG-SD 4.45Å; W1731-M1737 WeakPolarHBondContact CA-O 3.22Å; W1731-M1737 VanDerWaalsContact CE3-C 3.49Å; D1732-M1737 PolarHBondContact N-O 3.43Å; D1732-M1737 VanDerWaalsContact N-O 3.12Å; S1735-M1737 PolarHBondContact O-N 2.98Å; S1735-M1737 VanDerWaalsContact O-N 3.11Å; M1737-L1739 PolarHBondContact O-N 3Å |
| 1738 | C | 68.2 | Low | 64.9 | Low | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.02 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 131.5 | 150.2 | 166.4 | 0 | 0 | 0 | 0 | 108.7 | W1681 I1730 W1731 N1741 | W1681-C1738 VanDerWaalsContact CE3-O 3.25Å; W1681-C1738 WeakPolarHBondContact CZ3-O 3.33Å; I1730-C1738 CarbonylContact O-C 3.59Å; W1731-C1738 HydrophobicContact CD2-CB 4.38Å; W1731-C1738 VanDerWaalsContact CE3-N 3.34Å; C1738-N1741 PolarHBondContact SG-OD1 2.94Å |
| 1739 | L | 64.6 | Low | 64.5 | Low | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -30.8 | 171.5 | -66.3 | -162.5 | 0 | 0 | 0 | 113.1 | W1681 L1718 I1730 D1732 M1737 I1803 I1806 | W1681-L1739 VanDerWaalsContact CZ3-O 3.23Å; W1681-L1739 WeakPolarHBondContact CZ3-O 3.48Å; L1718-L1739 HydrophobicContact CD2-CD1 3.87Å; I1730-L1739 PolarHBondContact O-N 3.31Å; D1732-L1739 HydrophobicContact CB-CD1 3.84Å; D1732-L1739 HydrophobicContact CB-CD2 3.76Å; D1732-L1739 HydrophobicContact CB-CG 3.69Å; M1737-L1739 PolarHBondContact O-N 3Å; L1739-I1803 HydrophobicContact CD1-CD1 3.68Å; L1739-I1806 HydrophobicContact CB-CD1 4.21Å; L1739-I1806 HydrophobicContact CD1-CD1 4.28Å |
| 1740 | H | 65.5 | Low | 64.2 | Low | 59 Ų | 59 | 32.4 Ų | 32.4 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 136.7 | -178.7 | -172.6 | 61.2 | 0 | 0 | 0 | 110.3 | I1730 F1742 I1806 | I1730-H1740 HydrophobicContact CB-CB 4.46Å; I1730-H1740 HydrophobicContact CD1-CB 4.29Å; I1730-H1740 HydrophobicContact CG1-CB 4.44Å; I1730-H1740 PolarHBondContact N-O 2.98Å; I1730-H1740 PolarHBondContact O-N 2.93Å; H1740-F1742 AromaticContact CD2-CD1 3.69Å; H1740-I1806 HydrophobicContact CB-CD1 4.38Å |
| 1741 | N | 70.1 | Confident | 63.8 | Low | 93 Ų | 93 | 33.2 Ų | 33.2 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.3 | 171.1 | -80.9 | -9.1 | 0 | 0 | 0 | 109 | I1728 S1729 C1738 | I1728-N1741 WeakPolarHBondContact O-CA 3.13Å; S1729-N1741 WeakPolarHBondContact CA-OD1 3.33Å; S1729-N1741 WeakPolarHBondContact CB-OD1 3.31Å; C1738-N1741 PolarHBondContact SG-OD1 2.94Å |
| 1742 | F | 67.2 | Low | 64.1 | Low | 25 Ų | 25 | 34 Ų | 34 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.9 | 172.6 | 64.3 | -75.6 | 0 | 0 | 0 | 110.8 | I1728 I1730 H1740 A1744 F1760 W1772 V1808 | I1728-F1742 HydrophobicContact CB-CD1 4.3Å; I1728-F1742 HydrophobicContact CB-CE1 3.65Å; I1728-F1742 HydrophobicContact CB-CE2 4.19Å; I1728-F1742 HydrophobicContact CB-CZ 3.57Å; I1728-F1742 HydrophobicContact CD1-CE2 4.09Å; I1728-F1742 HydrophobicContact CD1-CZ 3.75Å; I1728-F1742 HydrophobicContact CG1-CZ 4.16Å; I1728-F1742 HydrophobicContact CG2-CE1 3.68Å; I1728-F1742 HydrophobicContact CG2-CZ 3.79Å; I1728-F1742 PolarHBondContact N-O 2.82Å; I1728-F1742 PolarHBondContact O-N 3.26Å; I1728-F1742 VanDerWaalsContact O-N 3.08Å; I1730-F1742 HydrophobicContact CD1-CE1 4.08Å; I1730-F1742 HydrophobicContact CG1-CE1 4.06Å; H1740-F1742 AromaticContact CD2-CD1 3.69Å; F1742-A1744 HydrophobicContact CD2-CB 4.09Å; F1742-A1744 HydrophobicContact CE2-CB 3.78Å; F1742-A1744 PolarHBondContact O-N 2.97Å; F1742-A1744 VanDerWaalsContact O-N 3.08Å; F1742-F1760 HydrophobicContact CE1-CZ 4.36Å; F1742-F1760 HydrophobicContact CE2-CZ 4.31Å; F1742-F1760 AromaticContact CZ-CE2 3.95Å; F1742-F1760 HydrophobicContact CZ-CE2 3.95Å; F1742-F1760 AromaticContact CZ-CZ 3.58Å; F1742-F1760 HydrophobicContact CZ-CZ 3.58Å; F1742-W1772 HydrophobicContact CD2-CH2 4.42Å; F1742-W1772 HydrophobicContact CD2-CZ3 4.38Å; F1742-W1772 HydrophobicContact CE2-CD2 4.32Å; F1742-W1772 HydrophobicContact CE2-CE3 4.31Å; F1742-W1772 HydrophobicContact CE2-CH2 4.24Å; F1742-W1772 HydrophobicContact CE2-CZ2 4.27Å; F1742-W1772 HydrophobicContact CE2-CZ3 4.25Å; F1742-V1808 HydrophobicContact CD1-CG2 4.09Å; F1742-V1808 HydrophobicContact CD2-CG1 4.16Å; F1742-V1808 HydrophobicContact CE1-CG1 4.22Å; F1742-V1808 HydrophobicContact CE1-CG2 4.15Å; F1742-V1808 HydrophobicContact CE2-CG1 3.84Å; F1742-V1808 HydrophobicContact CG-CG1 4.5Å; F1742-V1808 HydrophobicContact CZ-CG1 3.89Å |
| 1743 | S | 66.8 | Low | 64.4 | Low | 91 Ų | 91 | 35.1 Ų | 35.1 | 64% | 0.636 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 92.4 | 171 | 58.1 | 0 | 0 | 0 | 0 | 108.5 | N1727 | N1727-S1743 WeakPolarHBondContact OD1-CA 3.31Å; N1727-S1743 VanDerWaalsContact OD1-CB 3.31Å; N1727-S1743 WeakPolarHBondContact OD1-CB 3.38Å |
| 1744 | A | 61.6 | Low | 64.6 | Low | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | trans | -63.8 | -53.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G1726 I1728 F1742 I1749 R1770 W1772 | G1726-A1744 PolarHBondContact O-N 3.13Å; I1728-A1744 HydrophobicContact CD1-CB 3.84Å; I1728-A1744 HydrophobicContact CG1-CB 4.03Å; F1742-A1744 HydrophobicContact CD2-CB 4.09Å; F1742-A1744 HydrophobicContact CE2-CB 3.78Å; F1742-A1744 PolarHBondContact O-N 2.97Å; F1742-A1744 VanDerWaalsContact O-N 3.08Å; A1744-I1749 HydrophobicContact CB-CD1 4.04Å; A1744-R1770 PolarHBondContact O-NH1 3.1Å; A1744-W1772 HydrophobicContact CB-CH2 4.14Å; A1744-W1772 HydrophobicContact CB-CZ2 3.67Å | ||
| 1745 | E | 61.3 | Low | 64.9 | Low | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -144.1 | 178.9 | -172.8 | -48.5 | -156.7 | 93.5 | 0 | 0 | 111.3 | G1726 N1764 S1768 R1770 | G1726-E1745 CarbonylContact C-O 3.52Å; G1726-E1745 PolarHBondContact O-N 3.08Å; E1745-N1764 PolarHBondContact OE1-ND2 3.11Å; E1745-N1764 WeakPolarHBondContact OE2-CB 3.15Å; E1745-N1764 VanDerWaalsContact OE2-CG 3.28Å; E1745-N1764 PolarHBondContact OE2-ND2 2.65Å; E1745-S1768 PolarHBondContact OE1-OG 3.03Å; E1745-R1770 IonicContact OE1-CZ 3.98Å; E1745-R1770 IonicContact OE1-NE 3.13Å; E1745-R1770 PolarHBondContact OE1-NE 2.77Å; E1745-R1770 IonicContact OE1-NH2 3.96Å; E1745-R1770 PolarHBondContact OE1-NH2 3.26Å | ||
| 1746 | C | 57.1 | Low | 65 | Low | 133 Ų | 133 | 37.4 Ų | 37.4 | 90% | 0.899 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -107.4 | 22.8 | -177.4 | -56.2 | 0 | 0 | 0 | 0 | 113.3 | F1725 | F1725-C1746 CarbonylContact O-C 3.41Å; F1725-C1746 VanDerWaalsContact O-C 3.23Å |
| 1747 | S | 61.4 | Low | 64.4 | Low | 31 Ų | 31 | 38.4 Ų | 38.4 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -153.5 | 150 | -176.7 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | F1725 G1726 I1749 N1764 | F1725-S1747 PolarHBondContact O-N 2.76Å; F1725-S1747 VanDerWaalsContact O-N 3.13Å; G1726-S1747 WeakPolarHBondContact CA-O 3.04Å; S1747-I1749 PolarHBondContact O-N 2.92Å; S1747-N1764 PolarHBondContact OG-ND2 3.02Å |
| 1748 | E | 66.2 | Low | 64.7 | Low | 75 Ų | 75 | 38.2 Ų | 38.2 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | trans | -44.7 | 131.4 | 177.4 | -176.2 | 172.8 | -153.9 | 0 | 0 | 113.3 | C1695 N1764 V1765 | C1695-E1748 WeakPolarHBondContact CB-OE1 3.35Å; C1695-E1748 PolarHBondContact SG-OE1 3.08Å; E1748-N1764 WeakPolarHBondContact O-CB 3.4Å; E1748-V1765 HydrophobicContact CB-CG2 4.15Å; E1748-V1765 HydrophobicContact CG-CG2 4.35Å; E1748-V1765 WeakPolarHBondContact O-CG2 3.26Å; E1748-V1765 PolarHBondContact O-N 3.41Å | ||
| 1749 | I | 65.7 | Low | 64.6 | Low | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.3 | -176.8 | -66.2 | 160.4 | 0 | 0 | 0 | 108.4 | S1722 G1726 I1728 A1744 S1747 V1751 I1752 G1763 N1764 | S1722-I1749 PolarHBondContact OG-O 2.94Å; G1726-I1749 WeakPolarHBondContact O-CD1 3.4Å; I1728-I1749 HydrophobicContact CD1-CD1 3.87Å; I1728-I1749 HydrophobicContact CG1-CD1 3.51Å; A1744-I1749 HydrophobicContact CB-CD1 4.04Å; S1747-I1749 PolarHBondContact O-N 2.92Å; I1749-V1751 WeakPolarHBondContact CG2-O 3.37Å; I1749-I1752 HydrophobicContact CG2-CD1 4.15Å; I1749-I1752 HydrophobicContact CG2-CG1 3.67Å; I1749-G1763 WeakPolarHBondContact CG2-O 3.34Å; I1749-N1764 HydrophobicContact CG1-CB 4.41Å |
| 1750 | S | 65.8 | Low | 65.1 | Low | 35 Ų | 35 | 37.9 Ų | 37.9 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -30.8 | -177.1 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | G1763 I1822 | S1750-G1763 PolarHBondContact N-O 3.13Å; S1750-G1763 PolarHBondContact OG-O 3.37Å; S1750-I1822 VanDerWaalsContact CB-O 3.29Å; S1750-I1822 WeakPolarHBondContact CB-O 3.5Å; S1750-I1822 PolarHBondContact OG-O 3.38Å |
| 1751 | V | 67.4 | Low | 65.6 | Low | 16 Ų | 16 | 35.1 Ų | 35.1 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.6 | -176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | I1749 T1762 G1763 I1822 L1823 A1825 | I1749-V1751 WeakPolarHBondContact CG2-O 3.37Å; V1751-T1762 WeakPolarHBondContact O-CA 3.16Å; V1751-G1763 PolarHBondContact N-O 3.17Å; V1751-G1763 PolarHBondContact O-N 3.48Å; V1751-I1822 HydrophobicContact CB-CG2 4.1Å; V1751-I1822 HydrophobicContact CG2-CG2 4.03Å; V1751-I1822 WeakPolarHBondContact CG2-O 3.5Å; V1751-L1823 VanDerWaalsContact CG2-O 3.31Å; V1751-L1823 WeakPolarHBondContact CG2-O 3.16Å; V1751-A1825 HydrophobicContact CG1-CB 4.29Å |
| 1752 | I | 71.9 | Confident | 65.9 | Low | 24 Ų | 24 | 30.7 Ų | 30.7 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.2 | 167.6 | -51.9 | 178.1 | 0 | 0 | 0 | 107.4 | L1720 I1728 I1749 F1760 V1761 T1762 | L1720-I1752 HydrophobicContact CB-CD1 4.01Å; L1720-I1752 HydrophobicContact CB-CG2 4.02Å; L1720-I1752 HydrophobicContact CD1-CG2 3.45Å; L1720-I1752 VanDerWaalsContact CD1-CG2 3.45Å; L1720-I1752 HydrophobicContact CG-CG2 4.35Å; I1728-I1752 HydrophobicContact CD1-CD1 4.01Å; I1728-I1752 HydrophobicContact CG1-CD1 4.17Å; I1728-I1752 HydrophobicContact CG2-CD1 4.37Å; I1749-I1752 HydrophobicContact CG2-CD1 4.15Å; I1749-I1752 HydrophobicContact CG2-CG1 3.67Å; I1752-F1760 HydrophobicContact CG2-CD2 4.08Å; I1752-V1761 WeakPolarHBondContact CA-O 3.47Å; I1752-T1762 HydrophobicContact CG2-CG2 4.45Å |
| 1753 | S | 72.8 | Confident | 66.4 | Low | 26 Ų | 26 | 29.6 Ų | 29.6 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.8 | -177 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | F1760 V1761 A1825 | S1753-F1760 CarbonylContact O-C 3.49Å; S1753-F1760 WeakPolarHBondContact O-CA 3.47Å; S1753-F1760 WeakPolarHBondContact O-CB 3.25Å; S1753-V1761 PolarHBondContact N-O 3.43Å; S1753-V1761 PolarHBondContact O-N 3.41Å; S1753-A1825 VanDerWaalsContact CB-O 3.31Å; S1753-A1825 WeakPolarHBondContact CB-O 3.05Å; S1753-A1825 PolarHBondContact OG-O 2.63Å |
| 1754 | S | 67.1 | Low | 66.7 | Low | 61 Ų | 61 | 25.3 Ų | 25.3 | 43% | 0.427 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.2 | 177.8 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1755 | S | 64.6 | Low | 66.9 | Low | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | trans | -142.2 | 108.3 | -179 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | G1759 F1760 F1771 | S1755-G1759 PolarHBondContact N-O 3.42Å; S1755-G1759 CarbonylContact O-C 2.6Å; S1755-G1759 VanDerWaalsContact O-C 3.31Å; S1755-G1759 WeakPolarHBondContact O-CA 3.15Å; S1755-G1759 PolarHBondContact O-N 2.91Å; S1755-G1759 VanDerWaalsContact OG-C 3.25Å; S1755-F1760 WeakPolarHBondContact OG-CA 2.94Å; S1755-F1760 PolarHBondContact OG-N 2.64Å; S1755-F1771 WeakPolarHBondContact OG-CE2 3Å | ||
| 1756 | G | 57.9 | Low | 67.1 | Low | 22 Ų | 22 | 30.3 Ų | 30.3 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 63.6 | -177.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1758 | G1756-C1758 VanDerWaalsContact C-N 3.33Å; G1756-C1758 PolarHBondContact O-N 2.69Å |
| 1757 | P | 53.7 | Low | 67.7 | Low | 31 Ų | 31 | 24 Ų | 24 | 20% | 0.201 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -18.3 | -169.8 | 28.3 | -36.7 | 0 | 0 | 0 | 115.2 | K1705 | K1705-P1757 HydrophobicContact CD-CG 4.17Š|
| 1758 | C | 62 | Low | 68.3 | Low | 53 Ų | 53 | 23 Ų | 23 | 36% | 0.358 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 16.5 | -176.5 | -50 | 0 | 0 | 0 | 0 | 112.9 | G1756 L1774 | G1756-C1758 VanDerWaalsContact C-N 3.33Å; G1756-C1758 PolarHBondContact O-N 2.69Å; C1758-L1774 PolarHBondContact O-N 2.96Å |
| 1759 | G | 66.4 | Low | 68.8 | Low | 5 Ų | 5 | 19.6 Ų | 19.6 | 5% | 0.052 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 158.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1755 W1772 | S1755-G1759 PolarHBondContact N-O 3.42Å; S1755-G1759 CarbonylContact O-C 2.6Å; S1755-G1759 VanDerWaalsContact O-C 3.31Å; S1755-G1759 WeakPolarHBondContact O-CA 3.15Å; S1755-G1759 PolarHBondContact O-N 2.91Å; S1755-G1759 VanDerWaalsContact OG-C 3.25Å; G1759-W1772 CarbonylContact C-O 3.56Å; G1759-W1772 VanDerWaalsContact CA-O 3.26Å; G1759-W1772 WeakPolarHBondContact CA-O 2.94Å |
| 1760 | F | 75.1 | Confident | 69.3 | Low | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.3 | 168.2 | 67.6 | -79.2 | 0 | 0 | 0 | 110.3 | L1700 L1720 I1728 F1742 I1752 S1753 S1755 T1762 W1772 L1774 V1808 | L1700-F1760 HydrophobicContact CD1-CB 4.09Å; L1720-F1760 HydrophobicContact CD1-CD2 4.3Å; L1720-F1760 HydrophobicContact CD1-CG 4.39Å; I1728-F1760 HydrophobicContact CD1-CE2 4.28Å; F1742-F1760 HydrophobicContact CE1-CZ 4.36Å; F1742-F1760 HydrophobicContact CE2-CZ 4.31Å; F1742-F1760 AromaticContact CZ-CE2 3.95Å; F1742-F1760 HydrophobicContact CZ-CE2 3.95Å; F1742-F1760 AromaticContact CZ-CZ 3.58Å; F1742-F1760 HydrophobicContact CZ-CZ 3.58Å; I1752-F1760 HydrophobicContact CG2-CD2 4.08Å; S1753-F1760 CarbonylContact O-C 3.49Å; S1753-F1760 WeakPolarHBondContact O-CA 3.47Å; S1753-F1760 WeakPolarHBondContact O-CB 3.25Å; S1755-F1760 WeakPolarHBondContact OG-CA 2.94Å; S1755-F1760 PolarHBondContact OG-N 2.64Å; F1760-T1762 HydrophobicContact CD2-CG2 3.82Å; F1760-T1762 HydrophobicContact CE2-CG2 3.64Å; F1760-W1772 HydrophobicContact CD1-CB 3.95Å; F1760-W1772 HydrophobicContact CD2-CB 4.3Å; F1760-W1772 AromaticContact CD2-CD1 3.95Å; F1760-W1772 HydrophobicContact CD2-CG 4.4Å; F1760-W1772 HydrophobicContact CE1-CB 3.44Å; F1760-W1772 VanDerWaalsContact CE1-CB 3.44Å; F1760-W1772 HydrophobicContact CE1-CG 4.2Å; F1760-W1772 HydrophobicContact CE2-CB 3.85Å; F1760-W1772 AromaticContact CE2-CD1 3.5Å; F1760-W1772 VanDerWaalsContact CE2-CD1 3.5Å; F1760-W1772 AromaticContact CE2-CG 3.75Å; F1760-W1772 HydrophobicContact CE2-CG 3.75Å; F1760-W1772 HydrophobicContact CG-CB 4.34Å; F1760-W1772 HydrophobicContact CZ-CB 3.38Å; F1760-W1772 AromaticContact CZ-CD1 3.89Å; F1760-W1772 HydrophobicContact CZ-CD2 4.38Å; F1760-W1772 AromaticContact CZ-CG 3.62Å; F1760-W1772 HydrophobicContact CZ-CG 3.62Å; F1760-W1772 PolarHBondContact N-O 2.86Å; F1760-W1772 PolarHBondContact O-N 2.93Å; F1760-L1774 HydrophobicContact CD1-CD1 3.86Å; F1760-L1774 HydrophobicContact CD1-CD2 4.18Å; F1760-L1774 HydrophobicContact CD1-CG 3.74Å; F1760-L1774 HydrophobicContact CE1-CD1 4.14Å; F1760-L1774 HydrophobicContact CE1-CD2 3.6Å; F1760-L1774 HydrophobicContact CE1-CG 3.63Å; F1760-V1808 HydrophobicContact CE1-CG1 4.16Å; F1760-V1808 HydrophobicContact CZ-CG1 3.89Å |
| 1761 | V | 75.5 | Confident | 69.9 | Low | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.9 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | I1752 S1753 L1769 R1770 F1771 F1827 W1848 | I1752-V1761 WeakPolarHBondContact CA-O 3.47Å; S1753-V1761 PolarHBondContact N-O 3.43Å; S1753-V1761 PolarHBondContact O-N 3.41Å; V1761-L1769 HydrophobicContact CG1-CD2 3.73Å; V1761-R1770 VanDerWaalsContact CA-O 3.28Å; V1761-R1770 WeakPolarHBondContact CA-O 3.45Å; V1761-F1771 HydrophobicContact CG2-CB 4.18Å; V1761-F1771 HydrophobicContact CG2-CD2 3.96Å; V1761-F1827 HydrophobicContact CB-CE2 3.63Å; V1761-F1827 HydrophobicContact CB-CZ 3.78Å; V1761-F1827 HydrophobicContact CG1-CE2 4.11Å; V1761-F1827 HydrophobicContact CG1-CZ 3.83Å; V1761-F1827 HydrophobicContact CG2-CD2 4.2Å; V1761-F1827 HydrophobicContact CG2-CE1 4Å; V1761-F1827 HydrophobicContact CG2-CE2 3.62Å; V1761-F1827 HydrophobicContact CG2-CZ 3.54Å; V1761-W1848 HydrophobicContact CG1-CZ2 4.35Å; V1761-W1848 HydrophobicContact CG2-CZ2 3.93Å |
| 1762 | T | 76 | Confident | 70.2 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.8 | 177.8 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | I1728 V1751 I1752 F1760 L1769 R1770 W1772 | I1728-T1762 HydrophobicContact CD1-CG2 3.34Å; V1751-T1762 WeakPolarHBondContact O-CA 3.16Å; I1752-T1762 HydrophobicContact CG2-CG2 4.45Å; F1760-T1762 HydrophobicContact CD2-CG2 3.82Å; F1760-T1762 HydrophobicContact CE2-CG2 3.64Å; T1762-L1769 WeakPolarHBondContact O-CA 3.44Å; T1762-R1770 PolarHBondContact N-O 3.21Å; T1762-R1770 PolarHBondContact O-N 3.46Å; T1762-R1770 VanDerWaalsContact O-N 3.14Å; T1762-W1772 VanDerWaalsContact CG2-NE1 3.32Å; T1762-W1772 PolarHBondContact OG1-NE1 3.26Å |
| 1763 | G | 77.5 | Confident | 70.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1749 S1750 V1751 | I1749-G1763 WeakPolarHBondContact CG2-O 3.34Å; S1750-G1763 PolarHBondContact N-O 3.13Å; S1750-G1763 PolarHBondContact OG-O 3.37Å; V1751-G1763 PolarHBondContact N-O 3.17Å; V1751-G1763 PolarHBondContact O-N 3.48Å |
| 1764 | N | 72.6 | Confident | 70 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 177.5 | -172.7 | 75.4 | 22.2 | 0 | 0 | 0 | 114.5 | E1745 S1747 E1748 I1749 S1766 G1767 S1768 | E1745-N1764 PolarHBondContact OE1-ND2 3.11Å; E1745-N1764 WeakPolarHBondContact OE2-CB 3.15Å; E1745-N1764 VanDerWaalsContact OE2-CG 3.28Å; E1745-N1764 PolarHBondContact OE2-ND2 2.65Å; S1747-N1764 PolarHBondContact OG-ND2 3.02Å; E1748-N1764 WeakPolarHBondContact O-CB 3.4Å; I1749-N1764 HydrophobicContact CG1-CB 4.41Å; N1764-S1766 PolarHBondContact ND2-OG 3.42Å; N1764-S1766 PolarHBondContact O-N 2.93Å; N1764-S1766 VanDerWaalsContact OD1-CA 3.31Å; N1764-S1766 WeakPolarHBondContact OD1-CA 3.43Å; N1764-S1766 WeakPolarHBondContact OD1-CB 3.39Å; N1764-S1766 PolarHBondContact OD1-N 3.45Å; N1764-S1766 PolarHBondContact OD1-OG 2.91Å; N1764-G1767 PolarHBondContact O-N 3Å; N1764-G1767 PolarHBondContact OD1-N 2.96Å; N1764-S1768 PolarHBondContact N-O 3.22Å; N1764-S1768 PolarHBondContact ND2-OG 3.01Å; N1764-S1768 PolarHBondContact OD1-N 2.99Å |
| 1765 | V | 66 | Low | 69.7 | Low | 65 Ų | 65 | 25.5 Ų | 25.5 | 39% | 0.394 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.4 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 113.9 | E1748 V1821 | E1748-V1765 HydrophobicContact CB-CG2 4.15Å; E1748-V1765 HydrophobicContact CG-CG2 4.35Å; E1748-V1765 WeakPolarHBondContact O-CG2 3.26Å; E1748-V1765 PolarHBondContact O-N 3.41Å; V1765-V1821 HydrophobicContact CB-CG2 4.39Å; V1765-V1821 HydrophobicContact CG1-CG2 4.06Å; V1765-V1821 HydrophobicContact CG2-CG1 4.14Å |
| 1766 | S | 65.4 | Low | 69.3 | Low | 54 Ų | 54 | 26.5 Ų | 26.5 | 38% | 0.378 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -18.5 | 176.1 | 74.4 | 0 | 0 | 0 | 0 | 114.8 | N1764 N1819 | N1764-S1766 PolarHBondContact ND2-OG 3.42Å; N1764-S1766 PolarHBondContact O-N 2.93Å; N1764-S1766 VanDerWaalsContact OD1-CA 3.31Å; N1764-S1766 WeakPolarHBondContact OD1-CA 3.43Å; N1764-S1766 WeakPolarHBondContact OD1-CB 3.39Å; N1764-S1766 PolarHBondContact OD1-N 3.45Å; N1764-S1766 PolarHBondContact OD1-OG 2.91Å; S1766-N1819 PolarHBondContact O-N 2.69Å; S1766-N1819 VanDerWaalsContact O-N 3.15Å |
| 1767 | G | 69.8 | Low | 68.9 | Low | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | 96.7 | 19.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1764 F1817 E1820 | N1764-G1767 PolarHBondContact O-N 3Å; N1764-G1767 PolarHBondContact OD1-N 2.96Å; G1767-F1817 WeakPolarHBondContact CA-O 3.07Å; G1767-F1817 WeakPolarHBondContact O-CB 3.37Å; G1767-F1817 PolarHBondContact O-N 3.47Å; G1767-E1820 WeakPolarHBondContact CA-O 3.47Å; G1767-E1820 PolarHBondContact N-O 3.49Å | ||
| 1768 | S | 74.4 | Confident | 68.7 | Low | 11 Ų | 11 | 30 Ų | 30 | 8% | 0.077 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 146.6 | 166.8 | 51.6 | 0 | 0 | 0 | 0 | 112 | E1745 N1764 N1815 I1822 | E1745-S1768 PolarHBondContact OE1-OG 3.03Å; N1764-S1768 PolarHBondContact N-O 3.22Å; N1764-S1768 PolarHBondContact ND2-OG 3.01Å; N1764-S1768 PolarHBondContact OD1-N 2.99Å; S1768-N1815 VanDerWaalsContact CB-OD1 3.28Å; S1768-N1815 WeakPolarHBondContact CB-OD1 3.22Å; S1768-I1822 WeakPolarHBondContact O-CD1 3.47Å |
| 1769 | L | 77.3 | Confident | 67.6 | Low | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135 | 179.6 | -85.6 | 156.1 | 0 | 0 | 0 | 110 | V1761 T1762 S1813 I1814 F1817 I1822 I1836 | V1761-L1769 HydrophobicContact CG1-CD2 3.73Å; T1762-L1769 WeakPolarHBondContact O-CA 3.44Å; L1769-S1813 CarbonylContact O-C 3.59Å; L1769-S1813 WeakPolarHBondContact O-CA 3.46Å; L1769-I1814 HydrophobicContact CB-CB 4.26Å; L1769-I1814 PolarHBondContact N-O 3.02Å; L1769-I1814 PolarHBondContact O-N 3.28Å; L1769-F1817 HydrophobicContact CD1-CD2 3.87Å; L1769-F1817 HydrophobicContact CD1-CE2 3.61Å; L1769-I1822 HydrophobicContact CD1-CD1 4.12Å; L1769-I1822 HydrophobicContact CD1-CG1 4.23Å; L1769-I1822 HydrophobicContact CD2-CD1 4.16Å; L1769-I1822 HydrophobicContact CD2-CG1 4.39Å; L1769-I1822 HydrophobicContact CD2-CG2 4.44Å; L1769-I1822 HydrophobicContact CG-CD1 3.72Å; L1769-I1822 HydrophobicContact CG-CG1 4.22Å; L1769-I1836 HydrophobicContact CD1-CD1 3.53Å; L1769-I1836 HydrophobicContact CD1-CG2 4.27Å; L1769-I1836 HydrophobicContact CD2-CD1 3.71Å; L1769-I1836 HydrophobicContact CG-CD1 4.22Å |
| 1770 | R | 75.2 | Confident | 66.3 | Low | 50 Ų | 50 | 28.6 Ų | 28.6 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.7 | -178 | -61.1 | -179.2 | -170.1 | -165.1 | 22.5 | 110.9 | A1744 E1745 V1761 T1762 W1772 | A1744-R1770 PolarHBondContact O-NH1 3.1Å; E1745-R1770 IonicContact OE1-CZ 3.98Å; E1745-R1770 IonicContact OE1-NE 3.13Å; E1745-R1770 PolarHBondContact OE1-NE 2.77Å; E1745-R1770 IonicContact OE1-NH2 3.96Å; E1745-R1770 PolarHBondContact OE1-NH2 3.26Å; V1761-R1770 VanDerWaalsContact CA-O 3.28Å; V1761-R1770 WeakPolarHBondContact CA-O 3.45Å; T1762-R1770 PolarHBondContact N-O 3.21Å; T1762-R1770 PolarHBondContact O-N 3.46Å; T1762-R1770 VanDerWaalsContact O-N 3.14Å; R1770-W1772 HydrophobicContact CB-CZ2 4.05Å; R1770-W1772 VanDerWaalsContact CD-CZ2 3.5Å; R1770-W1772 HydrophobicContact CG-CZ2 4.44Å; R1770-W1772 VanDerWaalsContact O-CD1 3.29Å |
| 1771 | F | 79.8 | Confident | 64.4 | Low | 24 Ų | 24 | 31.8 Ų | 31.8 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.5 | 170.9 | 171.5 | -123.7 | 0 | 0 | 0 | 109.3 | S1755 V1761 I1811 K1812 W1848 | S1755-F1771 WeakPolarHBondContact OG-CE2 3Å; V1761-F1771 HydrophobicContact CG2-CB 4.18Å; V1761-F1771 HydrophobicContact CG2-CD2 3.96Å; F1771-I1811 HydrophobicContact CD1-CB 4Å; F1771-I1811 HydrophobicContact CE1-CB 4.22Å; F1771-I1811 HydrophobicContact CE1-CD1 4.08Å; F1771-I1811 PolarHBondContact O-N 2.83Å; F1771-K1812 HydrophobicContact CB-CB 4.43Å; F1771-K1812 HydrophobicContact CD1-CG 4.38Å; F1771-K1812 PolarHBondContact N-O 2.69Å; F1771-W1848 HydrophobicContact CB-CD2 4.2Å; F1771-W1848 HydrophobicContact CB-CE3 4.22Å; F1771-W1848 HydrophobicContact CB-CH2 3.75Å; F1771-W1848 HydrophobicContact CB-CZ2 3.71Å; F1771-W1848 HydrophobicContact CB-CZ3 4Å |
| 1772 | W | 74.1 | Confident | 62.4 | Low | 15 Ų | 15 | 36.8 Ų | 36.8 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.6 | 179.9 | -51.5 | 90 | 0 | 0 | 0 | 109.2 | F1742 A1744 G1759 F1760 T1762 R1770 V1808 K1809 Q1810 | F1742-W1772 HydrophobicContact CD2-CH2 4.42Å; F1742-W1772 HydrophobicContact CD2-CZ3 4.38Å; F1742-W1772 HydrophobicContact CE2-CD2 4.32Å; F1742-W1772 HydrophobicContact CE2-CE3 4.31Å; F1742-W1772 HydrophobicContact CE2-CH2 4.24Å; F1742-W1772 HydrophobicContact CE2-CZ2 4.27Å; F1742-W1772 HydrophobicContact CE2-CZ3 4.25Å; A1744-W1772 HydrophobicContact CB-CH2 4.14Å; A1744-W1772 HydrophobicContact CB-CZ2 3.67Å; G1759-W1772 CarbonylContact C-O 3.56Å; G1759-W1772 VanDerWaalsContact CA-O 3.26Å; G1759-W1772 WeakPolarHBondContact CA-O 2.94Å; F1760-W1772 HydrophobicContact CD1-CB 3.95Å; F1760-W1772 HydrophobicContact CD2-CB 4.3Å; F1760-W1772 AromaticContact CD2-CD1 3.95Å; F1760-W1772 HydrophobicContact CD2-CG 4.4Å; F1760-W1772 HydrophobicContact CE1-CB 3.44Å; F1760-W1772 VanDerWaalsContact CE1-CB 3.44Å; F1760-W1772 HydrophobicContact CE1-CG 4.2Å; F1760-W1772 HydrophobicContact CE2-CB 3.85Å; F1760-W1772 AromaticContact CE2-CD1 3.5Å; F1760-W1772 VanDerWaalsContact CE2-CD1 3.5Å; F1760-W1772 AromaticContact CE2-CG 3.75Å; F1760-W1772 HydrophobicContact CE2-CG 3.75Å; F1760-W1772 HydrophobicContact CG-CB 4.34Å; F1760-W1772 HydrophobicContact CZ-CB 3.38Å; F1760-W1772 AromaticContact CZ-CD1 3.89Å; F1760-W1772 HydrophobicContact CZ-CD2 4.38Å; F1760-W1772 AromaticContact CZ-CG 3.62Å; F1760-W1772 HydrophobicContact CZ-CG 3.62Å; F1760-W1772 PolarHBondContact N-O 2.86Å; F1760-W1772 PolarHBondContact O-N 2.93Å; T1762-W1772 VanDerWaalsContact CG2-NE1 3.32Å; T1762-W1772 PolarHBondContact OG1-NE1 3.26Å; R1770-W1772 HydrophobicContact CB-CZ2 4.05Å; R1770-W1772 VanDerWaalsContact CD-CZ2 3.5Å; R1770-W1772 HydrophobicContact CG-CZ2 4.44Å; R1770-W1772 VanDerWaalsContact O-CD1 3.29Å; W1772-V1808 HydrophobicContact CB-CG1 4.2Å; W1772-V1808 HydrophobicContact CD2-CG1 4.24Å; W1772-V1808 HydrophobicContact CE3-CG1 3.72Å; W1772-V1808 HydrophobicContact CG-CG1 4.48Å; W1772-V1808 HydrophobicContact CZ3-CG1 4.42Å; W1772-K1809 CarbonylContact C-O 3.48Å; W1772-K1809 WeakPolarHBondContact CA-O 3.34Å; W1772-Q1810 HydrophobicContact CD2-CB 4.46Å; W1772-Q1810 HydrophobicContact CE3-CB 3.68Å; W1772-Q1810 HydrophobicContact CE3-CG 4.24Å; W1772-Q1810 HydrophobicContact CH2-CB 4.36Å; W1772-Q1810 HydrophobicContact CH2-CG 4.48Å; W1772-Q1810 HydrophobicContact CZ3-CB 3.65Å; W1772-Q1810 HydrophobicContact CZ3-CG 4.2Å |
| 1773 | R | 73.5 | Confident | 60.3 | Low | 119 Ų | 119 | 42.2 Ų | 42.2 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.8 | 169.3 | -170 | 174.7 | -175.5 | 148.2 | -3.6 | 109.3 | E1775 K1809 I1811 | R1773-E1775 HydrophobicContact CG-CG 4.26Å; R1773-E1775 IonicContact NE-OE1 3.5Å; R1773-E1775 PolarHBondContact O-N 3.02Å; R1773-K1809 PolarHBondContact N-O 3.19Å; R1773-K1809 PolarHBondContact O-N 2.79Å; R1773-I1811 HydrophobicContact CB-CD1 3.51Å; R1773-I1811 HydrophobicContact CB-CG1 4.06Å; R1773-I1811 HydrophobicContact CG-CD1 4.2Å |
| 1774 | L | 65.7 | Low | 58.2 | Low | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 94.9 | 168.4 | -63.6 | 164.8 | 0 | 0 | 0 | 107 | L1700 I1730 C1758 F1760 I1776 I1806 V1808 | L1700-L1774 HydrophobicContact CD2-CD1 3.5Å; L1700-L1774 VanDerWaalsContact CD2-CD1 3.5Å; I1730-L1774 HydrophobicContact CD1-CD2 3.94Å; C1758-L1774 PolarHBondContact O-N 2.96Å; F1760-L1774 HydrophobicContact CD1-CD1 3.86Å; F1760-L1774 HydrophobicContact CD1-CD2 4.18Å; F1760-L1774 HydrophobicContact CD1-CG 3.74Å; F1760-L1774 HydrophobicContact CE1-CD1 4.14Å; F1760-L1774 HydrophobicContact CE1-CD2 3.6Å; F1760-L1774 HydrophobicContact CE1-CG 3.63Å; L1774-I1776 HydrophobicContact CB-CD1 4.22Å; L1774-I1776 HydrophobicContact CB-CG1 3.78Å; L1774-I1776 PolarHBondContact O-N 2.94Å; L1774-I1806 HydrophobicContact CD2-CG2 3.4Å; L1774-V1808 HydrophobicContact CD2-CG2 4.14Å |
| 1775 | E | 61.3 | Low | 56.1 | Low | 75 Ų | 75 | 55.8 Ų | 55.8 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 83.9 | 162.3 | -73.9 | 179.6 | -170.4 | 0 | 0 | 106.9 | R1773 E1777 E1807 K1809 | R1773-E1775 HydrophobicContact CG-CG 4.26Å; R1773-E1775 IonicContact NE-OE1 3.5Å; R1773-E1775 PolarHBondContact O-N 3.02Å; E1775-E1777 PolarHBondContact O-N 3.12Å; E1775-E1777 VanDerWaalsContact O-N 3.11Å; E1775-E1807 HydrophobicContact CB-CB 4.19Å; E1775-E1807 PolarHBondContact N-O 3.12Å; E1775-E1807 PolarHBondContact O-N 2.89Å; E1775-K1809 WeakPolarHBondContact OE2-CD 3.33Å; E1775-K1809 IonicContact OE2-NZ 3.57Å; E1775-K1809 PolarHBondContact OE2-NZ 3.41Å |
| 1776 | I | 56.8 | Low | 54.3 | Low | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 99.2 | 177.5 | -49.6 | 179 | 0 | 0 | 0 | 106.7 | I1702 L1774 Y1778 I1803 | I1702-I1776 HydrophobicContact CD1-CD1 3.55Å; L1774-I1776 HydrophobicContact CB-CD1 4.22Å; L1774-I1776 HydrophobicContact CB-CG1 3.78Å; L1774-I1776 PolarHBondContact O-N 2.94Å; I1776-Y1778 HydrophobicContact CB-CE2 4.22Å; I1776-Y1778 HydrophobicContact CG2-CD1 4.25Å; I1776-Y1778 HydrophobicContact CG2-CE1 3.58Å; I1776-Y1778 HydrophobicContact CG2-CE2 4.1Å; I1776-Y1778 VanDerWaalsContact CG2-CZ 3.5Å; I1776-Y1778 PolarHBondContact O-N 3.21Å; I1776-I1803 HydrophobicContact CG2-CG1 4.32Å; I1776-I1803 HydrophobicContact CG2-CG2 3.86Å |
| 1777 | E | 49.3 | Very low | 52.6 | Low | 70 Ų | 70 | 63.3 Ų | 63.3 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 108.3 | 172.1 | -68.6 | -161.4 | 120.1 | 0 | 0 | 108.4 | E1775 K1804 N1805 | E1775-E1777 PolarHBondContact O-N 3.12Å; E1775-E1777 VanDerWaalsContact O-N 3.11Å; E1777-K1804 HydrophobicContact CB-CB 3.97Å; E1777-K1804 HydrophobicContact CB-CD 4.16Å; E1777-K1804 WeakPolarHBondContact O-CB 3.46Å; E1777-K1804 PolarHBondContact O-N 2.97Å; E1777-K1804 VanDerWaalsContact O-N 3.11Å; E1777-K1804 WeakPolarHBondContact OE2-CD 3.21Å; E1777-K1804 IonicContact OE2-NZ 2.65Å; E1777-N1805 HydrophobicContact CB-CB 4.06Å; E1777-N1805 HydrophobicContact CG-CB 4.22Å; E1777-N1805 PolarHBondContact N-O 3.15Å; E1777-N1805 WeakPolarHBondContact OE2-CB 3.16Å; E1777-N1805 PolarHBondContact OE2-ND2 3.14Å |
| 1778 | Y | 48.1 | Very low | 50.7 | Low | 57 Ų | 57 | 70.9 Ų | 70.9 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | trans | -86.7 | 103.6 | 154.9 | -57.3 | -58.2 | 0 | 0 | 0 | 106.1 | I1776 N1780 I1803 H2194 | I1776-Y1778 HydrophobicContact CB-CE2 4.22Å; I1776-Y1778 HydrophobicContact CG2-CD1 4.25Å; I1776-Y1778 HydrophobicContact CG2-CE1 3.58Å; I1776-Y1778 HydrophobicContact CG2-CE2 4.1Å; I1776-Y1778 VanDerWaalsContact CG2-CZ 3.5Å; I1776-Y1778 PolarHBondContact O-N 3.21Å; Y1778-N1780 VanDerWaalsContact O-CG 3.23Å; Y1778-N1780 PolarHBondContact O-ND2 2.89Å; Y1778-N1780 PolarHBondContact O-OD1 3.4Å; Y1778-I1803 HydrophobicContact CE1-CG1 4.11Å; Y1778-H2194 AromaticContact CE1-CD2 3.47Å; Y1778-H2194 VanDerWaalsContact CE1-CD2 3.47Å; Y1778-H2194 WeakPolarHBondContact CE1-CD2 3.45Å; Y1778-H2194 AromaticContact CE1-NE2 3.73Å; Y1778-H2194 AromaticContact CZ-CD2 3.84Å; Y1778-H2194 AromaticContact CZ-NE2 3.95Å; Y1778-H2194 PolarHBondContact OH-CD2 3.42Å; Y1778-H2194 PolarHBondContact OH-NE2 2.95Å | ||
| 1779 | S | 40.4 | Very low | 48.4 | Very low | 4 Ų | 4 | 76.7 Ų | 76.7 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | trans | -58.4 | 164.5 | 178.7 | 78.1 | 0 | 0 | 0 | 0 | 114 | K1804 T2230 N2231 E2235 I2236 T2237 | S1779-K1804 VanDerWaalsContact CB-CD 3.49Å; S1779-T2230 VanDerWaalsContact O-CG2 3.28Å; S1779-T2230 WeakPolarHBondContact O-CG2 3.44Å; S1779-T2230 WeakPolarHBondContact OG-CA 3.3Å; S1779-T2230 WeakPolarHBondContact OG-CB 3.47Å; S1779-N2231 PolarHBondContact OG-N 3.41Å; S1779-N2231 VanDerWaalsContact OG-N 3.14Å; S1779-N2231 PolarHBondContact OG-O 3.25Å; S1779-E2235 VanDerWaalsContact CB-C 3.47Å; S1779-I2236 PolarHBondContact OG-N 2.94Å; S1779-I2236 PolarHBondContact OG-O 3.33Å; S1779-T2237 WeakPolarHBondContact O-CA 3.3Å; S1779-T2237 WeakPolarHBondContact O-CB 3.49Å; S1779-T2237 WeakPolarHBondContact O-CG2 3.17Å; S1779-T2237 PolarHBondContact O-N 3.11Å; S1779-T2237 PolarHBondContact O-OG1 3.29Å | ||
| 1780 | N | 38 | Very low | 46 | Very low | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | trans | -144.2 | 102.9 | -152.2 | -76.9 | -37.7 | 0 | 0 | 0 | 116.1 | Y1778 E2235 T2237 G2264 K2265 V2266 | Y1778-N1780 VanDerWaalsContact O-CG 3.23Å; Y1778-N1780 PolarHBondContact O-ND2 2.89Å; Y1778-N1780 PolarHBondContact O-OD1 3.4Å; N1780-E2235 CarbonylContact C-O 2.77Å; N1780-E2235 WeakPolarHBondContact CA-O 3.49Å; N1780-E2235 PolarHBondContact N-O 2.85Å; N1780-T2237 VanDerWaalsContact CA-OG1 3.26Å; N1780-T2237 WeakPolarHBondContact CA-OG1 3.3Å; N1780-T2237 VanDerWaalsContact N-N 3.1Å; N1780-T2237 PolarHBondContact OD1-OG1 2.83Å; N1780-T2237 VanDerWaalsContact OD1-OG1 3.1Å; N1780-G2264 CarbonylContact C-O 3.51Å; N1780-K2265 HydrophobicContact CB-CB 4.29Å; N1780-K2265 HydrophobicContact CB-CG 3.79Å; N1780-K2265 WeakPolarHBondContact O-CA 3.31Å; N1780-K2265 WeakPolarHBondContact O-CB 3.4Å; N1780-K2265 WeakPolarHBondContact O-CD 3.34Å; N1780-K2265 WeakPolarHBondContact O-CG 3.27Å; N1780-V2266 VanDerWaalsContact CG-C 3.41Å; N1780-V2266 PolarHBondContact ND2-O 3.38Å; N1780-V2266 PolarHBondContact OD1-O 3.44Å | ||
| 1781 | Y | 35.2 | Very low | 43.8 | Very low | 67 Ų | 67 | 89.2 Ų | 89.2 | 26% | 0.263 | 44% | 0.436 | S | S | . | . | trans | -95.2 | 101.9 | -162 | -170.5 | -6.1 | 0 | 0 | 0 | 116.8 | Q1783 I2236 T2237 P2263 G2264 K2265 | Y1781-Q1783 PolarHBondContact O-N 3.43Å; Y1781-I2236 HydrophobicContact CD1-CB 4.41Å; Y1781-I2236 HydrophobicContact CD1-CD1 3.7Å; Y1781-I2236 HydrophobicContact CD1-CG1 3.79Å; Y1781-I2236 HydrophobicContact CD1-CG2 4.06Å; Y1781-I2236 HydrophobicContact CD2-CB 4.31Å; Y1781-I2236 HydrophobicContact CD2-CG2 3.28Å; Y1781-I2236 HydrophobicContact CE1-CD1 3.98Å; Y1781-I2236 HydrophobicContact CE2-CG2 3.86Å; Y1781-I2236 HydrophobicContact CG-CB 3.92Å; Y1781-I2236 HydrophobicContact CG-CD1 4.11Å; Y1781-I2236 HydrophobicContact CG-CG1 3.8Å; Y1781-I2236 HydrophobicContact CG-CG2 3.38Å; Y1781-T2237 WeakPolarHBondContact CB-O 3.48Å; Y1781-T2237 VanDerWaalsContact N-N 3.17Å; Y1781-P2263 HydrophobicContact CD1-CB 3.87Å; Y1781-P2263 HydrophobicContact CD2-CB 3.32Å; Y1781-P2263 HydrophobicContact CE1-CB 4.19Å; Y1781-P2263 HydrophobicContact CE2-CB 3.71Å; Y1781-P2263 HydrophobicContact CG-CB 3.42Å; Y1781-P2263 VanDerWaalsContact CG-CB 3.42Å; Y1781-P2263 CarbonylContact O-C 3.51Å; Y1781-G2264 VanDerWaalsContact N-C 3.35Å; Y1781-G2264 PolarHBondContact N-O 2.72Å; Y1781-G2264 CarbonylContact O-C 3.15Å; Y1781-G2264 WeakPolarHBondContact O-CA 3.44Å; Y1781-G2264 PolarHBondContact O-N 3.37Å; Y1781-K2265 PolarHBondContact O-N 3.45Å | ||
| 1782 | E | 33.9 | Very low | 41.2 | Very low | 106 Ų | 106 | 92.7 Ų | 92.7 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | trans | -65.1 | 137.1 | -171.9 | -161.5 | 57 | -74.7 | 0 | 0 | 114.7 | H1784 K2265 | E1782-H1784 PolarHBondContact O-N 3Å; E1782-K2265 HydrophobicContact CB-CB 3.7Å; E1782-K2265 HydrophobicContact CG-CB 4.27Å; E1782-K2265 PolarHBondContact OE1-N 3.37Å | ||
| 1783 | Q | 32 | Very low | 39 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | trans | -62.1 | 103.8 | 178.1 | -69.7 | -179.7 | 1.6 | 0 | 0 | 111.9 | Y1781 P2263 | Y1781-Q1783 PolarHBondContact O-N 3.43Å; Q1783-P2263 WeakPolarHBondContact CG-O 3.19Å; Q1783-P2263 PolarHBondContact NE2-O 2.73Å | ||
| 1784 | H | 32.9 | Very low | 36.7 | Very low | 186 Ų | 186 | 98.2 Ų | 98.2 | 86% | 0.861 | 50% | 0.497 | S | S | * | . | trans | -118.7 | 80.1 | 160.5 | -79.4 | -16 | 0 | 0 | 0 | 110.9 | E1782 | E1782-H1784 PolarHBondContact O-N 3Š| ||
| 1785 | S | 28.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 52% | 0.524 | S | S | * | . | trans | -96.2 | 119.4 | 169.4 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1786 | N | 29.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 101.9 Ų | 101.9 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | trans | -160.3 | 132 | 157 | -107.6 | -42.3 | 0 | 0 | 0 | 112.2 | ||||
| 1787 | N | 29.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 67% | 0.674 | 53% | 0.528 | S | S | * | . | trans | 70.3 | 109.5 | 163.4 | -63.8 | -42.4 | 0 | 0 | 0 | 121.8 | ||||
| 1788 | Q | 28.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 100.6 Ų | 100.6 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | 77.2 | 96.4 | 124.9 | -61.7 | 176.6 | 30.3 | 0 | 0 | 121.1 | |||||
| 1789 | L | 26.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 98 Ų | 98 | 69% | 0.691 | 51% | 0.51 | S | S | * | . | 46.7 | 112.6 | 116.2 | -62.2 | 163.2 | 0 | 0 | 0 | 119.3 | |||||
| 1790 | Y | 27.7 | Very low | 30.1 | Very low | 206 Ų | 206 | 97.9 Ų | 97.9 | 81% | 0.808 | 51% | 0.508 | S | S | * | . | 172.7 | 170.9 | 95.3 | -91.6 | -61.9 | 0 | 0 | 0 | 113.6 | |||||
| 1791 | S | 28.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 96.7 Ų | 96.7 | 76% | 0.762 | 50% | 0.502 | S | S | * | . | trans | 57.7 | 94.2 | 167 | 53 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1792 | S | 25.9 | Very low | 30.5 | Very low | 97 Ų | 97 | 96.5 Ų | 96.5 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | trans | -22.5 | 134.3 | 144.6 | 50.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1793 | H | 26.4 | Very low | 31.2 | Very low | 165 Ų | 165 | 91.5 Ų | 91.5 | 76% | 0.764 | 48% | 0.478 | S | S | * | . | -168.1 | 140.2 | 100.6 | -101 | -68.1 | 0 | 0 | 0 | 113.8 | |||||
| 1794 | N | 26.8 | Very low | 31.6 | Very low | 85 Ų | 85 | 86.8 Ų | 86.8 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | trans | 20 | 101.7 | 157.5 | -58.6 | 55.6 | 0 | 0 | 0 | 120.2 | S2254 | N1794-S2254 WeakPolarHBondContact CA-O 3.14Å; N1794-S2254 WeakPolarHBondContact CB-O 3.47Å; N1794-S2254 PolarHBondContact ND2-O 3.11Å; N1794-S2254 PolarHBondContact ND2-OG 3.19Å | ||
| 1795 | N | 26.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 80.7 Ų | 80.7 | 60% | 0.599 | 43% | 0.429 | S | S | * | . | -171 | 133.5 | 115.6 | -95.9 | -28.8 | 0 | 0 | 0 | 113 | S2254 S2256 | N1795-S2254 WeakPolarHBondContact OD1-CB 3.15Å; N1795-S2256 VanDerWaalsContact O-CB 3.31Å; N1795-S2256 WeakPolarHBondContact O-CB 2.95Å | |||
| 1796 | S | 26.4 | Very low | 33.8 | Very low | 46 Ų | 46 | 76.7 Ų | 76.7 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | trans | -102.9 | 77.7 | -166.8 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1797 | D | 30.1 | Very low | 35.1 | Very low | 40 Ų | 40 | 73.6 Ų | 73.6 | 21% | 0.214 | 38% | 0.381 | C | S | . | . | trans | -124.5 | 102.5 | 174.8 | -72.7 | -49.9 | 0 | 0 | 0 | 109.8 | S2171 K2173 | D1797-S2171 WeakPolarHBondContact CA-O 3.32Å; D1797-S2171 VanDerWaalsContact CB-O 3.29Å; D1797-S2171 WeakPolarHBondContact CB-O 3.45Å; D1797-S2171 WeakPolarHBondContact OD1-CA 3.47Å; D1797-S2171 WeakPolarHBondContact OD1-CB 3.43Å; D1797-K2173 HydrophobicContact CB-CB 3.86Å; D1797-K2173 HydrophobicContact CB-CD 3.83Å; D1797-K2173 HydrophobicContact CB-CG 3.75Å; D1797-K2173 PolarHBondContact O-N 2.89Å; D1797-K2173 WeakPolarHBondContact OD2-CD 3.44Å; D1797-K2173 VanDerWaalsContact OD2-CE 3.27Å; D1797-K2173 WeakPolarHBondContact OD2-CE 3.03Å; D1797-K2173 IonicContact OD2-NZ 2.76Å; D1797-K2173 PolarHBondContact OD2-NZ 3.26Å | ||
| 1798 | V | 32.4 | Very low | 36.8 | Very low | 25 Ų | 25 | 69 Ų | 69 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 118.1 | -163.2 | 169.9 | 0 | 0 | 0 | 0 | 110.1 | L2172 W2240 Y2242 C2259 | V1798-L2172 WeakPolarHBondContact O-CD2 3.25Å; V1798-W2240 HydrophobicContact CG1-CB 4.37Å; V1798-W2240 HydrophobicContact CG1-CD2 4.36Å; V1798-W2240 HydrophobicContact CG1-CG 3.75Å; V1798-Y2242 WeakPolarHBondContact CB-OH 3.36Å; V1798-Y2242 HydrophobicContact CG1-CE2 4.5Å; V1798-Y2242 PolarHBondContact O-OH 2.76Å; V1798-C2259 HydrophobicContact CG1-CB 3.8Å |
| 1799 | S | 33.5 | Very low | 38.5 | Very low | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | trans | -76.4 | -177.5 | -158.5 | 4 | 0 | 0 | 0 | 0 | 117.7 | K2173 W2240 | S1799-K2173 PolarHBondContact OG-O 2.72Å; S1799-W2240 VanDerWaalsContact CA-CZ3 3.48Å; S1799-W2240 VanDerWaalsContact CB-CZ3 3.43Å; S1799-W2240 VanDerWaalsContact O-CZ3 3.32Å; S1799-W2240 WeakPolarHBondContact O-CZ3 3.4Å; S1799-W2240 WeakPolarHBondContact OG-CH2 3.27Å; S1799-W2240 WeakPolarHBondContact OG-CZ2 3.37Å | ||
| 1800 | R | 33.1 | Very low | 40.6 | Very low | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | trans | -152.5 | 161 | -163.5 | -75.4 | -168.4 | 160.5 | -157.6 | -4.6 | 112 | R1802 L2169 L2172 Y2193 I2227 Y2228 Y2242 | R1800-R1802 VanDerWaalsContact C-N 3.32Å; R1800-R1802 VanDerWaalsContact O-CB 3.23Å; R1800-R1802 WeakPolarHBondContact O-CB 2.96Å; R1800-R1802 WeakPolarHBondContact O-CG 3.47Å; R1800-R1802 PolarHBondContact O-N 2.97Å; R1800-L2169 HydrophobicContact CB-CD2 4.23Å; R1800-L2172 HydrophobicContact CB-CD1 3.61Å; R1800-L2172 HydrophobicContact CG-CD1 3.71Å; R1800-Y2193 HydrophobicContact CB-CD1 3.47Å; R1800-Y2193 VanDerWaalsContact CB-CD1 3.47Å; R1800-Y2193 HydrophobicContact CB-CE1 3.52Å; R1800-Y2193 WeakPolarHBondContact O-CD1 2.99Å; R1800-Y2193 WeakPolarHBondContact O-CE1 3.22Å; R1800-I2227 HydrophobicContact CB-CB 4.16Å; R1800-I2227 HydrophobicContact CB-CG2 3.2Å; R1800-I2227 HydrophobicContact CG-CB 3.83Å; R1800-I2227 HydrophobicContact CG-CG2 3.34Å; R1800-I2227 VanDerWaalsContact NH1-CD1 3.3Å; R1800-Y2228 CarbonylContact C-O 3.56Å; R1800-Y2228 WeakPolarHBondContact CA-O 3.44Å; R1800-Y2228 PolarHBondContact N-O 2.65Å; R1800-Y2242 HydrophobicContact CG-CE2 4.49Å; R1800-Y2242 VanDerWaalsContact NH2-CE2 3.31Å | ||
| 1801 | N | 38.9 | Very low | 42.7 | Very low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -78.3 | 62.7 | -152.1 | -159.3 | 8.7 | 0 | 0 | 0 | 120.4 | I1803 S2192 Y2193 H2194 Y2228 A2229 T2230 | N1801-I1803 PolarHBondContact O-N 2.9Å; N1801-I1803 VanDerWaalsContact O-N 3.08Å; N1801-S2192 CarbonylContact C-O 3.4Å; N1801-Y2193 VanDerWaalsContact C-CA 3.48Å; N1801-Y2193 CarbonylContact O-C 3.6Å; N1801-Y2193 WeakPolarHBondContact O-CA 3.45Å; N1801-H2194 VanDerWaalsContact C-N 3.27Å; N1801-H2194 HydrophobicContact CB-CB 4.07Å; N1801-H2194 PolarHBondContact N-O 3.41Å; N1801-H2194 PolarHBondContact O-N 3.08Å; N1801-Y2228 WeakPolarHBondContact CA-O 3.18Å; N1801-Y2228 HydrophobicContact CB-CD1 3.91Å; N1801-Y2228 HydrophobicContact CB-CD2 4.03Å; N1801-Y2228 HydrophobicContact CB-CE1 4.34Å; N1801-Y2228 HydrophobicContact CB-CG 3.6Å; N1801-Y2228 VanDerWaalsContact CB-N 3.35Å; N1801-Y2228 PolarHBondContact N-O 3.14Å; N1801-Y2228 WeakPolarHBondContact ND2-CD2 3.42Å; N1801-Y2228 WeakPolarHBondContact ND2-CE2 3.4Å; N1801-A2229 VanDerWaalsContact OD1-C 3.29Å; N1801-A2229 WeakPolarHBondContact OD1-CA 3.21Å; N1801-A2229 PolarHBondContact OD1-N 3.43Å; N1801-T2230 WeakPolarHBondContact OD1-CG2 3.26Å; N1801-T2230 PolarHBondContact OD1-N 2.98Å; N1801-T2230 VanDerWaalsContact OD1-N 3.08Å; N1801-T2230 PolarHBondContact OD1-OG1 2.7Å | ||
| 1802 | R | 42.6 | Very low | 44.9 | Very low | 62 Ų | 62 | 49.3 Ų | 49.3 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | trans | -13.3 | 70.9 | 135.9 | -79.1 | -48 | -148.1 | 147 | 0.9 | 119.5 | R1800 L2191 S2192 Y2193 A2229 T2230 | R1800-R1802 VanDerWaalsContact C-N 3.32Å; R1800-R1802 VanDerWaalsContact O-CB 3.23Å; R1800-R1802 WeakPolarHBondContact O-CB 2.96Å; R1800-R1802 WeakPolarHBondContact O-CG 3.47Å; R1800-R1802 PolarHBondContact O-N 2.97Å; R1802-L2191 HydrophobicContact CB-CB 3.26Å; R1802-L2191 HydrophobicContact CB-CD2 3.86Å; R1802-L2191 HydrophobicContact CB-CG 4.14Å; R1802-L2191 VanDerWaalsContact CD-C 3.41Å; R1802-L2191 VanDerWaalsContact CD-O 3.23Å; R1802-L2191 WeakPolarHBondContact CD-O 3.3Å; R1802-L2191 HydrophobicContact CG-CB 3.58Å; R1802-L2191 HydrophobicContact CG-CD1 4.27Å; R1802-L2191 HydrophobicContact CG-CD2 3.99Å; R1802-L2191 HydrophobicContact CG-CG 4.18Å; R1802-L2191 VanDerWaalsContact CZ-CD1 3.42Å; R1802-L2191 PolarHBondContact NH1-O 3.1Å; R1802-S2192 CarbonylContact C-O 3.5Å; R1802-S2192 VanDerWaalsContact CA-O 3.27Å; R1802-S2192 WeakPolarHBondContact CA-O 3.48Å; R1802-S2192 PolarHBondContact N-O 2.84Å; R1802-Y2193 HydrophobicContact CG-CD1 3.84Å; R1802-Y2193 HydrophobicContact CG-CD2 4.47Å; R1802-Y2193 HydrophobicContact CG-CE1 3.42Å; R1802-Y2193 VanDerWaalsContact CG-CE1 3.42Å; R1802-Y2193 HydrophobicContact CG-CE2 4.16Å; R1802-Y2193 HydrophobicContact CG-CG 4.32Å; R1802-Y2193 VanDerWaalsContact N-CA 3.34Å; R1802-Y2193 PolarHBondContact NE-OH 3.41Å; R1802-A2229 HydrophobicContact CB-CB 3.56Å; R1802-A2229 HydrophobicContact CG-CB 4.11Å; R1802-T2230 VanDerWaalsContact C-OG1 3.32Å; R1802-T2230 CarbonylContact O-C 3.58Å; R1802-T2230 WeakPolarHBondContact O-CA 3.16Å; R1802-T2230 WeakPolarHBondContact O-CB 3.18Å; R1802-T2230 PolarHBondContact O-N 2.7Å; R1802-T2230 PolarHBondContact O-OG1 3.34Å | ||
| 1803 | I | 49.5 | Very low | 47.3 | Very low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -38.3 | 145.8 | 173.9 | -60.3 | 155.5 | 0 | 0 | 0 | 116 | L1739 I1776 Y1778 N1801 I1806 S2192 H2194 T2230 | L1739-I1803 HydrophobicContact CD1-CD1 3.68Å; I1776-I1803 HydrophobicContact CG2-CG1 4.32Å; I1776-I1803 HydrophobicContact CG2-CG2 3.86Å; Y1778-I1803 HydrophobicContact CE1-CG1 4.11Å; N1801-I1803 PolarHBondContact O-N 2.9Å; N1801-I1803 VanDerWaalsContact O-N 3.08Å; I1803-I1806 HydrophobicContact CG2-CG1 4.26Å; I1803-S2192 VanDerWaalsContact CG1-O 3.3Å; I1803-S2192 WeakPolarHBondContact CG1-O 3.25Å; I1803-S2192 PolarHBondContact N-O 2.82Å; I1803-S2192 PolarHBondContact O-N 2.84Å; I1803-H2194 WeakPolarHBondContact CD1-CE1 3.36Å; I1803-H2194 WeakPolarHBondContact CD1-NE2 3.15Å; I1803-H2194 WeakPolarHBondContact CG1-NE2 3.3Å; I1803-T2230 CarbonylContact C-O 3.56Å; I1803-T2230 VanDerWaalsContact C-OG1 3.27Å; I1803-T2230 WeakPolarHBondContact CA-OG1 3.28Å; I1803-T2230 PolarHBondContact N-OG1 2.7Å |
| 1804 | K | 39.8 | Very low | 49.4 | Very low | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | trans | -84.7 | -63.6 | 174.2 | -163.1 | -162.7 | -163.9 | -95.4 | 0 | 115.3 | E1777 S1779 T2230 N2231 K2232 E2235 | E1777-K1804 HydrophobicContact CB-CB 3.97Å; E1777-K1804 HydrophobicContact CB-CD 4.16Å; E1777-K1804 WeakPolarHBondContact O-CB 3.46Å; E1777-K1804 PolarHBondContact O-N 2.97Å; E1777-K1804 VanDerWaalsContact O-N 3.11Å; E1777-K1804 WeakPolarHBondContact OE2-CD 3.21Å; E1777-K1804 IonicContact OE2-NZ 2.65Å; S1779-K1804 VanDerWaalsContact CB-CD 3.49Å; K1804-T2230 WeakPolarHBondContact CA-O 3.13Å; K1804-T2230 PolarHBondContact N-O 2.87Å; K1804-T2230 VanDerWaalsContact N-O 3.08Å; K1804-T2230 PolarHBondContact N-OG1 3.34Å; K1804-N2231 WeakPolarHBondContact CG-O 3.44Å; K1804-K2232 WeakPolarHBondContact CE-O 3.47Å; K1804-K2232 VanDerWaalsContact CG-CA 3.48Å; K1804-K2232 WeakPolarHBondContact CG-O 3.22Å; K1804-K2232 PolarHBondContact NZ-O 2.96Å; K1804-K2232 WeakPolarHBondContact O-CB 3.47Å; K1804-K2232 WeakPolarHBondContact O-CD 3.37Å; K1804-K2232 WeakPolarHBondContact O-CE 3.46Å; K1804-K2232 WeakPolarHBondContact O-CG 3.39Å; K1804-E2235 HydrophobicContact CD-CG 4.32Å | ||
| 1805 | N | 47.7 | Very low | 51.3 | Low | 59 Ų | 59 | 40.5 Ų | 40.5 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 153.7 | -174.6 | -82.1 | -38 | 0 | 0 | 0 | 107.1 | E1777 | E1777-N1805 HydrophobicContact CB-CB 4.06Å; E1777-N1805 HydrophobicContact CG-CB 4.22Å; E1777-N1805 PolarHBondContact N-O 3.15Å; E1777-N1805 WeakPolarHBondContact OE2-CB 3.16Å; E1777-N1805 PolarHBondContact OE2-ND2 3.14Å |
| 1806 | I | 59.5 | Low | 53 | Low | 15 Ų | 15 | 39.1 Ų | 39.1 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 94.7 | 168.8 | -57.4 | 177.1 | 0 | 0 | 0 | 104.7 | I1730 L1739 H1740 L1774 I1803 V1808 | I1730-I1806 HydrophobicContact CD1-CD1 4.34Å; I1730-I1806 HydrophobicContact CD1-CG2 4.11Å; I1730-I1806 HydrophobicContact CG2-CD1 4.47Å; L1739-I1806 HydrophobicContact CB-CD1 4.21Å; L1739-I1806 HydrophobicContact CD1-CD1 4.28Å; H1740-I1806 HydrophobicContact CB-CD1 4.38Å; L1774-I1806 HydrophobicContact CD2-CG2 3.4Å; I1803-I1806 HydrophobicContact CG2-CG1 4.26Å; I1806-V1808 HydrophobicContact CG2-CG2 3.81Å; I1806-V1808 PolarHBondContact O-N 2.73Å |
| 1807 | E | 58 | Low | 54.4 | Low | 88 Ų | 88 | 37.5 Ų | 37.5 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 102 | 170.3 | -71.1 | -148.9 | 139.7 | 0 | 0 | 108.2 | E1775 K1809 | E1775-E1807 HydrophobicContact CB-CB 4.19Å; E1775-E1807 PolarHBondContact N-O 3.12Å; E1775-E1807 PolarHBondContact O-N 2.89Å; E1807-K1809 PolarHBondContact O-N 2.83Å; E1807-K1809 WeakPolarHBondContact OE2-CE 2.92Å; E1807-K1809 IonicContact OE2-NZ 3.52Å; E1807-K1809 PolarHBondContact OE2-NZ 2.71Å |
| 1808 | V | 64.7 | Low | 55.5 | Low | 29 Ų | 29 | 41.5 Ų | 41.5 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 94.8 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 109 | I1730 F1742 F1760 W1772 L1774 I1806 | I1730-V1808 HydrophobicContact CD1-CG2 4.35Å; F1742-V1808 HydrophobicContact CD1-CG2 4.09Å; F1742-V1808 HydrophobicContact CD2-CG1 4.16Å; F1742-V1808 HydrophobicContact CE1-CG1 4.22Å; F1742-V1808 HydrophobicContact CE1-CG2 4.15Å; F1742-V1808 HydrophobicContact CE2-CG1 3.84Å; F1742-V1808 HydrophobicContact CG-CG1 4.5Å; F1742-V1808 HydrophobicContact CZ-CG1 3.89Å; F1760-V1808 HydrophobicContact CE1-CG1 4.16Å; F1760-V1808 HydrophobicContact CZ-CG1 3.89Å; W1772-V1808 HydrophobicContact CB-CG1 4.2Å; W1772-V1808 HydrophobicContact CD2-CG1 4.24Å; W1772-V1808 HydrophobicContact CE3-CG1 3.72Å; W1772-V1808 HydrophobicContact CG-CG1 4.48Å; W1772-V1808 HydrophobicContact CZ3-CG1 4.42Å; L1774-V1808 HydrophobicContact CD2-CG2 4.14Å; I1806-V1808 HydrophobicContact CG2-CG2 3.81Å; I1806-V1808 PolarHBondContact O-N 2.73Å |
| 1809 | K | 63.5 | Low | 56.8 | Low | 81 Ų | 81 | 47.6 Ų | 47.6 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.7 | -179.4 | -77.5 | 165.2 | -175.1 | 160.9 | 0 | 110.9 | W1772 R1773 E1775 E1807 I1811 | W1772-K1809 CarbonylContact C-O 3.48Å; W1772-K1809 WeakPolarHBondContact CA-O 3.34Å; R1773-K1809 PolarHBondContact N-O 3.19Å; R1773-K1809 PolarHBondContact O-N 2.79Å; E1775-K1809 WeakPolarHBondContact OE2-CD 3.33Å; E1775-K1809 IonicContact OE2-NZ 3.57Å; E1775-K1809 PolarHBondContact OE2-NZ 3.41Å; E1807-K1809 PolarHBondContact O-N 2.83Å; E1807-K1809 WeakPolarHBondContact OE2-CE 2.92Å; E1807-K1809 IonicContact OE2-NZ 3.52Å; E1807-K1809 PolarHBondContact OE2-NZ 2.71Å; K1809-I1811 PolarHBondContact O-N 3.2Å |
| 1810 | Q | 70.7 | Confident | 58.1 | Low | 62 Ų | 62 | 50.2 Ų | 50.2 | 29% | 0.29 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 108.1 | 167.4 | -169.4 | -171.8 | -68.7 | 0 | 0 | 108.3 | W1772 | W1772-Q1810 HydrophobicContact CD2-CB 4.46Å; W1772-Q1810 HydrophobicContact CE3-CB 3.68Å; W1772-Q1810 HydrophobicContact CE3-CG 4.24Å; W1772-Q1810 HydrophobicContact CH2-CB 4.36Å; W1772-Q1810 HydrophobicContact CH2-CG 4.48Å; W1772-Q1810 HydrophobicContact CZ3-CB 3.65Å; W1772-Q1810 HydrophobicContact CZ3-CG 4.2Å |
| 1811 | I | 72 | Confident | 59.7 | Low | 31 Ų | 31 | 51.9 Ų | 51.9 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -46.7 | -179 | -54.3 | -170.8 | 0 | 0 | 0 | 110.4 | F1771 R1773 K1809 E1853 | F1771-I1811 HydrophobicContact CD1-CB 4Å; F1771-I1811 HydrophobicContact CE1-CB 4.22Å; F1771-I1811 HydrophobicContact CE1-CD1 4.08Å; F1771-I1811 PolarHBondContact O-N 2.83Å; R1773-I1811 HydrophobicContact CB-CD1 3.51Å; R1773-I1811 HydrophobicContact CB-CG1 4.06Å; R1773-I1811 HydrophobicContact CG-CD1 4.2Å; K1809-I1811 PolarHBondContact O-N 3.2Å; I1811-E1853 HydrophobicContact CG2-CG 4.2Å |
| 1812 | K | 75 | Confident | 61.2 | Low | 19 Ų | 19 | 51.9 Ų | 51.9 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.3 | -174 | -50.2 | -163.8 | -176.7 | -159.2 | 0 | 110.5 | F1771 W1848 V1851 | F1771-K1812 HydrophobicContact CB-CB 4.43Å; F1771-K1812 HydrophobicContact CD1-CG 4.38Å; F1771-K1812 PolarHBondContact N-O 2.69Å; K1812-W1848 HydrophobicContact CB-CE3 3.67Å; K1812-W1848 HydrophobicContact CB-CZ3 3.71Å; K1812-W1848 HydrophobicContact CD-CB 4.37Å; K1812-W1848 HydrophobicContact CD-CE3 4.16Å; K1812-W1848 WeakPolarHBondContact CD-O 3.18Å; K1812-W1848 WeakPolarHBondContact CE-O 3.24Å; K1812-W1848 HydrophobicContact CG-CE3 4.42Å; K1812-W1848 PolarHBondContact NZ-O 2.86Å; K1812-V1851 HydrophobicContact CB-CG1 4.03Å; K1812-V1851 HydrophobicContact CD-CB 3.91Å; K1812-V1851 HydrophobicContact CD-CG1 3.96Å; K1812-V1851 WeakPolarHBondContact CD-O 3.17Å; K1812-V1851 WeakPolarHBondContact CE-O 3.43Å; K1812-V1851 HydrophobicContact CG-CG1 4.33Å; K1812-V1851 PolarHBondContact NZ-O 3.04Å |
| 1813 | S | 75.7 | Confident | 62.5 | Low | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133.3 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | L1769 | L1769-S1813 CarbonylContact O-C 3.59Å; L1769-S1813 WeakPolarHBondContact O-CA 3.46Å |
| 1814 | I | 71.6 | Confident | 63.4 | Low | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 109.5 | -177 | -69.7 | 173.4 | 0 | 0 | 0 | 107.9 | L1769 H1816 F1817 V1846 W1848 V1851 Y1872 L1873 | L1769-I1814 HydrophobicContact CB-CB 4.26Å; L1769-I1814 PolarHBondContact N-O 3.02Å; L1769-I1814 PolarHBondContact O-N 3.28Å; I1814-H1816 HydrophobicContact CG2-CB 3.83Å; I1814-F1817 HydrophobicContact CG2-CE2 4.1Å; I1814-V1846 HydrophobicContact CD1-CG1 3.57Å; I1814-W1848 HydrophobicContact CD1-CE3 4.22Å; I1814-W1848 HydrophobicContact CD1-CH2 3.86Å; I1814-W1848 HydrophobicContact CD1-CZ3 3.56Å; I1814-W1848 HydrophobicContact CG1-CH2 4.36Å; I1814-W1848 HydrophobicContact CG1-CZ3 3.94Å; I1814-V1851 HydrophobicContact CD1-CG2 4.39Å; I1814-Y1872 HydrophobicContact CD1-CD2 4.4Å; I1814-Y1872 HydrophobicContact CD1-CE2 4.43Å; I1814-Y1872 HydrophobicContact CG1-CE2 4.4Å; I1814-L1873 HydrophobicContact CD1-CD1 4.42Å; I1814-L1873 HydrophobicContact CD1-CD2 4.42Å; I1814-L1873 HydrophobicContact CD1-CG 4.44Å; I1814-L1873 HydrophobicContact CG2-CD1 3.73Å |
| 1815 | N | 65.3 | Low | 65.1 | Low | 110 Ų | 110 | 52.3 Ų | 52.3 | 59% | 0.588 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 77.9 | 174 | -62.7 | -1 | 0 | 0 | 0 | 107.7 | S1768 | S1768-N1815 VanDerWaalsContact CB-OD1 3.28Å; S1768-N1815 WeakPolarHBondContact CB-OD1 3.22Å |
| 1816 | H | 63.8 | Low | 66.3 | Low | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | trans | -120.4 | -26.8 | -172.7 | -171.5 | -86.4 | 0 | 0 | 0 | 113.5 | I1814 D1818 L1873 | I1814-H1816 HydrophobicContact CG2-CB 3.83Å; H1816-D1818 VanDerWaalsContact C-N 3.32Å; H1816-D1818 PolarHBondContact O-N 2.97Å; H1816-L1873 HydrophobicContact CB-CD1 4.13Å | ||
| 1817 | F | 55.5 | Low | 66.8 | Low | 11 Ų | 11 | 50.3 Ų | 50.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | trans | -97.6 | 38.7 | -169.3 | -50.5 | -74.3 | 0 | 0 | 0 | 112.6 | G1767 L1769 I1814 N1819 E1820 W1844 L1873 | G1767-F1817 WeakPolarHBondContact CA-O 3.07Å; G1767-F1817 WeakPolarHBondContact O-CB 3.37Å; G1767-F1817 PolarHBondContact O-N 3.47Å; L1769-F1817 HydrophobicContact CD1-CD2 3.87Å; L1769-F1817 HydrophobicContact CD1-CE2 3.61Å; I1814-F1817 HydrophobicContact CG2-CE2 4.1Å; F1817-N1819 PolarHBondContact O-N 3.42Å; F1817-E1820 HydrophobicContact CB-CB 4.43Å; F1817-E1820 PolarHBondContact O-N 2.98Å; F1817-W1844 HydrophobicContact CD1-CZ2 4.1Å; F1817-W1844 AromaticContact CE1-CD2 3.51Å; F1817-W1844 HydrophobicContact CE1-CD2 3.51Å; F1817-W1844 AromaticContact CE1-CE2 3.43Å; F1817-W1844 VanDerWaalsContact CE1-CE2 3.43Å; F1817-W1844 AromaticContact CE1-CE3 3.81Å; F1817-W1844 HydrophobicContact CE1-CE3 3.81Å; F1817-W1844 HydrophobicContact CE1-CG 4Å; F1817-W1844 AromaticContact CE1-CH2 3.99Å; F1817-W1844 HydrophobicContact CE1-CH2 3.99Å; F1817-W1844 AromaticContact CE1-CZ2 3.7Å; F1817-W1844 HydrophobicContact CE1-CZ2 3.7Å; F1817-W1844 HydrophobicContact CE1-CZ3 4.04Å; F1817-W1844 AromaticContact CE1-NE1 3.84Å; F1817-W1844 HydrophobicContact CZ-CD2 4.04Å; F1817-W1844 HydrophobicContact CZ-CE3 4.23Å; F1817-W1844 HydrophobicContact CZ-CG 4.22Å; F1817-L1873 HydrophobicContact CZ-CD1 4.45Å; F1817-L1873 HydrophobicContact CZ-CD2 4.16Å | ||
| 1818 | D | 52.8 | Low | 67 | Low | 124 Ų | 124 | 47.1 Ų | 47.1 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -43.8 | 110.4 | -179.3 | -80.9 | -4.9 | 0 | 0 | 0 | 111.1 | H1816 | H1816-D1818 VanDerWaalsContact C-N 3.32Å; H1816-D1818 PolarHBondContact O-N 2.97Å |
| 1819 | N | 59 | Low | 66.6 | Low | 154 Ų | 154 | 50 Ų | 50 | 82% | 0.824 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 8.2 | -177.7 | -41.6 | -91.7 | 0 | 0 | 0 | 118.2 | S1766 F1817 | S1766-N1819 PolarHBondContact O-N 2.69Å; S1766-N1819 VanDerWaalsContact O-N 3.15Å; F1817-N1819 PolarHBondContact O-N 3.42Å |
| 1820 | E | 61.7 | Low | 66.3 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | trans | -110 | 134.5 | 167.1 | -72 | -166.4 | -169.6 | 0 | 0 | 112.1 | G1767 F1817 T1838 N1842 | G1767-E1820 WeakPolarHBondContact CA-O 3.47Å; G1767-E1820 PolarHBondContact N-O 3.49Å; F1817-E1820 HydrophobicContact CB-CB 4.43Å; F1817-E1820 PolarHBondContact O-N 2.98Å; E1820-T1838 WeakPolarHBondContact OE2-CB 3.49Å; E1820-T1838 PolarHBondContact OE2-OG1 2.72Å; E1820-N1842 PolarHBondContact OE1-ND2 3.44Å; E1820-N1842 PolarHBondContact OE2-ND2 3.32Å | ||
| 1821 | V | 66.4 | Low | 65.9 | Low | 36 Ų | 36 | 49.7 Ų | 49.7 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | trans | -84.9 | 133.7 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 110 | V1765 L1823 T1838 S1839 | V1765-V1821 HydrophobicContact CB-CG2 4.39Å; V1765-V1821 HydrophobicContact CG1-CG2 4.06Å; V1765-V1821 HydrophobicContact CG2-CG1 4.14Å; V1821-L1823 HydrophobicContact CG1-CD2 4.3Å; V1821-T1838 CarbonylContact O-C 3.42Å; V1821-T1838 VanDerWaalsContact O-CA 3.26Å; V1821-T1838 WeakPolarHBondContact O-CA 3.36Å; V1821-S1839 PolarHBondContact N-OG 2.89Å; V1821-S1839 PolarHBondContact O-N 3.35Å | ||
| 1822 | I | 69.8 | Low | 65.5 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 138.6 | 174.6 | -65.5 | 120.2 | 0 | 0 | 0 | 110.5 | S1750 V1751 S1768 L1769 I1836 S1837 T1838 | S1750-I1822 VanDerWaalsContact CB-O 3.29Å; S1750-I1822 WeakPolarHBondContact CB-O 3.5Å; S1750-I1822 PolarHBondContact OG-O 3.38Å; V1751-I1822 HydrophobicContact CB-CG2 4.1Å; V1751-I1822 HydrophobicContact CG2-CG2 4.03Å; V1751-I1822 WeakPolarHBondContact CG2-O 3.5Å; S1768-I1822 WeakPolarHBondContact O-CD1 3.47Å; L1769-I1822 HydrophobicContact CD1-CD1 4.12Å; L1769-I1822 HydrophobicContact CD1-CG1 4.23Å; L1769-I1822 HydrophobicContact CD2-CD1 4.16Å; L1769-I1822 HydrophobicContact CD2-CG1 4.39Å; L1769-I1822 HydrophobicContact CD2-CG2 4.44Å; L1769-I1822 HydrophobicContact CG-CD1 3.72Å; L1769-I1822 HydrophobicContact CG-CG1 4.22Å; I1822-I1836 HydrophobicContact CG1-CG2 4.42Å; I1822-I1836 HydrophobicContact CG2-CG2 3.58Å; I1822-S1837 WeakPolarHBondContact CA-O 3.35Å; I1822-T1838 HydrophobicContact CG1-CG2 4.49Å |
| 1823 | L | 70 | Confident | 65.2 | Low | 68 Ų | 68 | 53.5 Ų | 53.5 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -29.6 | -171.3 | -64.1 | -176.3 | 0 | 0 | 0 | 115.8 | V1751 V1821 S1837 P1883 | V1751-L1823 VanDerWaalsContact CG2-O 3.31Å; V1751-L1823 WeakPolarHBondContact CG2-O 3.16Å; V1821-L1823 HydrophobicContact CG1-CD2 4.3Å; L1823-S1837 PolarHBondContact N-O 3.22Å; L1823-P1883 HydrophobicContact CD1-CB 3.56Å |
| 1824 | S | 69.9 | Low | 65 | Low | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 156.1 | 169.1 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | I1836 S1837 I1884 I1885 | S1824-I1836 WeakPolarHBondContact O-CA 3.31Å; S1824-S1837 PolarHBondContact N-OG 2.85Å; S1824-S1837 VanDerWaalsContact N-OG 3.08Å; S1824-S1837 PolarHBondContact O-N 2.97Å; S1824-S1837 PolarHBondContact OG-OG 3.26Å; S1824-I1884 WeakPolarHBondContact CB-O 3.24Å; S1824-I1884 PolarHBondContact OG-O 2.98Å; S1824-I1885 WeakPolarHBondContact CB-O 3.43Å |
| 1825 | A | 73.7 | Confident | 65.3 | Low | 10 Ų | 10 | 51.1 Ų | 51.1 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 144.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1751 S1753 F1827 V1835 I1836 | V1751-A1825 HydrophobicContact CG1-CB 4.29Å; S1753-A1825 VanDerWaalsContact CB-O 3.31Å; S1753-A1825 WeakPolarHBondContact CB-O 3.05Å; S1753-A1825 PolarHBondContact OG-O 2.63Å; A1825-F1827 HydrophobicContact CB-CE2 3.83Å; A1825-F1827 HydrophobicContact CB-CZ 4.27Å; A1825-V1835 WeakPolarHBondContact CA-O 3.12Å; A1825-I1836 HydrophobicContact CB-CB 4.47Å; A1825-I1836 HydrophobicContact CB-CG1 3.99Å; A1825-I1836 HydrophobicContact CB-CG2 4.27Å |
| 1826 | C | 73.4 | Confident | 65.8 | Low | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.135 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.3 | 173.4 | -173 | 0 | 0 | 0 | 0 | 110.4 | G1834 V1835 L1887 | C1826-G1834 CarbonylContact O-C 3.49Å; C1826-G1834 VanDerWaalsContact O-CA 3.25Å; C1826-G1834 WeakPolarHBondContact O-CA 3.43Å; C1826-V1835 PolarHBondContact N-O 2.98Å; C1826-V1835 PolarHBondContact O-N 3.32Å; C1826-L1887 HydrophobicContact CB-CB 3.4Å; C1826-L1887 VanDerWaalsContact CB-CB 3.4Å; C1826-L1887 HydrophobicContact CB-CD1 4.26Å; C1826-L1887 HydrophobicContact CB-CG 4.45Å |
| 1827 | F | 70.2 | Confident | 66.4 | Low | 12 Ų | 12 | 42.1 Ų | 42.1 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.7 | -173 | -61.4 | -90.2 | 0 | 0 | 0 | 110.3 | V1761 A1825 I1833 G1834 I1836 W1848 | V1761-F1827 HydrophobicContact CB-CE2 3.63Å; V1761-F1827 HydrophobicContact CB-CZ 3.78Å; V1761-F1827 HydrophobicContact CG1-CE2 4.11Å; V1761-F1827 HydrophobicContact CG1-CZ 3.83Å; V1761-F1827 HydrophobicContact CG2-CD2 4.2Å; V1761-F1827 HydrophobicContact CG2-CE1 4Å; V1761-F1827 HydrophobicContact CG2-CE2 3.62Å; V1761-F1827 HydrophobicContact CG2-CZ 3.54Å; A1825-F1827 HydrophobicContact CB-CE2 3.83Å; A1825-F1827 HydrophobicContact CB-CZ 4.27Å; F1827-I1833 WeakPolarHBondContact CA-O 3.41Å; F1827-G1834 VanDerWaalsContact CD1-CA 3.41Å; F1827-I1836 HydrophobicContact CZ-CD1 3.99Å; F1827-I1836 HydrophobicContact CZ-CG1 4.17Å; F1827-W1848 AromaticContact CD1-NE1 3.49Å; F1827-W1848 HydrophobicContact CE1-CZ2 4.2Å; F1827-W1848 AromaticContact CE1-NE1 3.23Å |
| 1828 | D | 61.6 | Low | 67.3 | Low | 21 Ų | 21 | 41.7 Ų | 41.7 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -70.2 | 173.7 | 177.9 | 79.7 | -65.7 | 0 | 0 | 0 | 113.1 | E1830 G1831 Q1832 I1833 W1889 | D1828-E1830 VanDerWaalsContact C-N 3.3Å; D1828-E1830 PolarHBondContact O-N 3.24Å; D1828-E1830 VanDerWaalsContact OD2-CA 3.3Å; D1828-E1830 WeakPolarHBondContact OD2-CA 3.26Å; D1828-E1830 VanDerWaalsContact OD2-CB 3.23Å; D1828-E1830 WeakPolarHBondContact OD2-CB 3.17Å; D1828-E1830 PolarHBondContact OD2-N 2.89Å; D1828-G1831 PolarHBondContact O-N 3.16Å; D1828-G1831 VanDerWaalsContact OD1-C 3.26Å; D1828-G1831 VanDerWaalsContact OD1-CA 3.22Å; D1828-G1831 WeakPolarHBondContact OD1-CA 3.25Å; D1828-G1831 PolarHBondContact OD1-N 3.5Å; D1828-G1831 PolarHBondContact OD2-N 3.02Å; D1828-Q1832 PolarHBondContact OD1-N 2.83Å; D1828-I1833 PolarHBondContact N-O 3.29Å; D1828-I1833 PolarHBondContact OD1-N 3.13Å; D1828-W1889 HydrophobicContact CB-CD2 4Å; D1828-W1889 HydrophobicContact CB-CE3 4.1Å; D1828-W1889 HydrophobicContact CB-CH2 3.88Å; D1828-W1889 HydrophobicContact CB-CZ2 3.75Å; D1828-W1889 HydrophobicContact CB-CZ3 4.04Å | ||
| 1829 | I | 56.7 | Low | 67.9 | Low | 89 Ų | 89 | 38.5 Ų | 38.5 | 46% | 0.456 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -68.7 | -26.3 | -178.6 | -64.3 | -171.9 | 0 | 0 | 0 | 112.7 | T1891 | I1829-T1891 HydrophobicContact CD1-CG2 3.56Å; I1829-T1891 HydrophobicContact CG1-CG2 3.97Å |
| 1830 | E | 58.2 | Low | 68.2 | Low | 130 Ų | 130 | 32.8 Ų | 32.8 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -86.7 | -23.4 | 176 | -50.6 | -158.5 | 152.3 | 0 | 0 | 112.5 | D1828 Q1832 | D1828-E1830 VanDerWaalsContact C-N 3.3Å; D1828-E1830 PolarHBondContact O-N 3.24Å; D1828-E1830 VanDerWaalsContact OD2-CA 3.3Å; D1828-E1830 WeakPolarHBondContact OD2-CA 3.26Å; D1828-E1830 VanDerWaalsContact OD2-CB 3.23Å; D1828-E1830 WeakPolarHBondContact OD2-CB 3.17Å; D1828-E1830 PolarHBondContact OD2-N 2.89Å; E1830-Q1832 HydrophobicContact CB-CG 4.05Å; E1830-Q1832 PolarHBondContact OE2-NE2 2.73Å |
| 1831 | G | 61.3 | Low | 68.5 | Low | 7 Ų | 7 | 31.2 Ų | 31.2 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 80.4 | 19.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1828 | D1828-G1831 PolarHBondContact O-N 3.16Å; D1828-G1831 VanDerWaalsContact OD1-C 3.26Å; D1828-G1831 VanDerWaalsContact OD1-CA 3.22Å; D1828-G1831 WeakPolarHBondContact OD1-CA 3.25Å; D1828-G1831 PolarHBondContact OD1-N 3.5Å; D1828-G1831 PolarHBondContact OD2-N 3.02Å |
| 1832 | Q | 64.1 | Low | 69 | Low | 90 Ų | 90 | 30.5 Ų | 30.5 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -83.3 | -30.4 | 177.1 | -61.6 | -160.5 | 67 | 0 | 0 | 112.5 | D1828 E1830 W1848 | D1828-Q1832 PolarHBondContact OD1-N 2.83Å; E1830-Q1832 HydrophobicContact CB-CG 4.05Å; E1830-Q1832 PolarHBondContact OE2-NE2 2.73Å; Q1832-W1848 WeakPolarHBondContact O-CA 3.15Å; Q1832-W1848 WeakPolarHBondContact O-CB 3.12Å; Q1832-W1848 PolarHBondContact O-N 2.71Å |
| 1833 | I | 68.6 | Low | 69.3 | Low | 41 Ų | 41 | 30.5 Ų | 30.5 | 21% | 0.21 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.2 | -170.1 | -52.9 | 178.7 | 0 | 0 | 0 | 110 | F1827 D1828 Y1845 V1846 W1889 | F1827-I1833 WeakPolarHBondContact CA-O 3.41Å; D1828-I1833 PolarHBondContact N-O 3.29Å; D1828-I1833 PolarHBondContact OD1-N 3.13Å; I1833-Y1845 HydrophobicContact CG2-CD2 4.4Å; I1833-Y1845 HydrophobicContact CG2-CE1 3.82Å; I1833-Y1845 HydrophobicContact CG2-CE2 3.73Å; I1833-Y1845 VanDerWaalsContact CG2-CZ 3.42Å; I1833-V1846 CarbonylContact C-O 3.46Å; I1833-V1846 WeakPolarHBondContact CA-O 3.01Å; I1833-W1889 HydrophobicContact CB-CH2 4.03Å; I1833-W1889 HydrophobicContact CG2-CH2 3.87Å; I1833-W1889 HydrophobicContact CG2-CZ3 4.45Å |
| 1834 | G | 72.8 | Confident | 69.7 | Low | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1826 F1827 Y1845 V1846 | C1826-G1834 CarbonylContact O-C 3.49Å; C1826-G1834 VanDerWaalsContact O-CA 3.25Å; C1826-G1834 WeakPolarHBondContact O-CA 3.43Å; F1827-G1834 VanDerWaalsContact CD1-CA 3.41Å; G1834-Y1845 WeakPolarHBondContact O-CA 3.03Å; G1834-V1846 PolarHBondContact N-O 3.01Å; G1834-V1846 PolarHBondContact O-N 2.84Å |
| 1835 | V | 75.9 | Confident | 70.1 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 138.4 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | A1825 C1826 L1843 W1844 Y1845 L1876 L1887 L1915 | A1825-V1835 WeakPolarHBondContact CA-O 3.12Å; C1826-V1835 PolarHBondContact N-O 2.98Å; C1826-V1835 PolarHBondContact O-N 3.32Å; V1835-L1843 HydrophobicContact CG1-CD1 3.82Å; V1835-L1843 HydrophobicContact CG1-CD2 3.57Å; V1835-L1843 HydrophobicContact CG1-CG 3.62Å; V1835-W1844 CarbonylContact C-O 3.54Å; V1835-W1844 VanDerWaalsContact CA-O 3.26Å; V1835-W1844 WeakPolarHBondContact CA-O 3.4Å; V1835-Y1845 HydrophobicContact CG2-CD2 4.05Å; V1835-L1876 HydrophobicContact CG2-CD1 4.21Å; V1835-L1887 HydrophobicContact CG1-CD2 4.47Å; V1835-L1915 HydrophobicContact CB-CD2 3.98Å; V1835-L1915 HydrophobicContact CG1-CD2 4.01Å; V1835-L1915 HydrophobicContact CG2-CD2 3.71Å |
| 1836 | I | 76.9 | Confident | 70.2 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.4 | -169.1 | -50.7 | -175.7 | 0 | 0 | 0 | 110.1 | L1769 I1822 S1824 A1825 F1827 L1843 W1844 V1846 | L1769-I1836 HydrophobicContact CD1-CD1 3.53Å; L1769-I1836 HydrophobicContact CD1-CG2 4.27Å; L1769-I1836 HydrophobicContact CD2-CD1 3.71Å; L1769-I1836 HydrophobicContact CG-CD1 4.22Å; I1822-I1836 HydrophobicContact CG1-CG2 4.42Å; I1822-I1836 HydrophobicContact CG2-CG2 3.58Å; S1824-I1836 WeakPolarHBondContact O-CA 3.31Å; A1825-I1836 HydrophobicContact CB-CB 4.47Å; A1825-I1836 HydrophobicContact CB-CG1 3.99Å; A1825-I1836 HydrophobicContact CB-CG2 4.27Å; F1827-I1836 HydrophobicContact CZ-CD1 3.99Å; F1827-I1836 HydrophobicContact CZ-CG1 4.17Å; I1836-L1843 WeakPolarHBondContact O-CA 3.37Å; I1836-W1844 PolarHBondContact N-O 2.85Å; I1836-W1844 PolarHBondContact O-N 3.45Å; I1836-V1846 HydrophobicContact CD1-CG2 3.62Å; I1836-V1846 HydrophobicContact CG1-CG2 3.97Å |
| 1837 | S | 75.6 | Confident | 70.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 149.6 | 173.7 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | I1822 L1823 S1824 N1842 I1884 | I1822-S1837 WeakPolarHBondContact CA-O 3.35Å; L1823-S1837 PolarHBondContact N-O 3.22Å; S1824-S1837 PolarHBondContact N-OG 2.85Å; S1824-S1837 VanDerWaalsContact N-OG 3.08Å; S1824-S1837 PolarHBondContact O-N 2.97Å; S1824-S1837 PolarHBondContact OG-OG 3.26Å; S1837-N1842 WeakPolarHBondContact CA-O 3.15Å; S1837-I1884 PolarHBondContact OG-O 2.88Å |
| 1838 | T | 76 | Confident | 70.4 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 164.8 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 113.1 | E1820 V1821 I1822 G1840 C1841 N1842 | E1820-T1838 WeakPolarHBondContact OE2-CB 3.49Å; E1820-T1838 PolarHBondContact OE2-OG1 2.72Å; V1821-T1838 CarbonylContact O-C 3.42Å; V1821-T1838 VanDerWaalsContact O-CA 3.26Å; V1821-T1838 WeakPolarHBondContact O-CA 3.36Å; I1822-T1838 HydrophobicContact CG1-CG2 4.49Å; T1838-G1840 PolarHBondContact O-N 2.85Å; T1838-C1841 WeakPolarHBondContact O-CA 3.15Å; T1838-C1841 PolarHBondContact O-N 2.75Å; T1838-N1842 PolarHBondContact N-O 2.95Å; T1838-N1842 VanDerWaalsContact N-O 3.1Å |
| 1839 | S | 63.9 | Low | 70.7 | Confident | 58 Ų | 58 | 31.8 Ų | 31.8 | 41% | 0.406 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.8 | 176.4 | 64 | 0 | 0 | 0 | 0 | 114.5 | V1821 C1841 | V1821-S1839 PolarHBondContact N-OG 2.89Å; V1821-S1839 PolarHBondContact O-N 3.35Å; S1839-C1841 PolarHBondContact O-N 3.05Å |
| 1840 | G | 64.8 | Low | 70.9 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 1.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1838 N1842 | T1838-G1840 PolarHBondContact O-N 2.85Å; G1840-N1842 PolarHBondContact O-N 2.85Å |
| 1841 | C | 69.5 | Low | 70.9 | Confident | 23 Ų | 23 | 27 Ų | 27 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 57.4 | 38.3 | -172.8 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | T1838 S1839 Y1880 | T1838-C1841 WeakPolarHBondContact O-CA 3.15Å; T1838-C1841 PolarHBondContact O-N 2.75Å; S1839-C1841 PolarHBondContact O-N 3.05Å; C1841-Y1880 WeakPolarHBondContact CB-O 3.35Å; C1841-Y1880 WeakPolarHBondContact O-CB 3.02Å; C1841-Y1880 PolarHBondContact O-N 3.2Å |
| 1842 | N | 76.9 | Confident | 70.5 | Confident | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150 | 175.7 | -60.7 | -51 | 0 | 0 | 0 | 109.7 | E1820 S1837 T1838 G1840 L1875 S1878 | E1820-N1842 PolarHBondContact OE1-ND2 3.44Å; E1820-N1842 PolarHBondContact OE2-ND2 3.32Å; S1837-N1842 WeakPolarHBondContact CA-O 3.15Å; T1838-N1842 PolarHBondContact N-O 2.95Å; T1838-N1842 VanDerWaalsContact N-O 3.1Å; G1840-N1842 PolarHBondContact O-N 2.85Å; N1842-L1875 HydrophobicContact CB-CD1 4.07Å; N1842-S1878 WeakPolarHBondContact OD1-CA 3.33Å; N1842-S1878 WeakPolarHBondContact OD1-CB 2.86Å |
| 1843 | L | 75.7 | Confident | 69.9 | Low | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.5 | 176.4 | -178.3 | 142.4 | 0 | 0 | 0 | 110.3 | V1835 I1836 L1876 S1877 Y1880 I1884 L1887 T1917 | V1835-L1843 HydrophobicContact CG1-CD1 3.82Å; V1835-L1843 HydrophobicContact CG1-CD2 3.57Å; V1835-L1843 HydrophobicContact CG1-CG 3.62Å; I1836-L1843 WeakPolarHBondContact O-CA 3.37Å; L1843-L1876 HydrophobicContact CD2-CB 3.78Å; L1843-L1876 HydrophobicContact CD2-CD1 3.45Å; L1843-L1876 VanDerWaalsContact CD2-CD1 3.45Å; L1843-L1876 HydrophobicContact CD2-CG 4.16Å; L1843-L1876 PolarHBondContact O-N 3.1Å; L1843-S1877 PolarHBondContact N-O 3.09Å; L1843-S1877 VanDerWaalsContact N-O 3.11Å; L1843-S1877 PolarHBondContact O-N 2.8Å; L1843-Y1880 HydrophobicContact CB-CE2 4.35Å; L1843-I1884 HydrophobicContact CB-CD1 3.96Å; L1843-I1884 HydrophobicContact CD1-CD1 3.48Å; L1843-I1884 VanDerWaalsContact CD1-CD1 3.48Å; L1843-I1884 HydrophobicContact CG-CD1 4.31Å; L1843-L1887 HydrophobicContact CD1-CD2 4.32Å; L1843-T1917 HydrophobicContact CD1-CG2 3.83Å |
| 1844 | W | 78.2 | Confident | 68.7 | Low | 37 Ų | 37 | 38.6 Ų | 38.6 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.1 | -167.1 | -61.3 | 87.7 | 0 | 0 | 0 | 111.1 | F1817 V1835 I1836 L1875 | F1817-W1844 HydrophobicContact CD1-CZ2 4.1Å; F1817-W1844 AromaticContact CE1-CD2 3.51Å; F1817-W1844 HydrophobicContact CE1-CD2 3.51Å; F1817-W1844 AromaticContact CE1-CE2 3.43Å; F1817-W1844 VanDerWaalsContact CE1-CE2 3.43Å; F1817-W1844 AromaticContact CE1-CE3 3.81Å; F1817-W1844 HydrophobicContact CE1-CE3 3.81Å; F1817-W1844 HydrophobicContact CE1-CG 4Å; F1817-W1844 AromaticContact CE1-CH2 3.99Å; F1817-W1844 HydrophobicContact CE1-CH2 3.99Å; F1817-W1844 AromaticContact CE1-CZ2 3.7Å; F1817-W1844 HydrophobicContact CE1-CZ2 3.7Å; F1817-W1844 HydrophobicContact CE1-CZ3 4.04Å; F1817-W1844 AromaticContact CE1-NE1 3.84Å; F1817-W1844 HydrophobicContact CZ-CD2 4.04Å; F1817-W1844 HydrophobicContact CZ-CE3 4.23Å; F1817-W1844 HydrophobicContact CZ-CG 4.22Å; V1835-W1844 CarbonylContact C-O 3.54Å; V1835-W1844 VanDerWaalsContact CA-O 3.26Å; V1835-W1844 WeakPolarHBondContact CA-O 3.4Å; I1836-W1844 PolarHBondContact N-O 2.85Å; I1836-W1844 PolarHBondContact O-N 3.45Å; W1844-L1875 HydrophobicContact CD2-CB 4.49Å; W1844-L1875 HydrophobicContact CD2-CD1 3.92Å; W1844-L1875 HydrophobicContact CE3-CB 3.89Å; W1844-L1875 HydrophobicContact CE3-CD1 4.17Å; W1844-L1875 HydrophobicContact CH2-CB 4.22Å; W1844-L1875 HydrophobicContact CH2-CD1 4.18Å; W1844-L1875 HydrophobicContact CH2-CD2 4.46Å; W1844-L1875 HydrophobicContact CZ2-CD1 3.93Å; W1844-L1875 HydrophobicContact CZ3-CB 3.75Å; W1844-L1875 HydrophobicContact CZ3-CD1 4.3Å; W1844-L1875 HydrophobicContact CZ3-CG 4.49Å |
| 1845 | Y | 77.9 | Confident | 67 | Low | 32 Ų | 32 | 44 Ų | 44 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.4 | 169.4 | -173.3 | -88.1 | 0 | 0 | 0 | 109.5 | I1833 G1834 V1835 D1847 T1874 L1876 P1929 | I1833-Y1845 HydrophobicContact CG2-CD2 4.4Å; I1833-Y1845 HydrophobicContact CG2-CE1 3.82Å; I1833-Y1845 HydrophobicContact CG2-CE2 3.73Å; I1833-Y1845 VanDerWaalsContact CG2-CZ 3.42Å; G1834-Y1845 WeakPolarHBondContact O-CA 3.03Å; V1835-Y1845 HydrophobicContact CG2-CD2 4.05Å; Y1845-D1847 HydrophobicContact CE1-CB 4.41Å; Y1845-T1874 PolarHBondContact N-O 3.13Å; Y1845-T1874 PolarHBondContact O-N 3.37Å; Y1845-T1874 VanDerWaalsContact O-N 3.08Å; Y1845-L1876 HydrophobicContact CD2-CD1 4.25Å; Y1845-P1929 WeakPolarHBondContact CE2-O 3.27Å; Y1845-P1929 PolarHBondContact OH-O 3.34Å |
| 1846 | V | 75.8 | Confident | 64.9 | Low | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 117.8 | -176.9 | -169.2 | 0 | 0 | 0 | 0 | 108.5 | I1814 I1833 G1834 I1836 W1848 L1873 | I1814-V1846 HydrophobicContact CD1-CG1 3.57Å; I1833-V1846 CarbonylContact C-O 3.46Å; I1833-V1846 WeakPolarHBondContact CA-O 3.01Å; G1834-V1846 PolarHBondContact N-O 3.01Å; G1834-V1846 PolarHBondContact O-N 2.84Å; I1836-V1846 HydrophobicContact CD1-CG2 3.62Å; I1836-V1846 HydrophobicContact CG1-CG2 3.97Å; V1846-W1848 HydrophobicContact CG1-CD2 4.26Å; V1846-W1848 HydrophobicContact CG1-CE3 4.49Å; V1846-W1848 HydrophobicContact CG1-CZ2 4.26Å; V1846-L1873 HydrophobicContact CB-CD2 4.29Å; V1846-L1873 HydrophobicContact CG1-CD2 4.17Å; V1846-L1873 HydrophobicContact CG2-CD2 3.77Å |
| 1847 | D | 76.6 | Confident | 62.6 | Low | 27 Ų | 27 | 57.9 Ų | 57.9 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 109.9 | 170.9 | -167.7 | -31.2 | 0 | 0 | 0 | 109 | Y1845 S1849 Y1872 | Y1845-D1847 HydrophobicContact CE1-CB 4.41Å; D1847-S1849 VanDerWaalsContact C-N 3.29Å; D1847-S1849 WeakPolarHBondContact OD1-CA 3.28Å; D1847-S1849 WeakPolarHBondContact OD1-CB 3.11Å; D1847-S1849 PolarHBondContact OD1-N 3.18Å; D1847-S1849 PolarHBondContact OD1-OG 2.85Å; D1847-S1849 PolarHBondContact OD2-OG 2.97Å; D1847-Y1872 PolarHBondContact N-O 3.15Å |
| 1848 | W | 72.3 | Confident | 60.5 | Low | 5 Ų | 5 | 67.5 Ų | 67.5 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16 | 176.5 | -64.1 | 117 | 0 | 0 | 0 | 112.7 | V1761 F1771 K1812 I1814 F1827 Q1832 V1846 V1851 | V1761-W1848 HydrophobicContact CG1-CZ2 4.35Å; V1761-W1848 HydrophobicContact CG2-CZ2 3.93Å; F1771-W1848 HydrophobicContact CB-CD2 4.2Å; F1771-W1848 HydrophobicContact CB-CE3 4.22Å; F1771-W1848 HydrophobicContact CB-CH2 3.75Å; F1771-W1848 HydrophobicContact CB-CZ2 3.71Å; F1771-W1848 HydrophobicContact CB-CZ3 4Å; K1812-W1848 HydrophobicContact CB-CE3 3.67Å; K1812-W1848 HydrophobicContact CB-CZ3 3.71Å; K1812-W1848 HydrophobicContact CD-CB 4.37Å; K1812-W1848 HydrophobicContact CD-CE3 4.16Å; K1812-W1848 WeakPolarHBondContact CD-O 3.18Å; K1812-W1848 WeakPolarHBondContact CE-O 3.24Å; K1812-W1848 HydrophobicContact CG-CE3 4.42Å; K1812-W1848 PolarHBondContact NZ-O 2.86Å; I1814-W1848 HydrophobicContact CD1-CE3 4.22Å; I1814-W1848 HydrophobicContact CD1-CH2 3.86Å; I1814-W1848 HydrophobicContact CD1-CZ3 3.56Å; I1814-W1848 HydrophobicContact CG1-CH2 4.36Å; I1814-W1848 HydrophobicContact CG1-CZ3 3.94Å; F1827-W1848 AromaticContact CD1-NE1 3.49Å; F1827-W1848 HydrophobicContact CE1-CZ2 4.2Å; F1827-W1848 AromaticContact CE1-NE1 3.23Å; Q1832-W1848 WeakPolarHBondContact O-CA 3.15Å; Q1832-W1848 WeakPolarHBondContact O-CB 3.12Å; Q1832-W1848 PolarHBondContact O-N 2.71Å; V1846-W1848 HydrophobicContact CG1-CD2 4.26Å; V1846-W1848 HydrophobicContact CG1-CE3 4.49Å; V1846-W1848 HydrophobicContact CG1-CZ2 4.26Å; W1848-V1851 HydrophobicContact CE3-CG2 4.44Å |
| 1849 | S | 66.5 | Low | 58.3 | Low | 65 Ų | 65 | 74.1 Ų | 74.1 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -37.1 | -179.4 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | D1847 | D1847-S1849 VanDerWaalsContact C-N 3.29Å; D1847-S1849 WeakPolarHBondContact OD1-CA 3.28Å; D1847-S1849 WeakPolarHBondContact OD1-CB 3.11Å; D1847-S1849 PolarHBondContact OD1-N 3.18Å; D1847-S1849 PolarHBondContact OD1-OG 2.85Å; D1847-S1849 PolarHBondContact OD2-OG 2.97Å |
| 1850 | E | 61.6 | Low | 56.6 | Low | 99 Ų | 99 | 75.8 Ų | 75.8 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.8 | 179.9 | -67.4 | -167.1 | 143 | 0 | 0 | 114.2 | E1852 D1871 Y1872 | E1850-E1852 PolarHBondContact O-N 2.7Å; E1850-D1871 WeakPolarHBondContact OE2-CB 3.47Å; E1850-Y1872 WeakPolarHBondContact OE2-CA 2.85Å; E1850-Y1872 PolarHBondContact OE2-N 3.02Å |
| 1851 | V | 59.1 | Low | 55.3 | Low | 18 Ų | 18 | 80.6 Ų | 80.6 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -72.6 | 115.4 | 173.3 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | K1812 I1814 W1848 E1853 Y1872 | K1812-V1851 HydrophobicContact CB-CG1 4.03Å; K1812-V1851 HydrophobicContact CD-CB 3.91Å; K1812-V1851 HydrophobicContact CD-CG1 3.96Å; K1812-V1851 WeakPolarHBondContact CD-O 3.17Å; K1812-V1851 WeakPolarHBondContact CE-O 3.43Å; K1812-V1851 HydrophobicContact CG-CG1 4.33Å; K1812-V1851 PolarHBondContact NZ-O 3.04Å; I1814-V1851 HydrophobicContact CD1-CG2 4.39Å; W1848-V1851 HydrophobicContact CE3-CG2 4.44Å; V1851-E1853 PolarHBondContact O-N 3.25Å; V1851-Y1872 HydrophobicContact CG2-CD2 3.41Å; V1851-Y1872 VanDerWaalsContact CG2-CD2 3.41Å; V1851-Y1872 HydrophobicContact CG2-CE2 4.1Å; V1851-Y1872 HydrophobicContact CG2-CG 3.7Å |
| 1852 | E | 52.9 | Low | 53.3 | Low | 159 Ų | 159 | 86.1 Ų | 86.1 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -56.3 | 137 | 176.4 | -65.7 | -174.4 | 157.1 | 0 | 0 | 111.4 | E1850 | E1850-E1852 PolarHBondContact O-N 2.7Š| ||
| 1853 | E | 50.5 | Low | 51.2 | Low | 125 Ų | 125 | 92.3 Ų | 92.3 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | trans | -69.3 | 143.6 | 177 | -74.7 | -179.2 | 166.3 | 0 | 0 | 111.5 | I1811 V1851 T1855 | I1811-E1853 HydrophobicContact CG2-CG 4.2Å; V1851-E1853 PolarHBondContact O-N 3.25Å; E1853-T1855 PolarHBondContact O-N 3.13Å | ||
| 1854 | L | 43.8 | Very low | 48.9 | Very low | 98 Ų | 98 | 100.6 Ų | 100.6 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | trans | -70 | 74.8 | 177.1 | -75 | 164.6 | 0 | 0 | 0 | 111.5 | T1856 | L1854-T1856 PolarHBondContact O-N 3.35Š| ||
| 1855 | T | 37.5 | Very low | 46.5 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 70% | 0.699 | 56% | 0.555 | S | S | * | * | trans | -61.5 | 121.5 | 177.4 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | E1853 H1857 | E1853-T1855 PolarHBondContact O-N 3.13Å; T1855-H1857 PolarHBondContact O-N 3.31Å | ||
| 1856 | T | 31.7 | Very low | 44.3 | Very low | 144 Ų | 144 | 108.1 Ų | 108.1 | 88% | 0.883 | 58% | 0.582 | S | S | * | * | trans | -79.6 | 62.3 | -171.1 | 42.3 | 0 | 0 | 0 | 0 | 113.1 | L1854 | L1854-T1856 PolarHBondContact O-N 3.35Š| ||
| 1857 | H | 28.6 | Very low | 42.2 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 70% | 0.704 | 61% | 0.608 | S | S | * | * | trans | -108.8 | 115 | 167.8 | -88.5 | -54.9 | 0 | 0 | 0 | 111.5 | T1855 I1859 | T1855-H1857 PolarHBondContact O-N 3.31Å; H1857-I1859 VanDerWaalsContact C-N 3.31Å; H1857-I1859 HydrophobicContact CB-CD1 4.1Å; H1857-I1859 HydrophobicContact CB-CG1 4.21Å; H1857-I1859 PolarHBondContact O-N 2.71Å | ||
| 1858 | E | 31.8 | Very low | 40 | Very low | 203 Ų | 203 | 119.3 Ų | 119.3 | 95% | 0.949 | 64% | 0.639 | S | S | * | * | trans | -64.2 | 85.7 | 171.1 | -63.8 | -174 | 136 | 0 | 0 | 110.8 | ||||
| 1859 | I | 28.6 | Very low | 38.1 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | trans | -119.8 | 123.9 | 176.5 | -62.1 | 177.4 | 0 | 0 | 0 | 108.7 | H1857 | H1857-I1859 VanDerWaalsContact C-N 3.31Å; H1857-I1859 HydrophobicContact CB-CD1 4.1Å; H1857-I1859 HydrophobicContact CB-CG1 4.21Å; H1857-I1859 PolarHBondContact O-N 2.71Å | ||
| 1860 | S | 29.3 | Very low | 36.9 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -52.3 | 143.2 | -171.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | L1862 | S1860-L1862 PolarHBondContact O-N 3.08Š| ||
| 1861 | P | 35.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 87% | 0.87 | 66% | 0.656 | S | S | * | * | trans | -68 | 98.3 | -173.9 | 28.3 | -35.9 | 0 | 0 | 0 | 112.1 | ||||
| 1862 | L | 27.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 124.7 Ų | 124.7 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | trans | -141.6 | 78.9 | 177.9 | -157.1 | 75.9 | 0 | 0 | 0 | 113.3 | S1860 | S1860-L1862 PolarHBondContact O-N 3.08Š| ||
| 1863 | N | 33.4 | Very low | 36.9 | Very low | 152 Ų | 152 | 118 Ų | 118 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | trans | 34.3 | 90.3 | 147.7 | -61.5 | -19.7 | 0 | 0 | 0 | 118.1 | ||||
| 1864 | H | 27.8 | Very low | 37.7 | Very low | 175 Ų | 175 | 114.9 Ų | 114.9 | 81% | 0.81 | 62% | 0.618 | S | S | * | * | trans | -132.1 | 93.5 | 162.9 | -108.2 | -76.1 | 0 | 0 | 0 | 114 | ||||
| 1865 | S | 27.6 | Very low | 38.7 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | trans | 43.7 | 90.5 | 145.3 | 54.2 | 0 | 0 | 0 | 0 | 119.4 | S1867 | S1865-S1867 PolarHBondContact O-N 2.94Š| ||
| 1866 | L | 32 | Very low | 39.5 | Very low | 130 Ų | 130 | 110.5 Ų | 110.5 | 68% | 0.681 | 59% | 0.59 | S | S | * | * | trans | -73.9 | 109.1 | 164.6 | -68.3 | 80.5 | 0 | 0 | 0 | 111.1 | ||||
| 1867 | S | 31 | Very low | 40.4 | Very low | 79 Ų | 79 | 105 Ų | 105 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | trans | -154.1 | 33 | 167.9 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | N389 S1865 | N389-S1867 WeakPolarHBondContact OD1-CA 3.37Å; S1865-S1867 PolarHBondContact O-N 2.94Å | ||
| 1868 | K | 31.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 101.8 Ų | 101.8 | 80% | 0.8 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -144.6 | -1 | 174.1 | -84.4 | -162.7 | 171.5 | -165.7 | 0 | 114.7 | N389 Q1870 | N389-K1868 VanDerWaalsContact ND2-C 3.29Å; N389-K1868 PolarHBondContact OD1-N 2.82Å; K1868-Q1870 PolarHBondContact O-N 3.33Å |
| 1869 | M | 31.7 | Very low | 41.9 | Very low | 80 Ų | 80 | 95.1 Ų | 95.1 | 39% | 0.394 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 88.7 | -175.2 | -78.5 | -78.6 | -179.1 | 0 | 0 | 111.4 | S388 N389 Y1872 | S388-M1869 PolarHBondContact OG-O 3.42Å; N389-M1869 VanDerWaalsContact ND2-C 3.26Å; N389-M1869 PolarHBondContact ND2-N 3.03Å; N389-M1869 VanDerWaalsContact ND2-N 3.18Å; N389-M1869 PolarHBondContact ND2-O 3.01Å; N389-M1869 PolarHBondContact OD1-N 3.33Å; M1869-Y1872 HydrophobicContact CB-CE1 4.27Å; M1869-Y1872 HydrophobicContact SD-CE1 3.61Å |
| 1870 | Q | 41.8 | Very low | 43.1 | Very low | 61 Ų | 61 | 89.3 Ų | 89.3 | 29% | 0.285 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.5 | -12.8 | 161.7 | -130.3 | 168.9 | -21.9 | 0 | 0 | 119 | S387 S388 N389 K1868 Y1872 | S387-Q1870 PolarHBondContact OG-OE1 3.33Å; S388-Q1870 VanDerWaalsContact OG-CD 3.26Å; S388-Q1870 WeakPolarHBondContact OG-CG 3.3Å; S388-Q1870 PolarHBondContact OG-OE1 3.28Å; N389-Q1870 PolarHBondContact ND2-N 3.02Å; K1868-Q1870 PolarHBondContact O-N 3.33Å; Q1870-Y1872 VanDerWaalsContact C-N 3.32Å; Q1870-Y1872 PolarHBondContact O-N 2.97Å |
| 1871 | D | 50.5 | Low | 44.4 | Very low | 116 Ų | 116 | 94.4 Ų | 94.4 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -33.9 | -172.5 | -56.6 | -52.3 | 0 | 0 | 0 | 111.8 | E1850 L1873 | E1850-D1871 WeakPolarHBondContact OE2-CB 3.47Å; D1871-L1873 VanDerWaalsContact C-N 3.3Å; D1871-L1873 PolarHBondContact O-N 3.35Å; D1871-L1873 VanDerWaalsContact O-N 3.11Å |
| 1872 | Y | 61.7 | Low | 45.5 | Very low | 44 Ų | 44 | 89.7 Ų | 89.7 | 17% | 0.173 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.5 | -175.9 | 69.1 | -89.3 | 0 | 0 | 0 | 118.1 | I1814 D1847 E1850 V1851 M1869 Q1870 | I1814-Y1872 HydrophobicContact CD1-CD2 4.4Å; I1814-Y1872 HydrophobicContact CD1-CE2 4.43Å; I1814-Y1872 HydrophobicContact CG1-CE2 4.4Å; D1847-Y1872 PolarHBondContact N-O 3.15Å; E1850-Y1872 WeakPolarHBondContact OE2-CA 2.85Å; E1850-Y1872 PolarHBondContact OE2-N 3.02Å; V1851-Y1872 HydrophobicContact CG2-CD2 3.41Å; V1851-Y1872 VanDerWaalsContact CG2-CD2 3.41Å; V1851-Y1872 HydrophobicContact CG2-CE2 4.1Å; V1851-Y1872 HydrophobicContact CG2-CG 3.7Å; M1869-Y1872 HydrophobicContact CB-CE1 4.27Å; M1869-Y1872 HydrophobicContact SD-CE1 3.61Å; Q1870-Y1872 VanDerWaalsContact C-N 3.32Å; Q1870-Y1872 PolarHBondContact O-N 2.97Å |
| 1873 | L | 61.3 | Low | 46.8 | Very low | 18 Ų | 18 | 85.5 Ų | 85.5 | 9% | 0.094 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 112.2 | -179.9 | -87.6 | 172.7 | 0 | 0 | 0 | 111.2 | I1814 H1816 F1817 V1846 D1871 | I1814-L1873 HydrophobicContact CD1-CD1 4.42Å; I1814-L1873 HydrophobicContact CD1-CD2 4.42Å; I1814-L1873 HydrophobicContact CD1-CG 4.44Å; I1814-L1873 HydrophobicContact CG2-CD1 3.73Å; H1816-L1873 HydrophobicContact CB-CD1 4.13Å; F1817-L1873 HydrophobicContact CZ-CD1 4.45Å; F1817-L1873 HydrophobicContact CZ-CD2 4.16Å; V1846-L1873 HydrophobicContact CB-CD2 4.29Å; V1846-L1873 HydrophobicContact CG1-CD2 4.17Å; V1846-L1873 HydrophobicContact CG2-CD2 3.77Å; D1871-L1873 VanDerWaalsContact C-N 3.3Å; D1871-L1873 PolarHBondContact O-N 3.35Å; D1871-L1873 VanDerWaalsContact O-N 3.11Å |
| 1874 | T | 67.4 | Low | 48.5 | Very low | 60 Ų | 60 | 78.5 Ų | 78.5 | 37% | 0.368 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.6 | -179.7 | 38.2 | 0 | 0 | 0 | 0 | 112 | Y1845 L1876 | Y1845-T1874 PolarHBondContact N-O 3.13Å; Y1845-T1874 PolarHBondContact O-N 3.37Å; Y1845-T1874 VanDerWaalsContact O-N 3.08Å; T1874-L1876 PolarHBondContact O-N 2.93Å |
| 1875 | L | 64 | Low | 50.3 | Low | 82 Ų | 82 | 73.5 Ų | 73.5 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.7 | 173.1 | 177.1 | 62.4 | 0 | 0 | 0 | 108.7 | N1842 W1844 S1877 | N1842-L1875 HydrophobicContact CB-CD1 4.07Å; W1844-L1875 HydrophobicContact CD2-CB 4.49Å; W1844-L1875 HydrophobicContact CD2-CD1 3.92Å; W1844-L1875 HydrophobicContact CE3-CB 3.89Å; W1844-L1875 HydrophobicContact CE3-CD1 4.17Å; W1844-L1875 HydrophobicContact CH2-CB 4.22Å; W1844-L1875 HydrophobicContact CH2-CD1 4.18Å; W1844-L1875 HydrophobicContact CH2-CD2 4.46Å; W1844-L1875 HydrophobicContact CZ2-CD1 3.93Å; W1844-L1875 HydrophobicContact CZ3-CB 3.75Å; W1844-L1875 HydrophobicContact CZ3-CD1 4.3Å; W1844-L1875 HydrophobicContact CZ3-CG 4.49Å; L1875-S1877 WeakPolarHBondContact CD1-O 3.11Å |
| 1876 | L | 55.1 | Low | 52.1 | Low | 38 Ų | 38 | 69.1 Ų | 69.1 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -34.2 | -179.4 | -66.2 | 174.3 | 0 | 0 | 0 | 112.1 | V1835 L1843 Y1845 T1874 C1932 | V1835-L1876 HydrophobicContact CG2-CD1 4.21Å; L1843-L1876 HydrophobicContact CD2-CB 3.78Å; L1843-L1876 HydrophobicContact CD2-CD1 3.45Å; L1843-L1876 VanDerWaalsContact CD2-CD1 3.45Å; L1843-L1876 HydrophobicContact CD2-CG 4.16Å; L1843-L1876 PolarHBondContact O-N 3.1Å; Y1845-L1876 HydrophobicContact CD2-CD1 4.25Å; T1874-L1876 PolarHBondContact O-N 2.93Å; L1876-C1932 HydrophobicContact CD2-CB 3.49Å; L1876-C1932 VanDerWaalsContact CD2-CB 3.49Å |
| 1877 | S | 49.8 | Very low | 54 | Low | 27 Ų | 27 | 63.9 Ų | 63.9 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 136.4 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | L1843 L1875 | L1843-S1877 PolarHBondContact N-O 3.09Å; L1843-S1877 VanDerWaalsContact N-O 3.11Å; L1843-S1877 PolarHBondContact O-N 2.8Å; L1875-S1877 WeakPolarHBondContact CD1-O 3.11Å |
| 1878 | S | 45.8 | Very low | 56.1 | Low | 85 Ų | 85 | 61.5 Ų | 61.5 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.4 | 171.5 | 58.9 | 0 | 0 | 0 | 0 | 110.4 | N1842 | N1842-S1878 WeakPolarHBondContact OD1-CA 3.33Å; N1842-S1878 WeakPolarHBondContact OD1-CB 2.86Å |
| 1879 | G | 47 | Very low | 58 | Low | 63 Ų | 63 | 54.2 Ų | 54.2 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | trans | 105.7 | 31.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1880 | Y | 52.7 | Low | 59.7 | Low | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.078 | 28% | 0.283 | C | S | . | . | trans | -59.5 | 146 | 153.8 | -74.2 | -106.2 | 0 | 0 | 0 | 108.5 | C1841 L1843 T1882 I1884 T1919 R1925 W1927 | C1841-Y1880 WeakPolarHBondContact CB-O 3.35Å; C1841-Y1880 WeakPolarHBondContact O-CB 3.02Å; C1841-Y1880 PolarHBondContact O-N 3.2Å; L1843-Y1880 HydrophobicContact CB-CE2 4.35Å; Y1880-T1882 VanDerWaalsContact C-N 3.29Å; Y1880-I1884 HydrophobicContact CD1-CD1 4.24Å; Y1880-I1884 HydrophobicContact CD1-CG1 4.38Å; Y1880-I1884 HydrophobicContact CD2-CD1 4.19Å; Y1880-I1884 HydrophobicContact CE1-CD1 3.97Å; Y1880-I1884 HydrophobicContact CE1-CG1 4.35Å; Y1880-I1884 HydrophobicContact CE2-CD1 3.94Å; Y1880-I1884 HydrophobicContact CG-CD1 4.33Å; Y1880-T1919 HydrophobicContact CD1-CG2 3.66Å; Y1880-T1919 HydrophobicContact CE1-CG2 3.74Å; Y1880-R1925 VanDerWaalsContact CE1-NH1 3.31Å; Y1880-R1925 PolarHBondContact OH-NH1 2.8Å; Y1880-W1927 WeakPolarHBondContact OH-CZ2 3.45Å | ||
| 1881 | K | 58.4 | Low | 60.8 | Low | 200 Ų | 200 | 48.6 Ų | 48.6 | 87% | 0.87 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -79.9 | -16 | 176.8 | -67.6 | -175.7 | 179.7 | 178.8 | 0 | 112.9 | ||
| 1882 | T | 57.2 | Low | 61.1 | Low | 35 Ų | 35 | 46.4 Ų | 46.4 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -152.5 | 154.3 | -160.8 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | Y1880 D1921 | Y1880-T1882 VanDerWaalsContact C-N 3.29Å; T1882-D1921 WeakPolarHBondContact CB-OD1 3.42Å; T1882-D1921 VanDerWaalsContact CB-OD2 3.23Å; T1882-D1921 WeakPolarHBondContact CB-OD2 3.2Å; T1882-D1921 WeakPolarHBondContact CG2-OD1 3.15Å; T1882-D1921 WeakPolarHBondContact CG2-OD2 3.44Å; T1882-D1921 VanDerWaalsContact OG1-CG 3.28Å; T1882-D1921 PolarHBondContact OG1-OD1 2.97Å; T1882-D1921 PolarHBondContact OG1-OD2 2.84Å |
| 1883 | P | 55.8 | Low | 60.7 | Low | 51 Ų | 51 | 47.1 Ų | 47.1 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | trans | -70.6 | 158 | -170.8 | 28.6 | -36.6 | 0 | 0 | 0 | 113.6 | L1823 T1919 S1920 | L1823-P1883 HydrophobicContact CD1-CB 3.56Å; P1883-T1919 CarbonylContact O-C 3.56Å; P1883-T1919 WeakPolarHBondContact O-CA 3.06Å; P1883-S1920 WeakPolarHBondContact CD-OG 2.99Å; P1883-S1920 PolarHBondContact O-N 3.03Å; P1883-S1920 PolarHBondContact O-OG 3.1Å | ||
| 1884 | I | 68.9 | Low | 60.5 | Low | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.1 | -178.4 | -56.4 | 176 | 0 | 0 | 0 | 108.6 | S1824 S1837 L1843 Y1880 L1887 T1919 | S1824-I1884 WeakPolarHBondContact CB-O 3.24Å; S1824-I1884 PolarHBondContact OG-O 2.98Å; S1837-I1884 PolarHBondContact OG-O 2.88Å; L1843-I1884 HydrophobicContact CB-CD1 3.96Å; L1843-I1884 HydrophobicContact CD1-CD1 3.48Å; L1843-I1884 VanDerWaalsContact CD1-CD1 3.48Å; L1843-I1884 HydrophobicContact CG-CD1 4.31Å; Y1880-I1884 HydrophobicContact CD1-CD1 4.24Å; Y1880-I1884 HydrophobicContact CD1-CG1 4.38Å; Y1880-I1884 HydrophobicContact CD2-CD1 4.19Å; Y1880-I1884 HydrophobicContact CE1-CD1 3.97Å; Y1880-I1884 HydrophobicContact CE1-CG1 4.35Å; Y1880-I1884 HydrophobicContact CE2-CD1 3.94Å; Y1880-I1884 HydrophobicContact CG-CD1 4.33Å; I1884-L1887 HydrophobicContact CG2-CD2 4.14Å; I1884-L1887 HydrophobicContact CG2-CG 4.43Å; I1884-T1919 HydrophobicContact CG1-CG2 4.38Å |
| 1885 | I | 64.9 | Low | 59.9 | Low | 70 Ų | 70 | 45.8 Ų | 45.8 | 36% | 0.359 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -52.1 | -176.1 | -58 | -174.4 | 0 | 0 | 0 | 110.6 | S1824 C1918 | S1824-I1885 WeakPolarHBondContact CB-O 3.43Å; I1885-C1918 PolarHBondContact N-O 2.84Å |
| 1886 | G | 66.3 | Low | 59.1 | Low | 4 Ų | 4 | 47.7 Ų | 47.7 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1918 | G1886-C1918 PolarHBondContact N-O 3.14Å; G1886-C1918 PolarHBondContact O-N 3.35Å |
| 1887 | L | 72.7 | Confident | 58.6 | Low | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 122.8 | 173.8 | -67.8 | 171.5 | 0 | 0 | 0 | 109.4 | C1826 V1835 L1843 I1884 I1916 T1917 | C1826-L1887 HydrophobicContact CB-CB 3.4Å; C1826-L1887 VanDerWaalsContact CB-CB 3.4Å; C1826-L1887 HydrophobicContact CB-CD1 4.26Å; C1826-L1887 HydrophobicContact CB-CG 4.45Å; V1835-L1887 HydrophobicContact CG1-CD2 4.47Å; L1843-L1887 HydrophobicContact CD1-CD2 4.32Å; I1884-L1887 HydrophobicContact CG2-CD2 4.14Å; I1884-L1887 HydrophobicContact CG2-CG 4.43Å; L1887-I1916 WeakPolarHBondContact CA-O 3.36Å; L1887-T1917 HydrophobicContact CD2-CG2 3.61Å |
| 1888 | I | 73.7 | Confident | 58.3 | Low | 29 Ų | 29 | 51.6 Ų | 51.6 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.8 | 174.3 | -81.2 | -172.5 | 0 | 0 | 0 | 110.4 | I1916 L1954 L1991 | I1888-I1916 HydrophobicContact CB-CB 4.32Å; I1888-I1916 HydrophobicContact CG2-CD1 4.18Å; I1888-I1916 HydrophobicContact CG2-CG1 4.42Å; I1888-I1916 PolarHBondContact N-O 2.93Å; I1888-I1916 PolarHBondContact O-N 3.47Å; I1888-L1954 HydrophobicContact CD1-CB 4.29Å; I1888-L1954 HydrophobicContact CD1-CD1 3.72Å; I1888-L1954 HydrophobicContact CD1-CG 3.68Å; I1888-L1954 WeakPolarHBondContact CD1-O 3.15Å; I1888-L1954 HydrophobicContact CG1-CD1 3.93Å; I1888-L1954 HydrophobicContact CG1-CG 4.1Å; I1888-L1991 HydrophobicContact CD1-CD1 4.26Å |
| 1889 | W | 71 | Confident | 58.1 | Low | 31 Ų | 31 | 50.1 Ų | 50.1 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.8 | 169.4 | -157.2 | -62.9 | 0 | 0 | 0 | 109.8 | D1828 I1833 D1913 L1915 P1929 | D1828-W1889 HydrophobicContact CB-CD2 4Å; D1828-W1889 HydrophobicContact CB-CE3 4.1Å; D1828-W1889 HydrophobicContact CB-CH2 3.88Å; D1828-W1889 HydrophobicContact CB-CZ2 3.75Å; D1828-W1889 HydrophobicContact CB-CZ3 4.04Å; I1833-W1889 HydrophobicContact CB-CH2 4.03Å; I1833-W1889 HydrophobicContact CG2-CH2 3.87Å; I1833-W1889 HydrophobicContact CG2-CZ3 4.45Å; W1889-D1913 PolarHBondContact NE1-OD2 3.08Å; W1889-L1915 HydrophobicContact CD2-CD1 4.38Å; W1889-L1915 HydrophobicContact CE3-CD1 3.86Å; W1889-L1915 HydrophobicContact CZ3-CD1 4.43Å; W1889-P1929 HydrophobicContact CH2-CB 4.08Å; W1889-P1929 HydrophobicContact CZ2-CB 3.91Å; W1889-P1929 HydrophobicContact CZ2-CG 4.04Å |
| 1890 | W | 67.9 | Low | 57.8 | Low | 15 Ų | 15 | 54.3 Ų | 54.3 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 107.7 | 179.1 | -177.6 | 25.8 | 0 | 0 | 0 | 110.6 | Q1895 I1914 L1956 L2005 | W1890-Q1895 HydrophobicContact CD2-CG 4.13Å; W1890-Q1895 HydrophobicContact CH2-CG 4.44Å; W1890-Q1895 HydrophobicContact CZ2-CG 3.83Å; W1890-I1914 WeakPolarHBondContact CA-O 3.05Å; W1890-I1914 WeakPolarHBondContact CB-O 3.12Å; W1890-I1914 HydrophobicContact CE3-CB 4.25Å; W1890-I1914 HydrophobicContact CE3-CD1 4.06Å; W1890-I1914 HydrophobicContact CZ3-CD1 4.12Å; W1890-I1914 PolarHBondContact N-O 2.72Å; W1890-I1914 PolarHBondContact O-N 2.69Å; W1890-L1956 HydrophobicContact CG-CD1 4.4Å; W1890-L1956 HydrophobicContact CG-CD2 4.04Å; W1890-L2005 HydrophobicContact CD2-CD1 4.07Å; W1890-L2005 HydrophobicContact CE3-CB 4.47Å; W1890-L2005 HydrophobicContact CE3-CD1 3.7Å; W1890-L2005 HydrophobicContact CH2-CB 3.95Å; W1890-L2005 HydrophobicContact CH2-CD1 3.97Å; W1890-L2005 HydrophobicContact CZ2-CD1 4.31Å; W1890-L2005 HydrophobicContact CZ3-CB 3.68Å; W1890-L2005 HydrophobicContact CZ3-CD1 3.66Å; W1890-L2005 HydrophobicContact CZ3-CG 4.3Å |
| 1891 | T | 64.1 | Low | 57.3 | Low | 8 Ų | 8 | 60.2 Ų | 60.2 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | trans | -86.1 | 151.8 | -169.2 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | I1829 S1893 Q1894 Q1895 D1913 | I1829-T1891 HydrophobicContact CD1-CG2 3.56Å; I1829-T1891 HydrophobicContact CG1-CG2 3.97Å; T1891-S1893 PolarHBondContact O-N 3.43Å; T1891-S1893 PolarHBondContact OG1-OG 2.88Å; T1891-Q1894 WeakPolarHBondContact O-CB 3.31Å; T1891-Q1894 PolarHBondContact O-N 3.34Å; T1891-Q1894 PolarHBondContact OG1-OE1 3.22Å; T1891-Q1895 PolarHBondContact O-N 3.36Å; T1891-Q1895 VanDerWaalsContact O-N 3.07Å; T1891-D1913 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 1892 | K | 58.6 | Low | 56.3 | Low | 70 Ų | 70 | 56.1 Ų | 56.1 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -52.8 | -34.5 | 173 | -170.9 | 169.3 | -173.1 | 151.2 | 0 | 112.8 | Q1895 Q1896 S1909 M1911 D1913 | K1892-Q1895 PolarHBondContact O-N 2.73Å; K1892-Q1896 HydrophobicContact CG-CG 4.48Å; K1892-Q1896 WeakPolarHBondContact O-CB 3.5Å; K1892-Q1896 WeakPolarHBondContact O-CG 3.27Å; K1892-Q1896 PolarHBondContact O-N 3.49Å; K1892-S1909 PolarHBondContact NZ-O 3.34Å; K1892-M1911 VanDerWaalsContact CD-O 3.24Å; K1892-M1911 WeakPolarHBondContact CD-O 3.29Å; K1892-M1911 WeakPolarHBondContact CE-O 3.23Å; K1892-M1911 PolarHBondContact NZ-O 3.39Å; K1892-D1913 WeakPolarHBondContact CB-OD1 3.36Å; K1892-D1913 PolarHBondContact N-OD1 3.4Å |
| 1893 | S | 52.4 | Low | 55.3 | Low | 59 Ų | 59 | 61.9 Ų | 61.9 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 172.6 | 28.1 | 0 | 0 | 0 | 0 | 113.6 | T1891 | T1891-S1893 PolarHBondContact O-N 3.43Å; T1891-S1893 PolarHBondContact OG1-OG 2.88Å |
| 1894 | Q | 56.8 | Low | 54.7 | Low | 42 Ų | 42 | 66.6 Ų | 66.6 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71 | -34.1 | 174.4 | -69.7 | 158.6 | -59 | 0 | 0 | 111.2 | T1891 F1898 D1958 | T1891-Q1894 WeakPolarHBondContact O-CB 3.31Å; T1891-Q1894 PolarHBondContact O-N 3.34Å; T1891-Q1894 PolarHBondContact OG1-OE1 3.22Å; Q1894-F1898 WeakPolarHBondContact O-CD2 3.48Å; Q1894-F1898 VanDerWaalsContact O-CE2 3.31Å; Q1894-F1898 WeakPolarHBondContact O-CE2 3.5Å; Q1894-D1958 PolarHBondContact NE2-OD1 3.05Å |
| 1895 | Q | 54.4 | Low | 53.3 | Low | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 177.3 | -62.6 | 173.5 | 28.7 | 0 | 0 | 113.1 | W1890 T1891 K1892 L1897 N1912 | W1890-Q1895 HydrophobicContact CD2-CG 4.13Å; W1890-Q1895 HydrophobicContact CH2-CG 4.44Å; W1890-Q1895 HydrophobicContact CZ2-CG 3.83Å; T1891-Q1895 PolarHBondContact O-N 3.36Å; T1891-Q1895 VanDerWaalsContact O-N 3.07Å; K1892-Q1895 PolarHBondContact O-N 2.73Å; Q1895-L1897 PolarHBondContact O-N 2.89Å; Q1895-N1912 PolarHBondContact NE2-O 3.17Å; Q1895-N1912 PolarHBondContact OE1-O 2.77Å |
| 1896 | Q | 47.8 | Very low | 52.1 | Low | 122 Ų | 122 | 74.7 Ų | 74.7 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.6 | -31.9 | -174.1 | -81.4 | -176.3 | -49.2 | 0 | 0 | 114 | K1892 F1898 N1899 | K1892-Q1896 HydrophobicContact CG-CG 4.48Å; K1892-Q1896 WeakPolarHBondContact O-CB 3.5Å; K1892-Q1896 WeakPolarHBondContact O-CG 3.27Å; K1892-Q1896 PolarHBondContact O-N 3.49Å; Q1896-F1898 PolarHBondContact O-N 2.77Å; Q1896-N1899 PolarHBondContact O-N 2.91Å; Q1896-N1899 VanDerWaalsContact O-N 3.13Å |
| 1897 | L | 45.3 | Very low | 51 | Low | 102 Ų | 102 | 81 Ų | 81 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -17.4 | -179.3 | -75.3 | 166.6 | 0 | 0 | 0 | 114.7 | Q1895 P1960 | Q1895-L1897 PolarHBondContact O-N 2.89Å; L1897-P1960 WeakPolarHBondContact O-CB 3.46Å |
| 1898 | F | 43.2 | Very low | 49.2 | Very low | 44 Ų | 44 | 85.1 Ų | 85.1 | 19% | 0.193 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -14.3 | -177.3 | -66.2 | -102.3 | 0 | 0 | 0 | 114.7 | Q1894 Q1896 Y1959 P1960 P1988 | Q1894-F1898 WeakPolarHBondContact O-CD2 3.48Å; Q1894-F1898 VanDerWaalsContact O-CE2 3.31Å; Q1894-F1898 WeakPolarHBondContact O-CE2 3.5Å; Q1896-F1898 PolarHBondContact O-N 2.77Å; F1898-Y1959 WeakPolarHBondContact CZ-O 3.4Å; F1898-P1960 HydrophobicContact CD1-CB 4.22Å; F1898-P1960 HydrophobicContact CE1-CB 4.46Å; F1898-P1960 HydrophobicContact CG-CB 4.35Å; F1898-P1988 HydrophobicContact CB-CB 3.54Å; F1898-P1988 HydrophobicContact CB-CG 4.49Å; F1898-P1988 HydrophobicContact CD1-CB 3.61Å; F1898-P1988 HydrophobicContact CD2-CB 4.11Å; F1898-P1988 HydrophobicContact CE1-CB 4.32Å; F1898-P1988 HydrophobicContact CG-CB 3.49Å; F1898-P1988 VanDerWaalsContact CG-CB 3.49Å |
| 1899 | N | 42.1 | Very low | 47.6 | Very low | 55 Ų | 55 | 87.5 Ų | 87.5 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | trans | -121 | 2.8 | -157 | -81.9 | -8.8 | 0 | 0 | 0 | 117.2 | Q1896 N1901 F1902 | Q1896-N1899 PolarHBondContact O-N 2.91Å; Q1896-N1899 VanDerWaalsContact O-N 3.13Å; N1899-N1901 PolarHBondContact O-N 3.47Å; N1899-F1902 PolarHBondContact O-N 3.38Å | ||
| 1900 | E | 39.3 | Very low | 46.3 | Very low | 151 Ų | 151 | 93.4 Ų | 93.4 | 71% | 0.706 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.8 | -167.4 | -64.2 | -153.3 | 132 | 0 | 0 | 116.3 | F1902 | E1900-F1902 PolarHBondContact O-N 3.41Å; E1900-F1902 VanDerWaalsContact O-N 3.15Å |
| 1901 | N | 42.1 | Very low | 45.4 | Very low | 144 Ų | 144 | 96.1 Ų | 96.1 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 9.7 | -179.4 | -75.4 | 13.7 | 0 | 0 | 0 | 115.2 | N1899 | N1899-N1901 PolarHBondContact O-N 3.47Š|
| 1902 | F | 37.2 | Very low | 45.2 | Very low | 113 Ų | 113 | 97.7 Ų | 97.7 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | trans | -116.1 | 45.1 | 174.7 | -74.8 | -74 | 0 | 0 | 0 | 112.9 | N1899 E1900 D1904 | N1899-F1902 PolarHBondContact O-N 3.38Å; E1900-F1902 PolarHBondContact O-N 3.41Å; E1900-F1902 VanDerWaalsContact O-N 3.15Å; F1902-D1904 VanDerWaalsContact C-N 3.27Å; F1902-D1904 PolarHBondContact O-N 2.72Å | ||
| 1903 | L | 37.1 | Very low | 45.6 | Very low | 156 Ų | 156 | 96.1 Ų | 96.1 | 82% | 0.817 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | -173.8 | -98.4 | 158.5 | 0 | 0 | 0 | 116.4 | ||
| 1904 | D | 43.8 | Very low | 46.6 | Very low | 150 Ų | 150 | 94.7 Ų | 94.7 | 80% | 0.802 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.2 | -172.6 | -67.1 | -38.9 | 0 | 0 | 0 | 115.5 | F1902 | F1902-D1904 VanDerWaalsContact C-N 3.27Å; F1902-D1904 PolarHBondContact O-N 2.72Å |
| 1905 | N | 37.7 | Very low | 47.5 | Very low | 101 Ų | 101 | 92.8 Ų | 92.8 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | trans | -109.7 | 100.9 | -177.9 | -76.9 | -40.8 | 0 | 0 | 0 | 112.3 | D1907 | N1905-D1907 PolarHBondContact O-N 2.76Š| ||
| 1906 | N | 41.2 | Very low | 48.5 | Very low | 143 Ų | 143 | 92.5 Ų | 92.5 | 77% | 0.765 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -64.3 | -11.2 | -171.1 | -77.8 | -71.2 | 0 | 0 | 0 | 116.6 | F1908 | N1906-F1908 PolarHBondContact O-N 3.08Š|
| 1907 | D | 41.8 | Very low | 49.9 | Very low | 138 Ų | 138 | 86.7 Ų | 86.7 | 74% | 0.738 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -66.7 | -20 | -172.2 | -64.5 | -20.8 | 0 | 0 | 0 | 114.1 | N1905 S1909 | N1905-D1907 PolarHBondContact O-N 2.76Å; D1907-S1909 VanDerWaalsContact C-N 3.27Å; D1907-S1909 PolarHBondContact O-N 2.87Å |
| 1908 | F | 35.7 | Very low | 51.2 | Low | 107 Ų | 107 | 81.9 Ų | 81.9 | 47% | 0.469 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -79.7 | 5.5 | -176.8 | -72.2 | -73.3 | 0 | 0 | 0 | 115.5 | N1906 H1910 | N1906-F1908 PolarHBondContact O-N 3.08Å; F1908-H1910 PolarHBondContact O-N 2.82Å; F1908-H1910 VanDerWaalsContact O-N 3.13Å |
| 1909 | S | 40.5 | Very low | 52.6 | Low | 78 Ų | 78 | 80 Ų | 80 | 55% | 0.545 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -64.7 | -16.2 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | K1892 D1907 | K1892-S1909 PolarHBondContact NZ-O 3.34Å; D1907-S1909 VanDerWaalsContact C-N 3.27Å; D1907-S1909 PolarHBondContact O-N 2.87Å |
| 1910 | H | 44.3 | Very low | 53.5 | Low | 155 Ų | 155 | 78.3 Ų | 78.3 | 72% | 0.718 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -94 | 15.9 | -172.8 | -62.5 | -65.5 | 0 | 0 | 0 | 116.4 | F1908 N1912 | F1908-H1910 PolarHBondContact O-N 2.82Å; F1908-H1910 VanDerWaalsContact O-N 3.13Å; H1910-N1912 PolarHBondContact O-N 3.25Å; H1910-N1912 PolarHBondContact O-OD1 3.33Å |
| 1911 | M | 48.1 | Very low | 54.5 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | trans | -67.9 | 127.1 | 173 | -60 | -64.8 | -83.4 | 0 | 0 | 110.4 | K1892 | K1892-M1911 VanDerWaalsContact CD-O 3.24Å; K1892-M1911 WeakPolarHBondContact CD-O 3.29Å; K1892-M1911 WeakPolarHBondContact CE-O 3.23Å; K1892-M1911 PolarHBondContact NZ-O 3.39Å | ||
| 1912 | N | 60 | Low | 55.4 | Low | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | trans | -104.6 | 163.1 | 178.8 | -85 | 31.5 | 0 | 0 | 0 | 111.4 | Q1895 H1910 N1928 E1930 | Q1895-N1912 PolarHBondContact NE2-O 3.17Å; Q1895-N1912 PolarHBondContact OE1-O 2.77Å; H1910-N1912 PolarHBondContact O-N 3.25Å; H1910-N1912 PolarHBondContact O-OD1 3.33Å; N1912-N1928 PolarHBondContact ND2-ND2 2.79Å; N1912-N1928 PolarHBondContact ND2-OD1 2.92Å; N1912-E1930 PolarHBondContact ND2-OE2 3.11Å | ||
| 1913 | D | 66.4 | Low | 57.1 | Low | 37 Ų | 37 | 61.3 Ų | 61.3 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | trans | -58.2 | 153.5 | 161.7 | -87.4 | 28 | 0 | 0 | 0 | 111 | W1889 T1891 K1892 P1929 | W1889-D1913 PolarHBondContact NE1-OD2 3.08Å; T1891-D1913 WeakPolarHBondContact CA-OD1 3.28Å; K1892-D1913 WeakPolarHBondContact CB-OD1 3.36Å; K1892-D1913 PolarHBondContact N-OD1 3.4Å; D1913-P1929 HydrophobicContact CB-CG 3.87Å; D1913-P1929 WeakPolarHBondContact O-CD 3.44Å | ||
| 1914 | I | 73.4 | Confident | 58.8 | Low | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 126.8 | -179.6 | -60.2 | 176.7 | 0 | 0 | 0 | 109.6 | W1890 L1926 I1935 | W1890-I1914 WeakPolarHBondContact CA-O 3.05Å; W1890-I1914 WeakPolarHBondContact CB-O 3.12Å; W1890-I1914 HydrophobicContact CE3-CB 4.25Å; W1890-I1914 HydrophobicContact CE3-CD1 4.06Å; W1890-I1914 HydrophobicContact CZ3-CD1 4.12Å; W1890-I1914 PolarHBondContact N-O 2.72Å; W1890-I1914 PolarHBondContact O-N 2.69Å; I1914-L1926 HydrophobicContact CG2-CB 4.12Å; I1914-L1926 HydrophobicContact CG2-CD1 4.32Å; I1914-L1926 HydrophobicContact CG2-CD2 3.92Å; I1914-L1926 HydrophobicContact CG2-CG 4.35Å; I1914-I1935 HydrophobicContact CD1-CD1 4.39Å; I1914-I1935 HydrophobicContact CG1-CD1 4.08Å; I1914-I1935 HydrophobicContact CG2-CD1 4.13Å |
| 1915 | L | 76 | Confident | 60.5 | Low | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.2 | 172.1 | -177.9 | 88.6 | 0 | 0 | 0 | 109.9 | V1835 W1889 T1917 L1926 W1927 | V1835-L1915 HydrophobicContact CB-CD2 3.98Å; V1835-L1915 HydrophobicContact CG1-CD2 4.01Å; V1835-L1915 HydrophobicContact CG2-CD2 3.71Å; W1889-L1915 HydrophobicContact CD2-CD1 4.38Å; W1889-L1915 HydrophobicContact CE3-CD1 3.86Å; W1889-L1915 HydrophobicContact CZ3-CD1 4.43Å; L1915-T1917 HydrophobicContact CD2-CG2 3.98Å; L1915-T1917 HydrophobicContact CG-CG2 4.45Å; L1915-L1926 CarbonylContact O-C 3.13Å; L1915-L1926 WeakPolarHBondContact O-CA 3.44Å; L1915-W1927 HydrophobicContact CB-CB 4.27Å; L1915-W1927 HydrophobicContact CD2-CB 4.41Å; L1915-W1927 PolarHBondContact N-O 3.37Å; L1915-W1927 PolarHBondContact O-N 2.67Å |
| 1916 | I | 76.3 | Confident | 62.3 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119 | 180 | -45.7 | -175.4 | 0 | 0 | 0 | 108.5 | L1887 I1888 I1924 L1926 L1991 L2005 | L1887-I1916 WeakPolarHBondContact CA-O 3.36Å; I1888-I1916 HydrophobicContact CB-CB 4.32Å; I1888-I1916 HydrophobicContact CG2-CD1 4.18Å; I1888-I1916 HydrophobicContact CG2-CG1 4.42Å; I1888-I1916 PolarHBondContact N-O 2.93Å; I1888-I1916 PolarHBondContact O-N 3.47Å; I1916-I1924 HydrophobicContact CG2-CG2 3.83Å; I1916-L1926 HydrophobicContact CB-CD2 4.32Å; I1916-L1926 HydrophobicContact CD1-CD2 4.3Å; I1916-L1926 HydrophobicContact CG1-CD2 3.77Å; I1916-L1926 HydrophobicContact CG2-CD2 4.14Å; I1916-L1991 HydrophobicContact CD1-CD2 4.41Å; I1916-L1991 HydrophobicContact CG2-CD2 4.35Å; I1916-L2005 HydrophobicContact CD1-CD1 4.05Å; I1916-L2005 HydrophobicContact CD1-CD2 3.91Å |
| 1917 | T | 77.4 | Confident | 63.9 | Low | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.4 | 176.1 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | L1843 L1887 L1915 R1925 W1927 | L1843-T1917 HydrophobicContact CD1-CG2 3.83Å; L1887-T1917 HydrophobicContact CD2-CG2 3.61Å; L1915-T1917 HydrophobicContact CD2-CG2 3.98Å; L1915-T1917 HydrophobicContact CG-CG2 4.45Å; T1917-R1925 PolarHBondContact N-O 3.1Å; T1917-R1925 PolarHBondContact O-N 3.13Å; T1917-R1925 WeakPolarHBondContact OG1-CB 3.5Å; T1917-R1925 PolarHBondContact OG1-O 3.11Å; T1917-W1927 PolarHBondContact OG1-NE1 3.01Å; T1917-W1927 VanDerWaalsContact OG1-NE1 3.08Å |
| 1918 | C | 71.4 | Confident | 65.4 | Low | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.7 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 112 | I1885 G1886 G1922 N1923 | I1885-C1918 PolarHBondContact N-O 2.84Å; G1886-C1918 PolarHBondContact N-O 3.14Å; G1886-C1918 PolarHBondContact O-N 3.35Å; C1918-G1922 PolarHBondContact SG-O 2.83Å; C1918-N1923 WeakPolarHBondContact CA-O 3.08Å |
| 1919 | T | 72.9 | Confident | 66.7 | Low | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 163.7 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | Y1880 P1883 I1884 D1921 G1922 N1923 | Y1880-T1919 HydrophobicContact CD1-CG2 3.66Å; Y1880-T1919 HydrophobicContact CE1-CG2 3.74Å; P1883-T1919 CarbonylContact O-C 3.56Å; P1883-T1919 WeakPolarHBondContact O-CA 3.06Å; I1884-T1919 HydrophobicContact CG1-CG2 4.38Å; T1919-D1921 PolarHBondContact O-N 3.05Å; T1919-D1921 VanDerWaalsContact O-N 3.09Å; T1919-G1922 PolarHBondContact O-N 2.79Å; T1919-N1923 PolarHBondContact N-O 2.99Å; T1919-N1923 VanDerWaalsContact N-O 3.17Å; T1919-N1923 WeakPolarHBondContact OG1-CB 3.45Å; T1919-N1923 PolarHBondContact OG1-N 3.45Å; T1919-N1923 PolarHBondContact OG1-ND2 2.92Å |
| 1920 | S | 60.4 | Low | 67.8 | Low | 21 Ų | 21 | 31.3 Ų | 31.3 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -31.2 | 168 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | P1883 G1922 | P1883-S1920 WeakPolarHBondContact CD-OG 2.99Å; P1883-S1920 PolarHBondContact O-N 3.03Å; P1883-S1920 PolarHBondContact O-OG 3.1Å; S1920-G1922 PolarHBondContact O-N 3.4Å |
| 1921 | D | 60.7 | Low | 68.9 | Low | 32 Ų | 32 | 27.2 Ų | 27.2 | 17% | 0.171 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 27.4 | -177.7 | -27.3 | -23.2 | 0 | 0 | 0 | 110.9 | T1882 T1919 N1923 T1940 N1941 | T1882-D1921 WeakPolarHBondContact CB-OD1 3.42Å; T1882-D1921 VanDerWaalsContact CB-OD2 3.23Å; T1882-D1921 WeakPolarHBondContact CB-OD2 3.2Å; T1882-D1921 WeakPolarHBondContact CG2-OD1 3.15Å; T1882-D1921 WeakPolarHBondContact CG2-OD2 3.44Å; T1882-D1921 VanDerWaalsContact OG1-CG 3.28Å; T1882-D1921 PolarHBondContact OG1-OD1 2.97Å; T1882-D1921 PolarHBondContact OG1-OD2 2.84Å; T1919-D1921 PolarHBondContact O-N 3.05Å; T1919-D1921 VanDerWaalsContact O-N 3.09Å; D1921-N1923 PolarHBondContact O-N 2.66Å; D1921-N1923 PolarHBondContact O-ND2 3.12Å; D1921-T1940 PolarHBondContact O-OG1 3.05Å; D1921-T1940 VanDerWaalsContact O-OG1 3.08Å; D1921-N1941 WeakPolarHBondContact CB-ND2 3.2Å; D1921-N1941 VanDerWaalsContact O-CG 3.27Å; D1921-N1941 PolarHBondContact O-ND2 2.87Å; D1921-N1941 PolarHBondContact O-OD1 2.79Å |
| 1922 | G | 61 | Low | 69.6 | Low | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | 75.4 | -24.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | C1918 T1919 S1920 I1924 T1940 | C1918-G1922 PolarHBondContact SG-O 2.83Å; T1919-G1922 PolarHBondContact O-N 2.79Å; S1920-G1922 PolarHBondContact O-N 3.4Å; G1922-I1924 WeakPolarHBondContact O-CG1 3.33Å; G1922-I1924 PolarHBondContact O-N 3.35Å; G1922-T1940 WeakPolarHBondContact CA-OG1 3.09Å; G1922-T1940 WeakPolarHBondContact O-CG2 3.47Å | ||
| 1923 | N | 73.5 | Confident | 69.9 | Low | 18 Ų | 18 | 30.3 Ų | 30.3 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | trans | -53.4 | 123.7 | -168.8 | -51 | -77.5 | 0 | 0 | 0 | 111.6 | C1918 T1919 D1921 K1939 T1940 | C1918-N1923 WeakPolarHBondContact CA-O 3.08Å; T1919-N1923 PolarHBondContact N-O 2.99Å; T1919-N1923 VanDerWaalsContact N-O 3.17Å; T1919-N1923 WeakPolarHBondContact OG1-CB 3.45Å; T1919-N1923 PolarHBondContact OG1-N 3.45Å; T1919-N1923 PolarHBondContact OG1-ND2 2.92Å; D1921-N1923 PolarHBondContact O-N 2.66Å; D1921-N1923 PolarHBondContact O-ND2 3.12Å; N1923-K1939 WeakPolarHBondContact OD1-CA 3.04Å; N1923-T1940 WeakPolarHBondContact CA-OG1 3.43Å; N1923-T1940 PolarHBondContact N-OG1 3.07Å | ||
| 1924 | I | 73.1 | Confident | 70 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.6 | -178.1 | -49.8 | 177.7 | 0 | 0 | 0 | 107.8 | I1916 G1922 L1938 T1940 I1993 F2003 | I1916-I1924 HydrophobicContact CG2-CG2 3.83Å; G1922-I1924 WeakPolarHBondContact O-CG1 3.33Å; G1922-I1924 PolarHBondContact O-N 3.35Å; I1924-L1938 HydrophobicContact CB-CB 4.43Å; I1924-L1938 HydrophobicContact CD1-CD2 4.43Å; I1924-L1938 PolarHBondContact N-O 3.05Å; I1924-L1938 PolarHBondContact O-N 2.85Å; I1924-T1940 HydrophobicContact CG1-CG2 4.43Å; I1924-I1993 HydrophobicContact CD1-CD1 3.58Å; I1924-I1993 HydrophobicContact CG1-CD1 4.34Å; I1924-F2003 HydrophobicContact CD1-CD1 4.44Å; I1924-F2003 HydrophobicContact CD1-CD2 4.29Å; I1924-F2003 HydrophobicContact CD1-CE1 4.41Å; I1924-F2003 HydrophobicContact CD1-CE2 4.24Å; I1924-F2003 HydrophobicContact CD1-CG 4.39Å; I1924-F2003 HydrophobicContact CD1-CZ 4.3Å |
| 1925 | R | 78.6 | Confident | 69.7 | Low | 47 Ų | 47 | 35 Ų | 35 | 18% | 0.177 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130 | 174.4 | -67 | 177.1 | 178.2 | -172 | -10.3 | 110.1 | Y1880 T1917 W1927 L1934 S1936 E1937 | Y1880-R1925 VanDerWaalsContact CE1-NH1 3.31Å; Y1880-R1925 PolarHBondContact OH-NH1 2.8Å; T1917-R1925 PolarHBondContact N-O 3.1Å; T1917-R1925 PolarHBondContact O-N 3.13Å; T1917-R1925 WeakPolarHBondContact OG1-CB 3.5Å; T1917-R1925 PolarHBondContact OG1-O 3.11Å; R1925-W1927 HydrophobicContact CB-CZ2 4.46Å; R1925-L1934 HydrophobicContact CB-CD1 3.68Å; R1925-L1934 HydrophobicContact CG-CD1 3.94Å; R1925-S1936 WeakPolarHBondContact CA-O 3.38Å; R1925-E1937 HydrophobicContact CG-CB 3.96Å; R1925-E1937 HydrophobicContact CG-CG 3.87Å; R1925-E1937 IonicContact CZ-OE1 2.71Å; R1925-E1937 IonicContact CZ-OE2 2.83Å; R1925-E1937 IonicContact NE-OE1 3.04Å; R1925-E1937 PolarHBondContact NE-OE1 3.16Å; R1925-E1937 IonicContact NE-OE2 3.45Å; R1925-E1937 VanDerWaalsContact NH2-CD 3.29Å; R1925-E1937 IonicContact NH2-OE1 3.77Å; R1925-E1937 PolarHBondContact NH2-OE1 3.01Å; R1925-E1937 IonicContact NH2-OE2 3.48Å; R1925-E1937 PolarHBondContact NH2-OE2 3.5Å |
| 1926 | L | 76.7 | Confident | 69.3 | Low | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.3 | 171.3 | -64.4 | -169.9 | 0 | 0 | 0 | 109.9 | I1914 L1915 I1916 I1935 S1936 M2008 | I1914-L1926 HydrophobicContact CG2-CB 4.12Å; I1914-L1926 HydrophobicContact CG2-CD1 4.32Å; I1914-L1926 HydrophobicContact CG2-CD2 3.92Å; I1914-L1926 HydrophobicContact CG2-CG 4.35Å; L1915-L1926 CarbonylContact O-C 3.13Å; L1915-L1926 WeakPolarHBondContact O-CA 3.44Å; I1916-L1926 HydrophobicContact CB-CD2 4.32Å; I1916-L1926 HydrophobicContact CD1-CD2 4.3Å; I1916-L1926 HydrophobicContact CG1-CD2 3.77Å; I1916-L1926 HydrophobicContact CG2-CD2 4.14Å; L1926-I1935 HydrophobicContact CB-CB 4.04Å; L1926-I1935 HydrophobicContact CB-CD1 4.44Å; L1926-I1935 PolarHBondContact O-N 2.69Å; L1926-S1936 PolarHBondContact N-O 3.27Å; L1926-S1936 PolarHBondContact O-N 2.65Å; L1926-M2008 HydrophobicContact CD1-CE 3.83Å; L1926-M2008 HydrophobicContact CD1-SD 4.41Å; L1926-M2008 HydrophobicContact CD2-CE 4.04Å; L1926-M2008 HydrophobicContact CG-CE 3.81Å; L1926-M2008 HydrophobicContact CG-SD 4.26Å |
| 1927 | W | 73.7 | Confident | 69.2 | Low | 18 Ų | 18 | 39.8 Ų | 39.8 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.3 | 178.6 | -56.7 | 79.6 | 0 | 0 | 0 | 110.3 | Y1880 L1915 T1917 R1925 P1929 Q1933 L1934 | Y1880-W1927 WeakPolarHBondContact OH-CZ2 3.45Å; L1915-W1927 HydrophobicContact CB-CB 4.27Å; L1915-W1927 HydrophobicContact CD2-CB 4.41Å; L1915-W1927 PolarHBondContact N-O 3.37Å; L1915-W1927 PolarHBondContact O-N 2.67Å; T1917-W1927 PolarHBondContact OG1-NE1 3.01Å; T1917-W1927 VanDerWaalsContact OG1-NE1 3.08Å; R1925-W1927 HydrophobicContact CB-CZ2 4.46Å; W1927-P1929 WeakPolarHBondContact O-CD 3.29Å; W1927-Q1933 WeakPolarHBondContact CA-O 3.31Å; W1927-L1934 HydrophobicContact CD2-CD1 4.28Å; W1927-L1934 HydrophobicContact CE3-CB 4.11Å; W1927-L1934 HydrophobicContact CH2-CB 4.16Å; W1927-L1934 HydrophobicContact CH2-CD1 4.28Å; W1927-L1934 HydrophobicContact CZ2-CD1 3.88Å; W1927-L1934 HydrophobicContact CZ3-CB 3.92Å |
| 1928 | N | 73.2 | Confident | 68.5 | Low | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.4 | 168.1 | -178.4 | -21.8 | 0 | 0 | 0 | 107.6 | N1912 E1930 T1931 C1932 Q1933 I1935 | N1912-N1928 PolarHBondContact ND2-ND2 2.79Å; N1912-N1928 PolarHBondContact ND2-OD1 2.92Å; N1928-E1930 PolarHBondContact O-N 2.9Å; N1928-E1930 WeakPolarHBondContact OD1-CB 3.28Å; N1928-E1930 PolarHBondContact OD1-N 3.08Å; N1928-T1931 WeakPolarHBondContact CB-OG1 3.25Å; N1928-T1931 VanDerWaalsContact CG-OG1 3.32Å; N1928-T1931 PolarHBondContact ND2-OG1 2.69Å; N1928-T1931 PolarHBondContact O-N 3.28Å; N1928-T1931 PolarHBondContact OD1-N 2.93Å; N1928-C1932 WeakPolarHBondContact O-CA 3.49Å; N1928-C1932 PolarHBondContact O-N 2.87Å; N1928-Q1933 PolarHBondContact N-O 2.93Å; N1928-I1935 HydrophobicContact CB-CD1 3.95Å; N1928-I1935 HydrophobicContact CB-CG1 3.99Å |
| 1929 | P | 63.5 | Low | 68 | Low | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.3 | -176.2 | 31.6 | -33.9 | 0 | 0 | 0 | 113.1 | Y1845 W1889 D1913 W1927 | Y1845-P1929 WeakPolarHBondContact CE2-O 3.27Å; Y1845-P1929 PolarHBondContact OH-O 3.34Å; W1889-P1929 HydrophobicContact CH2-CB 4.08Å; W1889-P1929 HydrophobicContact CZ2-CB 3.91Å; W1889-P1929 HydrophobicContact CZ2-CG 4.04Å; D1913-P1929 HydrophobicContact CB-CG 3.87Å; D1913-P1929 WeakPolarHBondContact O-CD 3.44Å; W1927-P1929 WeakPolarHBondContact O-CD 3.29Å |
| 1930 | E | 63 | Low | 67 | Low | 133 Ų | 133 | 46.3 Ų | 46.3 | 62% | 0.621 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -35.9 | 174.1 | -62.4 | 179.9 | -166.6 | 0 | 0 | 112.5 | N1912 N1928 | N1912-E1930 PolarHBondContact ND2-OE2 3.11Å; N1928-E1930 PolarHBondContact O-N 2.9Å; N1928-E1930 WeakPolarHBondContact OD1-CB 3.28Å; N1928-E1930 PolarHBondContact OD1-N 3.08Å |
| 1931 | T | 67.3 | Low | 66.2 | Low | 69 Ų | 69 | 47.8 Ų | 47.8 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -6.4 | -178.3 | 68.4 | 0 | 0 | 0 | 0 | 114 | N1928 Q1933 | N1928-T1931 WeakPolarHBondContact CB-OG1 3.25Å; N1928-T1931 VanDerWaalsContact CG-OG1 3.32Å; N1928-T1931 PolarHBondContact ND2-OG1 2.69Å; N1928-T1931 PolarHBondContact O-N 3.28Å; N1928-T1931 PolarHBondContact OD1-N 2.93Å; T1931-Q1933 PolarHBondContact O-N 3Å; T1931-Q1933 VanDerWaalsContact O-N 3.17Å |
| 1932 | C | 63.5 | Low | 65 | Low | 51 Ų | 51 | 52.4 Ų | 52.4 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 17.3 | -175.2 | -61.5 | 0 | 0 | 0 | 0 | 114.6 | L1876 N1928 | L1876-C1932 HydrophobicContact CD2-CB 3.49Å; L1876-C1932 VanDerWaalsContact CD2-CB 3.49Å; N1928-C1932 WeakPolarHBondContact O-CA 3.49Å; N1928-C1932 PolarHBondContact O-N 2.87Å |
| 1933 | Q | 65.4 | Low | 63.8 | Low | 128 Ų | 128 | 53.6 Ų | 53.6 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.8 | -176.7 | -67.2 | -175.9 | -45.2 | 0 | 0 | 112.7 | W1927 N1928 T1931 I1935 | W1927-Q1933 WeakPolarHBondContact CA-O 3.31Å; N1928-Q1933 PolarHBondContact N-O 2.93Å; T1931-Q1933 PolarHBondContact O-N 3Å; T1931-Q1933 VanDerWaalsContact O-N 3.17Å; Q1933-I1935 PolarHBondContact O-N 2.83Å |
| 1934 | L | 68.9 | Low | 62.1 | Low | 74 Ų | 74 | 54.6 Ų | 54.6 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 116.7 | 165 | 179.9 | 70.2 | 0 | 0 | 0 | 109 | R1925 W1927 S1936 E1937 | R1925-L1934 HydrophobicContact CB-CD1 3.68Å; R1925-L1934 HydrophobicContact CG-CD1 3.94Å; W1927-L1934 HydrophobicContact CD2-CD1 4.28Å; W1927-L1934 HydrophobicContact CE3-CB 4.11Å; W1927-L1934 HydrophobicContact CH2-CB 4.16Å; W1927-L1934 HydrophobicContact CH2-CD1 4.28Å; W1927-L1934 HydrophobicContact CZ2-CD1 3.88Å; W1927-L1934 HydrophobicContact CZ3-CB 3.92Å; L1934-S1936 WeakPolarHBondContact CD1-O 3.43Å; L1934-E1937 HydrophobicContact CD1-CB 4.46Å; L1934-E1937 HydrophobicContact CD2-CB 4.29Å |
| 1935 | I | 67.7 | Low | 60.2 | Low | 91 Ų | 91 | 54.7 Ų | 54.7 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -44.3 | 176.5 | -53.1 | 174.3 | 0 | 0 | 0 | 109.9 | I1914 L1926 N1928 Q1933 | I1914-I1935 HydrophobicContact CD1-CD1 4.39Å; I1914-I1935 HydrophobicContact CG1-CD1 4.08Å; I1914-I1935 HydrophobicContact CG2-CD1 4.13Å; L1926-I1935 HydrophobicContact CB-CB 4.04Å; L1926-I1935 HydrophobicContact CB-CD1 4.44Å; L1926-I1935 PolarHBondContact O-N 2.69Å; N1928-I1935 HydrophobicContact CB-CD1 3.95Å; N1928-I1935 HydrophobicContact CB-CG1 3.99Å; Q1933-I1935 PolarHBondContact O-N 2.83Å |
| 1936 | S | 67.6 | Low | 58.2 | Low | 42 Ų | 42 | 52.5 Ų | 52.5 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 147.7 | -179 | -171.7 | 0 | 0 | 0 | 0 | 111 | R1925 L1926 L1934 | R1925-S1936 WeakPolarHBondContact CA-O 3.38Å; L1926-S1936 PolarHBondContact N-O 3.27Å; L1926-S1936 PolarHBondContact O-N 2.65Å; L1934-S1936 WeakPolarHBondContact CD1-O 3.43Å |
| 1937 | E | 74.2 | Confident | 56.4 | Low | 62 Ų | 62 | 52.1 Ų | 52.1 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.4 | 170.8 | 171.1 | 165.7 | -151.7 | 0 | 0 | 109.5 | R1925 L1934 K1939 | R1925-E1937 HydrophobicContact CG-CB 3.96Å; R1925-E1937 HydrophobicContact CG-CG 3.87Å; R1925-E1937 IonicContact CZ-OE1 2.71Å; R1925-E1937 IonicContact CZ-OE2 2.83Å; R1925-E1937 IonicContact NE-OE1 3.04Å; R1925-E1937 PolarHBondContact NE-OE1 3.16Å; R1925-E1937 IonicContact NE-OE2 3.45Å; R1925-E1937 VanDerWaalsContact NH2-CD 3.29Å; R1925-E1937 IonicContact NH2-OE1 3.77Å; R1925-E1937 PolarHBondContact NH2-OE1 3.01Å; R1925-E1937 IonicContact NH2-OE2 3.48Å; R1925-E1937 PolarHBondContact NH2-OE2 3.5Å; L1934-E1937 HydrophobicContact CD1-CB 4.46Å; L1934-E1937 HydrophobicContact CD2-CB 4.29Å; E1937-K1939 HydrophobicContact CG-CG 3.82Å |
| 1938 | L | 62.6 | Low | 55.2 | Low | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 99.4 | 166.4 | -178.4 | 64.4 | 0 | 0 | 0 | 108.4 | I1924 T1940 F2003 M2008 | I1924-L1938 HydrophobicContact CB-CB 4.43Å; I1924-L1938 HydrophobicContact CD1-CD2 4.43Å; I1924-L1938 PolarHBondContact N-O 3.05Å; I1924-L1938 PolarHBondContact O-N 2.85Å; L1938-T1940 VanDerWaalsContact C-N 3.34Å; L1938-T1940 PolarHBondContact O-N 3.47Å; L1938-F2003 HydrophobicContact CD2-CD1 4.27Å; L1938-F2003 HydrophobicContact CD2-CE1 4.27Å; L1938-M2008 HydrophobicContact CB-SD 3.91Å; L1938-M2008 WeakPolarHBondContact CD1-O 3.09Å; L1938-M2008 WeakPolarHBondContact CD2-O 3.26Å |
| 1939 | K | 60.2 | Low | 53.7 | Low | 91 Ų | 91 | 53.6 Ų | 53.6 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | trans | -74.1 | 92.7 | 168.6 | -63 | -154.5 | -143.3 | 74.6 | 0 | 109.4 | N1923 E1937 N1941 E1942 | N1923-K1939 WeakPolarHBondContact OD1-CA 3.04Å; E1937-K1939 HydrophobicContact CG-CG 3.82Å; K1939-N1941 PolarHBondContact O-N 2.63Å; K1939-E1942 HydrophobicContact CB-CB 4.29Å; K1939-E1942 HydrophobicContact CB-CG 4.08Å; K1939-E1942 WeakPolarHBondContact CD-OE1 3.38Å; K1939-E1942 IonicContact NZ-OE1 3.62Å; K1939-E1942 PolarHBondContact NZ-OE1 3.46Å; K1939-E1942 PolarHBondContact O-N 3.11Å | ||
| 1940 | T | 52.9 | Low | 53.1 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -48.1 | -30.4 | 166.1 | 49 | 0 | 0 | 0 | 0 | 112.4 | W1413 D1921 G1922 N1923 I1924 L1938 S1943 | W1413-T1940 HydrophobicContact CH2-CG2 3.67Å; W1413-T1940 VanDerWaalsContact CZ2-CB 3.44Å; W1413-T1940 HydrophobicContact CZ2-CG2 4.13Å; W1413-T1940 HydrophobicContact CZ3-CG2 4.35Å; D1921-T1940 PolarHBondContact O-OG1 3.05Å; D1921-T1940 VanDerWaalsContact O-OG1 3.08Å; G1922-T1940 WeakPolarHBondContact CA-OG1 3.09Å; G1922-T1940 WeakPolarHBondContact O-CG2 3.47Å; N1923-T1940 WeakPolarHBondContact CA-OG1 3.43Å; N1923-T1940 PolarHBondContact N-OG1 3.07Å; I1924-T1940 HydrophobicContact CG1-CG2 4.43Å; L1938-T1940 VanDerWaalsContact C-N 3.34Å; L1938-T1940 PolarHBondContact O-N 3.47Å; T1940-S1943 CarbonylContact O-C 3.5Å; T1940-S1943 VanDerWaalsContact O-CA 3.27Å; T1940-S1943 WeakPolarHBondContact O-CA 3.25Å; T1940-S1943 WeakPolarHBondContact O-CB 3.21Å; T1940-S1943 PolarHBondContact O-N 2.84Å |
| 1941 | N | 43.8 | Very low | 52.4 | Low | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -88 | 0.9 | -179 | -55.2 | -20.9 | 0 | 0 | 0 | 114.4 | D1921 K1939 A1944 | D1921-N1941 WeakPolarHBondContact CB-ND2 3.2Å; D1921-N1941 VanDerWaalsContact O-CG 3.27Å; D1921-N1941 PolarHBondContact O-ND2 2.87Å; D1921-N1941 PolarHBondContact O-OD1 2.79Å; K1939-N1941 PolarHBondContact O-N 2.63Å; N1941-A1944 WeakPolarHBondContact O-CA 3.32Å; N1941-A1944 PolarHBondContact O-N 2.83Å; N1941-A1944 VanDerWaalsContact O-N 3.1Å |
| 1942 | E | 35.6 | Very low | 51.8 | Low | 129 Ų | 129 | 48 Ų | 48 | 60% | 0.603 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -78.3 | -6.5 | 154.2 | -74.9 | 169.8 | -150.6 | 0 | 0 | 110.9 | L1433 K1939 A1944 | L1433-E1942 WeakPolarHBondContact CD2-O 3.4Å; K1939-E1942 HydrophobicContact CB-CB 4.29Å; K1939-E1942 HydrophobicContact CB-CG 4.08Å; K1939-E1942 WeakPolarHBondContact CD-OE1 3.38Å; K1939-E1942 IonicContact NZ-OE1 3.62Å; K1939-E1942 PolarHBondContact NZ-OE1 3.46Å; K1939-E1942 PolarHBondContact O-N 3.11Å; E1942-A1944 VanDerWaalsContact C-N 3.28Å; E1942-A1944 PolarHBondContact O-N 3.41Å |
| 1943 | S | 34.1 | Very low | 51.7 | Low | 26 Ų | 26 | 47.1 Ų | 47.1 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -87.2 | 71.8 | 139.2 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | T1940 N1945 S1946 | T1940-S1943 CarbonylContact O-C 3.5Å; T1940-S1943 VanDerWaalsContact O-CA 3.27Å; T1940-S1943 WeakPolarHBondContact O-CA 3.25Å; T1940-S1943 WeakPolarHBondContact O-CB 3.21Å; T1940-S1943 PolarHBondContact O-N 2.84Å; S1943-N1945 PolarHBondContact O-N 3.04Å; S1943-S1946 PolarHBondContact O-N 2.79Å |
| 1944 | A | 38.8 | Very low | 52.1 | Low | 39 Ų | 39 | 42.1 Ų | 42.1 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | trans | -58.3 | -1.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1420 L1433 N1941 E1942 | F1420-A1944 WeakPolarHBondContact CB-O 3.38Å; F1420-A1944 WeakPolarHBondContact CD1-O 3.23Å; F1420-A1944 WeakPolarHBondContact CD2-O 3.34Å; F1420-A1944 WeakPolarHBondContact CG-O 3.4Å; L1433-A1944 HydrophobicContact CD2-CB 4.43Å; L1433-A1944 HydrophobicContact CG-CB 4.2Å; N1941-A1944 WeakPolarHBondContact O-CA 3.32Å; N1941-A1944 PolarHBondContact O-N 2.83Å; N1941-A1944 VanDerWaalsContact O-N 3.1Å; E1942-A1944 VanDerWaalsContact C-N 3.28Å; E1942-A1944 PolarHBondContact O-N 3.41Å | ||
| 1945 | N | 33.6 | Very low | 52.1 | Low | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -96.4 | 38.3 | 169.7 | -104.5 | 45 | 0 | 0 | 0 | 113.4 | D1414 G1418 I1419 F1420 E1431 E1432 L1433 S1943 | D1414-N1945 VanDerWaalsContact O-O 3.1Å; G1418-N1945 VanDerWaalsContact C-ND2 3.27Å; G1418-N1945 CarbonylContact C-O 3.58Å; G1418-N1945 VanDerWaalsContact CA-CB 3.45Å; G1418-N1945 WeakPolarHBondContact CA-O 3.26Å; G1418-N1945 PolarHBondContact O-ND2 2.95Å; I1419-N1945 VanDerWaalsContact C-C 3.48Å; I1419-N1945 CarbonylContact C-O 3.49Å; I1419-N1945 VanDerWaalsContact CA-ND2 3.33Å; I1419-N1945 WeakPolarHBondContact CA-ND2 3.03Å; I1419-N1945 WeakPolarHBondContact CA-O 3.29Å; I1419-N1945 PolarHBondContact N-O 2.73Å; F1420-N1945 VanDerWaalsContact CB-CA 3.47Å; F1420-N1945 HydrophobicContact CB-CB 4.49Å; F1420-N1945 VanDerWaalsContact N-C 3.33Å; F1420-N1945 PolarHBondContact N-O 2.86Å; E1431-N1945 WeakPolarHBondContact CB-OD1 3.39Å; E1431-N1945 PolarHBondContact O-ND2 2.76Å; E1431-N1945 PolarHBondContact O-OD1 3.24Å; E1431-N1945 VanDerWaalsContact O-OD1 3.11Å; E1432-N1945 VanDerWaalsContact CA-ND2 3.33Å; E1432-N1945 WeakPolarHBondContact CA-ND2 3.5Å; E1432-N1945 WeakPolarHBondContact CA-OD1 3.38Å; E1432-N1945 PolarHBondContact N-OD1 2.73Å; L1433-N1945 HydrophobicContact CB-CB 3.36Å; L1433-N1945 VanDerWaalsContact CB-CG 3.41Å; L1433-N1945 WeakPolarHBondContact CB-OD1 3.34Å; L1433-N1945 HydrophobicContact CD1-CB 4Å; L1433-N1945 HydrophobicContact CG-CB 3.97Å; L1433-N1945 PolarHBondContact N-OD1 2.99Å; S1943-N1945 PolarHBondContact O-N 3.04Å |
| 1946 | S | 35 | Very low | 52.1 | Low | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -154.6 | 111.7 | -179.6 | -152.6 | 0 | 0 | 0 | 0 | 111 | W1413 D1414 S1415 F1420 S1943 N1948 | W1413-S1946 VanDerWaalsContact CD2-OG 3.3Å; W1413-S1946 VanDerWaalsContact CE2-CB 3.4Å; W1413-S1946 VanDerWaalsContact CG-OG 3.26Å; W1413-S1946 VanDerWaalsContact NE1-CB 3.33Å; W1413-S1946 PolarHBondContact NE1-O 2.91Å; W1413-S1946 PolarHBondContact NE1-OG 3.14Å; D1414-S1946 WeakPolarHBondContact CA-OG 2.94Å; D1414-S1946 PolarHBondContact N-OG 2.96Å; D1414-S1946 WeakPolarHBondContact O-CB 3.29Å; D1414-S1946 PolarHBondContact O-OG 3.06Å; S1415-S1946 PolarHBondContact N-OG 2.76Å; F1420-S1946 VanDerWaalsContact CD2-C 3.47Å; F1420-S1946 WeakPolarHBondContact CD2-O 3.37Å; S1943-S1946 PolarHBondContact O-N 2.79Å; S1946-N1948 PolarHBondContact O-N 2.97Å |
| 1947 | L | 40.2 | Very low | 51.7 | Low | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -89.6 | 107.9 | -158.3 | -46.7 | 78.2 | 0 | 0 | 0 | 112.8 | L1411 I1412 W1413 I1419 F1420 I1421 G1949 | L1411-L1947 CarbonylContact C-O 3.53Å; L1411-L1947 HydrophobicContact CB-CB 3.56Å; L1411-L1947 HydrophobicContact CB-CD2 4.21Å; L1411-L1947 HydrophobicContact CD2-CB 3.48Å; L1411-L1947 VanDerWaalsContact CD2-CB 3.48Å; L1411-L1947 HydrophobicContact CD2-CD2 4.39Å; L1411-L1947 HydrophobicContact CD2-CG 4.28Å; L1411-L1947 HydrophobicContact CG-CB 3.76Å; L1411-L1947 HydrophobicContact CG-CD2 4.11Å; L1411-L1947 HydrophobicContact CG-CG 4.5Å; I1412-L1947 CarbonylContact C-O 3.58Å; I1412-L1947 WeakPolarHBondContact CA-O 3.44Å; I1412-L1947 HydrophobicContact CB-CD1 4.28Å; I1412-L1947 PolarHBondContact N-O 2.82Å; I1412-L1947 WeakPolarHBondContact O-CA 3.27Å; I1412-L1947 WeakPolarHBondContact O-CB 3.35Å; I1412-L1947 WeakPolarHBondContact O-CD1 3.4Å; I1412-L1947 PolarHBondContact O-N 2.9Å; W1413-L1947 PolarHBondContact N-O 2.88Å; W1413-L1947 VanDerWaalsContact N-O 3.08Å; I1419-L1947 VanDerWaalsContact O-CD1 3.24Å; I1419-L1947 WeakPolarHBondContact O-CD1 3.45Å; F1420-L1947 VanDerWaalsContact CA-CD1 3.45Å; F1420-L1947 HydrophobicContact CB-CD1 4.43Å; F1420-L1947 HydrophobicContact CB-CG 4.21Å; F1420-L1947 HydrophobicContact CD2-CB 3.74Å; F1420-L1947 HydrophobicContact CD2-CG 3.68Å; F1420-L1947 HydrophobicContact CE2-CB 4.15Å; F1420-L1947 HydrophobicContact CE2-CG 4.45Å; F1420-L1947 HydrophobicContact CG-CB 4.48Å; F1420-L1947 HydrophobicContact CG-CG 3.93Å; I1421-L1947 HydrophobicContact CB-CD1 3.98Å; I1421-L1947 HydrophobicContact CB-CD2 3.94Å; I1421-L1947 HydrophobicContact CB-CG 4.44Å; I1421-L1947 HydrophobicContact CD1-CD1 4.45Å; I1421-L1947 HydrophobicContact CG1-CD1 4Å; I1421-L1947 VanDerWaalsContact N-CD1 3.29Å; I1421-L1947 WeakPolarHBondContact O-CD2 3.21Å; L1947-G1949 VanDerWaalsContact C-N 3.26Å; L1947-G1949 PolarHBondContact O-N 2.91Å | ||
| 1948 | N | 47.7 | Very low | 50.8 | Low | 71 Ų | 71 | 33.8 Ų | 33.8 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | trans | 20.3 | 48.1 | 169.4 | -47.6 | -2.4 | 0 | 0 | 0 | 118.9 | L1411 S1946 S1950 | L1411-N1948 HydrophobicContact CB-CB 3.64Å; L1411-N1948 HydrophobicContact CD2-CB 4.01Å; L1411-N1948 VanDerWaalsContact CD2-CG 3.47Å; L1411-N1948 WeakPolarHBondContact CD2-OD1 3.49Å; L1411-N1948 HydrophobicContact CG-CB 4.23Å; S1946-N1948 PolarHBondContact O-N 2.97Å; N1948-S1950 PolarHBondContact O-N 2.86Å | ||
| 1949 | G | 41.8 | Very low | 50.2 | Low | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -73.9 | 101.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | L1947 T1951 Y1995 | L1947-G1949 VanDerWaalsContact C-N 3.26Å; L1947-G1949 PolarHBondContact O-N 2.91Å; G1949-T1951 PolarHBondContact O-N 3.05Å; G1949-Y1995 VanDerWaalsContact O-CD1 3.3Å; G1949-Y1995 WeakPolarHBondContact O-CD1 3.4Å | ||
| 1950 | S | 51.6 | Low | 49.3 | Very low | 39 Ų | 39 | 33.3 Ų | 33.3 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | trans | -59.2 | 133.1 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | N1948 T1996 | N1948-S1950 PolarHBondContact O-N 2.86Å; S1950-T1996 PolarHBondContact N-OG1 3.01Å; S1950-T1996 PolarHBondContact O-N 3.41Å; S1950-T1996 PolarHBondContact O-OG1 2.95Å; S1950-T1996 VanDerWaalsContact O-OG1 3.13Å; S1950-T1996 WeakPolarHBondContact OG-CG2 3.47Å; S1950-T1996 PolarHBondContact OG-OG1 3.07Å | ||
| 1951 | T | 48.5 | Very low | 48.8 | Very low | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 140.8 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 110.4 | G1949 I1993 Y1995 | G1949-T1951 PolarHBondContact O-N 3.05Å; T1951-I1993 HydrophobicContact CG2-CG2 3.55Å; T1951-Y1995 HydrophobicContact CG2-CD1 3.98Å; T1951-Y1995 HydrophobicContact CG2-CE1 3.64Å |
| 1952 | V | 54.5 | Low | 48.8 | Very low | 51 Ų | 51 | 34.3 Ų | 34.3 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -48.9 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | A1994 T1996 I2025 | V1952-A1994 PolarHBondContact N-O 2.95Å; V1952-T1996 VanDerWaalsContact CG2-CA 3.49Å; V1952-T1996 HydrophobicContact CG2-CG2 3.36Å; V1952-T1996 VanDerWaalsContact CG2-N 3.35Å; V1952-I2025 WeakPolarHBondContact CG1-O 3.38Å |
| 1953 | D | 60.5 | Low | 49 | Very low | 33 Ų | 33 | 32.1 Ų | 32.1 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 161.4 | 179.9 | 178.8 | 53 | 0 | 0 | 0 | 110.1 | A1994 V2027 I2028 | D1953-A1994 HydrophobicContact CB-CB 4.41Å; D1953-A1994 PolarHBondContact N-O 3.43Å; D1953-A1994 PolarHBondContact O-N 3.03Å; D1953-A1994 VanDerWaalsContact O-O 3.09Å; D1953-V2027 WeakPolarHBondContact OD2-CA 3.09Å; D1953-V2027 WeakPolarHBondContact OD2-CG2 3.42Å; D1953-I2028 WeakPolarHBondContact OD2-CG2 3.27Å; D1953-I2028 PolarHBondContact OD2-N 2.84Å |
| 1954 | L | 75.2 | Confident | 49.5 | Very low | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 139.1 | 175.4 | 53.3 | 161.5 | 0 | 0 | 0 | 110.7 | I1888 L1991 A1992 I1993 | I1888-L1954 HydrophobicContact CD1-CB 4.29Å; I1888-L1954 HydrophobicContact CD1-CD1 3.72Å; I1888-L1954 HydrophobicContact CD1-CG 3.68Å; I1888-L1954 WeakPolarHBondContact CD1-O 3.15Å; I1888-L1954 HydrophobicContact CG1-CD1 3.93Å; I1888-L1954 HydrophobicContact CG1-CG 4.1Å; L1954-L1991 HydrophobicContact CB-CD1 4.5Å; L1954-A1992 CarbonylContact C-O 3.52Å; L1954-A1992 WeakPolarHBondContact CA-O 3.29Å; L1954-I1993 HydrophobicContact CB-CG1 4.13Å; L1954-I1993 HydrophobicContact CB-CG2 4.45Å |
| 1955 | C | 68.6 | Low | 49.6 | Very low | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.2 | 179.8 | -173.8 | 0 | 0 | 0 | 0 | 111 | A1992 I2028 | C1955-A1992 PolarHBondContact N-O 3.3Å; C1955-A1992 WeakPolarHBondContact O-CB 3.23Å; C1955-A1992 PolarHBondContact O-N 2.85Å; C1955-I2028 HydrophobicContact CB-CG2 3.85Å; C1955-I2028 WeakPolarHBondContact CB-O 3.34Å; C1955-I2028 PolarHBondContact SG-O 2.92Å; C1955-I2028 VanDerWaalsContact SG-O 3.4Å |
| 1956 | L | 66.2 | Low | 49.6 | Very low | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 149.1 | 171.3 | -170.2 | 75 | 0 | 0 | 0 | 110.8 | W1890 D1958 L2005 F2030 | W1890-L1956 HydrophobicContact CG-CD1 4.4Å; W1890-L1956 HydrophobicContact CG-CD2 4.04Å; L1956-D1958 PolarHBondContact O-N 3.22Å; L1956-L2005 HydrophobicContact CD1-CD1 3.52Å; L1956-F2030 VanDerWaalsContact O-CD2 3.31Å; L1956-F2030 WeakPolarHBondContact O-CD2 3.28Å |
| 1957 | L | 60.3 | Low | 49.4 | Very low | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | trans | -79.4 | 107.4 | 164.8 | 178.1 | 68.8 | 0 | 0 | 0 | 110.5 | Y1959 V1962 C1990 F2030 | L1957-Y1959 VanDerWaalsContact C-N 3.31Å; L1957-Y1959 HydrophobicContact CD1-CD2 3.98Å; L1957-Y1959 PolarHBondContact O-N 3.01Å; L1957-V1962 HydrophobicContact CD2-CB 4.25Å; L1957-V1962 HydrophobicContact CD2-CG2 3.86Å; L1957-C1990 HydrophobicContact CB-CB 4.1Å; L1957-C1990 WeakPolarHBondContact CB-O 3.01Å; L1957-C1990 HydrophobicContact CD2-CB 3.99Å; L1957-C1990 PolarHBondContact N-O 3.06Å; L1957-F2030 HydrophobicContact CB-CD2 4.2Å; L1957-F2030 HydrophobicContact CB-CE1 4.39Å; L1957-F2030 HydrophobicContact CB-CE2 3.89Å; L1957-F2030 HydrophobicContact CB-CZ 3.98Å; L1957-F2030 HydrophobicContact CD1-CB 4.15Å; L1957-F2030 HydrophobicContact CD1-CD1 3.44Å; L1957-F2030 VanDerWaalsContact CD1-CD1 3.44Å; L1957-F2030 HydrophobicContact CD1-CD2 4.12Å; L1957-F2030 HydrophobicContact CD1-CE1 3.74Å; L1957-F2030 HydrophobicContact CD1-CE2 4.37Å; L1957-F2030 HydrophobicContact CD1-CG 3.64Å; L1957-F2030 HydrophobicContact CD1-CZ 4.19Å | ||
| 1958 | D | 55.7 | Low | 48.8 | Very low | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | trans | -80.6 | -4 | 176.8 | -66.9 | -54.8 | 0 | 0 | 0 | 114.2 | Q1894 L1956 | Q1894-D1958 PolarHBondContact NE2-OD1 3.05Å; L1956-D1958 PolarHBondContact O-N 3.22Å | ||
| 1959 | Y | 49.4 | Very low | 47.9 | Very low | 61 Ų | 61 | 49.4 Ų | 49.4 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -100.9 | 133.5 | -174.5 | -61.5 | -81.3 | 0 | 0 | 0 | 113.2 | F1898 L1957 F2030 F2031 S2095 | F1898-Y1959 WeakPolarHBondContact CZ-O 3.4Å; L1957-Y1959 VanDerWaalsContact C-N 3.31Å; L1957-Y1959 HydrophobicContact CD1-CD2 3.98Å; L1957-Y1959 PolarHBondContact O-N 3.01Å; Y1959-F2030 HydrophobicContact CD2-CB 4.12Å; Y1959-F2030 HydrophobicContact CE2-CB 3.94Å; Y1959-F2031 PolarHBondContact OH-O 2.83Å; Y1959-S2095 PolarHBondContact OH-OG 2.65Å |
| 1960 | P | 40.4 | Very low | 47.2 | Very low | 64 Ų | 64 | 54 Ų | 54 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -75.4 | 144.3 | 175.5 | 31.1 | -34.6 | 0 | 0 | 0 | 112.9 | L1897 F1898 | L1897-P1960 WeakPolarHBondContact O-CB 3.46Å; F1898-P1960 HydrophobicContact CD1-CB 4.22Å; F1898-P1960 HydrophobicContact CE1-CB 4.46Å; F1898-P1960 HydrophobicContact CG-CB 4.35Å |
| 1961 | G | 44.4 | Very low | 46 | Very low | 60 Ų | 60 | 56 Ų | 56 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | trans | 132.9 | -21.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | I1963 | G1961-I1963 PolarHBondContact O-N 3.18Š| ||
| 1962 | V | 42.9 | Very low | 44.9 | Very low | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.115 | 40% | 0.396 | C | S | . | . | trans | -72.9 | 124.6 | -175.7 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L1957 P2033 I2069 | L1957-V1962 HydrophobicContact CD2-CB 4.25Å; L1957-V1962 HydrophobicContact CD2-CG2 3.86Å; V1962-P2033 HydrophobicContact CG2-CB 3.78Å; V1962-I2069 HydrophobicContact CG1-CD1 4.38Å | ||
| 1963 | I | 40.7 | Very low | 43.6 | Very low | 84 Ų | 84 | 67 Ų | 67 | 43% | 0.431 | 42% | 0.421 | S | S | . | . | trans | -92.6 | 107.8 | -180 | -58.1 | 175.7 | 0 | 0 | 0 | 109.8 | G1961 S1965 | G1961-I1963 PolarHBondContact O-N 3.18Å; I1963-S1965 PolarHBondContact O-N 2.77Å | ||
| 1964 | C | 43.4 | Very low | 42 | Very low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.014 | 45% | 0.454 | C | S | . | . | trans | -93.7 | 82.1 | -179.5 | -64 | 0 | 0 | 0 | 0 | 112.4 | G1966 S1987 C2004 V2011 | C1964-G1966 PolarHBondContact O-N 3.11Å; C1964-S1987 PolarHBondContact O-OG 3.17Å; C1964-C2004 HydrophobicContact CB-CB 4.05Å; C1964-V2011 HydrophobicContact CB-CG1 4.45Å; C1964-V2011 HydrophobicContact CB-CG2 4.06Å | ||
| 1965 | S | 41.4 | Very low | 39.6 | Very low | 81 Ų | 81 | 82.3 Ų | 82.3 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | trans | -94.2 | 77.2 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 113 | I1963 | I1963-S1965 PolarHBondContact O-N 2.77Š| ||
| 1966 | G | 34.2 | Very low | 37.5 | Very low | 26 Ų | 26 | 90.4 Ų | 90.4 | 27% | 0.268 | 54% | 0.535 | S | S | . | . | trans | -68.9 | 135.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1964 K2007 | C1964-G1966 PolarHBondContact O-N 3.11Å; G1966-K2007 PolarHBondContact O-NZ 3.31Å | ||
| 1967 | S | 30.4 | Very low | 35.5 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | trans | -110.8 | 125.9 | -175.8 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1968 | E | 27 | Very low | 33.8 | Very low | 179 Ų | 179 | 100 Ų | 100 | 84% | 0.836 | 60% | 0.603 | S | S | * | * | trans | -77.6 | 123.6 | 172.9 | -65.8 | 168.3 | 149.7 | 0 | 0 | 109.9 | ||||
| 1969 | V | 28.2 | Very low | 32.5 | Very low | 137 Ų | 137 | 106.7 Ų | 106.7 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | trans | -103.1 | 55.3 | 174.9 | -168.2 | 0 | 0 | 0 | 0 | 109.5 | G1971 | V1969-G1971 PolarHBondContact O-N 2.64Š| ||
| 1970 | S | 27.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 112 Ų | 112 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | trans | -75.7 | 101.4 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | V1972 | S1970-V1972 PolarHBondContact O-N 2.84Å; S1970-V1972 VanDerWaalsContact O-N 3.12Å | ||
| 1971 | G | 27.5 | Very low | 30.9 | Very low | 80 Ų | 80 | 116.7 Ų | 116.7 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | -72.4 | 100.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1969 | V1969-G1971 PolarHBondContact O-N 2.64Š| ||
| 1972 | V | 26 | Very low | 30.4 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | trans | -133.1 | 128.2 | 158.9 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | S1970 | S1970-V1972 PolarHBondContact O-N 2.84Å; S1970-V1972 VanDerWaalsContact O-N 3.12Å | ||
| 1973 | N | 26.4 | Very low | 30 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -75.4 | 131.7 | 174.1 | -62.7 | -42.4 | 0 | 0 | 0 | 110 | ||||
| 1974 | E | 25.7 | Very low | 29.6 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | 176.6 | 176.8 | 105.8 | -93.2 | -172.2 | 177 | 0 | 0 | 112.1 | L1976 | E1974-L1976 PolarHBondContact O-N 2.73Å; E1974-L1976 VanDerWaalsContact O-N 3.14Å | |||
| 1975 | M | 25.6 | Very low | 29.1 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 96.2 | -164.5 | -64.5 | -176.5 | 179.9 | 0 | 0 | 114.3 | ||||
| 1976 | L | 24.6 | Very low | 29 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -133 | 91 | 156.6 | -75.1 | 178.8 | 0 | 0 | 0 | 111.1 | E1974 | E1974-L1976 PolarHBondContact O-N 2.73Å; E1974-L1976 VanDerWaalsContact O-N 3.14Å | ||
| 1977 | S | 24.6 | Very low | 29.5 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -77.3 | 153.8 | 170.8 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1978 | S | 25 | Very low | 30.4 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 62.1 | 72.7 | 167.8 | 61.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1979 | K | 27.6 | Very low | 32 | Very low | 210 Ų | 210 | 124.2 Ų | 124.2 | 91% | 0.913 | 69% | 0.694 | S | S | * | * | trans | -138.8 | 97.1 | 131.9 | -74.3 | -161.2 | 178.3 | 179.8 | 0 | 109.9 | ||||
| 1980 | E | 27.2 | Very low | 33.8 | Very low | 173 Ų | 173 | 118 Ų | 118 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | trans | -76.4 | 135.5 | 167.7 | -61.3 | 176.3 | 136.8 | 0 | 0 | 108.9 | S1982 | E1980-S1982 PolarHBondContact O-N 3.43Å; E1980-S1982 VanDerWaalsContact O-N 3.09Å | ||
| 1981 | D | 29.1 | Very low | 36.2 | Very low | 163 Ų | 163 | 113.3 Ų | 113.3 | 87% | 0.872 | 62% | 0.624 | S | S | * | * | trans | -69.6 | 106.9 | 174.1 | -84.2 | -41.1 | 0 | 0 | 0 | 109.6 | N1983 | D1981-N1983 PolarHBondContact O-N 3.1Š| ||
| 1982 | S | 33.6 | Very low | 38.3 | Very low | 112 Ų | 112 | 109.5 Ų | 109.5 | 78% | 0.783 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 4.2 | -162.9 | 62.4 | 0 | 0 | 0 | 0 | 116.8 | E1980 | E1980-S1982 PolarHBondContact O-N 3.43Å; E1980-S1982 VanDerWaalsContact O-N 3.09Å |
| 1983 | N | 35.5 | Very low | 40.5 | Very low | 114 Ų | 114 | 103.1 Ų | 103.1 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 4.1 | -164.9 | -67.9 | -5 | 0 | 0 | 0 | 114.4 | D1981 R1985 | D1981-N1983 PolarHBondContact O-N 3.1Å; N1983-R1985 VanDerWaalsContact C-N 3.26Å; N1983-R1985 PolarHBondContact O-N 3.17Å |
| 1984 | G | 30.7 | Very low | 42.4 | Very low | 57 Ų | 57 | 95.9 Ų | 95.9 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | trans | 52.4 | 30.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | K1986 | G1984-K1986 PolarHBondContact O-N 3.02Å; G1984-K1986 VanDerWaalsContact O-N 3.1Å | ||
| 1985 | R | 34.7 | Very low | 44.4 | Very low | 207 Ų | 207 | 86.9 Ų | 86.9 | 78% | 0.781 | 47% | 0.465 | S | S | * | . | trans | -67.5 | 107.1 | -171.5 | -71 | -178.2 | 172 | 175.4 | -4.1 | 111.7 | N1983 | N1983-R1985 VanDerWaalsContact C-N 3.26Å; N1983-R1985 PolarHBondContact O-N 3.17Å | ||
| 1986 | K | 38.2 | Very low | 46.1 | Very low | 154 Ų | 154 | 80 Ų | 80 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 130.9 | 173.9 | -59.4 | 177.9 | -176.6 | 178.8 | 0 | 109.4 | G1984 P1988 | G1984-K1986 PolarHBondContact O-N 3.02Å; G1984-K1986 VanDerWaalsContact O-N 3.1Å; K1986-P1988 WeakPolarHBondContact O-CD 2.92Å |
| 1987 | S | 44.2 | Very low | 47.7 | Very low | 17 Ų | 17 | 72 Ų | 72 | 12% | 0.119 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 117.5 | -174 | 40.2 | 0 | 0 | 0 | 0 | 112.4 | C1964 | C1964-S1987 PolarHBondContact O-OG 3.17Š|
| 1988 | P | 50.3 | Low | 49.6 | Very low | 20 Ų | 20 | 66.7 Ų | 66.7 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 155.3 | 178.7 | 35.6 | -35.2 | 0 | 0 | 0 | 113.4 | F1898 K1986 | F1898-P1988 HydrophobicContact CB-CB 3.54Å; F1898-P1988 HydrophobicContact CB-CG 4.49Å; F1898-P1988 HydrophobicContact CD1-CB 3.61Å; F1898-P1988 HydrophobicContact CD2-CB 4.11Å; F1898-P1988 HydrophobicContact CE1-CB 4.32Å; F1898-P1988 HydrophobicContact CG-CB 3.49Å; F1898-P1988 VanDerWaalsContact CG-CB 3.49Å; K1986-P1988 WeakPolarHBondContact O-CD 2.92Å |
| 1989 | G | 60.9 | Low | 51.5 | Low | 5 Ų | 5 | 61.5 Ų | 61.5 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | trans | 94.5 | 109.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2005 | G1989-L2005 PolarHBondContact O-N 3.44Š| ||
| 1990 | C | 65.7 | Low | 53.5 | Low | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134 | 173.2 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | L1957 F2003 | L1957-C1990 HydrophobicContact CB-CB 4.1Å; L1957-C1990 WeakPolarHBondContact CB-O 3.01Å; L1957-C1990 HydrophobicContact CD2-CB 3.99Å; L1957-C1990 PolarHBondContact N-O 3.06Å; C1990-F2003 WeakPolarHBondContact CA-O 2.92Å |
| 1991 | L | 76.9 | Confident | 55.8 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.4 | 179.1 | 178.8 | 68.5 | 0 | 0 | 0 | 109.8 | I1888 I1916 L1954 I1993 L2002 F2003 L2005 | I1888-L1991 HydrophobicContact CD1-CD1 4.26Å; I1916-L1991 HydrophobicContact CD1-CD2 4.41Å; I1916-L1991 HydrophobicContact CG2-CD2 4.35Å; L1954-L1991 HydrophobicContact CB-CD1 4.5Å; L1991-I1993 HydrophobicContact CD2-CD1 3.89Å; L1991-I1993 HydrophobicContact CD2-CG1 3.94Å; L1991-I1993 HydrophobicContact CG-CD1 4.45Å; L1991-I1993 HydrophobicContact CG-CG1 3.96Å; L1991-L2002 WeakPolarHBondContact O-CA 3.19Å; L1991-F2003 PolarHBondContact N-O 3.15Å; L1991-F2003 PolarHBondContact O-N 3.08Å; L1991-L2005 HydrophobicContact CB-CD1 4.22Å; L1991-L2005 HydrophobicContact CB-CD2 3.87Å; L1991-L2005 HydrophobicContact CB-CG 4.01Å; L1991-L2005 HydrophobicContact CD2-CD2 4.06Å |
| 1992 | A | 71 | Confident | 57.8 | Low | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | L1954 C1955 V2000 R2001 L2002 I2028 F2030 | L1954-A1992 CarbonylContact C-O 3.52Å; L1954-A1992 WeakPolarHBondContact CA-O 3.29Å; C1955-A1992 PolarHBondContact N-O 3.3Å; C1955-A1992 WeakPolarHBondContact O-CB 3.23Å; C1955-A1992 PolarHBondContact O-N 2.85Å; A1992-V2000 HydrophobicContact CB-CG1 4.09Å; A1992-R2001 CarbonylContact C-O 3.6Å; A1992-R2001 WeakPolarHBondContact CA-O 3.27Å; A1992-L2002 HydrophobicContact CB-CD2 3.7Å; A1992-I2028 HydrophobicContact CB-CD1 4.27Å; A1992-F2030 HydrophobicContact CB-CE2 3.85Å; A1992-F2030 HydrophobicContact CB-CZ 3.85Å |
| 1993 | I | 72.8 | Confident | 59.7 | Low | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.9 | 172.9 | -53.9 | -176.1 | 0 | 0 | 0 | 109.1 | I1924 T1951 L1954 L1991 Y1995 V2000 R2001 F2003 | I1924-I1993 HydrophobicContact CD1-CD1 3.58Å; I1924-I1993 HydrophobicContact CG1-CD1 4.34Å; T1951-I1993 HydrophobicContact CG2-CG2 3.55Å; L1954-I1993 HydrophobicContact CB-CG1 4.13Å; L1954-I1993 HydrophobicContact CB-CG2 4.45Å; L1991-I1993 HydrophobicContact CD2-CD1 3.89Å; L1991-I1993 HydrophobicContact CD2-CG1 3.94Å; L1991-I1993 HydrophobicContact CG-CD1 4.45Å; L1991-I1993 HydrophobicContact CG-CG1 3.96Å; I1993-Y1995 HydrophobicContact CB-CD2 4.44Å; I1993-Y1995 HydrophobicContact CB-CE2 3.64Å; I1993-Y1995 HydrophobicContact CG2-CD2 4Å; I1993-Y1995 HydrophobicContact CG2-CE1 4.24Å; I1993-Y1995 HydrophobicContact CG2-CE2 3.41Å; I1993-Y1995 VanDerWaalsContact CG2-CE2 3.41Å; I1993-Y1995 WeakPolarHBondContact O-CD2 3.5Å; I1993-Y1995 WeakPolarHBondContact O-CE2 3.22Å; I1993-V2000 WeakPolarHBondContact O-CA 3.33Å; I1993-R2001 PolarHBondContact N-O 3.18Å; I1993-R2001 PolarHBondContact O-N 3.01Å; I1993-F2003 HydrophobicContact CB-CE2 4.4Å; I1993-F2003 HydrophobicContact CD1-CD2 3.93Å; I1993-F2003 HydrophobicContact CD1-CE2 3.82Å; I1993-F2003 HydrophobicContact CG1-CD2 4.14Å; I1993-F2003 HydrophobicContact CG1-CE2 4.2Å |
| 1994 | A | 66.5 | Low | 61.3 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1952 D1953 I2025 I2028 | V1952-A1994 PolarHBondContact N-O 2.95Å; D1953-A1994 HydrophobicContact CB-CB 4.41Å; D1953-A1994 PolarHBondContact N-O 3.43Å; D1953-A1994 PolarHBondContact O-N 3.03Å; D1953-A1994 VanDerWaalsContact O-O 3.09Å; A1994-I2025 HydrophobicContact CB-CB 3.89Å; A1994-I2025 HydrophobicContact CB-CD1 3.68Å; A1994-I2025 HydrophobicContact CB-CG1 4.38Å; A1994-I2025 HydrophobicContact CB-CG2 3.52Å; A1994-I2028 HydrophobicContact CB-CG2 4.03Å |
| 1995 | Y | 67.7 | Low | 62.9 | Low | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 161.2 | -174.7 | -67.4 | -98.8 | 0 | 0 | 0 | 110.9 | W1413 G1949 T1951 I1993 D1997 T1998 C1999 R2001 | W1413-Y1995 HydrophobicContact CD2-CE1 4.23Å; W1413-Y1995 HydrophobicContact CE3-CD1 4.35Å; W1413-Y1995 AromaticContact CE3-CE1 3.64Å; W1413-Y1995 HydrophobicContact CE3-CE1 3.64Å; W1413-Y1995 AromaticContact CE3-CZ 3.8Å; W1413-Y1995 HydrophobicContact CZ3-CE1 4.35Å; G1949-Y1995 VanDerWaalsContact O-CD1 3.3Å; G1949-Y1995 WeakPolarHBondContact O-CD1 3.4Å; T1951-Y1995 HydrophobicContact CG2-CD1 3.98Å; T1951-Y1995 HydrophobicContact CG2-CE1 3.64Å; I1993-Y1995 HydrophobicContact CB-CD2 4.44Å; I1993-Y1995 HydrophobicContact CB-CE2 3.64Å; I1993-Y1995 HydrophobicContact CG2-CD2 4Å; I1993-Y1995 HydrophobicContact CG2-CE1 4.24Å; I1993-Y1995 HydrophobicContact CG2-CE2 3.41Å; I1993-Y1995 VanDerWaalsContact CG2-CE2 3.41Å; I1993-Y1995 WeakPolarHBondContact O-CD2 3.5Å; I1993-Y1995 WeakPolarHBondContact O-CE2 3.22Å; Y1995-D1997 VanDerWaalsContact CB-OD1 3.25Å; Y1995-D1997 WeakPolarHBondContact CB-OD1 3.35Å; Y1995-D1997 PolarHBondContact O-N 3.47Å; Y1995-T1998 PolarHBondContact O-N 3.3Å; Y1995-C1999 PolarHBondContact N-O 3.03Å; Y1995-R2001 HydrophobicContact CD2-CG 4.35Å; Y1995-R2001 VanDerWaalsContact CD2-NH1 3.35Å; Y1995-R2001 HydrophobicContact CE2-CB 3.92Å; Y1995-R2001 VanDerWaalsContact CE2-CD 3.48Å; Y1995-R2001 HydrophobicContact CE2-CG 3.8Å |
| 1996 | T | 60.4 | Low | 64.2 | Low | 46 Ų | 46 | 19.8 Ų | 19.8 | 28% | 0.282 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -20.8 | 172.8 | 39.1 | 0 | 0 | 0 | 0 | 113.2 | S1950 V1952 | S1950-T1996 PolarHBondContact N-OG1 3.01Å; S1950-T1996 PolarHBondContact O-N 3.41Å; S1950-T1996 PolarHBondContact O-OG1 2.95Å; S1950-T1996 VanDerWaalsContact O-OG1 3.13Å; S1950-T1996 WeakPolarHBondContact OG-CG2 3.47Å; S1950-T1996 PolarHBondContact OG-OG1 3.07Å; V1952-T1996 VanDerWaalsContact CG2-CA 3.49Å; V1952-T1996 HydrophobicContact CG2-CG2 3.36Å; V1952-T1996 VanDerWaalsContact CG2-N 3.35Å |
| 1997 | D | 60 | Low | 65.2 | Low | 5 Ų | 5 | 17.4 Ų | 17.4 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -24.8 | -178.2 | 104 | -50.2 | 0 | 0 | 0 | 112 | P1467 Y1995 C1999 R2016 | P1467-D1997 WeakPolarHBondContact CG-O 3.45Å; Y1995-D1997 VanDerWaalsContact CB-OD1 3.25Å; Y1995-D1997 WeakPolarHBondContact CB-OD1 3.35Å; Y1995-D1997 PolarHBondContact O-N 3.47Å; D1997-C1999 VanDerWaalsContact OD1-CB 3.31Å; D1997-C1999 WeakPolarHBondContact OD1-CB 3.25Å; D1997-C1999 PolarHBondContact OD1-N 2.86Å; D1997-R2016 WeakPolarHBondContact O-CG 3.39Å; D1997-R2016 PolarHBondContact O-NH1 3.41Å; D1997-R2016 WeakPolarHBondContact OD2-CD 3.47Å; D1997-R2016 IonicContact OD2-CZ 3.32Å; D1997-R2016 IonicContact OD2-NE 2.73Å; D1997-R2016 PolarHBondContact OD2-NE 3.05Å; D1997-R2016 IonicContact OD2-NH2 3.34Å |
| 1998 | T | 62.7 | Low | 66.4 | Low | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | 79.3 | 18.4 | -172.9 | 77.8 | 0 | 0 | 0 | 0 | 118.9 | P1467 F1563 T1564 Y1995 Q2024 I2025 | P1467-T1998 VanDerWaalsContact CG-O 3.29Å; P1467-T1998 WeakPolarHBondContact CG-O 3.36Å; P1467-T1998 WeakPolarHBondContact CG-OG1 3.41Å; F1563-T1998 VanDerWaalsContact C-OG1 3.3Å; F1563-T1998 VanDerWaalsContact O-CG2 3.27Å; F1563-T1998 WeakPolarHBondContact O-CG2 3.45Å; F1563-T1998 PolarHBondContact O-OG1 3.49Å; T1564-T1998 PolarHBondContact N-OG1 3.03Å; T1564-T1998 WeakPolarHBondContact O-CB 3.35Å; T1564-T1998 PolarHBondContact O-OG1 3.42Å; Y1995-T1998 PolarHBondContact O-N 3.3Å; T1998-Q2024 VanDerWaalsContact CG2-CA 3.49Å; T1998-Q2024 HydrophobicContact CG2-CB 4.43Å; T1998-I2025 HydrophobicContact CG2-CG1 4.19Å | ||
| 1999 | C | 65.6 | Low | 66.9 | Low | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -68.2 | 152.2 | 154.4 | -92.2 | 0 | 0 | 0 | 0 | 111.5 | P1467 Y1995 D1997 E2013 I2025 | P1467-C1999 HydrophobicContact CB-CB 4.14Å; P1467-C1999 WeakPolarHBondContact CB-SG 2.91Å; Y1995-C1999 PolarHBondContact N-O 3.03Å; D1997-C1999 VanDerWaalsContact OD1-CB 3.31Å; D1997-C1999 WeakPolarHBondContact OD1-CB 3.25Å; D1997-C1999 PolarHBondContact OD1-N 2.86Å; C1999-E2013 HydrophobicContact CB-CG 4.29Å; C1999-E2013 PolarHBondContact SG-OE1 2.83Å; C1999-I2025 WeakPolarHBondContact O-CD1 3.41Å | ||
| 2000 | V | 69.7 | Low | 66.9 | Low | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.6 | 160.2 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | A1992 I1993 S2014 I2017 I2025 I2028 L2036 | A1992-V2000 HydrophobicContact CB-CG1 4.09Å; I1993-V2000 WeakPolarHBondContact O-CA 3.33Å; V2000-S2014 WeakPolarHBondContact CB-OG 3.29Å; V2000-S2014 PolarHBondContact N-OG 2.73Å; V2000-S2014 VanDerWaalsContact N-OG 3.1Å; V2000-S2014 PolarHBondContact O-N 3.17Å; V2000-I2017 HydrophobicContact CG2-CD1 3.66Å; V2000-I2025 HydrophobicContact CG2-CD1 3.72Å; V2000-I2028 HydrophobicContact CB-CD1 4.06Å; V2000-I2028 HydrophobicContact CG1-CD1 3.4Å; V2000-I2028 VanDerWaalsContact CG1-CD1 3.4Å; V2000-I2028 HydrophobicContact CG2-CD1 3.41Å; V2000-I2028 VanDerWaalsContact CG2-CD1 3.41Å; V2000-L2036 HydrophobicContact CG1-CD1 4.24Å |
| 2001 | R | 75.1 | Confident | 66.6 | Low | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129 | 175.8 | -66.2 | 178.8 | 173.2 | 92.3 | 8.3 | 110.2 | W1413 S1415 A1992 I1993 Y1995 F2003 L2010 E2013 | W1413-R2001 PolarHBondContact O-NH2 2.89Å; S1415-R2001 WeakPolarHBondContact OG-CD 3.33Å; S1415-R2001 PolarHBondContact OG-NE 2.99Å; A1992-R2001 CarbonylContact C-O 3.6Å; A1992-R2001 WeakPolarHBondContact CA-O 3.27Å; I1993-R2001 PolarHBondContact N-O 3.18Å; I1993-R2001 PolarHBondContact O-N 3.01Å; Y1995-R2001 HydrophobicContact CD2-CG 4.35Å; Y1995-R2001 VanDerWaalsContact CD2-NH1 3.35Å; Y1995-R2001 HydrophobicContact CE2-CB 3.92Å; Y1995-R2001 VanDerWaalsContact CE2-CD 3.48Å; Y1995-R2001 HydrophobicContact CE2-CG 3.8Å; R2001-F2003 HydrophobicContact CB-CD2 4.13Å; R2001-F2003 HydrophobicContact CB-CE2 3.47Å; R2001-F2003 VanDerWaalsContact CB-CE2 3.47Å; R2001-F2003 HydrophobicContact CB-CZ 4.03Å; R2001-F2003 HydrophobicContact CG-CE2 4.49Å; R2001-L2010 HydrophobicContact CB-CD1 3.88Å; R2001-L2010 HydrophobicContact CG-CD1 4.26Å; R2001-E2013 HydrophobicContact CG-CB 4.18Å; R2001-E2013 HydrophobicContact CG-CG 3.72Å; R2001-E2013 IonicContact CZ-OE1 2.74Å; R2001-E2013 IonicContact CZ-OE2 3.55Å; R2001-E2013 IonicContact NE-OE1 3.67Å; R2001-E2013 IonicContact NE-OE2 2.83Å; R2001-E2013 PolarHBondContact NE-OE2 3.06Å; R2001-E2013 VanDerWaalsContact NH2-CD 3.26Å; R2001-E2013 IonicContact NH2-OE1 2.87Å; R2001-E2013 PolarHBondContact NH2-OE1 3.16Å; R2001-E2013 IonicContact NH2-OE2 3.82Å; R2001-E2013 PolarHBondContact NH2-OE2 3.21Å |
| 2002 | L | 71.4 | Confident | 65.7 | Low | 10 Ų | 10 | 22.4 Ų | 22.4 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113.2 | 175.4 | -65.3 | 171.7 | 0 | 0 | 0 | 109.2 | L1991 A1992 V2011 S2012 F2030 L2036 | L1991-L2002 WeakPolarHBondContact O-CA 3.19Å; A1992-L2002 HydrophobicContact CB-CD2 3.7Å; L2002-V2011 WeakPolarHBondContact O-CB 3.01Å; L2002-V2011 PolarHBondContact O-N 3.34Å; L2002-S2012 WeakPolarHBondContact CA-O 3.13Å; L2002-S2012 WeakPolarHBondContact CB-O 3.1Å; L2002-S2012 PolarHBondContact N-O 2.87Å; L2002-S2012 PolarHBondContact O-N 3.12Å; L2002-F2030 HydrophobicContact CD2-CE1 4.44Å; L2002-F2030 HydrophobicContact CD2-CZ 3.91Å; L2002-L2036 HydrophobicContact CD2-CD1 4.41Å |
| 2003 | F | 73.3 | Confident | 65.5 | Low | 10 Ų | 10 | 23.3 Ų | 23.3 | 4% | 0.044 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.1 | 178 | -66.1 | -89.3 | 0 | 0 | 0 | 111.1 | I1924 L1938 C1990 L1991 I1993 R2001 C2009 L2010 | I1924-F2003 HydrophobicContact CD1-CD1 4.44Å; I1924-F2003 HydrophobicContact CD1-CD2 4.29Å; I1924-F2003 HydrophobicContact CD1-CE1 4.41Å; I1924-F2003 HydrophobicContact CD1-CE2 4.24Å; I1924-F2003 HydrophobicContact CD1-CG 4.39Å; I1924-F2003 HydrophobicContact CD1-CZ 4.3Å; L1938-F2003 HydrophobicContact CD2-CD1 4.27Å; L1938-F2003 HydrophobicContact CD2-CE1 4.27Å; C1990-F2003 WeakPolarHBondContact CA-O 2.92Å; L1991-F2003 PolarHBondContact N-O 3.15Å; L1991-F2003 PolarHBondContact O-N 3.08Å; I1993-F2003 HydrophobicContact CB-CE2 4.4Å; I1993-F2003 HydrophobicContact CD1-CD2 3.93Å; I1993-F2003 HydrophobicContact CD1-CE2 3.82Å; I1993-F2003 HydrophobicContact CG1-CD2 4.14Å; I1993-F2003 HydrophobicContact CG1-CE2 4.2Å; R2001-F2003 HydrophobicContact CB-CD2 4.13Å; R2001-F2003 HydrophobicContact CB-CE2 3.47Å; R2001-F2003 VanDerWaalsContact CB-CE2 3.47Å; R2001-F2003 HydrophobicContact CB-CZ 4.03Å; R2001-F2003 HydrophobicContact CG-CE2 4.49Å; F2003-C2009 WeakPolarHBondContact CA-O 3.05Å; F2003-L2010 HydrophobicContact CD1-CB 4.26Å; F2003-L2010 HydrophobicContact CD1-CD1 4.13Å; F2003-L2010 HydrophobicContact CE1-CB 4.15Å; F2003-L2010 HydrophobicContact CE1-CD1 3.85Å; F2003-L2010 HydrophobicContact CE2-CD1 4.35Å; F2003-L2010 HydrophobicContact CG-CD1 4.49Å; F2003-L2010 HydrophobicContact CZ-CD1 3.98Å |
| 2004 | C | 69.6 | Low | 64.7 | Low | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 112.5 | 170 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | C1964 H2006 K2007 M2008 C2009 V2011 | C1964-C2004 HydrophobicContact CB-CB 4.05Å; C2004-H2006 PolarHBondContact O-N 2.77Å; C2004-K2007 HydrophobicContact CB-CB 4.15Å; C2004-K2007 PolarHBondContact O-N 2.85Å; C2004-K2007 PolarHBondContact SG-N 3.34Å; C2004-M2008 WeakPolarHBondContact O-CA 3.49Å; C2004-M2008 PolarHBondContact O-N 3.41Å; C2004-C2009 PolarHBondContact N-O 3.01Å; C2004-V2011 HydrophobicContact CB-CG2 3.44Å; C2004-V2011 VanDerWaalsContact CB-CG2 3.44Å |
| 2005 | L | 64.6 | Low | 64.1 | Low | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30 | -178.5 | -68.6 | 175.4 | 0 | 0 | 0 | 112.4 | W1890 I1916 L1956 G1989 L1991 M2008 | W1890-L2005 HydrophobicContact CD2-CD1 4.07Å; W1890-L2005 HydrophobicContact CE3-CB 4.47Å; W1890-L2005 HydrophobicContact CE3-CD1 3.7Å; W1890-L2005 HydrophobicContact CH2-CB 3.95Å; W1890-L2005 HydrophobicContact CH2-CD1 3.97Å; W1890-L2005 HydrophobicContact CZ2-CD1 4.31Å; W1890-L2005 HydrophobicContact CZ3-CB 3.68Å; W1890-L2005 HydrophobicContact CZ3-CD1 3.66Å; W1890-L2005 HydrophobicContact CZ3-CG 4.3Å; I1916-L2005 HydrophobicContact CD1-CD1 4.05Å; I1916-L2005 HydrophobicContact CD1-CD2 3.91Å; L1956-L2005 HydrophobicContact CD1-CD1 3.52Å; G1989-L2005 PolarHBondContact O-N 3.44Å; L1991-L2005 HydrophobicContact CB-CD1 4.22Å; L1991-L2005 HydrophobicContact CB-CD2 3.87Å; L1991-L2005 HydrophobicContact CB-CG 4.01Å; L1991-L2005 HydrophobicContact CD2-CD2 4.06Å; L2005-M2008 HydrophobicContact CD2-CE 4.05Å |
| 2006 | H | 61.3 | Low | 63.6 | Low | 132 Ų | 132 | 29.2 Ų | 29.2 | 61% | 0.611 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -33.1 | 178.3 | -170.7 | 67.6 | 0 | 0 | 0 | 113.9 | C2004 | C2004-H2006 PolarHBondContact O-N 2.77Š|
| 2007 | K | 60.2 | Low | 63.3 | Low | 104 Ų | 104 | 27.2 Ų | 27.2 | 45% | 0.452 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -11.9 | 177.6 | -74.9 | -158.2 | 173.1 | -150.7 | 0 | 114.2 | G1966 C2004 C2009 | G1966-K2007 PolarHBondContact O-NZ 3.31Å; C2004-K2007 HydrophobicContact CB-CB 4.15Å; C2004-K2007 PolarHBondContact O-N 2.85Å; C2004-K2007 PolarHBondContact SG-N 3.34Å; K2007-C2009 HydrophobicContact CB-CB 4.34Å; K2007-C2009 PolarHBondContact O-N 2.92Å |
| 2008 | M | 68.9 | Low | 62.6 | Low | 28 Ų | 28 | 27 Ų | 27 | 14% | 0.138 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.6 | -169.8 | -82.8 | -80.4 | 109.8 | 0 | 0 | 113.2 | L1926 L1938 C2004 L2005 | L1926-M2008 HydrophobicContact CD1-CE 3.83Å; L1926-M2008 HydrophobicContact CD1-SD 4.41Å; L1926-M2008 HydrophobicContact CD2-CE 4.04Å; L1926-M2008 HydrophobicContact CG-CE 3.81Å; L1926-M2008 HydrophobicContact CG-SD 4.26Å; L1938-M2008 HydrophobicContact CB-SD 3.91Å; L1938-M2008 WeakPolarHBondContact CD1-O 3.09Å; L1938-M2008 WeakPolarHBondContact CD2-O 3.26Å; C2004-M2008 WeakPolarHBondContact O-CA 3.49Å; C2004-M2008 PolarHBondContact O-N 3.41Å; L2005-M2008 HydrophobicContact CD2-CE 4.05Å |
| 2009 | C | 60 | Low | 61.8 | Low | 37 Ų | 37 | 27.5 Ų | 27.5 | 25% | 0.25 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 155.1 | 179 | 77 | 0 | 0 | 0 | 0 | 111.6 | F2003 C2004 K2007 | F2003-C2009 WeakPolarHBondContact CA-O 3.05Å; C2004-C2009 PolarHBondContact N-O 3.01Å; K2007-C2009 HydrophobicContact CB-CB 4.34Å; K2007-C2009 PolarHBondContact O-N 2.92Å |
| 2010 | L | 61.6 | Low | 60.6 | Low | 49 Ų | 49 | 27.5 Ų | 27.5 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 139.4 | 163.8 | -171.3 | 62.6 | 0 | 0 | 0 | 108.7 | D1416 R2001 F2003 | D1416-L2010 WeakPolarHBondContact OD1-CD2 3.48Å; R2001-L2010 HydrophobicContact CB-CD1 3.88Å; R2001-L2010 HydrophobicContact CG-CD1 4.26Å; F2003-L2010 HydrophobicContact CD1-CB 4.26Å; F2003-L2010 HydrophobicContact CD1-CD1 4.13Å; F2003-L2010 HydrophobicContact CE1-CB 4.15Å; F2003-L2010 HydrophobicContact CE1-CD1 3.85Å; F2003-L2010 HydrophobicContact CE2-CD1 4.35Å; F2003-L2010 HydrophobicContact CG-CD1 4.49Å; F2003-L2010 HydrophobicContact CZ-CD1 3.98Å |
| 2011 | V | 60.5 | Low | 59.1 | Low | 30 Ų | 30 | 27.4 Ų | 27.4 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -44 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | C1964 L2002 C2004 I2069 | C1964-V2011 HydrophobicContact CB-CG1 4.45Å; C1964-V2011 HydrophobicContact CB-CG2 4.06Å; L2002-V2011 WeakPolarHBondContact O-CB 3.01Å; L2002-V2011 PolarHBondContact O-N 3.34Å; C2004-V2011 HydrophobicContact CB-CG2 3.44Å; C2004-V2011 VanDerWaalsContact CB-CG2 3.44Å; V2011-I2069 HydrophobicContact CG1-CD1 4.15Å |
| 2012 | S | 56.7 | Low | 57.7 | Low | 11 Ų | 11 | 27.5 Ų | 27.5 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | 148.7 | 177.3 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | L2002 | L2002-S2012 WeakPolarHBondContact CA-O 3.13Å; L2002-S2012 WeakPolarHBondContact CB-O 3.1Å; L2002-S2012 PolarHBondContact N-O 2.87Å; L2002-S2012 PolarHBondContact O-N 3.12Å |
| 2013 | E | 66.2 | Low | 56.7 | Low | 19 Ų | 19 | 27 Ų | 27 | 9% | 0.089 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.8 | 171 | 178.8 | 171.1 | 150.2 | 0 | 0 | 108.2 | S1415 D1416 K1469 C1999 R2001 | S1415-E2013 PolarHBondContact OG-OE2 3.3Å; D1416-E2013 VanDerWaalsContact OD1-CB 3.28Å; D1416-E2013 WeakPolarHBondContact OD1-CB 3.42Å; D1416-E2013 VanDerWaalsContact OD2-CB 3.29Å; D1416-E2013 WeakPolarHBondContact OD2-CB 2.84Å; K1469-E2013 VanDerWaalsContact CE-OE1 3.28Å; K1469-E2013 WeakPolarHBondContact CE-OE1 3.32Å; K1469-E2013 IonicContact NZ-OE1 2.7Å; K1469-E2013 PolarHBondContact NZ-OE1 2.92Å; K1469-E2013 IonicContact NZ-OE2 2.7Å; C1999-E2013 HydrophobicContact CB-CG 4.29Å; C1999-E2013 PolarHBondContact SG-OE1 2.83Å; R2001-E2013 HydrophobicContact CG-CB 4.18Å; R2001-E2013 HydrophobicContact CG-CG 3.72Å; R2001-E2013 IonicContact CZ-OE1 2.74Å; R2001-E2013 IonicContact CZ-OE2 3.55Å; R2001-E2013 IonicContact NE-OE1 3.67Å; R2001-E2013 IonicContact NE-OE2 2.83Å; R2001-E2013 PolarHBondContact NE-OE2 3.06Å; R2001-E2013 VanDerWaalsContact NH2-CD 3.26Å; R2001-E2013 IonicContact NH2-OE1 2.87Å; R2001-E2013 PolarHBondContact NH2-OE1 3.16Å; R2001-E2013 IonicContact NH2-OE2 3.82Å; R2001-E2013 PolarHBondContact NH2-OE2 3.21Å |
| 2014 | S | 57.8 | Low | 56.2 | Low | 5 Ų | 5 | 28.2 Ų | 28.2 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 145.2 | 174.4 | 75.7 | 0 | 0 | 0 | 0 | 109.7 | V2000 R2016 | V2000-S2014 WeakPolarHBondContact CB-OG 3.29Å; V2000-S2014 PolarHBondContact N-OG 2.73Å; V2000-S2014 VanDerWaalsContact N-OG 3.1Å; V2000-S2014 PolarHBondContact O-N 3.17Å; S2014-R2016 PolarHBondContact O-N 2.6Å |
| 2015 | E | 52.8 | Low | 56 | Low | 113 Ų | 113 | 28.2 Ų | 28.2 | 53% | 0.528 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -51.6 | 146 | 156.7 | -72.1 | -172.1 | -159.5 | 0 | 0 | 109.7 | N1468 I2017 | N1468-E2015 HydrophobicContact CB-CB 4.32Å; N1468-E2015 HydrophobicContact CB-CG 4.47Å; E2015-I2017 WeakPolarHBondContact O-CA 3.11Å; E2015-I2017 WeakPolarHBondContact O-CG1 3.5Å; E2015-I2017 PolarHBondContact O-N 3.15Å |
| 2016 | R | 57.1 | Low | 56 | Low | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 129.8 | 169.7 | -82.4 | 68.8 | -168.3 | -35.4 | 33.1 | 106.1 | L1465 P1467 D1997 S2014 L2018 P2019 | L1465-R2016 PolarHBondContact O-NH1 3.42Å; P1467-R2016 HydrophobicContact CB-CB 2.3Å; P1467-R2016 HydrophobicContact CB-CG 2.28Å; P1467-R2016 HydrophobicContact CG-CB 2.27Å; P1467-R2016 HydrophobicContact CG-CG 2.3Å; P1467-R2016 VanDerWaalsContact N-CD 3.26Å; P1467-R2016 PolarHBondContact O-N 2.84Å; D1997-R2016 WeakPolarHBondContact O-CG 3.39Å; D1997-R2016 PolarHBondContact O-NH1 3.41Å; D1997-R2016 WeakPolarHBondContact OD2-CD 3.47Å; D1997-R2016 IonicContact OD2-CZ 3.32Å; D1997-R2016 IonicContact OD2-NE 2.73Å; D1997-R2016 PolarHBondContact OD2-NE 3.05Å; D1997-R2016 IonicContact OD2-NH2 3.34Å; S2014-R2016 PolarHBondContact O-N 2.6Å; R2016-L2018 PolarHBondContact O-N 3.2Å; R2016-P2019 WeakPolarHBondContact O-CD 3.36Å |
| 2017 | I | 53.6 | Low | 56.3 | Low | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -77.4 | -29.7 | -143.1 | -27.4 | 172.3 | 0 | 0 | 0 | 110.2 | I1565 D1566 V2000 E2015 L2048 R2073 | I1565-I2017 CarbonylContact C-O 3.33Å; I1565-I2017 VanDerWaalsContact C-O 3.29Å; I1565-I2017 HydrophobicContact CB-CB 3.94Å; I1565-I2017 HydrophobicContact CD1-CD1 3.93Å; I1565-I2017 HydrophobicContact CG1-CB 3.93Å; I1565-I2017 HydrophobicContact CG1-CD1 3.7Å; I1565-I2017 HydrophobicContact CG1-CG1 4.02Å; I1565-I2017 HydrophobicContact CG2-CB 3.95Å; I1565-I2017 HydrophobicContact CG2-CD1 4.4Å; I1565-I2017 HydrophobicContact CG2-CG2 4.18Å; I1565-I2017 CarbonylContact O-C 3.11Å; I1565-I2017 WeakPolarHBondContact O-CA 3.46Å; I1565-I2017 WeakPolarHBondContact O-CB 3.32Å; I1565-I2017 VanDerWaalsContact O-CG2 3.23Å; I1565-I2017 WeakPolarHBondContact O-CG2 2.99Å; D1566-I2017 CarbonylContact C-O 3.57Å; D1566-I2017 WeakPolarHBondContact CA-O 3.1Å; D1566-I2017 PolarHBondContact N-O 3.3Å; V2000-I2017 HydrophobicContact CG2-CD1 3.66Å; E2015-I2017 WeakPolarHBondContact O-CA 3.11Å; E2015-I2017 WeakPolarHBondContact O-CG1 3.5Å; E2015-I2017 PolarHBondContact O-N 3.15Å; I2017-L2048 HydrophobicContact CD1-CD1 3.81Å; I2017-L2048 HydrophobicContact CG2-CD1 3.97Å; I2017-L2048 HydrophobicContact CG2-CD2 3.21Å; I2017-L2048 HydrophobicContact CG2-CG 3.93Å; I2017-R2073 VanDerWaalsContact O-CD 3.28Å; I2017-R2073 WeakPolarHBondContact O-CD 3.37Å; I2017-R2073 VanDerWaalsContact O-CZ 3.22Å; I2017-R2073 PolarHBondContact O-NE 3.48Å; I2017-R2073 PolarHBondContact O-NH1 2.96Å |
| 2018 | L | 46.9 | Very low | 57.1 | Low | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | cis | 121.4 | 44.8 | -34.2 | 90.3 | -175.5 | 0 | 0 | 0 | 104.6 | T1564 I1565 D1566 S1567 G1611 N1612 R2016 Q2020 L2021 L2044 | T1564-L2018 CarbonylContact C-O 3.49Å; T1564-L2018 HydrophobicContact CG2-CB 4.12Å; T1564-L2018 HydrophobicContact CG2-CD1 3.63Å; T1564-L2018 HydrophobicContact CG2-CG 3.49Å; T1564-L2018 VanDerWaalsContact CG2-CG 3.49Å; T1564-L2018 PolarHBondContact N-O 3.04Å; T1564-L2018 VanDerWaalsContact O-CA 3.28Å; T1564-L2018 WeakPolarHBondContact O-CA 3.28Å; T1564-L2018 WeakPolarHBondContact OG1-CB 3.14Å; T1564-L2018 PolarHBondContact OG1-O 3.45Å; T1564-L2018 VanDerWaalsContact OG1-O 3.08Å; I1565-L2018 HydrophobicContact CB-CD2 3.94Å; I1565-L2018 HydrophobicContact CB-CG 4.27Å; I1565-L2018 VanDerWaalsContact N-CD2 3.33Å; I1565-L2018 PolarHBondContact O-N 2.68Å; D1566-L2018 HydrophobicContact CB-CB 4.1Å; D1566-L2018 HydrophobicContact CB-CD1 4.12Å; D1566-L2018 HydrophobicContact CB-CD2 3.68Å; D1566-L2018 HydrophobicContact CB-CG 4.07Å; S1567-L2018 VanDerWaalsContact N-C 3.33Å; S1567-L2018 VanDerWaalsContact N-CA 3.33Å; S1567-L2018 VanDerWaalsContact N-N 3.14Å; G1611-L2018 WeakPolarHBondContact O-CD2 3.4Å; N1612-L2018 WeakPolarHBondContact OD1-CD1 2.96Å; R2016-L2018 PolarHBondContact O-N 3.2Å; L2018-Q2020 HydrophobicContact CB-CB 4.43Å; L2018-Q2020 HydrophobicContact CD1-CB 3.02Å; L2018-Q2020 HydrophobicContact CD1-CG 4.34Å; L2018-Q2020 HydrophobicContact CG-CB 4.36Å; L2018-L2021 HydrophobicContact CD1-CD1 3.92Å; L2018-L2044 HydrophobicContact CD2-CD1 4.26Å | ||
| 2019 | P | 45.2 | Very low | 57.4 | Low | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.071 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -61.8 | -9.2 | 134.1 | 1.2 | -1.5 | 0 | 0 | 0 | 121.4 | N1468 D1566 S1567 R1568 Y1569 V1586 R2016 | N1468-P2019 HydrophobicContact CB-CG 4.43Å; D1566-P2019 WeakPolarHBondContact O-CD 3.18Å; S1567-P2019 CarbonylContact C-O 3.53Å; S1567-P2019 WeakPolarHBondContact O-CB 3.09Å; S1567-P2019 WeakPolarHBondContact O-CG 3.09Å; S1567-P2019 VanDerWaalsContact OG-CB 3.22Å; S1567-P2019 WeakPolarHBondContact OG-CB 3.35Å; S1567-P2019 WeakPolarHBondContact OG-CD 3.45Å; S1567-P2019 WeakPolarHBondContact OG-CG 3.38Å; R1568-P2019 CarbonylContact C-O 3.59Å; R1568-P2019 VanDerWaalsContact C-O 3.26Å; R1568-P2019 WeakPolarHBondContact CA-O 3.45Å; R1568-P2019 VanDerWaalsContact N-CA 3.35Å; R1568-P2019 PolarHBondContact N-O 3.38Å; Y1569-P2019 PolarHBondContact N-O 2.56Å; V1586-P2019 HydrophobicContact CG2-CB 4.2Å; V1586-P2019 WeakPolarHBondContact CG2-O 3.47Å; R2016-P2019 WeakPolarHBondContact O-CD 3.36Å |
| 2020 | Q | 40.3 | Very low | 57.8 | Low | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -79.4 | -107.3 | -165.3 | -148 | 179.3 | 7 | 0 | 0 | 113.3 | T1564 S1567 R1568 Y1569 L1570 L2018 | T1564-Q2020 PolarHBondContact OG1-N 3.2Å; S1567-Q2020 VanDerWaalsContact CA-N 3.28Å; S1567-Q2020 VanDerWaalsContact N-N 3.16Å; R1568-Q2020 HydrophobicContact CB-CB 3.91Å; R1568-Q2020 HydrophobicContact CB-CG 3.48Å; R1568-Q2020 VanDerWaalsContact CB-CG 3.48Å; R1568-Q2020 VanDerWaalsContact N-CB 3.34Å; Y1569-Q2020 CarbonylContact C-O 3.46Å; Y1569-Q2020 WeakPolarHBondContact CA-O 3.08Å; Y1569-Q2020 WeakPolarHBondContact CB-O 3.23Å; Y1569-Q2020 HydrophobicContact CD1-CG 3.68Å; Y1569-Q2020 HydrophobicContact CD2-CG 3.55Å; Y1569-Q2020 HydrophobicContact CE1-CG 4.22Å; Y1569-Q2020 HydrophobicContact CE2-CG 4.09Å; Y1569-Q2020 HydrophobicContact CG-CG 3.3Å; Y1569-Q2020 PolarHBondContact N-O 2.73Å; Y1569-Q2020 PolarHBondContact OH-NE2 3.49Å; L1570-Q2020 PolarHBondContact N-O 3.48Å; L2018-Q2020 HydrophobicContact CB-CB 4.43Å; L2018-Q2020 HydrophobicContact CD1-CB 3.02Å; L2018-Q2020 HydrophobicContact CD1-CG 4.34Å; L2018-Q2020 HydrophobicContact CG-CB 4.36Å |
| 2021 | L | 37.9 | Very low | 57.8 | Low | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -76.5 | -149.6 | -169.8 | -50.8 | 99.5 | 0 | 0 | 0 | 108.1 | T1564 Y1569 I1571 L1583 N1612 F1643 I1645 L2018 | T1564-L2021 WeakPolarHBondContact CB-O 3.12Å; T1564-L2021 HydrophobicContact CG2-CB 4.14Å; T1564-L2021 VanDerWaalsContact CG2-O 3.27Å; T1564-L2021 WeakPolarHBondContact CG2-O 3.02Å; T1564-L2021 PolarHBondContact OG1-N 3.45Å; T1564-L2021 PolarHBondContact OG1-O 2.91Å; Y1569-L2021 HydrophobicContact CD2-CD1 4.49Å; Y1569-L2021 HydrophobicContact CD2-CD2 3.59Å; Y1569-L2021 HydrophobicContact CD2-CG 3.82Å; Y1569-L2021 HydrophobicContact CE2-CD2 3.91Å; Y1569-L2021 HydrophobicContact CE2-CG 4.48Å; I1571-L2021 HydrophobicContact CD1-CB 4.16Å; I1571-L2021 HydrophobicContact CG1-CB 4.44Å; L1583-L2021 HydrophobicContact CD1-CB 3.75Å; L1583-L2021 HydrophobicContact CD1-CD2 3.41Å; L1583-L2021 VanDerWaalsContact CD1-CD2 3.41Å; L1583-L2021 HydrophobicContact CD1-CG 3.76Å; L1583-L2021 HydrophobicContact CD2-CD2 3.59Å; L1583-L2021 HydrophobicContact CG-CD2 4.09Å; N1612-L2021 WeakPolarHBondContact ND2-CD1 3.37Å; N1612-L2021 VanDerWaalsContact OD1-CD1 3.31Å; N1612-L2021 WeakPolarHBondContact OD1-CD1 3.48Å; F1643-L2021 HydrophobicContact CD1-CD2 3.9Å; F1643-L2021 HydrophobicContact CE1-CB 4.22Å; F1643-L2021 HydrophobicContact CE1-CD1 4.2Å; F1643-L2021 HydrophobicContact CE1-CD2 3.03Å; F1643-L2021 HydrophobicContact CE1-CG 3.9Å; F1643-L2021 HydrophobicContact CE2-CD1 4.43Å; F1643-L2021 HydrophobicContact CE2-CD2 4.28Å; F1643-L2021 HydrophobicContact CZ-CB 4.31Å; F1643-L2021 HydrophobicContact CZ-CD1 3.65Å; F1643-L2021 HydrophobicContact CZ-CD2 3.34Å; F1643-L2021 HydrophobicContact CZ-CG 3.88Å; I1645-L2021 HydrophobicContact CD1-CD1 3.91Å; L2018-L2021 HydrophobicContact CD1-CD1 3.92Å |
| 2022 | D | 46.3 | Very low | 57.5 | Low | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | trans | -137.3 | 104.5 | 178.3 | -101.9 | 15.7 | 0 | 0 | 0 | 110.8 | T1562 F1563 L1570 I1571 R2041 | T1562-D2022 VanDerWaalsContact C-OD1 3.27Å; T1562-D2022 HydrophobicContact CG2-CB 4.19Å; T1562-D2022 VanDerWaalsContact N-CG 3.34Å; T1562-D2022 PolarHBondContact N-OD2 3.23Å; T1562-D2022 CarbonylContact O-C 2.72Å; T1562-D2022 WeakPolarHBondContact O-CA 3.31Å; T1562-D2022 WeakPolarHBondContact O-CB 3.35Å; F1563-D2022 WeakPolarHBondContact CA-OD1 3.29Å; F1563-D2022 PolarHBondContact N-OD1 3.26Å; L1570-D2022 WeakPolarHBondContact CA-OD1 2.99Å; L1570-D2022 WeakPolarHBondContact CD1-OD1 3.32Å; L1570-D2022 VanDerWaalsContact CD1-OD2 3.22Å; L1570-D2022 WeakPolarHBondContact CD1-OD2 3.41Å; L1570-D2022 WeakPolarHBondContact CG-OD2 3.31Å; I1571-D2022 HydrophobicContact CB-CB 3.45Å; I1571-D2022 VanDerWaalsContact CB-CB 3.45Å; I1571-D2022 HydrophobicContact CD1-CB 4.1Å; I1571-D2022 VanDerWaalsContact CD1-N 3.27Å; I1571-D2022 HydrophobicContact CG1-CB 3.77Å; I1571-D2022 PolarHBondContact N-OD1 3.22Å; I1571-D2022 PolarHBondContact N-OD2 3.16Å; D2022-R2041 WeakPolarHBondContact O-CD 3.27Å | ||
| 2023 | D | 50.5 | Low | 57.6 | Low | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -156.8 | 102.1 | -153.3 | -55.1 | 16.3 | 0 | 0 | 0 | 112.7 | T1562 F1563 T1564 N1612 I2025 T2040 R2041 N2042 | T1562-D2023 PolarHBondContact O-N 3.21Å; F1563-D2023 CarbonylContact O-C 2.7Å; F1563-D2023 PolarHBondContact O-N 3.44Å; T1564-D2023 VanDerWaalsContact CA-O 3.29Å; T1564-D2023 WeakPolarHBondContact CA-O 3.47Å; T1564-D2023 HydrophobicContact CG2-CB 3.16Å; T1564-D2023 VanDerWaalsContact CG2-OD1 3.3Å; T1564-D2023 WeakPolarHBondContact CG2-OD1 2.91Å; T1564-D2023 WeakPolarHBondContact CG2-OD2 3.23Å; N1612-D2023 WeakPolarHBondContact CA-OD2 3.45Å; N1612-D2023 PolarHBondContact OD1-OD2 2.68Å; D2023-I2025 PolarHBondContact O-N 3.44Å; D2023-T2040 HydrophobicContact CB-CG2 4.18Å; D2023-T2040 VanDerWaalsContact CB-OG1 3.25Å; D2023-T2040 WeakPolarHBondContact CB-OG1 2.97Å; D2023-T2040 WeakPolarHBondContact O-CB 3.4Å; D2023-T2040 WeakPolarHBondContact O-CG2 3.17Å; D2023-T2040 PolarHBondContact OD2-OG1 3.26Å; D2023-R2041 HydrophobicContact CB-CB 3.15Å; D2023-R2041 HydrophobicContact CB-CG 4.36Å; D2023-R2041 VanDerWaalsContact CB-N 3.25Å; D2023-R2041 VanDerWaalsContact CG-C 3.44Å; D2023-R2041 VanDerWaalsContact CG-CA 3.45Å; D2023-R2041 VanDerWaalsContact OD2-C 3.32Å; D2023-R2041 WeakPolarHBondContact OD2-CA 3.41Å; D2023-R2041 PolarHBondContact OD2-N 2.95Å; D2023-N2042 PolarHBondContact OD1-ND2 2.83Å; D2023-N2042 PolarHBondContact OD2-ND2 2.98Å | ||
| 2024 | Q | 61.6 | Low | 57.2 | Low | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 11% | 0.105 | C | C | . | . | trans | -59.7 | 144.3 | 178.8 | -58.9 | 152.3 | 2.9 | 0 | 0 | 110.7 | T1562 I1604 C1606 T1998 T2040 | T1562-Q2024 WeakPolarHBondContact OG1-CG 3.43Å; T1562-Q2024 PolarHBondContact OG1-NE2 3.18Å; I1604-Q2024 PolarHBondContact O-OE1 3.09Å; C1606-Q2024 WeakPolarHBondContact CB-O 3.42Å; C1606-Q2024 VanDerWaalsContact SG-CB 3.51Å; C1606-Q2024 PolarHBondContact SG-N 2.96Å; C1606-Q2024 PolarHBondContact SG-O 3.1Å; T1998-Q2024 VanDerWaalsContact CG2-CA 3.49Å; T1998-Q2024 HydrophobicContact CG2-CB 4.43Å; Q2024-T2040 WeakPolarHBondContact O-CA 3.41Å; Q2024-T2040 WeakPolarHBondContact O-CB 3.19Å | ||
| 2025 | I | 66.8 | Low | 57.5 | Low | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -56.1 | 142.3 | 157.9 | -57.4 | 156.8 | 0 | 0 | 0 | 106.6 | I1565 V1952 A1994 T1998 C1999 V2000 D2023 I2028 V2038 G2039 | I1565-I2025 HydrophobicContact CD1-CG1 3.76Å; I1565-I2025 HydrophobicContact CG1-CG1 4.29Å; V1952-I2025 WeakPolarHBondContact CG1-O 3.38Å; A1994-I2025 HydrophobicContact CB-CB 3.89Å; A1994-I2025 HydrophobicContact CB-CD1 3.68Å; A1994-I2025 HydrophobicContact CB-CG1 4.38Å; A1994-I2025 HydrophobicContact CB-CG2 3.52Å; T1998-I2025 HydrophobicContact CG2-CG1 4.19Å; C1999-I2025 WeakPolarHBondContact O-CD1 3.41Å; V2000-I2025 HydrophobicContact CG2-CD1 3.72Å; D2023-I2025 PolarHBondContact O-N 3.44Å; I2025-I2028 HydrophobicContact CG2-CB 4.25Å; I2025-V2038 HydrophobicContact CG1-CG1 4.35Å; I2025-V2038 HydrophobicContact CG2-CG1 3.71Å; I2025-G2039 WeakPolarHBondContact CA-O 3.08Å | ||
| 2026 | T | 64.3 | Low | 58.3 | Low | 13 Ų | 13 | 18.2 Ų | 18.2 | 8% | 0.08 | 9% | 0.088 | C | C | . | . | trans | -135 | -17.7 | 178.6 | 28.2 | 0 | 0 | 0 | 0 | 117.3 | L1605 C1606 S1607 P1608 G2039 | L1605-T2026 HydrophobicContact CD2-CG2 4.02Å; C1606-T2026 HydrophobicContact CB-CG2 3.62Å; C1606-T2026 VanDerWaalsContact CB-OG1 3.23Å; C1606-T2026 WeakPolarHBondContact CB-OG1 3.1Å; C1606-T2026 PolarHBondContact O-OG1 3.34Å; S1607-T2026 PolarHBondContact O-OG1 2.87Å; P1608-T2026 VanDerWaalsContact CA-OG1 3.27Å; P1608-T2026 WeakPolarHBondContact CA-OG1 3.48Å; T2026-G2039 PolarHBondContact N-O 2.8Å | ||
| 2027 | V | 66.2 | Low | 59.1 | Low | 29 Ų | 29 | 18 Ų | 18 | 18% | 0.176 | 9% | 0.087 | C | C | . | . | trans | -142.5 | 155.7 | 142.6 | -65.6 | 0 | 0 | 0 | 0 | 104.7 | P1608 D1953 R2029 | P1608-V2027 VanDerWaalsContact CA-N 3.32Å; P1608-V2027 HydrophobicContact CB-CB 3.47Å; P1608-V2027 VanDerWaalsContact CB-CB 3.47Å; P1608-V2027 HydrophobicContact CB-CG1 3.69Å; D1953-V2027 WeakPolarHBondContact OD2-CA 3.09Å; D1953-V2027 WeakPolarHBondContact OD2-CG2 3.42Å; V2027-R2029 HydrophobicContact CG2-CG 4.13Å | ||
| 2028 | I | 78.7 | Confident | 59.9 | Low | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 140.5 | 165.9 | 175.9 | 159.5 | 0 | 0 | 0 | 109.9 | D1953 C1955 A1992 A1994 V2000 I2025 L2036 V2038 | D1953-I2028 WeakPolarHBondContact OD2-CG2 3.27Å; D1953-I2028 PolarHBondContact OD2-N 2.84Å; C1955-I2028 HydrophobicContact CB-CG2 3.85Å; C1955-I2028 WeakPolarHBondContact CB-O 3.34Å; C1955-I2028 PolarHBondContact SG-O 2.92Å; C1955-I2028 VanDerWaalsContact SG-O 3.4Å; A1992-I2028 HydrophobicContact CB-CD1 4.27Å; A1994-I2028 HydrophobicContact CB-CG2 4.03Å; V2000-I2028 HydrophobicContact CB-CD1 4.06Å; V2000-I2028 HydrophobicContact CG1-CD1 3.4Å; V2000-I2028 VanDerWaalsContact CG1-CD1 3.4Å; V2000-I2028 HydrophobicContact CG2-CD1 3.41Å; V2000-I2028 VanDerWaalsContact CG2-CD1 3.41Å; I2025-I2028 HydrophobicContact CG2-CB 4.25Å; I2028-L2036 HydrophobicContact CD1-CD1 4.13Å; I2028-L2036 HydrophobicContact CD1-CD2 3.76Å; I2028-L2036 HydrophobicContact CD1-CG 4.47Å; I2028-L2036 HydrophobicContact CG1-CD2 3.58Å; I2028-V2038 HydrophobicContact CB-CG1 4.07Å; I2028-V2038 HydrophobicContact CD1-CG1 4.33Å; I2028-V2038 HydrophobicContact CD1-CG2 4.22Å; I2028-V2038 HydrophobicContact CG1-CG1 4.16Å; I2028-V2038 HydrophobicContact CG1-CG2 4.23Å |
| 2029 | R | 74.9 | Confident | 60.9 | Low | 95 Ų | 95 | 17.9 Ų | 17.9 | 36% | 0.358 | 9% | 0.086 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.2 | 176.3 | -74.5 | -66.1 | 170.5 | 171.6 | -6.7 | 113 | V2027 L2036 I2037 L2091 | V2027-R2029 HydrophobicContact CG2-CG 4.13Å; R2029-L2036 WeakPolarHBondContact O-CD2 3.41Å; R2029-I2037 HydrophobicContact CB-CG2 4.38Å; R2029-I2037 PolarHBondContact N-O 3.17Å; R2029-I2037 VanDerWaalsContact N-O 3.11Å; R2029-I2037 PolarHBondContact O-N 3.39Å; R2029-L2091 HydrophobicContact CB-CD1 4.48Å |
| 2030 | F | 68 | Low | 61.9 | Low | 15 Ų | 15 | 17.3 Ų | 17.3 | 7% | 0.066 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 124.2 | 169.8 | -72.1 | -84.1 | 0 | 0 | 0 | 110.3 | L1956 L1957 Y1959 A1992 L2002 L2036 I2050 | L1956-F2030 VanDerWaalsContact O-CD2 3.31Å; L1956-F2030 WeakPolarHBondContact O-CD2 3.28Å; L1957-F2030 HydrophobicContact CB-CD2 4.2Å; L1957-F2030 HydrophobicContact CB-CE1 4.39Å; L1957-F2030 HydrophobicContact CB-CE2 3.89Å; L1957-F2030 HydrophobicContact CB-CZ 3.98Å; L1957-F2030 HydrophobicContact CD1-CB 4.15Å; L1957-F2030 HydrophobicContact CD1-CD1 3.44Å; L1957-F2030 VanDerWaalsContact CD1-CD1 3.44Å; L1957-F2030 HydrophobicContact CD1-CD2 4.12Å; L1957-F2030 HydrophobicContact CD1-CE1 3.74Å; L1957-F2030 HydrophobicContact CD1-CE2 4.37Å; L1957-F2030 HydrophobicContact CD1-CG 3.64Å; L1957-F2030 HydrophobicContact CD1-CZ 4.19Å; Y1959-F2030 HydrophobicContact CD2-CB 4.12Å; Y1959-F2030 HydrophobicContact CE2-CB 3.94Å; A1992-F2030 HydrophobicContact CB-CE2 3.85Å; A1992-F2030 HydrophobicContact CB-CZ 3.85Å; L2002-F2030 HydrophobicContact CD2-CE1 4.44Å; L2002-F2030 HydrophobicContact CD2-CZ 3.91Å; F2030-L2036 HydrophobicContact CB-CD2 4.45Å; F2030-L2036 HydrophobicContact CD1-CD1 4.5Å; F2030-L2036 HydrophobicContact CD1-CD2 3.49Å; F2030-L2036 VanDerWaalsContact CD1-CD2 3.49Å; F2030-L2036 HydrophobicContact CD1-CG 3.67Å; F2030-L2036 HydrophobicContact CD2-CD2 3.96Å; F2030-L2036 HydrophobicContact CE1-CD1 3.93Å; F2030-L2036 HydrophobicContact CE1-CD2 3.58Å; F2030-L2036 HydrophobicContact CE1-CG 3.59Å; F2030-L2036 HydrophobicContact CE2-CD2 4.03Å; F2030-L2036 HydrophobicContact CG-CD2 3.7Å; F2030-L2036 HydrophobicContact CG-CG 4.38Å; F2030-L2036 HydrophobicContact CZ-CD1 4.32Å; F2030-L2036 HydrophobicContact CZ-CD2 3.86Å; F2030-L2036 HydrophobicContact CZ-CG 4.25Å; F2030-I2050 HydrophobicContact CD1-CD1 4.45Å; F2030-I2050 HydrophobicContact CE1-CD1 4.04Å |
| 2031 | F | 61.4 | Low | 62.8 | Low | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -34 | 173.8 | 173.6 | -113.4 | 0 | 0 | 0 | 110.9 | Y1959 Y2035 I2037 L2047 T2093 W2132 L2148 | Y1959-F2031 PolarHBondContact OH-O 2.83Å; F2031-Y2035 WeakPolarHBondContact CB-O 3.21Å; F2031-Y2035 PolarHBondContact N-O 3.48Å; F2031-I2037 HydrophobicContact CB-CB 3.99Å; F2031-I2037 HydrophobicContact CB-CG2 3.86Å; F2031-L2047 HydrophobicContact CB-CD1 4.41Å; F2031-L2047 HydrophobicContact CD1-CD1 3.77Å; F2031-L2047 HydrophobicContact CE1-CD1 4.28Å; F2031-L2047 HydrophobicContact CG-CD1 4.22Å; F2031-T2093 HydrophobicContact CD2-CG2 3.77Å; F2031-W2132 HydrophobicContact CE1-CD2 4.18Å; F2031-W2132 AromaticContact CE1-CE3 3.49Å; F2031-W2132 HydrophobicContact CE1-CE3 3.49Å; F2031-W2132 VanDerWaalsContact CE1-CE3 3.49Å; F2031-W2132 AromaticContact CE1-CZ3 3.95Å; F2031-W2132 HydrophobicContact CE1-CZ3 3.95Å; F2031-W2132 HydrophobicContact CE2-CB 4.3Å; F2031-W2132 HydrophobicContact CZ-CB 3.67Å; F2031-W2132 HydrophobicContact CZ-CD2 4.1Å; F2031-W2132 AromaticContact CZ-CE3 3.71Å; F2031-W2132 HydrophobicContact CZ-CE3 3.71Å; F2031-W2132 HydrophobicContact CZ-CG 4.16Å; F2031-L2148 HydrophobicContact CD2-CD1 4.36Å; F2031-L2148 HydrophobicContact CE1-CD1 4.3Å; F2031-L2148 HydrophobicContact CE2-CD1 3.54Å; F2031-L2148 HydrophobicContact CZ-CB 3.87Å; F2031-L2148 HydrophobicContact CZ-CD1 3.49Å; F2031-L2148 VanDerWaalsContact CZ-CD1 3.49Å; F2031-L2148 HydrophobicContact CZ-CG 4.32Å |
| 2032 | S | 55.1 | Low | 63.9 | Low | 20 Ų | 20 | 17.5 Ų | 17.5 | 14% | 0.14 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 173.7 | 169.2 | 92.9 | 0 | 0 | 0 | 0 | 109.3 | H2034 Y2035 | S2032-H2034 PolarHBondContact O-N 2.8Å; S2032-H2034 VanDerWaalsContact O-N 3.15Å; S2032-H2034 PolarHBondContact OG-N 3.23Å; S2032-Y2035 PolarHBondContact N-O 2.92Å; S2032-Y2035 PolarHBondContact O-N 3.24Å; S2032-Y2035 VanDerWaalsContact O-N 3.12Å; S2032-Y2035 PolarHBondContact OG-N 2.71Å |
| 2033 | P | 57.5 | Low | 64.5 | Low | 32 Ų | 32 | 17.5 Ų | 17.5 | 21% | 0.208 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.6 | 175.1 | 25.4 | -33.9 | 0 | 0 | 0 | 113.7 | V1962 | V1962-P2033 HydrophobicContact CG2-CB 3.78Š|
| 2034 | H | 57.6 | Low | 64.9 | Low | 70 Ų | 70 | 17.6 Ų | 17.6 | 32% | 0.324 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 1.5 | 176.8 | -71.8 | -61.4 | 0 | 0 | 0 | 114 | S2032 S2049 I2050 | S2032-H2034 PolarHBondContact O-N 2.8Å; S2032-H2034 VanDerWaalsContact O-N 3.15Å; S2032-H2034 PolarHBondContact OG-N 3.23Å; H2034-S2049 CarbonylContact O-C 3.3Å; H2034-S2049 WeakPolarHBondContact O-CA 2.71Å; H2034-I2050 PolarHBondContact ND1-O 2.99Å; H2034-I2050 PolarHBondContact O-N 2.93Å |
| 2035 | Y | 64.5 | Low | 65.1 | Low | 46 Ų | 46 | 16.5 Ų | 16.5 | 18% | 0.18 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 127.3 | -176.9 | -68 | -93.4 | 0 | 0 | 0 | 113.4 | F2031 S2032 L2047 L2048 S2049 | F2031-Y2035 WeakPolarHBondContact CB-O 3.21Å; F2031-Y2035 PolarHBondContact N-O 3.48Å; S2032-Y2035 PolarHBondContact N-O 2.92Å; S2032-Y2035 PolarHBondContact O-N 3.24Å; S2032-Y2035 VanDerWaalsContact O-N 3.12Å; S2032-Y2035 PolarHBondContact OG-N 2.71Å; Y2035-L2047 HydrophobicContact CD1-CD1 4.46Å; Y2035-L2047 HydrophobicContact CD1-CD2 3.8Å; Y2035-L2047 HydrophobicContact CD1-CG 3.95Å; Y2035-L2047 HydrophobicContact CE1-CD2 4.22Å; Y2035-L2048 CarbonylContact C-O 3.44Å; Y2035-L2048 WeakPolarHBondContact CA-O 3.13Å; Y2035-L2048 WeakPolarHBondContact CB-O 3.28Å; Y2035-L2048 WeakPolarHBondContact CD1-O 3.06Å; Y2035-S2049 VanDerWaalsContact CE1-OG 3.26Å; Y2035-S2049 WeakPolarHBondContact CE1-OG 3.3Å |
| 2036 | L | 70.2 | Confident | 65 | Low | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.016 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 144.6 | 170.5 | -90.2 | 163.1 | 0 | 0 | 0 | 109.4 | V2000 L2002 I2028 R2029 F2030 V2038 L2048 I2050 | V2000-L2036 HydrophobicContact CG1-CD1 4.24Å; L2002-L2036 HydrophobicContact CD2-CD1 4.41Å; I2028-L2036 HydrophobicContact CD1-CD1 4.13Å; I2028-L2036 HydrophobicContact CD1-CD2 3.76Å; I2028-L2036 HydrophobicContact CD1-CG 4.47Å; I2028-L2036 HydrophobicContact CG1-CD2 3.58Å; R2029-L2036 WeakPolarHBondContact O-CD2 3.41Å; F2030-L2036 HydrophobicContact CB-CD2 4.45Å; F2030-L2036 HydrophobicContact CD1-CD1 4.5Å; F2030-L2036 HydrophobicContact CD1-CD2 3.49Å; F2030-L2036 VanDerWaalsContact CD1-CD2 3.49Å; F2030-L2036 HydrophobicContact CD1-CG 3.67Å; F2030-L2036 HydrophobicContact CD2-CD2 3.96Å; F2030-L2036 HydrophobicContact CE1-CD1 3.93Å; F2030-L2036 HydrophobicContact CE1-CD2 3.58Å; F2030-L2036 HydrophobicContact CE1-CG 3.59Å; F2030-L2036 HydrophobicContact CE2-CD2 4.03Å; F2030-L2036 HydrophobicContact CG-CD2 3.7Å; F2030-L2036 HydrophobicContact CG-CG 4.38Å; F2030-L2036 HydrophobicContact CZ-CD1 4.32Å; F2030-L2036 HydrophobicContact CZ-CD2 3.86Å; F2030-L2036 HydrophobicContact CZ-CG 4.25Å; L2036-V2038 HydrophobicContact CB-CG2 4.42Å; L2036-L2048 HydrophobicContact CB-CB 3.92Å; L2036-L2048 HydrophobicContact CB-CD1 4.23Å; L2036-L2048 PolarHBondContact N-O 3.39Å; L2036-L2048 PolarHBondContact O-N 2.75Å; L2036-I2050 HydrophobicContact CB-CD1 4.5Å; L2036-I2050 HydrophobicContact CD1-CD1 3.91Å; L2036-I2050 HydrophobicContact CG-CD1 3.94Å |
| 2037 | I | 73.2 | Confident | 65 | Low | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.5 | 176.3 | -159.3 | 168.7 | 0 | 0 | 0 | 108.6 | R2029 F2031 L2045 L2047 L2091 T2093 L2148 | R2029-I2037 HydrophobicContact CB-CG2 4.38Å; R2029-I2037 PolarHBondContact N-O 3.17Å; R2029-I2037 VanDerWaalsContact N-O 3.11Å; R2029-I2037 PolarHBondContact O-N 3.39Å; F2031-I2037 HydrophobicContact CB-CB 3.99Å; F2031-I2037 HydrophobicContact CB-CG2 3.86Å; I2037-L2045 HydrophobicContact CD1-CD1 4.37Å; I2037-L2045 HydrophobicContact CD1-CD2 3.56Å; I2037-L2045 HydrophobicContact CG1-CD2 3.44Å; I2037-L2045 VanDerWaalsContact CG1-CD2 3.44Å; I2037-L2047 HydrophobicContact CB-CD1 4.09Å; I2037-L2047 HydrophobicContact CD1-CD1 4.08Å; I2037-L2047 HydrophobicContact CG1-CD1 4.09Å; I2037-L2091 HydrophobicContact CG2-CD1 3.81Å; I2037-L2091 HydrophobicContact CG2-CD2 4.19Å; I2037-T2093 HydrophobicContact CG2-CG2 4.05Å; I2037-L2148 HydrophobicContact CD1-CD1 4.26Å |
| 2038 | V | 70.2 | Confident | 65.1 | Low | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.2 | -159.1 | -151.4 | 0 | 0 | 0 | 0 | 111 | I1565 G1611 I2025 I2028 L2036 V2046 L2048 | I1565-V2038 HydrophobicContact CD1-CB 3.55Å; I1565-V2038 HydrophobicContact CD1-CG1 3.31Å; G1611-V2038 PolarHBondContact N-O 3.16Å; I2025-V2038 HydrophobicContact CG1-CG1 4.35Å; I2025-V2038 HydrophobicContact CG2-CG1 3.71Å; I2028-V2038 HydrophobicContact CB-CG1 4.07Å; I2028-V2038 HydrophobicContact CD1-CG1 4.33Å; I2028-V2038 HydrophobicContact CD1-CG2 4.22Å; I2028-V2038 HydrophobicContact CG1-CG1 4.16Å; I2028-V2038 HydrophobicContact CG1-CG2 4.23Å; L2036-V2038 HydrophobicContact CB-CG2 4.42Å; V2038-V2046 PolarHBondContact N-O 2.86Å; V2038-V2046 VanDerWaalsContact N-O 3.15Å; V2038-L2048 HydrophobicContact CG2-CD1 4Å |
| 2039 | G | 68.3 | Low | 64.2 | Low | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -156.1 | 178.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | S1607 P1608 L1609 I2025 T2026 | S1607-G2039 CarbonylContact O-C 3.55Å; S1607-G2039 VanDerWaalsContact O-O 3.08Å; P1608-G2039 CarbonylContact C-O 3.5Å; P1608-G2039 PolarHBondContact O-N 2.94Å; P1608-G2039 VanDerWaalsContact O-N 3.13Å; L1609-G2039 VanDerWaalsContact N-C 3.33Å; I2025-G2039 WeakPolarHBondContact CA-O 3.08Å; T2026-G2039 PolarHBondContact N-O 2.8Å | ||
| 2040 | T | 66.4 | Low | 63.6 | Low | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -150 | -146 | -156.1 | 78.8 | 0 | 0 | 0 | 0 | 113 | I1565 S1607 F1610 G1611 N1612 E1613 D2023 Q2024 | I1565-T2040 HydrophobicContact CB-CG2 3.83Å; I1565-T2040 HydrophobicContact CD1-CG2 3.26Å; I1565-T2040 HydrophobicContact CG1-CG2 3.37Å; S1607-T2040 CarbonylContact C-O 3.44Å; S1607-T2040 WeakPolarHBondContact CA-O 3.45Å; S1607-T2040 VanDerWaalsContact CB-O 3.28Å; S1607-T2040 WeakPolarHBondContact CB-O 3.18Å; S1607-T2040 PolarHBondContact N-O 3.33Å; S1607-T2040 CarbonylContact O-C 3.45Å; S1607-T2040 WeakPolarHBondContact O-CA 3.47Å; S1607-T2040 PolarHBondContact O-N 3.27Å; S1607-T2040 PolarHBondContact OG-O 3.46Å; F1610-T2040 CarbonylContact O-C 3.57Å; F1610-T2040 PolarHBondContact O-N 2.67Å; F1610-T2040 VanDerWaalsContact O-N 3.16Å; F1610-T2040 VanDerWaalsContact O-O 3.12Å; G1611-T2040 VanDerWaalsContact CA-N 3.32Å; G1611-T2040 WeakPolarHBondContact CA-OG1 3.22Å; G1611-T2040 PolarHBondContact O-OG1 3.08Å; N1612-T2040 VanDerWaalsContact C-C 3.46Å; N1612-T2040 WeakPolarHBondContact CA-OG1 3.19Å; N1612-T2040 PolarHBondContact N-OG1 3.07Å; E1613-T2040 CarbonylContact C-O 3.54Å; E1613-T2040 VanDerWaalsContact CA-O 3.27Å; E1613-T2040 WeakPolarHBondContact CA-O 3.49Å; E1613-T2040 PolarHBondContact N-O 3.25Å; E1613-T2040 CarbonylContact O-C 3.57Å; D2023-T2040 HydrophobicContact CB-CG2 4.18Å; D2023-T2040 VanDerWaalsContact CB-OG1 3.25Å; D2023-T2040 WeakPolarHBondContact CB-OG1 2.97Å; D2023-T2040 WeakPolarHBondContact O-CB 3.4Å; D2023-T2040 WeakPolarHBondContact O-CG2 3.17Å; D2023-T2040 PolarHBondContact OD2-OG1 3.26Å; Q2024-T2040 WeakPolarHBondContact O-CA 3.41Å; Q2024-T2040 WeakPolarHBondContact O-CB 3.19Å | ||
| 2041 | R | 60 | Low | 62.7 | Low | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.015 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -136 | 82.8 | -140.5 | -151.8 | -88.2 | 169.5 | -12.1 | 14.4 | 120.2 | I1604 L1605 C1606 N1612 E1613 F1614 I1615 D2022 D2023 | I1604-R2041 HydrophobicContact CG2-CG 4.03Å; L1605-R2041 PolarHBondContact O-NH1 2.86Å; C1606-R2041 HydrophobicContact CB-CB 3.66Å; C1606-R2041 HydrophobicContact CB-CG 3.88Å; C1606-R2041 VanDerWaalsContact SG-CB 3.52Å; C1606-R2041 WeakPolarHBondContact SG-CG 3.33Å; N1612-R2041 CarbonylContact O-C 3.41Å; N1612-R2041 WeakPolarHBondContact O-CA 3.2Å; N1612-R2041 PolarHBondContact O-N 3.09Å; E1613-R2041 VanDerWaalsContact C-C 3.41Å; E1613-R2041 WeakPolarHBondContact O-CA 3.5Å; E1613-R2041 PolarHBondContact O-N 2.77Å; F1614-R2041 VanDerWaalsContact CB-C 3.47Å; F1614-R2041 HydrophobicContact CB-CB 3.81Å; F1614-R2041 HydrophobicContact CB-CG 3.28Å; F1614-R2041 VanDerWaalsContact CD1-CD 3.44Å; F1614-R2041 HydrophobicContact CD1-CG 4.29Å; F1614-R2041 VanDerWaalsContact CD1-O 3.28Å; F1614-R2041 WeakPolarHBondContact CD1-O 3.4Å; F1614-R2041 VanDerWaalsContact CE2-NH2 3.34Å; F1614-R2041 VanDerWaalsContact CG-CD 3.49Å; F1614-R2041 HydrophobicContact CG-CG 4.04Å; F1614-R2041 VanDerWaalsContact CG-CZ 3.5Å; F1614-R2041 VanDerWaalsContact CG-NE 3.33Å; I1615-R2041 PolarHBondContact O-NH1 3.18Å; I1615-R2041 PolarHBondContact O-NH2 3.49Å; D2022-R2041 WeakPolarHBondContact O-CD 3.27Å; D2023-R2041 HydrophobicContact CB-CB 3.15Å; D2023-R2041 HydrophobicContact CB-CG 4.36Å; D2023-R2041 VanDerWaalsContact CB-N 3.25Å; D2023-R2041 VanDerWaalsContact CG-C 3.44Å; D2023-R2041 VanDerWaalsContact CG-CA 3.45Å; D2023-R2041 VanDerWaalsContact OD2-C 3.32Å; D2023-R2041 WeakPolarHBondContact OD2-CA 3.41Å; D2023-R2041 PolarHBondContact OD2-N 2.95Å |
| 2042 | N | 59.4 | Low | 62.2 | Low | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | 103.1 | 15.9 | -155 | 63.5 | -168.8 | 0 | 0 | 0 | 129.3 | I1571 N1612 E1613 F1614 K1642 F1643 L1673 D2023 | I1571-N2042 WeakPolarHBondContact CD1-OD1 3.22Å; N1612-N2042 CarbonylContact O-C 3.45Å; N1612-N2042 WeakPolarHBondContact O-CA 3.28Å; N1612-N2042 PolarHBondContact O-N 2.85Å; N1612-N2042 PolarHBondContact O-ND2 3.07Å; E1613-N2042 VanDerWaalsContact CA-CA 3.42Å; E1613-N2042 VanDerWaalsContact N-N 3.14Å; F1614-N2042 HydrophobicContact CD1-CB 3.65Å; F1614-N2042 HydrophobicContact CE1-CB 4.08Å; K1642-N2042 CarbonylContact C-O 3.55Å; K1642-N2042 VanDerWaalsContact C-O 3.31Å; K1642-N2042 VanDerWaalsContact CA-C 3.44Å; K1642-N2042 WeakPolarHBondContact CA-O 3.36Å; F1643-N2042 HydrophobicContact CD1-CB 3.76Å; F1643-N2042 VanDerWaalsContact CD1-O 3.3Å; F1643-N2042 WeakPolarHBondContact CD1-O 3.37Å; F1643-N2042 WeakPolarHBondContact CD2-O 3.25Å; F1643-N2042 HydrophobicContact CE1-CB 3.46Å; F1643-N2042 VanDerWaalsContact CE1-CB 3.46Å; F1643-N2042 WeakPolarHBondContact CE1-ND2 3.09Å; F1643-N2042 WeakPolarHBondContact CE1-O 3.15Å; F1643-N2042 VanDerWaalsContact CE1-OD1 3.28Å; F1643-N2042 WeakPolarHBondContact CE1-OD1 3.14Å; F1643-N2042 WeakPolarHBondContact CE2-O 3.11Å; F1643-N2042 WeakPolarHBondContact CG-O 3.1Å; F1643-N2042 HydrophobicContact CZ-CB 4.01Å; F1643-N2042 VanDerWaalsContact CZ-ND2 3.28Å; F1643-N2042 WeakPolarHBondContact CZ-ND2 3.22Å; F1643-N2042 WeakPolarHBondContact CZ-O 3.28Å; F1643-N2042 PolarHBondContact N-O 3.07Å; L1673-N2042 HydrophobicContact CD2-CB 4.26Å; D2023-N2042 PolarHBondContact OD1-ND2 2.83Å; D2023-N2042 PolarHBondContact OD2-ND2 2.98Å |
| 2043 | G | 58.8 | Low | 61.5 | Low | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 128.2 | 70.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 127.2 | N1612 E1613 Y2078 | N1612-G2043 VanDerWaalsContact CB-N 3.3Å; N1612-G2043 PolarHBondContact O-N 3.25Å; E1613-G2043 VanDerWaalsContact OE1-CA 3.27Å; E1613-G2043 WeakPolarHBondContact OE1-CA 3.5Å; G2043-Y2078 WeakPolarHBondContact O-CE1 2.86Å; G2043-Y2078 PolarHBondContact O-OH 3.42Å |
| 2044 | L | 60.4 | Low | 60.7 | Low | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | trans | -177 | 136.7 | 170.8 | -75.7 | 178.3 | 0 | 0 | 0 | 117.8 | F1610 G1611 N1612 L2018 V2046 K2076 Y2078 | F1610-L2044 CarbonylContact C-O 3.31Å; F1610-L2044 WeakPolarHBondContact CA-O 3.11Å; F1610-L2044 VanDerWaalsContact CB-C 3.44Å; F1610-L2044 WeakPolarHBondContact CB-O 3.05Å; G1611-L2044 CarbonylContact C-O 3.52Å; G1611-L2044 WeakPolarHBondContact CA-O 3.21Å; G1611-L2044 PolarHBondContact N-O 3.34Å; N1612-L2044 HydrophobicContact CB-CB 3.73Å; N1612-L2044 HydrophobicContact CB-CD1 4.12Å; N1612-L2044 HydrophobicContact CB-CG 3.78Å; N1612-L2044 PolarHBondContact N-O 3.03Å; N1612-L2044 WeakPolarHBondContact ND2-CD1 3.22Å; N1612-L2044 WeakPolarHBondContact ND2-CG 2.63Å; L2018-L2044 HydrophobicContact CD2-CD1 4.26Å; L2044-V2046 HydrophobicContact CB-CG2 4.16Å; L2044-V2046 HydrophobicContact CD1-CG2 4.16Å; L2044-K2076 HydrophobicContact CD1-CD 3.49Å; L2044-K2076 VanDerWaalsContact CD1-CD 3.49Å; L2044-K2076 HydrophobicContact CD1-CG 3.86Å; L2044-K2076 HydrophobicContact CD2-CB 3.71Å; L2044-K2076 HydrophobicContact CD2-CD 3.92Å; L2044-K2076 HydrophobicContact CD2-CG 3.99Å; L2044-K2076 HydrophobicContact CG-CD 4.34Å; L2044-Y2078 HydrophobicContact CD2-CD2 4.38Å; L2044-Y2078 HydrophobicContact CD2-CE1 4.4Å; L2044-Y2078 HydrophobicContact CD2-CE2 3.55Å; L2044-Y2078 VanDerWaalsContact CD2-OH 3.24Å; L2044-Y2078 WeakPolarHBondContact CD2-OH 3.23Å | ||
| 2045 | L | 64.7 | Low | 59.6 | Low | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.063 | 14% | 0.138 | C | C | . | . | trans | -78 | 137.4 | 161.3 | -123.4 | 178 | 0 | 0 | 0 | 110.3 | L1609 F1610 I2037 | L1609-L2045 VanDerWaalsContact O-CD2 3.29Å; L1609-L2045 WeakPolarHBondContact O-CD2 3.37Å; F1610-L2045 VanDerWaalsContact CD1-CA 3.48Å; F1610-L2045 HydrophobicContact CD1-CB 3.38Å; F1610-L2045 HydrophobicContact CD1-CD1 4.18Å; F1610-L2045 HydrophobicContact CD1-CG 3.41Å; F1610-L2045 VanDerWaalsContact CD1-CG 3.41Å; F1610-L2045 HydrophobicContact CE1-CB 3.65Å; F1610-L2045 HydrophobicContact CE1-CD1 3.75Å; F1610-L2045 HydrophobicContact CE1-CG 3.54Å; I2037-L2045 HydrophobicContact CD1-CD1 4.37Å; I2037-L2045 HydrophobicContact CD1-CD2 3.56Å; I2037-L2045 HydrophobicContact CG1-CD2 3.44Å; I2037-L2045 VanDerWaalsContact CG1-CD2 3.44Å | ||
| 2046 | V | 65.1 | Low | 58.2 | Low | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.1 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 113.1 | I1565 V2038 L2044 | I1565-V2046 HydrophobicContact CG2-CB 3.47Å; I1565-V2046 VanDerWaalsContact CG2-CB 3.47Å; I1565-V2046 HydrophobicContact CG2-CG1 3.46Å; I1565-V2046 VanDerWaalsContact CG2-CG1 3.46Å; I1565-V2046 HydrophobicContact CG2-CG2 3.85Å; V2038-V2046 PolarHBondContact N-O 2.86Å; V2038-V2046 VanDerWaalsContact N-O 3.15Å; L2044-V2046 HydrophobicContact CB-CG2 4.16Å; L2044-V2046 HydrophobicContact CD1-CG2 4.16Å |
| 2047 | L | 65.4 | Low | 56.4 | Low | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.5 | 178.8 | -165.8 | 75.6 | 0 | 0 | 0 | 110.7 | F2031 Y2035 I2037 I2074 F2161 | F2031-L2047 HydrophobicContact CB-CD1 4.41Å; F2031-L2047 HydrophobicContact CD1-CD1 3.77Å; F2031-L2047 HydrophobicContact CE1-CD1 4.28Å; F2031-L2047 HydrophobicContact CG-CD1 4.22Å; Y2035-L2047 HydrophobicContact CD1-CD1 4.46Å; Y2035-L2047 HydrophobicContact CD1-CD2 3.8Å; Y2035-L2047 HydrophobicContact CD1-CG 3.95Å; Y2035-L2047 HydrophobicContact CE1-CD2 4.22Å; I2037-L2047 HydrophobicContact CB-CD1 4.09Å; I2037-L2047 HydrophobicContact CD1-CD1 4.08Å; I2037-L2047 HydrophobicContact CG1-CD1 4.09Å; L2047-I2074 PolarHBondContact O-N 3.34Å; L2047-F2161 HydrophobicContact CB-CZ 4.46Å |
| 2048 | L | 66.7 | Low | 54.6 | Low | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.5 | 169.7 | -74.9 | 172.7 | 0 | 0 | 0 | 109.7 | I2017 Y2035 L2036 V2038 V2071 R2073 | I2017-L2048 HydrophobicContact CD1-CD1 3.81Å; I2017-L2048 HydrophobicContact CG2-CD1 3.97Å; I2017-L2048 HydrophobicContact CG2-CD2 3.21Å; I2017-L2048 HydrophobicContact CG2-CG 3.93Å; Y2035-L2048 CarbonylContact C-O 3.44Å; Y2035-L2048 WeakPolarHBondContact CA-O 3.13Å; Y2035-L2048 WeakPolarHBondContact CB-O 3.28Å; Y2035-L2048 WeakPolarHBondContact CD1-O 3.06Å; L2036-L2048 HydrophobicContact CB-CB 3.92Å; L2036-L2048 HydrophobicContact CB-CD1 4.23Å; L2036-L2048 PolarHBondContact N-O 3.39Å; L2036-L2048 PolarHBondContact O-N 2.75Å; V2038-L2048 HydrophobicContact CG2-CD1 4Å; L2048-V2071 HydrophobicContact CB-CG1 3.95Å; L2048-V2071 HydrophobicContact CD1-CG1 4.14Å; L2048-V2071 HydrophobicContact CD2-CG1 3.56Å; L2048-V2071 HydrophobicContact CG-CG1 4.09Å; L2048-R2073 HydrophobicContact CD2-CB 4.48Å; L2048-R2073 HydrophobicContact CD2-CG 3.99Å |
| 2049 | S | 60.7 | Low | 52.8 | Low | 17 Ų | 17 | 52.8 Ų | 52.8 | 12% | 0.119 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 148.6 | 167.5 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | H2034 Y2035 V2071 K2072 | H2034-S2049 CarbonylContact O-C 3.3Å; H2034-S2049 WeakPolarHBondContact O-CA 2.71Å; Y2035-S2049 VanDerWaalsContact CE1-OG 3.26Å; Y2035-S2049 WeakPolarHBondContact CE1-OG 3.3Å; S2049-V2071 CarbonylContact O-C 3.46Å; S2049-V2071 VanDerWaalsContact O-C 3.31Å; S2049-V2071 WeakPolarHBondContact O-CA 3.42Å; S2049-V2071 WeakPolarHBondContact O-CG1 3.33Å; S2049-K2072 WeakPolarHBondContact CA-O 3.28Å; S2049-K2072 WeakPolarHBondContact CB-O 3.35Å; S2049-K2072 PolarHBondContact N-O 3.36Å; S2049-K2072 PolarHBondContact O-N 3.48Å; S2049-K2072 VanDerWaalsContact O-N 3.11Å |
| 2050 | I | 62.3 | Low | 51.1 | Low | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | trans | -122.4 | 91.2 | -175.9 | -57.5 | 173.8 | 0 | 0 | 0 | 106.1 | F2030 H2034 L2036 I2069 | F2030-I2050 HydrophobicContact CD1-CD1 4.45Å; F2030-I2050 HydrophobicContact CE1-CD1 4.04Å; H2034-I2050 PolarHBondContact ND1-O 2.99Å; H2034-I2050 PolarHBondContact O-N 2.93Å; L2036-I2050 HydrophobicContact CB-CD1 4.5Å; L2036-I2050 HydrophobicContact CD1-CD1 3.91Å; L2036-I2050 HydrophobicContact CG-CD1 3.94Å; I2050-I2069 HydrophobicContact CB-CG2 4.46Å; I2050-I2069 HydrophobicContact CG2-CG2 3.32Å | ||
| 2051 | G | 49.5 | Very low | 49.6 | Very low | 18 Ų | 18 | 69.7 Ų | 69.7 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -126.7 | 160.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2070 | G2051-L2070 PolarHBondContact N-O 2.99Å; G2051-L2070 PolarHBondContact O-N 2.52Å |
| 2052 | Y | 50.1 | Low | 48.2 | Very low | 111 Ų | 111 | 76.7 Ų | 76.7 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | trans | -95.3 | 149.6 | 172.1 | -56.6 | -81.4 | 0 | 0 | 0 | 110.1 | I2069 | Y2052-I2069 HydrophobicContact CD1-CG1 4.27Å; Y2052-I2069 HydrophobicContact CE1-CD1 4.25Å; Y2052-I2069 HydrophobicContact CE1-CG1 3.7Å | ||
| 2053 | N | 41.7 | Very low | 46.7 | Very low | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 44% | 0.438 | S | S | . | . | trans | -88.5 | 128.9 | 179.1 | -134 | 23.2 | 0 | 0 | 0 | 110.3 | K2072 | N2053-K2072 WeakPolarHBondContact OD1-CE 3.27Å; N2053-K2072 PolarHBondContact OD1-NZ 2.94Å | ||
| 2054 | T | 39.8 | Very low | 45.2 | Very low | 108 Ų | 108 | 94.5 Ų | 94.5 | 66% | 0.663 | 48% | 0.482 | S | S | * | . | trans | -131.1 | 15.9 | -172.7 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2055 | E | 35.1 | Very low | 43.7 | Very low | 158 Ų | 158 | 103.4 Ų | 103.4 | 74% | 0.738 | 52% | 0.517 | S | S | * | . | trans | -105.7 | 68.5 | -174.5 | -67.7 | -172 | 145.8 | 0 | 0 | 112 | ||||
| 2056 | D | 34.3 | Very low | 42.2 | Very low | 157 Ų | 157 | 106 Ų | 106 | 84% | 0.84 | 54% | 0.535 | S | S | * | . | trans | -142.7 | 48.7 | 159.7 | -111.8 | -32.7 | 0 | 0 | 0 | 110.4 | N2058 | D2056-N2058 VanDerWaalsContact C-N 3.26Å; D2056-N2058 PolarHBondContact O-N 3.24Å | ||
| 2057 | N | 32.3 | Very low | 40.5 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 80% | 0.797 | 56% | 0.561 | S | S | * | * | trans | -74.5 | 71.4 | 176.2 | -85.5 | -55.3 | 0 | 0 | 0 | 111.7 | ||||
| 2058 | N | 35.7 | Very low | 39 | Very low | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -157 | 112.4 | 156.7 | -95.8 | -47.5 | 0 | 0 | 0 | 113.1 | D2056 | D2056-N2058 VanDerWaalsContact C-N 3.26Å; D2056-N2058 PolarHBondContact O-N 3.24Å |
| 2059 | N | 32.9 | Very low | 37.6 | Very low | 146 Ų | 146 | 116.8 Ų | 116.8 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 77.8 | 129.5 | 168.5 | -56.3 | -45 | 0 | 0 | 0 | 119.3 | ||
| 2060 | T | 31.6 | Very low | 36.6 | Very low | 132 Ų | 132 | 119.5 Ų | 119.5 | 81% | 0.81 | 61% | 0.607 | S | S | * | * | trans | 56 | 99.4 | 160.8 | 48.1 | 0 | 0 | 0 | 0 | 118 | D2062 | T2060-D2062 PolarHBondContact O-N 2.69Š| ||
| 2061 | Y | 35.2 | Very low | 35.7 | Very low | 223 Ų | 223 | 120.4 Ų | 120.4 | 88% | 0.875 | 61% | 0.613 | S | S | * | * | trans | -38.5 | 115.4 | 153.5 | -59.4 | -98.2 | 0 | 0 | 0 | 111.9 | ||||
| 2062 | D | 30.1 | Very low | 35.3 | Very low | 152 Ų | 152 | 123.8 Ų | 123.8 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | trans | 165.9 | 68.8 | 140.3 | -85.7 | -11.6 | 0 | 0 | 0 | 111.3 | T2060 | T2060-D2062 PolarHBondContact O-N 2.69Š| ||
| 2063 | K | 28.7 | Very low | 35.2 | Very low | 196 Ų | 196 | 122.9 Ų | 122.9 | 85% | 0.852 | 62% | 0.619 | S | S | * | * | trans | -174.3 | 89.3 | 160.9 | -101.2 | 142.8 | -170.4 | 174.6 | 0 | 110.6 | ||||
| 2064 | L | 27.4 | Very low | 35.4 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 94% | 0.937 | 62% | 0.616 | S | S | * | * | trans | -108.6 | 30.8 | 175.9 | -99.6 | 166.1 | 0 | 0 | 0 | 112.4 | ||||
| 2065 | Y | 27.8 | Very low | 35.9 | Very low | 189 Ų | 189 | 119.4 Ų | 119.4 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -87.8 | 116.7 | -177 | -71.4 | -79.3 | 0 | 0 | 0 | 112.1 | Q2067 | Y2065-Q2067 PolarHBondContact O-N 2.56Š| ||
| 2066 | S | 34.5 | Very low | 36.3 | Very low | 66 Ų | 66 | 114.5 Ų | 114.5 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | trans | 35.5 | 77.6 | 152.9 | 58.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 2067 | Q | 29.9 | Very low | 36.6 | Very low | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 141.1 | 160.6 | -67.2 | -167.9 | 2.5 | 0 | 0 | 110.4 | Y2065 | Y2065-Q2067 PolarHBondContact O-N 2.56Š|
| 2068 | P | 32.2 | Very low | 37.2 | Very low | 99 Ų | 99 | 103.8 Ų | 103.8 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 152.8 | -180 | 28 | -35 | 0 | 0 | 0 | 112.2 | L2070 | P2068-L2070 PolarHBondContact O-N 2.96Š|
| 2069 | I | 38.6 | Very low | 37.5 | Very low | 18 Ų | 18 | 99.9 Ų | 99.9 | 9% | 0.092 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 117.6 | 179.3 | -62.6 | 171.8 | 0 | 0 | 0 | 108.7 | V1962 V2011 I2050 Y2052 | V1962-I2069 HydrophobicContact CG1-CD1 4.38Å; V2011-I2069 HydrophobicContact CG1-CD1 4.15Å; I2050-I2069 HydrophobicContact CB-CG2 4.46Å; I2050-I2069 HydrophobicContact CG2-CG2 3.32Å; Y2052-I2069 HydrophobicContact CD1-CG1 4.27Å; Y2052-I2069 HydrophobicContact CE1-CD1 4.25Å; Y2052-I2069 HydrophobicContact CE1-CG1 3.7Å |
| 2070 | L | 39.3 | Very low | 37.7 | Very low | 73 Ų | 73 | 98 Ų | 98 | 38% | 0.382 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 116 | -168.4 | -148.4 | 170.8 | 0 | 0 | 0 | 109.9 | G2051 P2068 K2072 | G2051-L2070 PolarHBondContact N-O 2.99Å; G2051-L2070 PolarHBondContact O-N 2.52Å; P2068-L2070 PolarHBondContact O-N 2.96Å; L2070-K2072 HydrophobicContact CD2-CG 4.12Å; L2070-K2072 PolarHBondContact O-N 3.27Å |
| 2071 | V | 43.3 | Very low | 37.9 | Very low | 27 Ų | 27 | 96.4 Ų | 96.4 | 16% | 0.164 | 47% | 0.471 | C | S | . | . | trans | -80.5 | 81.5 | -171.9 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | L2048 S2049 | L2048-V2071 HydrophobicContact CB-CG1 3.95Å; L2048-V2071 HydrophobicContact CD1-CG1 4.14Å; L2048-V2071 HydrophobicContact CD2-CG1 3.56Å; L2048-V2071 HydrophobicContact CG-CG1 4.09Å; S2049-V2071 CarbonylContact O-C 3.46Å; S2049-V2071 VanDerWaalsContact O-C 3.31Å; S2049-V2071 WeakPolarHBondContact O-CA 3.42Å; S2049-V2071 WeakPolarHBondContact O-CG1 3.33Å | ||
| 2072 | K | 40.8 | Very low | 37.7 | Very low | 89 Ų | 89 | 90.8 Ų | 90.8 | 39% | 0.387 | 46% | 0.464 | S | S | . | . | trans | -75 | 144.8 | -179.4 | -68.2 | -175.3 | 180 | 176.9 | 0 | 111.4 | S2049 N2053 L2070 | S2049-K2072 WeakPolarHBondContact CA-O 3.28Å; S2049-K2072 WeakPolarHBondContact CB-O 3.35Å; S2049-K2072 PolarHBondContact N-O 3.36Å; S2049-K2072 PolarHBondContact O-N 3.48Å; S2049-K2072 VanDerWaalsContact O-N 3.11Å; N2053-K2072 WeakPolarHBondContact OD1-CE 3.27Å; N2053-K2072 PolarHBondContact OD1-NZ 2.94Å; L2070-K2072 HydrophobicContact CD2-CG 4.12Å; L2070-K2072 PolarHBondContact O-N 3.27Å | ||
| 2073 | R | 48.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 88 Ų | 88 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130 | -162.5 | -160.3 | 178.5 | 74.9 | -127.9 | -4.7 | 113.9 | D1566 I2017 L2048 | D1566-R2073 PolarHBondContact O-NH1 2.78Å; D1566-R2073 PolarHBondContact O-NH2 3.42Å; D1566-R2073 IonicContact OD1-CZ 2.75Å; D1566-R2073 IonicContact OD1-NE 2.62Å; D1566-R2073 PolarHBondContact OD1-NE 2.92Å; D1566-R2073 IonicContact OD1-NH2 3.2Å; D1566-R2073 PolarHBondContact OD1-NH2 3Å; I2017-R2073 VanDerWaalsContact O-CD 3.28Å; I2017-R2073 WeakPolarHBondContact O-CD 3.37Å; I2017-R2073 VanDerWaalsContact O-CZ 3.22Å; I2017-R2073 PolarHBondContact O-NE 3.48Å; I2017-R2073 PolarHBondContact O-NH1 2.96Å; L2048-R2073 HydrophobicContact CD2-CB 4.48Å; L2048-R2073 HydrophobicContact CD2-CG 3.99Å |
| 2074 | I | 46.5 | Very low | 38.8 | Very low | 55 Ų | 55 | 82.6 Ų | 82.6 | 28% | 0.282 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 103.6 | -169.6 | -70.8 | -174.3 | 0 | 0 | 0 | 112.3 | L2047 P2158 | L2047-I2074 PolarHBondContact O-N 3.34Å; I2074-P2158 HydrophobicContact CG2-CB 4.27Å |
| 2075 | I | 48.6 | Very low | 39.6 | Very low | 43 Ų | 43 | 74.1 Ų | 74.1 | 22% | 0.221 | 38% | 0.381 | C | S | . | . | trans | 70.3 | 168 | 145.8 | -73.4 | 140.6 | 0 | 0 | 0 | 118.4 | P2158 L2159 F2161 | I2075-P2158 HydrophobicContact CD1-CB 4.25Å; I2075-P2158 HydrophobicContact CD1-CG 4.03Å; I2075-L2159 HydrophobicContact CD1-CD2 3.82Å; I2075-L2159 HydrophobicContact CD1-CG 4.18Å; I2075-L2159 HydrophobicContact CG1-CD2 3.98Å; I2075-F2161 HydrophobicContact CG2-CE2 4.34Å; I2075-F2161 HydrophobicContact CG2-CZ 4.34Å | ||
| 2076 | K | 45.4 | Very low | 40.9 | Very low | 55 Ų | 55 | 66.1 Ų | 66.1 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | trans | -155.1 | 149.5 | -159.1 | -63.4 | -177.7 | -171.1 | 78.2 | 0 | 109.9 | D1566 L2044 | D1566-K2076 WeakPolarHBondContact OD1-CE 3.07Å; D1566-K2076 IonicContact OD1-NZ 2.82Å; D1566-K2076 PolarHBondContact OD1-NZ 2.94Å; D1566-K2076 VanDerWaalsContact OD2-CE 3.31Å; D1566-K2076 WeakPolarHBondContact OD2-CE 2.89Å; D1566-K2076 IonicContact OD2-NZ 2.59Å; D1566-K2076 PolarHBondContact OD2-NZ 2.8Å; L2044-K2076 HydrophobicContact CD1-CD 3.49Å; L2044-K2076 VanDerWaalsContact CD1-CD 3.49Å; L2044-K2076 HydrophobicContact CD1-CG 3.86Å; L2044-K2076 HydrophobicContact CD2-CB 3.71Å; L2044-K2076 HydrophobicContact CD2-CD 3.92Å; L2044-K2076 HydrophobicContact CD2-CG 3.99Å; L2044-K2076 HydrophobicContact CG-CD 4.34Å | ||
| 2077 | D | 40.1 | Very low | 41.7 | Very low | 59 Ų | 59 | 63 Ų | 63 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | trans | -148.2 | 166.1 | 157.2 | -142 | -31.2 | 0 | 0 | 0 | 112.4 | ||||
| 2078 | Y | 44.2 | Very low | 42.8 | Very low | 21 Ų | 21 | 57.2 Ų | 57.2 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | trans | -106.8 | 136.3 | -174.5 | -82.6 | -89.2 | 0 | 0 | 0 | 112.3 | F1643 D1644 I1645 G2043 L2044 V2080 | F1643-Y2078 HydrophobicContact CD2-CE1 4.12Å; F1643-Y2078 HydrophobicContact CE2-CE1 4.37Å; D1644-Y2078 HydrophobicContact CB-CD1 4.42Å; D1644-Y2078 WeakPolarHBondContact OD1-CD1 3.47Å; I1645-Y2078 HydrophobicContact CB-CE1 4.4Å; I1645-Y2078 HydrophobicContact CB-CE2 3.94Å; I1645-Y2078 WeakPolarHBondContact CB-OH 3.34Å; I1645-Y2078 WeakPolarHBondContact CD1-OH 2.99Å; I1645-Y2078 WeakPolarHBondContact CG1-OH 3.18Å; G2043-Y2078 WeakPolarHBondContact O-CE1 2.86Å; G2043-Y2078 PolarHBondContact O-OH 3.42Å; L2044-Y2078 HydrophobicContact CD2-CD2 4.38Å; L2044-Y2078 HydrophobicContact CD2-CE1 4.4Å; L2044-Y2078 HydrophobicContact CD2-CE2 3.55Å; L2044-Y2078 VanDerWaalsContact CD2-OH 3.24Å; L2044-Y2078 WeakPolarHBondContact CD2-OH 3.23Å; Y2078-V2080 PolarHBondContact O-N 2.78Å | ||
| 2079 | L | 41.6 | Very low | 44.1 | Very low | 61 Ų | 61 | 52.5 Ų | 52.5 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -68 | 81 | 160.1 | -78.2 | 172.5 | 0 | 0 | 0 | 110 | F1610 K1642 W2146 | F1610-L2079 HydrophobicContact CD2-CD1 4.19Å; F1610-L2079 HydrophobicContact CE2-CD1 3.41Å; F1610-L2079 VanDerWaalsContact CE2-CD1 3.41Å; F1610-L2079 HydrophobicContact CE2-CG 4.38Å; F1610-L2079 HydrophobicContact CZ-CD1 3.98Å; K1642-L2079 PolarHBondContact NZ-O 3.36Å; L2079-W2146 HydrophobicContact CD2-CH2 4.33Å; L2079-W2146 HydrophobicContact CD2-CZ2 3.81Å; L2079-W2146 HydrophobicContact CG-CZ2 4.07Å |
| 2080 | V | 37.1 | Very low | 45 | Very low | 108 Ų | 108 | 52.1 Ų | 52.1 | 66% | 0.655 | 27% | 0.27 | S | S | * | . | trans | -5.5 | 116.5 | 179.3 | -177 | 0 | 0 | 0 | 0 | 117.6 | Y2078 C2082 | Y2078-V2080 PolarHBondContact O-N 2.78Å; V2080-C2082 PolarHBondContact O-N 2.9Å | ||
| 2081 | N | 35.4 | Very low | 46.1 | Very low | 97 Ų | 97 | 49.1 Ų | 49.1 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 32.8 | 75.4 | 146.1 | -60.8 | 23.3 | 0 | 0 | 0 | 117.1 | K1646 | K1646-N2081 PolarHBondContact NZ-OD1 3.45Š|
| 2082 | C | 31.7 | Very low | 47.2 | Very low | 106 Ų | 106 | 48.6 Ų | 48.6 | 72% | 0.716 | 25% | 0.25 | S | S | * | . | trans | -176.8 | 87.8 | 135.9 | -108.7 | 0 | 0 | 0 | 0 | 112.7 | V2080 I2084 | V2080-C2082 PolarHBondContact O-N 2.9Å; C2082-I2084 PolarHBondContact O-N 3.13Å | ||
| 2083 | Q | 40.5 | Very low | 48.3 | Very low | 93 Ų | 93 | 45.4 Ų | 45.4 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 58.9 | 6.4 | 132 | -143.3 | -178.2 | -15.7 | 0 | 0 | 119.8 | S1674 | S1674-Q2083 PolarHBondContact OG-O 3.1Š|
| 2084 | I | 42.4 | Very low | 48.8 | Very low | 82 Ų | 82 | 41 Ų | 41 | 42% | 0.421 | 22% | 0.222 | S | C | . | . | trans | -132.4 | 114.8 | 161.5 | -66 | -171.7 | 0 | 0 | 0 | 112.3 | Y1675 T1676 C2082 M2086 | Y1675-I2084 WeakPolarHBondContact O-CG2 3.42Å; T1676-I2084 HydrophobicContact CG2-CG2 3.68Å; C2082-I2084 PolarHBondContact O-N 3.13Å; I2084-M2086 WeakPolarHBondContact O-CG 3.08Å | ||
| 2085 | P | 44.2 | Very low | 49.1 | Very low | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | trans | -31.6 | 125.7 | 141.5 | -45.7 | 39.5 | 0 | 0 | 0 | 123.3 | F1640 W1641 K1642 S1674 Y1675 T1676 | F1640-P2085 CarbonylContact C-O 3.52Å; F1640-P2085 CarbonylContact O-C 2.86Å; W1641-P2085 VanDerWaalsContact C-C 3.49Å; W1641-P2085 HydrophobicContact CB-CB 3.93Å; K1642-P2085 VanDerWaalsContact C-CG 3.42Å; K1642-P2085 VanDerWaalsContact CA-CA 3.47Å; K1642-P2085 WeakPolarHBondContact O-CA 3.21Å; K1642-P2085 WeakPolarHBondContact O-CD 3.34Å; K1642-P2085 VanDerWaalsContact O-CG 3.25Å; K1642-P2085 WeakPolarHBondContact O-CG 3.27Å; K1642-P2085 VanDerWaalsContact O-N 3.1Å; S1674-P2085 VanDerWaalsContact C-CB 3.42Å; S1674-P2085 WeakPolarHBondContact O-CB 3.34Å; S1674-P2085 WeakPolarHBondContact O-CG 3.34Å; Y1675-P2085 CarbonylContact C-O 3.54Å; T1676-P2085 PolarHBondContact N-O 3.5Å; T1676-P2085 PolarHBondContact OG1-O 3.49Å | ||
| 2086 | M | 55 | Low | 48.9 | Very low | 21 Ų | 21 | 38.6 Ų | 38.6 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | trans | -174.4 | 132.3 | -176.9 | 36.6 | 160.4 | 41.3 | 0 | 0 | 113.9 | K1642 T1676 I2084 A2139 E2140 | K1642-M2086 HydrophobicContact CB-CG 4.46Å; K1642-M2086 WeakPolarHBondContact CB-O 3.43Å; K1642-M2086 VanDerWaalsContact N-N 3.12Å; T1676-M2086 HydrophobicContact CG2-CE 4.21Å; I2084-M2086 WeakPolarHBondContact O-CG 3.08Å; M2086-A2139 HydrophobicContact CB-CB 3.62Å; M2086-E2140 HydrophobicContact CE-CB 3.71Å; M2086-E2140 HydrophobicContact CE-CG 3.53Å; M2086-E2140 VanDerWaalsContact CE-OE2 3.25Å; M2086-E2140 WeakPolarHBondContact CE-OE2 3.38Å | ||
| 2087 | P | 50.7 | Low | 48.7 | Very low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -104 | 163.8 | -166.4 | 41.2 | -40.2 | 0 | 0 | 0 | 121.5 | E1613 F1614 I1615 F1640 L2089 G2138 A2139 | E1613-P2087 HydrophobicContact CB-CB 4.1Å; E1613-P2087 HydrophobicContact CG-CB 4.11Å; E1613-P2087 VanDerWaalsContact OE2-C 3.3Å; E1613-P2087 WeakPolarHBondContact OE2-CA 3.22Å; F1614-P2087 VanDerWaalsContact O-CG 3.32Å; F1614-P2087 WeakPolarHBondContact O-CG 3.46Å; I1615-P2087 HydrophobicContact CG1-CG 4.25Å; F1640-P2087 HydrophobicContact CB-CG 4.22Å; F1640-P2087 HydrophobicContact CD1-CG 3.54Å; F1640-P2087 HydrophobicContact CE1-CG 4.37Å; F1640-P2087 HydrophobicContact CG-CG 4.32Å; P2087-L2089 HydrophobicContact CB-CD2 3.91Å; P2087-L2089 HydrophobicContact CG-CD1 4.45Å; P2087-L2089 HydrophobicContact CG-CD2 3.7Å; P2087-L2089 HydrophobicContact CG-CG 4.32Å; P2087-G2138 WeakPolarHBondContact O-CA 3.39Å; P2087-A2139 HydrophobicContact CG-CB 4.39Å; P2087-A2139 VanDerWaalsContact O-CB 3.28Å; P2087-A2139 WeakPolarHBondContact O-CB 2.94Å; P2087-A2139 PolarHBondContact O-N 2.88Å | ||
| 2088 | I | 53 | Low | 48.4 | Very low | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.3 | 167.9 | 28.2 | 174.1 | 0 | 0 | 0 | 117.8 | S1607 P1608 L1609 F1610 E1613 A2136 V2137 | S1607-I2088 WeakPolarHBondContact CA-O 3.23Å; S1607-I2088 WeakPolarHBondContact CB-O 3.43Å; P1608-I2088 WeakPolarHBondContact CD-O 2.93Å; L1609-I2088 HydrophobicContact CB-CB 3.87Å; L1609-I2088 HydrophobicContact CB-CD1 3.57Å; L1609-I2088 HydrophobicContact CB-CG1 3.64Å; L1609-I2088 WeakPolarHBondContact CB-O 3.41Å; L1609-I2088 HydrophobicContact CD1-CB 3.7Å; L1609-I2088 HydrophobicContact CD1-CD1 3.67Å; L1609-I2088 HydrophobicContact CD1-CG1 4.13Å; L1609-I2088 HydrophobicContact CD1-CG2 4.2Å; L1609-I2088 HydrophobicContact CG-CB 4.37Å; L1609-I2088 HydrophobicContact CG-CD1 3.94Å; L1609-I2088 HydrophobicContact CG-CG1 4.4Å; F1610-I2088 VanDerWaalsContact CA-CD1 3.45Å; F1610-I2088 HydrophobicContact CB-CD1 3.27Å; F1610-I2088 HydrophobicContact CB-CG1 3.25Å; F1610-I2088 HydrophobicContact CD1-CD1 3.12Å; F1610-I2088 HydrophobicContact CD1-CG1 4.04Å; F1610-I2088 HydrophobicContact CD2-CB 4.24Å; F1610-I2088 HydrophobicContact CD2-CD1 3.16Å; F1610-I2088 HydrophobicContact CD2-CG1 3.18Å; F1610-I2088 HydrophobicContact CD2-CG2 4.19Å; F1610-I2088 HydrophobicContact CE1-CD1 3.52Å; F1610-I2088 HydrophobicContact CE2-CB 4.49Å; F1610-I2088 HydrophobicContact CE2-CD1 3.5Å; F1610-I2088 VanDerWaalsContact CE2-CD1 3.5Å; F1610-I2088 HydrophobicContact CE2-CG1 3.78Å; F1610-I2088 HydrophobicContact CE2-CG2 3.95Å; F1610-I2088 HydrophobicContact CG-CD1 2.89Å; F1610-I2088 HydrophobicContact CG-CG1 3.25Å; F1610-I2088 HydrophobicContact CZ-CD1 3.67Å; F1610-I2088 HydrophobicContact CZ-CG1 4.46Å; E1613-I2088 PolarHBondContact OE2-N 3.33Å; E1613-I2088 VanDerWaalsContact OE2-N 3.17Å; I2088-A2136 HydrophobicContact CD1-CB 3.75Å; I2088-A2136 HydrophobicContact CG2-CB 4Å; I2088-V2137 WeakPolarHBondContact CG2-O 3.18Å |
| 2089 | L | 58.6 | Low | 47.8 | Very low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 7.1 | -165.9 | -43.6 | 170.5 | 0 | 0 | 0 | 112.5 | P1608 I1615 F1640 Y1699 I1719 V1733 P2087 | P1608-L2089 WeakPolarHBondContact CG-O 3.41Å; I1615-L2089 HydrophobicContact CD1-CD1 4.37Å; I1615-L2089 HydrophobicContact CD1-CD2 3.75Å; I1615-L2089 HydrophobicContact CG1-CD2 3.84Å; F1640-L2089 HydrophobicContact CE1-CD1 3.87Å; Y1699-L2089 HydrophobicContact CD1-CB 4.39Å; Y1699-L2089 HydrophobicContact CE1-CB 3.65Å; Y1699-L2089 HydrophobicContact CE1-CD2 4.5Å; I1719-L2089 HydrophobicContact CD1-CD1 3.51Å; V1733-L2089 HydrophobicContact CB-CB 4.08Å; V1733-L2089 HydrophobicContact CG1-CB 3.46Å; V1733-L2089 VanDerWaalsContact CG1-CB 3.46Å; V1733-L2089 HydrophobicContact CG1-CD1 4.15Å; V1733-L2089 HydrophobicContact CG1-CG 3.97Å; V1733-L2089 HydrophobicContact CG2-CB 3.65Å; P2087-L2089 HydrophobicContact CB-CD2 3.91Å; P2087-L2089 HydrophobicContact CG-CD1 4.45Å; P2087-L2089 HydrophobicContact CG-CD2 3.7Å; P2087-L2089 HydrophobicContact CG-CG 4.32Å |
| 2090 | C | 58.5 | Low | 47.5 | Very low | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 111.2 | -167.2 | 60.3 | 0 | 0 | 0 | 0 | 120.3 | L1609 L1717 V1733 | L1609-C2090 WeakPolarHBondContact CD1-O 3.48Å; L1717-C2090 HydrophobicContact CB-CB 3.19Å; L1717-C2090 HydrophobicContact CD1-CB 3.48Å; L1717-C2090 VanDerWaalsContact CD1-CB 3.48Å; L1717-C2090 HydrophobicContact CD2-CB 3.91Å; L1717-C2090 HydrophobicContact CG-CB 3.66Å; V1733-C2090 HydrophobicContact CG1-CB 4.32Å; V1733-C2090 WeakPolarHBondContact CG1-SG 3.33Å; V1733-C2090 HydrophobicContact CG2-CB 4.38Å |
| 2091 | L | 62.1 | Low | 47.3 | Very low | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.9 | 178.6 | -105.5 | 148.8 | 0 | 0 | 0 | 111.1 | L1609 K1701 R2029 I2037 T2093 C2134 | L1609-L2091 HydrophobicContact CD1-CB 4.04Å; L1609-L2091 HydrophobicContact CD1-CD1 4.41Å; L1609-L2091 HydrophobicContact CD1-CG 3.72Å; L1609-L2091 HydrophobicContact CD2-CB 3.52Å; L1609-L2091 HydrophobicContact CD2-CD1 3.55Å; L1609-L2091 HydrophobicContact CD2-CG 3.55Å; L1609-L2091 HydrophobicContact CG-CB 3.95Å; L1609-L2091 HydrophobicContact CG-CD1 3.59Å; L1609-L2091 HydrophobicContact CG-CG 3.45Å; L1609-L2091 VanDerWaalsContact CG-CG 3.45Å; K1701-L2091 WeakPolarHBondContact CE-O 3.47Å; K1701-L2091 PolarHBondContact NZ-O 3.03Å; R2029-L2091 HydrophobicContact CB-CD1 4.48Å; I2037-L2091 HydrophobicContact CG2-CD1 3.81Å; I2037-L2091 HydrophobicContact CG2-CD2 4.19Å; L2091-T2093 HydrophobicContact CD2-CG2 3.64Å; L2091-C2134 WeakPolarHBondContact CD2-SG 3.48Å |
| 2092 | N | 66.1 | Low | 47.2 | Very low | 16 Ų | 16 | 54 Ų | 54 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 139.4 | 145.6 | -140 | 38.2 | 0 | 0 | 0 | 111.6 | K1701 P1713 L2135 | K1701-N2092 PolarHBondContact NZ-OD1 2.91Å; P1713-N2092 PolarHBondContact O-ND2 3.48Å; P1713-N2092 VanDerWaalsContact O-ND2 3.16Å; N2092-L2135 PolarHBondContact N-O 2.83Å; N2092-L2135 PolarHBondContact O-N 2.84Å |
| 2093 | T | 64.2 | Low | 47.1 | Very low | 22 Ų | 22 | 55.3 Ų | 55.3 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.5 | -173.9 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | F2031 I2037 L2091 | F2031-T2093 HydrophobicContact CD2-CG2 3.77Å; I2037-T2093 HydrophobicContact CG2-CG2 4.05Å; L2091-T2093 HydrophobicContact CD2-CG2 3.64Å |
| 2094 | Y | 58.2 | Low | 46.7 | Very low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.1 | 176 | -178.9 | -71.1 | 0 | 0 | 0 | 110.4 | I1712 Q2096 W2132 I2133 F2197 T2200 P2223 | I1712-Y2094 HydrophobicContact CB-CD2 3.42Å; I1712-Y2094 VanDerWaalsContact CB-CD2 3.42Å; I1712-Y2094 HydrophobicContact CB-CE2 3.73Å; I1712-Y2094 HydrophobicContact CB-CG 4.11Å; I1712-Y2094 HydrophobicContact CD1-CD1 3.73Å; I1712-Y2094 HydrophobicContact CD1-CD2 3.52Å; I1712-Y2094 HydrophobicContact CD1-CE1 3.62Å; I1712-Y2094 HydrophobicContact CD1-CE2 3.42Å; I1712-Y2094 VanDerWaalsContact CD1-CE2 3.42Å; I1712-Y2094 HydrophobicContact CD1-CG 3.64Å; I1712-Y2094 VanDerWaalsContact CD1-CZ 3.44Å; I1712-Y2094 HydrophobicContact CG1-CD1 4.1Å; I1712-Y2094 HydrophobicContact CG1-CD2 3.3Å; I1712-Y2094 HydrophobicContact CG1-CE1 4.41Å; I1712-Y2094 HydrophobicContact CG1-CE2 3.69Å; I1712-Y2094 HydrophobicContact CG1-CG 3.49Å; I1712-Y2094 VanDerWaalsContact CG1-CG 3.49Å; I1712-Y2094 HydrophobicContact CG2-CD2 3.66Å; I1712-Y2094 HydrophobicContact CG2-CE2 4.42Å; I1712-Y2094 HydrophobicContact CG2-CG 4.23Å; Y2094-Q2096 HydrophobicContact CE1-CB 4.44Å; Y2094-W2132 WeakPolarHBondContact O-CA 3.2Å; Y2094-I2133 WeakPolarHBondContact CA-O 3.36Å; Y2094-I2133 WeakPolarHBondContact CB-O 3.13Å; Y2094-I2133 HydrophobicContact CD1-CB 4.47Å; Y2094-I2133 HydrophobicContact CD1-CG1 4.38Å; Y2094-I2133 PolarHBondContact N-O 3.39Å; Y2094-I2133 PolarHBondContact O-N 3.42Å; Y2094-F2197 HydrophobicContact CD2-CB 3.67Å; Y2094-F2197 AromaticContact CD2-CD1 3.84Å; Y2094-F2197 HydrophobicContact CD2-CD1 3.84Å; Y2094-F2197 AromaticContact CD2-CD2 3.62Å; Y2094-F2197 HydrophobicContact CD2-CD2 3.62Å; Y2094-F2197 HydrophobicContact CD2-CE1 4.34Å; Y2094-F2197 HydrophobicContact CD2-CE2 4.12Å; Y2094-F2197 AromaticContact CD2-CG 3.45Å; Y2094-F2197 HydrophobicContact CD2-CG 3.45Å; Y2094-F2197 VanDerWaalsContact CD2-CG 3.45Å; Y2094-F2197 HydrophobicContact CD2-CZ 4.46Å; Y2094-F2197 HydrophobicContact CE2-CB 3.98Å; Y2094-F2197 HydrophobicContact CE2-CD1 4.34Å; Y2094-F2197 HydrophobicContact CE2-CG 4.13Å; Y2094-F2197 HydrophobicContact CG-CD2 4.15Å; Y2094-F2197 HydrophobicContact CG-CE2 4.19Å; Y2094-F2197 HydrophobicContact CG-CG 4.29Å; Y2094-F2197 HydrophobicContact CG-CZ 4.42Å; Y2094-T2200 PolarHBondContact OH-OG1 3.49Å; Y2094-P2223 HydrophobicContact CE1-CB 4.45Å; Y2094-P2223 HydrophobicContact CE1-CG 3.95Å; Y2094-P2223 HydrophobicContact CE2-CB 4.24Å |
| 2095 | S | 54.2 | Low | 46.3 | Very low | 21 Ų | 21 | 56.6 Ų | 56.6 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 115 | -178.5 | 42.7 | 0 | 0 | 0 | 0 | 109.9 | I1712 Y1959 P2097 | I1712-S2095 VanDerWaalsContact CD1-O 3.31Å; I1712-S2095 WeakPolarHBondContact CD1-O 3.45Å; Y1959-S2095 PolarHBondContact OH-OG 2.65Å; S2095-P2097 WeakPolarHBondContact O-CD 3.31Å |
| 2096 | Q | 43.1 | Very low | 45.8 | Very low | 28 Ų | 28 | 61.5 Ų | 61.5 | 13% | 0.131 | 30% | 0.298 | C | S | . | . | trans | -96.4 | 106.6 | 172.2 | -141.4 | 170.7 | 15.2 | 0 | 0 | 108.3 | T1711 Y2094 L2098 T2200 | T1711-Q2096 HydrophobicContact CG2-CB 4.49Å; T1711-Q2096 HydrophobicContact CG2-CG 3.68Å; T1711-Q2096 PolarHBondContact OG1-NE2 3.06Å; T1711-Q2096 VanDerWaalsContact OG1-NE2 3.09Å; Y2094-Q2096 HydrophobicContact CE1-CB 4.44Å; Q2096-L2098 PolarHBondContact O-N 3.06Å; Q2096-T2200 PolarHBondContact NE2-OG1 3.42Å; Q2096-T2200 VanDerWaalsContact NE2-OG1 3.08Å | ||
| 2097 | P | 42.4 | Very low | 44.9 | Very low | 96 Ų | 96 | 66.3 Ų | 66.3 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | trans | -74.9 | 112.1 | 178.6 | 30.3 | -30.4 | 0 | 0 | 0 | 108.8 | T1711 S2095 | T1711-P2097 VanDerWaalsContact CG2-CD 3.45Å; T1711-P2097 HydrophobicContact CG2-CG 4.37Å; S2095-P2097 WeakPolarHBondContact O-CD 3.31Å | ||
| 2098 | L | 32.6 | Very low | 44.2 | Very low | 104 Ų | 104 | 72.7 Ų | 72.7 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | trans | -78.4 | 146.2 | 160.4 | -74.1 | 165.7 | 0 | 0 | 0 | 108.1 | Q2096 Y2100 E2130 | Q2096-L2098 PolarHBondContact O-N 3.06Å; L2098-Y2100 PolarHBondContact O-N 3.3Å; L2098-E2130 HydrophobicContact CD1-CG 4.26Å | ||
| 2099 | L | 33.2 | Very low | 43.5 | Very low | 122 Ų | 122 | 79.9 Ų | 79.9 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -74.9 | 26.9 | -169.7 | -147.1 | 83.3 | 0 | 0 | 0 | 113.5 | Y2102 Y2103 | L2099-Y2102 HydrophobicContact CD2-CD1 4.41Å; L2099-Y2103 HydrophobicContact CD2-CD2 4.4Å; L2099-Y2103 HydrophobicContact CD2-CE2 4.04Å; L2099-Y2103 PolarHBondContact O-N 3.08Å |
| 2100 | Y | 33.4 | Very low | 42.5 | Very low | 147 Ų | 147 | 84.9 Ų | 84.9 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -75.4 | -46 | -158.4 | -140.8 | -98.7 | 0 | 0 | 0 | 112.6 | L2098 Y2102 Y2103 L2104 | L2098-Y2100 PolarHBondContact O-N 3.3Å; Y2100-Y2102 VanDerWaalsContact C-N 3.27Å; Y2100-Y2102 PolarHBondContact O-N 3.15Å; Y2100-Y2103 PolarHBondContact O-N 3.43Å; Y2100-Y2103 VanDerWaalsContact O-N 3.14Å; Y2100-L2104 HydrophobicContact CD1-CD1 4.33Å; Y2100-L2104 WeakPolarHBondContact O-CB 3.39Å; Y2100-L2104 PolarHBondContact O-N 3.03Å |
| 2101 | D | 33.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 91.6 Ų | 91.6 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.8 | -32 | 179 | -79 | -34 | 0 | 0 | 0 | 113.2 | L2104 H2105 | D2101-L2104 PolarHBondContact O-N 2.88Å; D2101-H2105 PolarHBondContact O-N 3.35Å |
| 2102 | Y | 34.3 | Very low | 40 | Very low | 134 Ų | 134 | 99.3 Ų | 99.3 | 53% | 0.525 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 173.2 | -178.2 | -90.6 | 0 | 0 | 0 | 110.9 | L2099 Y2100 H2105 Q2106 | L2099-Y2102 HydrophobicContact CD2-CD1 4.41Å; Y2100-Y2102 VanDerWaalsContact C-N 3.27Å; Y2100-Y2102 PolarHBondContact O-N 3.15Å; Y2102-H2105 PolarHBondContact O-N 2.94Å; Y2102-Q2106 PolarHBondContact O-N 3.39Å; Y2102-Q2106 VanDerWaalsContact O-N 3.07Å |
| 2103 | Y | 29.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 107.1 Ų | 107.1 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 175 | -86.6 | -73.4 | 0 | 0 | 0 | 112.7 | L2099 Y2100 H2105 Q2106 L2107 | L2099-Y2103 HydrophobicContact CD2-CD2 4.4Å; L2099-Y2103 HydrophobicContact CD2-CE2 4.04Å; L2099-Y2103 PolarHBondContact O-N 3.08Å; Y2100-Y2103 PolarHBondContact O-N 3.43Å; Y2100-Y2103 VanDerWaalsContact O-N 3.14Å; Y2103-H2105 VanDerWaalsContact C-N 3.29Å; Y2103-H2105 PolarHBondContact O-N 3.09Å; Y2103-Q2106 PolarHBondContact O-N 2.91Å; Y2103-L2107 VanDerWaalsContact O-CB 3.28Å; Y2103-L2107 WeakPolarHBondContact O-CB 3.4Å; Y2103-L2107 VanDerWaalsContact O-CG 3.26Å; Y2103-L2107 WeakPolarHBondContact O-CG 3.44Å; Y2103-L2107 PolarHBondContact O-N 3.25Å |
| 2104 | L | 32.1 | Very low | 37.4 | Very low | 69 Ų | 69 | 110.8 Ų | 110.8 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -29.5 | -179.7 | -138.3 | 167.6 | 0 | 0 | 0 | 111.9 | Y2100 D2101 K2108 | Y2100-L2104 HydrophobicContact CD1-CD1 4.33Å; Y2100-L2104 WeakPolarHBondContact O-CB 3.39Å; Y2100-L2104 PolarHBondContact O-N 3.03Å; D2101-L2104 PolarHBondContact O-N 2.88Å; L2104-K2108 HydrophobicContact CD2-CD 4.29Å; L2104-K2108 WeakPolarHBondContact O-CD 3.42Å; L2104-K2108 WeakPolarHBondContact O-CG 3.42Å |
| 2105 | H | 33.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 114 Ų | 114 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.9 | -41.8 | 171.2 | -148.3 | -63.1 | 0 | 0 | 0 | 112.2 | D2101 Y2102 Y2103 K2108 | D2101-H2105 PolarHBondContact O-N 3.35Å; Y2102-H2105 PolarHBondContact O-N 2.94Å; Y2103-H2105 VanDerWaalsContact C-N 3.29Å; Y2103-H2105 PolarHBondContact O-N 3.09Å; H2105-K2108 PolarHBondContact O-N 3Å |
| 2106 | Q | 34.5 | Very low | 35.2 | Very low | 105 Ų | 105 | 122 Ų | 122 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.6 | -39.6 | 179.6 | -157.6 | 170.7 | 29 | 0 | 0 | 112.2 | Y2102 Y2103 K2108 E2109 | Y2102-Q2106 PolarHBondContact O-N 3.39Å; Y2102-Q2106 VanDerWaalsContact O-N 3.07Å; Y2103-Q2106 PolarHBondContact O-N 2.91Å; Q2106-K2108 PolarHBondContact O-N 2.82Å; Q2106-E2109 PolarHBondContact O-N 2.82Å |
| 2107 | L | 35.4 | Very low | 35 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 64% | 0.644 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13.7 | 175.4 | -71.9 | 167.8 | 0 | 0 | 0 | 114.1 | Y2103 | Y2103-L2107 VanDerWaalsContact O-CB 3.28Å; Y2103-L2107 WeakPolarHBondContact O-CB 3.4Å; Y2103-L2107 VanDerWaalsContact O-CG 3.26Å; Y2103-L2107 WeakPolarHBondContact O-CG 3.44Å; Y2103-L2107 PolarHBondContact O-N 3.25Å |
| 2108 | K | 35.5 | Very low | 34.6 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -14.9 | 177.1 | -87.6 | 174.4 | 179.6 | 169.8 | 0 | 113.8 | L2104 H2105 Q2106 K2112 | L2104-K2108 HydrophobicContact CD2-CD 4.29Å; L2104-K2108 WeakPolarHBondContact O-CD 3.42Å; L2104-K2108 WeakPolarHBondContact O-CG 3.42Å; H2105-K2108 PolarHBondContact O-N 3Å; Q2106-K2108 PolarHBondContact O-N 2.82Å; K2108-K2112 WeakPolarHBondContact O-CE 3.37Å |
| 2109 | E | 38.1 | Very low | 34.5 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -41.6 | 176.7 | -60.5 | -166.2 | 143.1 | 0 | 0 | 111.1 | Q2106 K2111 | Q2106-E2109 PolarHBondContact O-N 2.82Å; E2109-K2111 PolarHBondContact O-N 2.88Å |
| 2110 | D | 37.2 | Very low | 34.6 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -81.9 | 101.5 | -176.8 | -112.6 | -41.2 | 0 | 0 | 0 | 113.7 | ||
| 2111 | K | 34.5 | Very low | 34.7 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | trans | 74.8 | 63.6 | 157.7 | -58.3 | 158.1 | -168.4 | 156.4 | 0 | 117.3 | E2109 Q2113 | E2109-K2111 PolarHBondContact O-N 2.88Å; K2111-Q2113 VanDerWaalsContact C-N 3.28Å; K2111-Q2113 PolarHBondContact O-N 2.74Å | ||
| 2112 | K | 34.6 | Very low | 34.6 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 14 | -177.8 | -64.3 | -178.3 | 177.2 | 174 | 0 | 119.9 | K2108 | K2108-K2112 WeakPolarHBondContact O-CE 3.37Š|
| 2113 | Q | 38.6 | Very low | 34.3 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 85% | 0.846 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | -32.1 | -176.3 | -78.9 | -170 | -13.8 | 0 | 0 | 117.6 | K2111 | K2111-Q2113 VanDerWaalsContact C-N 3.28Å; K2111-Q2113 PolarHBondContact O-N 2.74Å |
| 2114 | T | 36.6 | Very low | 34.2 | Very low | 99 Ų | 99 | 121 Ų | 121 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -17.7 | -179.7 | 40.2 | 0 | 0 | 0 | 0 | 114 | S2117 | T2114-S2117 PolarHBondContact O-OG 3.34Å; T2114-S2117 VanDerWaalsContact O-OG 3.11Å |
| 2115 | I | 34.4 | Very low | 34 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 34% | 0.338 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -82.2 | -22.6 | -170.5 | -57.1 | 177.5 | 0 | 0 | 0 | 112.3 | S2117 I2118 I2119 | I2115-S2117 PolarHBondContact O-N 3.19Å; I2115-I2118 PolarHBondContact O-N 2.9Å; I2115-I2119 HydrophobicContact CG2-CD1 3.7Å; I2115-I2119 HydrophobicContact CG2-CG1 3.9Å; I2115-I2119 PolarHBondContact O-N 3.06Å |
| 2116 | Y | 33 | Very low | 34 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.5 | -20.5 | -176.6 | -126.6 | -73.3 | 0 | 0 | 0 | 114.3 | ||
| 2117 | S | 37.3 | Very low | 33.9 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.7 | -34.7 | 170.1 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | T2114 I2115 K2120 S2121 | T2114-S2117 PolarHBondContact O-OG 3.34Å; T2114-S2117 VanDerWaalsContact O-OG 3.11Å; I2115-S2117 PolarHBondContact O-N 3.19Å; S2117-K2120 PolarHBondContact O-N 3.11Å; S2117-S2121 PolarHBondContact O-N 3.26Å; S2117-S2121 PolarHBondContact O-OG 2.99Å |
| 2118 | I | 34.1 | Very low | 33.9 | Very low | 82 Ų | 82 | 130 Ų | 130 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.2 | -44.4 | 178.9 | -59.5 | 173.7 | 0 | 0 | 0 | 110.3 | I2115 K2120 S2121 D2122 | I2115-I2118 PolarHBondContact O-N 2.9Å; I2118-K2120 PolarHBondContact O-N 3Å; I2118-S2121 WeakPolarHBondContact CA-OG 3.36Å; I2118-S2121 PolarHBondContact O-N 2.84Å; I2118-S2121 PolarHBondContact O-OG 2.81Å; I2118-S2121 VanDerWaalsContact O-OG 3.09Å; I2118-D2122 WeakPolarHBondContact CG2-OD2 3.48Å; I2118-D2122 PolarHBondContact O-N 2.74Å |
| 2119 | I | 31.9 | Very low | 33.9 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.2 | -19.7 | 174.2 | -69.6 | 171.5 | 0 | 0 | 0 | 112.6 | I2115 M2123 | I2115-I2119 HydrophobicContact CG2-CD1 3.7Å; I2115-I2119 HydrophobicContact CG2-CG1 3.9Å; I2115-I2119 PolarHBondContact O-N 3.06Å; I2119-M2123 HydrophobicContact CG2-CG 4.44Å; I2119-M2123 WeakPolarHBondContact O-CG 3.13Å |
| 2120 | K | 34.4 | Very low | 34.2 | Very low | 184 Ų | 184 | 122.3 Ų | 122.3 | 80% | 0.8 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -7.6 | 174.8 | -90.3 | -169 | 172 | -175.2 | 0 | 115.4 | S2117 I2118 | S2117-K2120 PolarHBondContact O-N 3.11Å; I2118-K2120 PolarHBondContact O-N 3Å |
| 2121 | S | 34.9 | Very low | 34.5 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 49% | 0.49 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -42.9 | 175.2 | 24.9 | 0 | 0 | 0 | 0 | 111.8 | S2117 I2118 | S2117-S2121 PolarHBondContact O-N 3.26Å; S2117-S2121 PolarHBondContact O-OG 2.99Å; I2118-S2121 WeakPolarHBondContact CA-OG 3.36Å; I2118-S2121 PolarHBondContact O-N 2.84Å; I2118-S2121 PolarHBondContact O-OG 2.81Å; I2118-S2121 VanDerWaalsContact O-OG 3.09Å |
| 2122 | D | 33 | Very low | 35.5 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -96.9 | 5.7 | -165 | -59.3 | -7.9 | 0 | 0 | 0 | 113.8 | I2118 N2124 | I2118-D2122 WeakPolarHBondContact CG2-OD2 3.48Å; I2118-D2122 PolarHBondContact O-N 2.74Å; D2122-N2124 PolarHBondContact O-N 3.33Å |
| 2123 | M | 26.6 | Very low | 36.6 | Very low | 100 Ų | 100 | 105.6 Ų | 105.6 | 49% | 0.493 | 53% | 0.529 | S | S | . | . | trans | -78.4 | 27.9 | 176.6 | -78 | -76 | -81.3 | 0 | 0 | 113.9 | I2119 Y2155 | I2119-M2123 HydrophobicContact CG2-CG 4.44Å; I2119-M2123 WeakPolarHBondContact O-CG 3.13Å; M2123-Y2155 HydrophobicContact CE-CE2 4.28Å | ||
| 2124 | N | 28.2 | Very low | 38 | Very low | 136 Ų | 136 | 97 Ų | 97 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -110.4 | 119.4 | 172.4 | -77.9 | -31 | 0 | 0 | 0 | 109.8 | D2122 | D2122-N2124 PolarHBondContact O-N 3.33Š|
| 2125 | E | 28.3 | Very low | 38.7 | Very low | 156 Ų | 156 | 92.7 Ų | 92.7 | 73% | 0.729 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 79.8 | 143.8 | 171.6 | -46.1 | -172.3 | 167.2 | 0 | 0 | 117.4 | ||
| 2126 | Y | 33.8 | Very low | 39.8 | Very low | 198 Ų | 198 | 89.6 Ų | 89.6 | 78% | 0.776 | 45% | 0.446 | S | S | * | . | trans | 68.8 | 30.1 | 168.8 | -53.9 | -74.9 | 0 | 0 | 0 | 121.9 | Q2128 | Y2126-Q2128 PolarHBondContact O-N 3.24Å; Y2126-Q2128 VanDerWaalsContact O-N 3.13Å | ||
| 2127 | N | 31.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 81.1 Ų | 81.1 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | trans | -71.8 | 96.3 | 154.3 | -85 | -35.8 | 0 | 0 | 0 | 110.8 | ||||
| 2128 | Q | 35.9 | Very low | 41.2 | Very low | 160 Ų | 160 | 77.7 Ų | 77.7 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -74 | 124.9 | 172.2 | -68.6 | -169.7 | -2.5 | 0 | 0 | 110.9 | Y2126 | Y2126-Q2128 PolarHBondContact O-N 3.24Å; Y2126-Q2128 VanDerWaalsContact O-N 3.13Å |
| 2129 | P | 35.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 73.8 Ų | 73.8 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 145.8 | -176 | 31.7 | -35.2 | 0 | 0 | 0 | 113.4 | S2131 | P2129-S2131 PolarHBondContact O-N 2.85Š|
| 2130 | E | 43.1 | Very low | 42.3 | Very low | 47 Ų | 47 | 73 Ų | 73 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 123.6 | -177.8 | -49 | -163.2 | 138.5 | 0 | 0 | 112.9 | L2098 W2132 S2149 A2152 | L2098-E2130 HydrophobicContact CD1-CG 4.26Å; E2130-W2132 PolarHBondContact O-N 3.47Å; E2130-W2132 VanDerWaalsContact O-N 3.16Å; E2130-W2132 VanDerWaalsContact OE2-CZ2 3.22Å; E2130-W2132 WeakPolarHBondContact OE2-CZ2 3.34Å; E2130-W2132 PolarHBondContact OE2-NE1 3Å; E2130-W2132 VanDerWaalsContact OE2-NE1 3.15Å; E2130-S2149 WeakPolarHBondContact O-CA 3.26Å; E2130-S2149 WeakPolarHBondContact O-CB 3.27Å; E2130-A2152 HydrophobicContact CB-CB 4.47Å |
| 2131 | S | 44.2 | Very low | 43 | Very low | 45 Ų | 45 | 65.4 Ų | 65.4 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | trans | -82 | 95.1 | -177.3 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | P2129 | P2129-S2131 PolarHBondContact O-N 2.85Š| ||
| 2132 | W | 56.8 | Low | 43.7 | Very low | 26 Ų | 26 | 67.4 Ų | 67.4 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.6 | 171.4 | -49.2 | -22 | 0 | 0 | 0 | 111.3 | F2031 Y2094 E2130 N2147 L2148 S2149 A2152 | F2031-W2132 HydrophobicContact CE1-CD2 4.18Å; F2031-W2132 AromaticContact CE1-CE3 3.49Å; F2031-W2132 HydrophobicContact CE1-CE3 3.49Å; F2031-W2132 VanDerWaalsContact CE1-CE3 3.49Å; F2031-W2132 AromaticContact CE1-CZ3 3.95Å; F2031-W2132 HydrophobicContact CE1-CZ3 3.95Å; F2031-W2132 HydrophobicContact CE2-CB 4.3Å; F2031-W2132 HydrophobicContact CZ-CB 3.67Å; F2031-W2132 HydrophobicContact CZ-CD2 4.1Å; F2031-W2132 AromaticContact CZ-CE3 3.71Å; F2031-W2132 HydrophobicContact CZ-CE3 3.71Å; F2031-W2132 HydrophobicContact CZ-CG 4.16Å; Y2094-W2132 WeakPolarHBondContact O-CA 3.2Å; E2130-W2132 PolarHBondContact O-N 3.47Å; E2130-W2132 VanDerWaalsContact O-N 3.16Å; E2130-W2132 VanDerWaalsContact OE2-CZ2 3.22Å; E2130-W2132 WeakPolarHBondContact OE2-CZ2 3.34Å; E2130-W2132 PolarHBondContact OE2-NE1 3Å; E2130-W2132 VanDerWaalsContact OE2-NE1 3.15Å; W2132-N2147 PolarHBondContact O-OD1 2.98Å; W2132-L2148 HydrophobicContact CB-CB 4.3Å; W2132-L2148 PolarHBondContact O-N 3.34Å; W2132-S2149 PolarHBondContact O-N 2.81Å; W2132-A2152 HydrophobicContact CD2-CB 4.23Å; W2132-A2152 HydrophobicContact CE3-CB 4.01Å; W2132-A2152 HydrophobicContact CH2-CB 3.41Å; W2132-A2152 VanDerWaalsContact CH2-CB 3.41Å; W2132-A2152 HydrophobicContact CZ2-CB 3.59Å; W2132-A2152 HydrophobicContact CZ3-CB 3.62Å |
| 2133 | I | 55.9 | Low | 45 | Very low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.7 | -173 | -47 | -178.1 | 0 | 0 | 0 | 110.3 | Y2094 V2145 W2146 F2197 P2223 I2244 | Y2094-I2133 WeakPolarHBondContact CA-O 3.36Å; Y2094-I2133 WeakPolarHBondContact CB-O 3.13Å; Y2094-I2133 HydrophobicContact CD1-CB 4.47Å; Y2094-I2133 HydrophobicContact CD1-CG1 4.38Å; Y2094-I2133 PolarHBondContact N-O 3.39Å; Y2094-I2133 PolarHBondContact O-N 3.42Å; I2133-V2145 HydrophobicContact CG2-CG1 3.69Å; I2133-W2146 CarbonylContact C-O 3.26Å; I2133-W2146 VanDerWaalsContact CA-O 3.3Å; I2133-W2146 WeakPolarHBondContact CA-O 3.09Å; I2133-W2146 VanDerWaalsContact CG2-O 3.31Å; I2133-W2146 WeakPolarHBondContact CG2-O 3.13Å; I2133-F2197 HydrophobicContact CB-CZ 4.12Å; I2133-F2197 HydrophobicContact CG2-CE1 4.25Å; I2133-F2197 HydrophobicContact CG2-CZ 3.76Å; I2133-P2223 HydrophobicContact CD1-CG 4.36Å; I2133-I2244 HydrophobicContact CD1-CD1 3.47Å; I2133-I2244 VanDerWaalsContact CD1-CD1 3.47Å |
| 2134 | C | 68.2 | Low | 46.7 | Very low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.7 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L2091 W2146 L2148 | L2091-C2134 WeakPolarHBondContact CD2-SG 3.48Å; C2134-W2146 HydrophobicContact CB-CB 4.25Å; C2134-W2146 PolarHBondContact N-O 3.49Å; C2134-W2146 PolarHBondContact O-N 2.81Å; C2134-L2148 HydrophobicContact CB-CD1 3.7Å; C2134-L2148 HydrophobicContact CB-CG 4.36Å |
| 2135 | L | 52.4 | Low | 48.2 | Very low | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.9 | 166 | -71.4 | 178.2 | 0 | 0 | 0 | 109.8 | N2092 L2143 V2145 F2197 | N2092-L2135 PolarHBondContact N-O 2.83Å; N2092-L2135 PolarHBondContact O-N 2.84Å; L2135-L2143 HydrophobicContact CD2-CD1 4.04Å; L2135-V2145 HydrophobicContact CD2-CB 4.3Å; L2135-V2145 HydrophobicContact CD2-CG1 4.18Å; L2135-V2145 HydrophobicContact CD2-CG2 3.8Å; L2135-F2197 HydrophobicContact CB-CE2 4.48Å; L2135-F2197 HydrophobicContact CD1-CD2 3.8Å; L2135-F2197 HydrophobicContact CD1-CE2 3.34Å; L2135-F2197 HydrophobicContact CD1-CZ 3.78Å; L2135-F2197 HydrophobicContact CD2-CE2 4.4Å; L2135-F2197 HydrophobicContact CD2-CZ 4.08Å; L2135-F2197 HydrophobicContact CG-CD2 4.39Å; L2135-F2197 HydrophobicContact CG-CE2 3.45Å; L2135-F2197 VanDerWaalsContact CG-CE2 3.45Å; L2135-F2197 HydrophobicContact CG-CZ 3.6Å |
| 2136 | A | 57.2 | Low | 49.9 | Very low | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 119.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | L1609 F1610 I2088 S2144 | L1609-A2136 HydrophobicContact CD1-CB 4.23Å; F1610-A2136 HydrophobicContact CE1-CB 4.26Å; F1610-A2136 HydrophobicContact CZ-CB 4.05Å; I2088-A2136 HydrophobicContact CD1-CB 3.75Å; I2088-A2136 HydrophobicContact CG2-CB 4Å; A2136-S2144 PolarHBondContact N-O 3.27Å; A2136-S2144 PolarHBondContact O-N 2.73Å; A2136-S2144 PolarHBondContact O-OG 3.4Å |
| 2137 | V | 51.4 | Low | 51.3 | Low | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 104.1 | -173.2 | -159.8 | 0 | 0 | 0 | 0 | 113.6 | V1733 N1734 I2088 L2143 | V1733-V2137 WeakPolarHBondContact CG1-O 3.41Å; N1734-V2137 HydrophobicContact CB-CG1 3.58Å; N1734-V2137 WeakPolarHBondContact OD1-CB 3.32Å; N1734-V2137 WeakPolarHBondContact OD1-CG1 3.25Å; I2088-V2137 WeakPolarHBondContact CG2-O 3.18Å; V2137-L2143 HydrophobicContact CG2-CD1 3.77Å |
| 2138 | G | 48.2 | Very low | 52.8 | Low | 8 Ų | 8 | 31.9 Ų | 31.9 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 142.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P2087 R2142 | P2087-G2138 WeakPolarHBondContact O-CA 3.39Å; G2138-R2142 PolarHBondContact N-O 3.09Å; G2138-R2142 PolarHBondContact O-N 3.33Å |
| 2139 | A | 42.4 | Very low | 53.7 | Low | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -10 | 132.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | H1736 M2086 P2087 | H1736-A2139 WeakPolarHBondContact CE1-CA 3.47Å; H1736-A2139 WeakPolarHBondContact CE1-CB 3.18Å; H1736-A2139 WeakPolarHBondContact NE2-CB 3.38Å; M2086-A2139 HydrophobicContact CB-CB 3.62Å; P2087-A2139 HydrophobicContact CG-CB 4.39Å; P2087-A2139 VanDerWaalsContact O-CB 3.28Å; P2087-A2139 WeakPolarHBondContact O-CB 2.94Å; P2087-A2139 PolarHBondContact O-N 2.88Å |
| 2140 | E | 47 | Very low | 54.4 | Low | 78 Ų | 78 | 23.6 Ų | 23.6 | 36% | 0.364 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 42.9 | -172.1 | -60.4 | -165.9 | 152 | 0 | 0 | 116.6 | N1734 H1736 M2086 R2142 | N1734-E2140 CarbonylContact O-C 3.57Å; N1734-E2140 PolarHBondContact O-N 3.31Å; H1736-E2140 PolarHBondContact CD2-N 3.12Å; M2086-E2140 HydrophobicContact CE-CB 3.71Å; M2086-E2140 HydrophobicContact CE-CG 3.53Å; M2086-E2140 VanDerWaalsContact CE-OE2 3.25Å; M2086-E2140 WeakPolarHBondContact CE-OE2 3.38Å; E2140-R2142 HydrophobicContact CB-CG 4.5Å; E2140-R2142 WeakPolarHBondContact O-CG 3.34Å; E2140-R2142 PolarHBondContact O-N 3.49Å; E2140-R2142 IonicContact OE2-CZ 3.2Å; E2140-R2142 IonicContact OE2-NE 2.7Å; E2140-R2142 IonicContact OE2-NH2 2.88Å; E2140-R2142 PolarHBondContact OE2-NH2 2.69Å |
| 2141 | N | 48.6 | Very low | 54.5 | Low | 26 Ų | 26 | 22.2 Ų | 22.2 | 14% | 0.139 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 32.3 | 163.9 | -125.9 | -9.8 | 0 | 0 | 0 | 113.4 | N1734 S1735 L2169 | N1734-N2141 VanDerWaalsContact C-N 3.3Å; N1734-N2141 WeakPolarHBondContact O-CA 3.29Å; N1734-N2141 PolarHBondContact O-N 3.19Å; S1735-N2141 WeakPolarHBondContact CA-OD1 3.28Å; S1735-N2141 WeakPolarHBondContact CB-ND2 3.42Å; S1735-N2141 PolarHBondContact N-OD1 3.08Å; N2141-L2169 WeakPolarHBondContact O-CD1 3.08Å; N2141-L2169 VanDerWaalsContact OD1-CD1 3.31Å; N2141-L2169 WeakPolarHBondContact OD1-CD1 3.36Å |
| 2142 | R | 49.3 | Very low | 54.5 | Low | 111 Ų | 111 | 21.5 Ų | 21.5 | 42% | 0.419 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 83.6 | -167.4 | -49.7 | -167 | -175.2 | -170.4 | 4.7 | 112.3 | G2138 E2140 S2144 | G2138-R2142 PolarHBondContact N-O 3.09Å; G2138-R2142 PolarHBondContact O-N 3.33Å; E2140-R2142 HydrophobicContact CB-CG 4.5Å; E2140-R2142 WeakPolarHBondContact O-CG 3.34Å; E2140-R2142 PolarHBondContact O-N 3.49Å; E2140-R2142 IonicContact OE2-CZ 3.2Å; E2140-R2142 IonicContact OE2-NE 2.7Å; E2140-R2142 IonicContact OE2-NH2 2.88Å; E2140-R2142 PolarHBondContact OE2-NH2 2.69Å; R2142-S2144 PolarHBondContact O-N 3.25Å |
| 2143 | L | 60.5 | Low | 53.8 | Low | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 113.6 | 169.7 | -177.1 | 70.9 | 0 | 0 | 0 | 109.7 | L2135 V2137 L2167 A2195 I2227 | L2135-L2143 HydrophobicContact CD2-CD1 4.04Å; V2137-L2143 HydrophobicContact CG2-CD1 3.77Å; L2143-L2167 PolarHBondContact O-N 2.88Å; L2143-A2195 HydrophobicContact CD1-CB 3.98Å; L2143-A2195 HydrophobicContact CD2-CB 3.62Å; L2143-A2195 HydrophobicContact CG-CB 4.44Å; L2143-I2227 HydrophobicContact CD2-CD1 4.22Å |
| 2144 | S | 61.9 | Low | 53.1 | Low | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.035 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.9 | 175 | 74 | 0 | 0 | 0 | 0 | 111.1 | A2136 R2142 W2146 | A2136-S2144 PolarHBondContact N-O 3.27Å; A2136-S2144 PolarHBondContact O-N 2.73Å; A2136-S2144 PolarHBondContact O-OG 3.4Å; R2142-S2144 PolarHBondContact O-N 3.25Å; S2144-W2146 PolarHBondContact OG-NE1 3.33Å |
| 2145 | V | 59.8 | Low | 51.5 | Low | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 113.5 | -177.4 | -167.6 | 0 | 0 | 0 | 0 | 109.3 | I2133 L2135 L2164 A2165 I2225 | I2133-V2145 HydrophobicContact CG2-CG1 3.69Å; L2135-V2145 HydrophobicContact CD2-CB 4.3Å; L2135-V2145 HydrophobicContact CD2-CG1 4.18Å; L2135-V2145 HydrophobicContact CD2-CG2 3.8Å; V2145-L2164 HydrophobicContact CG1-CD1 4.34Å; V2145-L2164 PolarHBondContact O-N 3.07Å; V2145-A2165 PolarHBondContact N-O 2.67Å; V2145-I2225 HydrophobicContact CG1-CD1 4.41Å; V2145-I2225 HydrophobicContact CG2-CD1 4.47Å |
| 2146 | W | 64 | Low | 50.6 | Low | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.6 | -173.9 | -61.8 | 83.7 | 0 | 0 | 0 | 111.5 | F1610 L2079 I2133 C2134 S2144 F2161 L2163 | F1610-W2146 HydrophobicContact CE1-CZ2 4.2Å; F1610-W2146 AromaticContact CZ-CZ2 3.97Å; F1610-W2146 HydrophobicContact CZ-CZ2 3.97Å; F1610-W2146 AromaticContact CZ-NE1 3.71Å; L2079-W2146 HydrophobicContact CD2-CH2 4.33Å; L2079-W2146 HydrophobicContact CD2-CZ2 3.81Å; L2079-W2146 HydrophobicContact CG-CZ2 4.07Å; I2133-W2146 CarbonylContact C-O 3.26Å; I2133-W2146 VanDerWaalsContact CA-O 3.3Å; I2133-W2146 WeakPolarHBondContact CA-O 3.09Å; I2133-W2146 VanDerWaalsContact CG2-O 3.31Å; I2133-W2146 WeakPolarHBondContact CG2-O 3.13Å; C2134-W2146 HydrophobicContact CB-CB 4.25Å; C2134-W2146 PolarHBondContact N-O 3.49Å; C2134-W2146 PolarHBondContact O-N 2.81Å; S2144-W2146 PolarHBondContact OG-NE1 3.33Å; W2146-F2161 HydrophobicContact CE3-CB 3.93Å; W2146-F2161 HydrophobicContact CZ3-CB 4.23Å; W2146-L2163 HydrophobicContact CD2-CD1 4.19Å; W2146-L2163 HydrophobicContact CE3-CB 4.14Å; W2146-L2163 HydrophobicContact CH2-CB 4.4Å; W2146-L2163 HydrophobicContact CZ2-CD1 4.17Å; W2146-L2163 HydrophobicContact CZ3-CB 4.09Å |
| 2147 | N | 63.5 | Low | 49.6 | Very low | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.3 | 168.2 | -169.9 | 11.4 | 0 | 0 | 0 | 110.6 | W2132 S2149 Y2162 L2164 | W2132-N2147 PolarHBondContact O-OD1 2.98Å; N2147-S2149 PolarHBondContact ND2-OG 2.71Å; N2147-S2149 WeakPolarHBondContact OD1-CB 3.35Å; N2147-S2149 PolarHBondContact OD1-N 2.89Å; N2147-S2149 PolarHBondContact OD1-OG 2.84Å; N2147-S2149 VanDerWaalsContact OD1-OG 3.06Å; N2147-Y2162 PolarHBondContact N-O 2.9Å; N2147-Y2162 PolarHBondContact O-N 3.18Å; N2147-L2164 HydrophobicContact CB-CD1 3.93Å; N2147-L2164 HydrophobicContact CB-CD2 3.73Å; N2147-L2164 HydrophobicContact CB-CG 3.69Å |
| 2148 | L | 62.5 | Low | 49 | Very low | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | trans | -112.2 | 0.8 | 178.4 | -57.4 | 178.9 | 0 | 0 | 0 | 111.8 | F2031 I2037 W2132 C2134 I2150 C2151 F2161 | F2031-L2148 HydrophobicContact CD2-CD1 4.36Å; F2031-L2148 HydrophobicContact CE1-CD1 4.3Å; F2031-L2148 HydrophobicContact CE2-CD1 3.54Å; F2031-L2148 HydrophobicContact CZ-CB 3.87Å; F2031-L2148 HydrophobicContact CZ-CD1 3.49Å; F2031-L2148 VanDerWaalsContact CZ-CD1 3.49Å; F2031-L2148 HydrophobicContact CZ-CG 4.32Å; I2037-L2148 HydrophobicContact CD1-CD1 4.26Å; W2132-L2148 HydrophobicContact CB-CB 4.3Å; W2132-L2148 PolarHBondContact O-N 3.34Å; C2134-L2148 HydrophobicContact CB-CD1 3.7Å; C2134-L2148 HydrophobicContact CB-CG 4.36Å; L2148-I2150 PolarHBondContact O-N 3.29Å; L2148-I2150 VanDerWaalsContact O-N 3.12Å; L2148-C2151 WeakPolarHBondContact O-CB 3.26Å; L2148-C2151 PolarHBondContact O-N 2.73Å; L2148-F2161 HydrophobicContact CD2-CB 4.28Å; L2148-F2161 HydrophobicContact CD2-CD1 3.36Å; L2148-F2161 HydrophobicContact CD2-CE1 3.86Å; L2148-F2161 HydrophobicContact CD2-CG 3.98Å | ||
| 2149 | S | 56.3 | Low | 48.6 | Very low | 11 Ų | 11 | 53.7 Ų | 53.7 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -52.7 | -34.4 | -178.1 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | E2130 W2132 N2147 C2151 A2152 | E2130-S2149 WeakPolarHBondContact O-CA 3.26Å; E2130-S2149 WeakPolarHBondContact O-CB 3.27Å; W2132-S2149 PolarHBondContact O-N 2.81Å; N2147-S2149 PolarHBondContact ND2-OG 2.71Å; N2147-S2149 WeakPolarHBondContact OD1-CB 3.35Å; N2147-S2149 PolarHBondContact OD1-N 2.89Å; N2147-S2149 PolarHBondContact OD1-OG 2.84Å; N2147-S2149 VanDerWaalsContact OD1-OG 3.06Å; S2149-C2151 PolarHBondContact O-N 2.71Å; S2149-A2152 WeakPolarHBondContact O-CB 3.34Å; S2149-A2152 PolarHBondContact O-N 2.69Å |
| 2150 | I | 48.5 | Very low | 48.5 | Very low | 51 Ų | 51 | 61.4 Ų | 61.4 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -71.3 | -23.6 | -176.8 | -67 | 166.2 | 0 | 0 | 0 | 110.9 | L2148 A2152 N2153 H2156 Y2162 | L2148-I2150 PolarHBondContact O-N 3.29Å; L2148-I2150 VanDerWaalsContact O-N 3.12Å; I2150-A2152 VanDerWaalsContact C-N 3.27Å; I2150-A2152 PolarHBondContact O-N 2.68Å; I2150-N2153 PolarHBondContact O-N 2.75Å; I2150-H2156 HydrophobicContact CG2-CB 4.24Å; I2150-Y2162 HydrophobicContact CD1-CD2 3.63Å; I2150-Y2162 HydrophobicContact CD1-CE2 3.5Å; I2150-Y2162 VanDerWaalsContact CD1-CE2 3.5Å; I2150-Y2162 HydrophobicContact CD1-CG 4.49Å |
| 2151 | C | 46.7 | Very low | 48.7 | Very low | 18 Ų | 18 | 58.3 Ų | 58.3 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -73.9 | -15.9 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | L2148 S2149 | L2148-C2151 WeakPolarHBondContact O-CB 3.26Å; L2148-C2151 PolarHBondContact O-N 2.73Å; S2149-C2151 PolarHBondContact O-N 2.71Å |
| 2152 | A | 44.3 | Very low | 48.6 | Very low | 31 Ų | 31 | 62.8 Ų | 62.8 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -75.3 | -25.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2130 W2132 S2149 I2150 P2154 | E2130-A2152 HydrophobicContact CB-CB 4.47Å; W2132-A2152 HydrophobicContact CD2-CB 4.23Å; W2132-A2152 HydrophobicContact CE3-CB 4.01Å; W2132-A2152 HydrophobicContact CH2-CB 3.41Å; W2132-A2152 VanDerWaalsContact CH2-CB 3.41Å; W2132-A2152 HydrophobicContact CZ2-CB 3.59Å; W2132-A2152 HydrophobicContact CZ3-CB 3.62Å; S2149-A2152 WeakPolarHBondContact O-CB 3.34Å; S2149-A2152 PolarHBondContact O-N 2.69Å; I2150-A2152 VanDerWaalsContact C-N 3.27Å; I2150-A2152 PolarHBondContact O-N 2.68Å; A2152-P2154 WeakPolarHBondContact O-CD 3.39Å |
| 2153 | N | 42 | Very low | 48.8 | Very low | 42 Ų | 42 | 60.9 Ų | 60.9 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | trans | -102.3 | 106.8 | -168.3 | -169.2 | -22.7 | 0 | 0 | 0 | 111.4 | I2150 Y2155 H2156 | I2150-N2153 PolarHBondContact O-N 2.75Å; N2153-Y2155 PolarHBondContact O-N 2.8Å; N2153-Y2155 PolarHBondContact OD1-N 2.93Å; N2153-H2156 PolarHBondContact O-N 3.15Å | ||
| 2154 | P | 40.2 | Very low | 48.2 | Very low | 119 Ų | 119 | 62.5 Ų | 62.5 | 77% | 0.773 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.7 | -168.7 | 27.5 | -36.3 | 0 | 0 | 0 | 114.8 | A2152 | A2152-P2154 WeakPolarHBondContact O-CD 3.39Š|
| 2155 | Y | 35.5 | Very low | 47.5 | Very low | 179 Ų | 179 | 62.6 Ų | 62.6 | 70% | 0.702 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -14.3 | 179.1 | -66.8 | -77.1 | 0 | 0 | 0 | 114.2 | M2123 N2153 | M2123-Y2155 HydrophobicContact CE-CE2 4.28Å; N2153-Y2155 PolarHBondContact O-N 2.8Å; N2153-Y2155 PolarHBondContact OD1-N 2.93Å |
| 2156 | H | 32.4 | Very low | 47.7 | Very low | 129 Ų | 129 | 70.6 Ų | 70.6 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -98.7 | 136.2 | 175.9 | -98.8 | -85.6 | 0 | 0 | 0 | 111.8 | I2150 N2153 P2158 | I2150-H2156 HydrophobicContact CG2-CB 4.24Å; N2153-H2156 PolarHBondContact O-N 3.15Å; H2156-P2158 VanDerWaalsContact O-CD 3.28Å; H2156-P2158 WeakPolarHBondContact O-CD 3.44Å; H2156-P2158 VanDerWaalsContact O-N 3.1Å |
| 2157 | N | 36.4 | Very low | 47 | Very low | 120 Ų | 120 | 71 Ų | 71 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | trans | -61.8 | 110.1 | -175.9 | -171 | -5.5 | 0 | 0 | 0 | 110.7 | L2159 | N2157-L2159 PolarHBondContact O-N 3.44Å; N2157-L2159 VanDerWaalsContact OD1-CD1 3.28Å; N2157-L2159 WeakPolarHBondContact OD1-CD1 3.19Å; N2157-L2159 WeakPolarHBondContact OD1-CG 3.18Å | ||
| 2158 | P | 39.2 | Very low | 46.5 | Very low | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 35% | 0.352 | S | S | . | . | trans | -76.2 | 8.9 | -159.9 | 30 | -37.1 | 0 | 0 | 0 | 114.9 | I2074 I2075 H2156 R2160 | I2074-P2158 HydrophobicContact CG2-CB 4.27Å; I2075-P2158 HydrophobicContact CD1-CB 4.25Å; I2075-P2158 HydrophobicContact CD1-CG 4.03Å; H2156-P2158 VanDerWaalsContact O-CD 3.28Å; H2156-P2158 WeakPolarHBondContact O-CD 3.44Å; H2156-P2158 VanDerWaalsContact O-N 3.1Å; P2158-R2160 PolarHBondContact O-N 3.05Å | ||
| 2159 | L | 39.9 | Very low | 46.4 | Very low | 103 Ų | 103 | 72 Ų | 72 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | trans | -68.3 | 3.5 | -165.7 | -79.9 | 167.1 | 0 | 0 | 0 | 116.8 | I2075 N2157 | I2075-L2159 HydrophobicContact CD1-CD2 3.82Å; I2075-L2159 HydrophobicContact CD1-CG 4.18Å; I2075-L2159 HydrophobicContact CG1-CD2 3.98Å; N2157-L2159 PolarHBondContact O-N 3.44Å; N2157-L2159 VanDerWaalsContact OD1-CD1 3.28Å; N2157-L2159 WeakPolarHBondContact OD1-CD1 3.19Å; N2157-L2159 WeakPolarHBondContact OD1-CG 3.18Å | ||
| 2160 | R | 40.1 | Very low | 46.1 | Very low | 163 Ų | 163 | 79.3 Ų | 79.3 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | trans | -146.1 | 129.1 | -179.4 | -68.3 | -173.1 | 178.2 | 151.7 | 2.9 | 113.6 | P2158 Y2162 | P2158-R2160 PolarHBondContact O-N 3.05Å; R2160-Y2162 HydrophobicContact CB-CE2 4.05Å | ||
| 2161 | F | 50.5 | Low | 46.3 | Very low | 13 Ų | 13 | 78.9 Ų | 78.9 | 6% | 0.057 | 39% | 0.386 | C | S | . | . | trans | -84.5 | 140.1 | 160.1 | -52.6 | -55.5 | 0 | 0 | 0 | 109 | L2047 I2075 W2146 L2148 | L2047-F2161 HydrophobicContact CB-CZ 4.46Å; I2075-F2161 HydrophobicContact CG2-CE2 4.34Å; I2075-F2161 HydrophobicContact CG2-CZ 4.34Å; W2146-F2161 HydrophobicContact CE3-CB 3.93Å; W2146-F2161 HydrophobicContact CZ3-CB 4.23Å; L2148-F2161 HydrophobicContact CD2-CB 4.28Å; L2148-F2161 HydrophobicContact CD2-CD1 3.36Å; L2148-F2161 HydrophobicContact CD2-CE1 3.86Å; L2148-F2161 HydrophobicContact CD2-CG 3.98Å | ||
| 2162 | Y | 47.3 | Very low | 46.4 | Very low | 120 Ų | 120 | 78.5 Ų | 78.5 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 109.7 | -179.5 | -73.3 | -103.4 | 0 | 0 | 0 | 109.9 | N2147 I2150 R2160 L2164 | N2147-Y2162 PolarHBondContact N-O 2.9Å; N2147-Y2162 PolarHBondContact O-N 3.18Å; I2150-Y2162 HydrophobicContact CD1-CD2 3.63Å; I2150-Y2162 HydrophobicContact CD1-CE2 3.5Å; I2150-Y2162 VanDerWaalsContact CD1-CE2 3.5Å; I2150-Y2162 HydrophobicContact CD1-CG 4.49Å; R2160-Y2162 HydrophobicContact CB-CE2 4.05Å; Y2162-L2164 PolarHBondContact O-N 3.5Å |
| 2163 | L | 52.7 | Low | 46.4 | Very low | 70 Ų | 70 | 83.2 Ų | 83.2 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 105.1 | 163.2 | -179.4 | 71.2 | 0 | 0 | 0 | 107.7 | W2146 A2165 | W2146-L2163 HydrophobicContact CD2-CD1 4.19Å; W2146-L2163 HydrophobicContact CE3-CB 4.14Å; W2146-L2163 HydrophobicContact CH2-CB 4.4Å; W2146-L2163 HydrophobicContact CZ2-CD1 4.17Å; W2146-L2163 HydrophobicContact CZ3-CB 4.09Å; L2163-A2165 WeakPolarHBondContact CD1-O 3.41Å |
| 2164 | L | 47.8 | Very low | 46.6 | Very low | 39 Ų | 39 | 84.6 Ų | 84.6 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | -43.9 | 178.6 | -68.7 | 178.5 | 0 | 0 | 0 | 110.6 | V2145 N2147 Y2162 I2244 I2248 | V2145-L2164 HydrophobicContact CG1-CD1 4.34Å; V2145-L2164 PolarHBondContact O-N 3.07Å; N2147-L2164 HydrophobicContact CB-CD1 3.93Å; N2147-L2164 HydrophobicContact CB-CD2 3.73Å; N2147-L2164 HydrophobicContact CB-CG 3.69Å; Y2162-L2164 PolarHBondContact O-N 3.5Å; L2164-I2244 HydrophobicContact CD1-CG2 4.03Å; L2164-I2248 HydrophobicContact CD2-CD1 4.28Å |
| 2165 | A | 48.3 | Very low | 46.6 | Very low | 8 Ų | 8 | 83.8 Ų | 83.8 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 148.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V2145 L2163 L2247 | V2145-A2165 PolarHBondContact N-O 2.67Å; L2163-A2165 WeakPolarHBondContact CD1-O 3.41Å; A2165-L2247 HydrophobicContact CB-CD2 3.65Å |
| 2166 | W | 63.5 | Low | 46.8 | Very low | 173 Ų | 173 | 81.3 Ų | 81.3 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.6 | 150.7 | 125.7 | 59.1 | 0 | 0 | 0 | 106.1 | ||
| 2167 | L | 49.3 | Very low | 46.9 | Very low | 20 Ų | 20 | 82 Ų | 82 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 110.7 | 172.9 | -173.7 | 147.5 | 0 | 0 | 0 | 108.2 | L2143 L2169 L2172 L2247 | L2143-L2167 PolarHBondContact O-N 2.88Å; L2167-L2169 HydrophobicContact CD2-CD2 4.12Å; L2167-L2169 PolarHBondContact O-N 2.77Å; L2167-L2172 HydrophobicContact CD2-CD1 3.94Å; L2167-L2172 HydrophobicContact CD2-CD2 3.76Å; L2167-L2172 HydrophobicContact CD2-CG 4.23Å; L2167-L2247 HydrophobicContact CD1-CD2 4.03Å |
| 2168 | P | 53.1 | Low | 46.8 | Very low | 54 Ų | 54 | 83.2 Ų | 83.2 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.6 | 178.5 | 28.5 | -30 | 0 | 0 | 0 | 107.7 | E2170 S2171 | P2168-E2170 PolarHBondContact O-N 3Å; P2168-S2171 PolarHBondContact O-N 3.26Å; P2168-S2171 VanDerWaalsContact O-N 3.09Å; P2168-S2171 PolarHBondContact O-OG 3.26Å; P2168-S2171 VanDerWaalsContact O-OG 3.12Å |
| 2169 | L | 59.6 | Low | 46.4 | Very low | 4 Ų | 4 | 88 Ų | 88 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.5 | -172.2 | -63.9 | 167.2 | 0 | 0 | 0 | 113 | R1800 N2141 L2167 L2172 Y2193 | R1800-L2169 HydrophobicContact CB-CD2 4.23Å; N2141-L2169 WeakPolarHBondContact O-CD1 3.08Å; N2141-L2169 VanDerWaalsContact OD1-CD1 3.31Å; N2141-L2169 WeakPolarHBondContact OD1-CD1 3.36Å; L2167-L2169 HydrophobicContact CD2-CD2 4.12Å; L2167-L2169 PolarHBondContact O-N 2.77Å; L2169-L2172 HydrophobicContact CB-CD1 4.35Å; L2169-L2172 HydrophobicContact CD2-CD1 4.04Å; L2169-L2172 WeakPolarHBondContact O-CD1 3.44Å; L2169-Y2193 HydrophobicContact CB-CD1 4.25Å; L2169-Y2193 HydrophobicContact CB-CD2 3.52Å; L2169-Y2193 HydrophobicContact CB-CE1 4.34Å; L2169-Y2193 HydrophobicContact CB-CE2 3.58Å; L2169-Y2193 HydrophobicContact CB-CG 3.89Å; L2169-Y2193 HydrophobicContact CD1-CD2 4.14Å; L2169-Y2193 HydrophobicContact CD1-CG 3.95Å; L2169-Y2193 HydrophobicContact CD2-CD1 3.94Å; L2169-Y2193 HydrophobicContact CD2-CE1 4.4Å; L2169-Y2193 HydrophobicContact CD2-CG 4.07Å; L2169-Y2193 HydrophobicContact CG-CD2 4.28Å; L2169-Y2193 HydrophobicContact CG-CG 4.18Å; L2169-Y2193 WeakPolarHBondContact O-CE2 3.07Å; L2169-Y2193 PolarHBondContact O-OH 2.85Å |
| 2170 | E | 52 | Low | 46.1 | Very low | 166 Ų | 166 | 90.5 Ų | 90.5 | 78% | 0.776 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -20.7 | 172.1 | -61.3 | -177.7 | 160.7 | 0 | 0 | 114.2 | P2168 L2172 | P2168-E2170 PolarHBondContact O-N 3Å; E2170-L2172 PolarHBondContact O-N 3.19Å |
| 2171 | S | 50.7 | Low | 45.8 | Very low | 41 Ų | 41 | 88.3 Ų | 88.3 | 29% | 0.287 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -79.3 | 46.4 | -175.1 | 71.5 | 0 | 0 | 0 | 0 | 113 | D1797 P2168 | D1797-S2171 WeakPolarHBondContact CA-O 3.32Å; D1797-S2171 VanDerWaalsContact CB-O 3.29Å; D1797-S2171 WeakPolarHBondContact CB-O 3.45Å; D1797-S2171 WeakPolarHBondContact OD1-CA 3.47Å; D1797-S2171 WeakPolarHBondContact OD1-CB 3.43Å; P2168-S2171 PolarHBondContact O-N 3.26Å; P2168-S2171 VanDerWaalsContact O-N 3.09Å; P2168-S2171 PolarHBondContact O-OG 3.26Å; P2168-S2171 VanDerWaalsContact O-OG 3.12Å |
| 2172 | L | 50.3 | Low | 45 | Very low | 11 Ų | 11 | 96.5 Ų | 96.5 | 6% | 0.058 | 50% | 0.497 | C | S | . | . | trans | -150 | 81.8 | -148.9 | -69 | -158.9 | 0 | 0 | 0 | 109.9 | V1798 R1800 L2167 L2169 E2170 Y2193 | V1798-L2172 WeakPolarHBondContact O-CD2 3.25Å; R1800-L2172 HydrophobicContact CB-CD1 3.61Å; R1800-L2172 HydrophobicContact CG-CD1 3.71Å; L2167-L2172 HydrophobicContact CD2-CD1 3.94Å; L2167-L2172 HydrophobicContact CD2-CD2 3.76Å; L2167-L2172 HydrophobicContact CD2-CG 4.23Å; L2169-L2172 HydrophobicContact CB-CD1 4.35Å; L2169-L2172 HydrophobicContact CD2-CD1 4.04Å; L2169-L2172 WeakPolarHBondContact O-CD1 3.44Å; E2170-L2172 PolarHBondContact O-N 3.19Å; L2172-Y2193 WeakPolarHBondContact CB-OH 3.13Å; L2172-Y2193 HydrophobicContact CD1-CD1 4.36Å; L2172-Y2193 HydrophobicContact CD1-CE1 3.5Å | ||
| 2173 | K | 44.1 | Very low | 44.3 | Very low | 129 Ų | 129 | 98.4 Ų | 98.4 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | B | Isolated β-bridge | trans | -101.1 | 166.1 | -167.8 | -68.2 | 173.2 | -175.9 | 146.2 | 0 | 112.3 | D1797 S1799 | D1797-K2173 HydrophobicContact CB-CB 3.86Å; D1797-K2173 HydrophobicContact CB-CD 3.83Å; D1797-K2173 HydrophobicContact CB-CG 3.75Å; D1797-K2173 PolarHBondContact O-N 2.89Å; D1797-K2173 WeakPolarHBondContact OD2-CD 3.44Å; D1797-K2173 VanDerWaalsContact OD2-CE 3.27Å; D1797-K2173 WeakPolarHBondContact OD2-CE 3.03Å; D1797-K2173 IonicContact OD2-NZ 2.76Å; D1797-K2173 PolarHBondContact OD2-NZ 3.26Å; S1799-K2173 PolarHBondContact OG-O 2.72Å |
| 2174 | L | 46.4 | Very low | 43.2 | Very low | 71 Ų | 71 | 103.6 Ų | 103.6 | 37% | 0.372 | 54% | 0.538 | S | S | . | . | trans | -115.9 | 111.3 | 179.8 | -76.2 | 152.6 | 0 | 0 | 0 | 109 | N2176 L2191 N2238 W2240 | L2174-N2176 PolarHBondContact O-N 3.31Å; L2174-L2191 HydrophobicContact CD1-CD2 4.35Å; L2174-N2238 VanDerWaalsContact CD2-ND2 3.28Å; L2174-N2238 WeakPolarHBondContact CD2-ND2 3.47Å; L2174-W2240 HydrophobicContact CD2-CH2 4.39Å | ||
| 2175 | T | 40.2 | Very low | 42.5 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | trans | -84.3 | 88.8 | 170.3 | 50 | 0 | 0 | 0 | 0 | 109.9 | N2177 | T2175-N2177 PolarHBondContact O-N 2.92Š| ||
| 2176 | N | 38.7 | Very low | 41.8 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | trans | -70 | 91.7 | 169.9 | -80.6 | 1.8 | 0 | 0 | 0 | 109.6 | L2174 N2178 | L2174-N2176 PolarHBondContact O-N 3.31Å; N2176-N2178 PolarHBondContact O-N 3.48Å | ||
| 2177 | N | 34 | Very low | 40.3 | Very low | 143 Ų | 143 | 117.9 Ų | 117.9 | 77% | 0.765 | 61% | 0.611 | S | S | * | * | trans | -76.8 | 59.7 | 172.1 | -74.3 | 6.8 | 0 | 0 | 0 | 111.4 | T2175 | T2175-N2177 PolarHBondContact O-N 2.92Š| ||
| 2178 | N | 34.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 65% | 0.646 | S | S | * | * | trans | -131.8 | 114.6 | 165.1 | -82.8 | -31.4 | 0 | 0 | 0 | 107.3 | N2176 | N2176-N2178 PolarHBondContact O-N 3.48Š| ||
| 2179 | N | 31.2 | Very low | 39.1 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | -74.8 | 174.6 | 171.4 | -63.1 | -23.6 | 0 | 0 | 0 | 110.4 | ||||
| 2180 | D | 33.3 | Very low | 38.5 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 83% | 0.829 | 66% | 0.661 | S | S | * | * | trans | 72.9 | 60.5 | 160.5 | -50 | -23.1 | 0 | 0 | 0 | 118.3 | ||||
| 2181 | S | 33.6 | Very low | 37.8 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 83% | 0.825 | 63% | 0.628 | S | S | * | * | -169.3 | 121.8 | 129.2 | 60.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2182 | E | 33.3 | Very low | 37.4 | Very low | 185 Ų | 185 | 117.2 Ų | 117.2 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | trans | -80.9 | 174.9 | 165.2 | -63.6 | -176.1 | 125 | 0 | 0 | 110.9 | ||||
| 2183 | D | 32.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 62% | 0.616 | S | S | * | * | trans | 63.3 | 83.2 | 175.3 | -64.2 | -28.2 | 0 | 0 | 0 | 118.3 | ||||
| 2184 | E | 31.3 | Very low | 37 | Very low | 179 Ų | 179 | 111.1 Ų | 111.1 | 84% | 0.836 | 59% | 0.591 | S | S | * | * | -169.8 | 170 | 103.9 | -104.1 | -173 | -178.7 | 0 | 0 | 113.4 | N2186 | E2184-N2186 PolarHBondContact O-N 2.94Å; E2184-N2186 VanDerWaalsContact O-N 3.08Å | |||
| 2185 | K | 33.2 | Very low | 36.6 | Very low | 210 Ų | 210 | 108.7 Ų | 108.7 | 91% | 0.913 | 58% | 0.581 | S | S | * | * | trans | -81 | 85 | -165.4 | -63.3 | 174.4 | -174.8 | 169.3 | 0 | 113.3 | ||||
| 2186 | N | 32.9 | Very low | 36.8 | Very low | 157 Ų | 157 | 103.9 Ų | 103.9 | 84% | 0.84 | 55% | 0.552 | S | S | * | * | trans | -82.4 | 123 | 171.8 | -69.8 | -57.6 | 0 | 0 | 0 | 111.9 | E2184 | E2184-N2186 PolarHBondContact O-N 2.94Å; E2184-N2186 VanDerWaalsContact O-N 3.08Å | ||
| 2187 | E | 31.2 | Very low | 37 | Very low | 153 Ų | 153 | 97.9 Ų | 97.9 | 72% | 0.715 | 52% | 0.52 | S | S | * | . | trans | -61 | 154.4 | 169.6 | -68.7 | -177 | 148 | 0 | 0 | 110.7 | A2189 | E2187-A2189 PolarHBondContact O-N 2.92Š| ||
| 2188 | P | 37.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 93.1 Ų | 93.1 | 83% | 0.831 | 49% | 0.494 | S | S | * | . | trans | -64.5 | 97.7 | -175.5 | 26.6 | -35 | 0 | 0 | 0 | 110.2 | E2190 | P2188-E2190 PolarHBondContact O-N 3.13Š| ||
| 2189 | A | 39.4 | Very low | 37.5 | Very low | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | trans | -47.9 | 117.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E2187 L2191 | E2187-A2189 PolarHBondContact O-N 2.92Å; A2189-L2191 WeakPolarHBondContact O-CD1 2.99Å | ||
| 2190 | E | 46.6 | Very low | 38 | Very low | 72 Ų | 72 | 81.6 Ų | 81.6 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | trans | -60 | 150.6 | 175.9 | -89.7 | -162.4 | -178.3 | 0 | 0 | 110.8 | W1681 P2188 K2232 | W1681-E2190 VanDerWaalsContact CH2-CD 3.49Å; W1681-E2190 WeakPolarHBondContact CH2-OE1 3.25Å; W1681-E2190 WeakPolarHBondContact CH2-OE2 3.18Å; W1681-E2190 WeakPolarHBondContact CZ2-OE1 3.11Å; P2188-E2190 PolarHBondContact O-N 3.13Å; E2190-K2232 HydrophobicContact CB-CD 3.93Å; E2190-K2232 HydrophobicContact CB-CG 4.01Å; E2190-K2232 WeakPolarHBondContact O-CB 3.33Å; E2190-K2232 WeakPolarHBondContact O-CG 3.26Å; E2190-K2232 PolarHBondContact O-N 2.86Å; E2190-K2232 WeakPolarHBondContact OE2-CE 3.44Å; E2190-K2232 IonicContact OE2-NZ 2.74Å; E2190-K2232 PolarHBondContact OE2-NZ 3.42Å | ||
| 2191 | L | 37.4 | Very low | 38.2 | Very low | 18 Ų | 18 | 76.9 Ų | 76.9 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | trans | -157.5 | 153.7 | 162.5 | -14 | 70.4 | 0 | 0 | 0 | 105.6 | R1802 L2174 A2189 N2231 | R1802-L2191 HydrophobicContact CB-CB 3.26Å; R1802-L2191 HydrophobicContact CB-CD2 3.86Å; R1802-L2191 HydrophobicContact CB-CG 4.14Å; R1802-L2191 VanDerWaalsContact CD-C 3.41Å; R1802-L2191 VanDerWaalsContact CD-O 3.23Å; R1802-L2191 WeakPolarHBondContact CD-O 3.3Å; R1802-L2191 HydrophobicContact CG-CB 3.58Å; R1802-L2191 HydrophobicContact CG-CD1 4.27Å; R1802-L2191 HydrophobicContact CG-CD2 3.99Å; R1802-L2191 HydrophobicContact CG-CG 4.18Å; R1802-L2191 VanDerWaalsContact CZ-CD1 3.42Å; R1802-L2191 PolarHBondContact NH1-O 3.1Å; L2174-L2191 HydrophobicContact CD1-CD2 4.35Å; A2189-L2191 WeakPolarHBondContact O-CD1 2.99Å; L2191-N2231 HydrophobicContact CD2-CB 3.73Å; L2191-N2231 HydrophobicContact CG-CB 4.3Å | ||
| 2192 | S | 44 | Very low | 38.4 | Very low | 9 Ų | 9 | 74.1 Ų | 74.1 | 6% | 0.063 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -132 | 116.7 | -175.8 | 18.1 | 0 | 0 | 0 | 0 | 119.1 | N1801 R1802 I1803 | N1801-S2192 CarbonylContact C-O 3.4Å; R1802-S2192 CarbonylContact C-O 3.5Å; R1802-S2192 VanDerWaalsContact CA-O 3.27Å; R1802-S2192 WeakPolarHBondContact CA-O 3.48Å; R1802-S2192 PolarHBondContact N-O 2.84Å; I1803-S2192 VanDerWaalsContact CG1-O 3.3Å; I1803-S2192 WeakPolarHBondContact CG1-O 3.25Å; I1803-S2192 PolarHBondContact N-O 2.82Å; I1803-S2192 PolarHBondContact O-N 2.84Å |
| 2193 | Y | 39.9 | Very low | 38.1 | Very low | 6 Ų | 6 | 71 Ų | 71 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | trans | -63.4 | 142.6 | -157.8 | -70.5 | -78.7 | 0 | 0 | 0 | 120.6 | R1800 N1801 R1802 L2169 L2172 | R1800-Y2193 HydrophobicContact CB-CD1 3.47Å; R1800-Y2193 VanDerWaalsContact CB-CD1 3.47Å; R1800-Y2193 HydrophobicContact CB-CE1 3.52Å; R1800-Y2193 WeakPolarHBondContact O-CD1 2.99Å; R1800-Y2193 WeakPolarHBondContact O-CE1 3.22Å; N1801-Y2193 VanDerWaalsContact C-CA 3.48Å; N1801-Y2193 CarbonylContact O-C 3.6Å; N1801-Y2193 WeakPolarHBondContact O-CA 3.45Å; R1802-Y2193 HydrophobicContact CG-CD1 3.84Å; R1802-Y2193 HydrophobicContact CG-CD2 4.47Å; R1802-Y2193 HydrophobicContact CG-CE1 3.42Å; R1802-Y2193 VanDerWaalsContact CG-CE1 3.42Å; R1802-Y2193 HydrophobicContact CG-CE2 4.16Å; R1802-Y2193 HydrophobicContact CG-CG 4.32Å; R1802-Y2193 VanDerWaalsContact N-CA 3.34Å; R1802-Y2193 PolarHBondContact NE-OH 3.41Å; L2169-Y2193 HydrophobicContact CB-CD1 4.25Å; L2169-Y2193 HydrophobicContact CB-CD2 3.52Å; L2169-Y2193 HydrophobicContact CB-CE1 4.34Å; L2169-Y2193 HydrophobicContact CB-CE2 3.58Å; L2169-Y2193 HydrophobicContact CB-CG 3.89Å; L2169-Y2193 HydrophobicContact CD1-CD2 4.14Å; L2169-Y2193 HydrophobicContact CD1-CG 3.95Å; L2169-Y2193 HydrophobicContact CD2-CD1 3.94Å; L2169-Y2193 HydrophobicContact CD2-CE1 4.4Å; L2169-Y2193 HydrophobicContact CD2-CG 4.07Å; L2169-Y2193 HydrophobicContact CG-CD2 4.28Å; L2169-Y2193 HydrophobicContact CG-CG 4.18Å; L2169-Y2193 WeakPolarHBondContact O-CE2 3.07Å; L2169-Y2193 PolarHBondContact O-OH 2.85Å; L2172-Y2193 WeakPolarHBondContact CB-OH 3.13Å; L2172-Y2193 HydrophobicContact CD1-CD1 4.36Å; L2172-Y2193 HydrophobicContact CD1-CE1 3.5Å | ||
| 2194 | H | 44.4 | Very low | 38.2 | Very low | 6 Ų | 6 | 68.6 Ų | 68.6 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | trans | -138.7 | 133.8 | 172 | -70.2 | -9.1 | 0 | 0 | 0 | 111.9 | T1716 Y1778 N1801 I1803 I2227 | T1716-H2194 HydrophobicContact CG2-CB 3.53Å; Y1778-H2194 AromaticContact CE1-CD2 3.47Å; Y1778-H2194 VanDerWaalsContact CE1-CD2 3.47Å; Y1778-H2194 WeakPolarHBondContact CE1-CD2 3.45Å; Y1778-H2194 AromaticContact CE1-NE2 3.73Å; Y1778-H2194 AromaticContact CZ-CD2 3.84Å; Y1778-H2194 AromaticContact CZ-NE2 3.95Å; Y1778-H2194 PolarHBondContact OH-CD2 3.42Å; Y1778-H2194 PolarHBondContact OH-NE2 2.95Å; N1801-H2194 VanDerWaalsContact C-N 3.27Å; N1801-H2194 HydrophobicContact CB-CB 4.07Å; N1801-H2194 PolarHBondContact N-O 3.41Å; N1801-H2194 PolarHBondContact O-N 3.08Å; I1803-H2194 WeakPolarHBondContact CD1-CE1 3.36Å; I1803-H2194 WeakPolarHBondContact CD1-NE2 3.15Å; I1803-H2194 WeakPolarHBondContact CG1-NE2 3.3Å; H2194-I2227 WeakPolarHBondContact O-CG2 3.09Å | ||
| 2195 | A | 38.9 | Very low | 38.3 | Very low | 20 Ų | 20 | 63.7 Ų | 63.7 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | trans | -144.2 | 129.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2143 I2227 | L2143-A2195 HydrophobicContact CD1-CB 3.98Å; L2143-A2195 HydrophobicContact CD2-CB 3.62Å; L2143-A2195 HydrophobicContact CG-CB 4.44Å; A2195-I2227 HydrophobicContact CB-CD1 3.62Å; A2195-I2227 HydrophobicContact CB-CG1 4.08Å; A2195-I2227 HydrophobicContact CB-CG2 3.85Å | ||
| 2196 | D | 45 | Very low | 38.2 | Very low | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.011 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 139.1 | -148.9 | -92 | -34.5 | 0 | 0 | 0 | 114.1 | K1714 M1715 I2225 M2226 | K1714-D2196 VanDerWaalsContact C-OD1 3.24Å; K1714-D2196 WeakPolarHBondContact CA-OD1 3.49Å; K1714-D2196 HydrophobicContact CB-CB 3.38Å; K1714-D2196 WeakPolarHBondContact CB-OD1 3.44Å; K1714-D2196 HydrophobicContact CD-CB 3.97Å; K1714-D2196 VanDerWaalsContact CE-C 3.48Å; K1714-D2196 WeakPolarHBondContact CE-O 3.28Å; K1714-D2196 HydrophobicContact CG-CB 4.24Å; K1714-D2196 PolarHBondContact NZ-O 3.27Å; M1715-D2196 PolarHBondContact N-OD1 3.08Å; D2196-I2225 WeakPolarHBondContact O-CG2 3.22Å; D2196-M2226 PolarHBondContact O-N 3.14Å; D2196-M2226 VanDerWaalsContact O-O 3.06Å |
| 2197 | F | 42.3 | Very low | 38.1 | Very low | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.8 | -177.3 | -65.5 | -71.2 | 0 | 0 | 0 | 114.9 | I1712 K1714 Y2094 I2133 L2135 I2225 | I1712-F2197 HydrophobicContact CG2-CD2 4.32Å; K1714-F2197 WeakPolarHBondContact CE-O 3.36Å; K1714-F2197 VanDerWaalsContact CG-O 3.32Å; K1714-F2197 WeakPolarHBondContact CG-O 3.31Å; Y2094-F2197 HydrophobicContact CD2-CB 3.67Å; Y2094-F2197 AromaticContact CD2-CD1 3.84Å; Y2094-F2197 HydrophobicContact CD2-CD1 3.84Å; Y2094-F2197 AromaticContact CD2-CD2 3.62Å; Y2094-F2197 HydrophobicContact CD2-CD2 3.62Å; Y2094-F2197 HydrophobicContact CD2-CE1 4.34Å; Y2094-F2197 HydrophobicContact CD2-CE2 4.12Å; Y2094-F2197 AromaticContact CD2-CG 3.45Å; Y2094-F2197 HydrophobicContact CD2-CG 3.45Å; Y2094-F2197 VanDerWaalsContact CD2-CG 3.45Å; Y2094-F2197 HydrophobicContact CD2-CZ 4.46Å; Y2094-F2197 HydrophobicContact CE2-CB 3.98Å; Y2094-F2197 HydrophobicContact CE2-CD1 4.34Å; Y2094-F2197 HydrophobicContact CE2-CG 4.13Å; Y2094-F2197 HydrophobicContact CG-CD2 4.15Å; Y2094-F2197 HydrophobicContact CG-CE2 4.19Å; Y2094-F2197 HydrophobicContact CG-CG 4.29Å; Y2094-F2197 HydrophobicContact CG-CZ 4.42Å; I2133-F2197 HydrophobicContact CB-CZ 4.12Å; I2133-F2197 HydrophobicContact CG2-CE1 4.25Å; I2133-F2197 HydrophobicContact CG2-CZ 3.76Å; L2135-F2197 HydrophobicContact CB-CE2 4.48Å; L2135-F2197 HydrophobicContact CD1-CD2 3.8Å; L2135-F2197 HydrophobicContact CD1-CE2 3.34Å; L2135-F2197 HydrophobicContact CD1-CZ 3.78Å; L2135-F2197 HydrophobicContact CD2-CE2 4.4Å; L2135-F2197 HydrophobicContact CD2-CZ 4.08Å; L2135-F2197 HydrophobicContact CG-CD2 4.39Å; L2135-F2197 HydrophobicContact CG-CE2 3.45Å; L2135-F2197 VanDerWaalsContact CG-CE2 3.45Å; L2135-F2197 HydrophobicContact CG-CZ 3.6Å; F2197-I2225 HydrophobicContact CD1-CG1 4.06Å; F2197-I2225 HydrophobicContact CD1-CG2 4.33Å; F2197-I2225 HydrophobicContact CE1-CD1 4.09Å; F2197-I2225 HydrophobicContact CE1-CG1 4.08Å |
| 2198 | L | 35.9 | Very low | 38.3 | Very low | 42 Ų | 42 | 53.5 Ų | 53.5 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127 | 167.7 | -96.2 | 167.3 | 0 | 0 | 0 | 109.9 | Y2224 M2226 I2241 | L2198-Y2224 PolarHBondContact N-O 3.12Å; L2198-M2226 HydrophobicContact CD1-CB 3.6Å; L2198-M2226 HydrophobicContact CD1-CG 4.25Å; L2198-M2226 HydrophobicContact CD2-CE 3.83Å; L2198-M2226 HydrophobicContact CG-CB 3.65Å; L2198-M2226 HydrophobicContact CG-CE 4.11Å; L2198-M2226 HydrophobicContact CG-CG 4.41Å; L2198-I2241 HydrophobicContact CD1-CD1 4.15Å; L2198-I2241 HydrophobicContact CD1-CG1 4.4Å; L2198-I2241 HydrophobicContact CD1-CG2 3.92Å |
| 2199 | P | 43.3 | Very low | 38.1 | Very low | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 131.5 | -173.5 | 36.3 | -37.5 | 0 | 0 | 0 | 112.2 | E1707 T1710 I1712 | E1707-P2199 HydrophobicContact CB-CG 4.16Å; T1710-P2199 WeakPolarHBondContact OG1-CB 3.43Å; T1710-P2199 WeakPolarHBondContact OG1-CG 3.45Å; I1712-P2199 WeakPolarHBondContact O-CB 3.43Å |
| 2200 | T | 41.2 | Very low | 37.6 | Very low | 30 Ų | 30 | 57.3 Ų | 57.3 | 18% | 0.184 | 29% | 0.291 | C | S | . | . | trans | -104.4 | -6.3 | -159 | 52.2 | 0 | 0 | 0 | 0 | 116.3 | Y2094 Q2096 N2202 L2203 | Y2094-T2200 PolarHBondContact OH-OG1 3.49Å; Q2096-T2200 PolarHBondContact NE2-OG1 3.42Å; Q2096-T2200 VanDerWaalsContact NE2-OG1 3.08Å; T2200-N2202 PolarHBondContact O-N 3.4Å; T2200-L2203 PolarHBondContact O-N 3.24Å | ||
| 2201 | Q | 38.4 | Very low | 36.7 | Very low | 57 Ų | 57 | 62.6 Ų | 62.6 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | -167.3 | -140.2 | 171.2 | -10.7 | 0 | 0 | 113.7 | Y1709 T1710 T1711 L2203 K2204 D2205 | Y1709-Q2201 PolarHBondContact O-OE1 2.99Å; T1710-Q2201 HydrophobicContact CG2-CB 4.11Å; T1711-Q2201 VanDerWaalsContact CA-OE1 3.24Å; T1711-Q2201 HydrophobicContact CG2-CG 4.36Å; T1711-Q2201 VanDerWaalsContact CG2-OE1 3.25Å; T1711-Q2201 VanDerWaalsContact N-OE1 3.12Å; T1711-Q2201 WeakPolarHBondContact OG1-CB 3.41Å; T1711-Q2201 PolarHBondContact OG1-OE1 3.31Å; Q2201-L2203 PolarHBondContact O-N 2.84Å; Q2201-L2203 VanDerWaalsContact O-N 3.15Å; Q2201-K2204 PolarHBondContact O-N 3.07Å; Q2201-D2205 PolarHBondContact O-N 3.3Å |
| 2202 | N | 36.4 | Very low | 36.3 | Very low | 59 Ų | 59 | 71.4 Ų | 71.4 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.4 | -42.2 | 179.2 | -93.4 | -24.6 | 0 | 0 | 0 | 110.8 | E1707 T1710 T2200 I2206 | E1707-N2202 PolarHBondContact OE2-ND2 3.23Å; T1710-N2202 HydrophobicContact CG2-CB 3.52Å; T1710-N2202 VanDerWaalsContact CG2-N 3.35Å; T1710-N2202 WeakPolarHBondContact CG2-ND2 3.06Å; T2200-N2202 PolarHBondContact O-N 3.4Å; N2202-I2206 WeakPolarHBondContact O-CB 3.01Å; N2202-I2206 WeakPolarHBondContact O-CD1 3.48Å; N2202-I2206 WeakPolarHBondContact O-CG1 3.47Å; N2202-I2206 PolarHBondContact O-N 2.8Å |
| 2203 | L | 29 | Very low | 35.8 | Very low | 121 Ų | 121 | 75.4 Ų | 75.4 | 63% | 0.634 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 177.7 | -89.8 | 163.3 | 0 | 0 | 0 | 112.7 | T2200 Q2201 L2207 | T2200-L2203 PolarHBondContact O-N 3.24Å; Q2201-L2203 PolarHBondContact O-N 2.84Å; Q2201-L2203 VanDerWaalsContact O-N 3.15Å; L2203-L2207 HydrophobicContact CD2-CD1 4.34Å; L2203-L2207 WeakPolarHBondContact O-CB 3.02Å; L2203-L2207 WeakPolarHBondContact O-CD1 3.35Å; L2203-L2207 WeakPolarHBondContact O-CG 3.11Å; L2203-L2207 PolarHBondContact O-N 2.95Å |
| 2204 | K | 33.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 83.3 Ų | 83.3 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.7 | -39.7 | -178.5 | -99.4 | -177.4 | 176.5 | 175.2 | 0 | 112.9 | Q2201 L2207 K2208 | Q2201-K2204 PolarHBondContact O-N 3.07Å; K2204-L2207 PolarHBondContact O-N 3.35Å; K2204-K2208 WeakPolarHBondContact O-CG 2.85Å; K2204-K2208 PolarHBondContact O-N 3.15Å |
| 2205 | D | 33.5 | Very low | 35.1 | Very low | 75 Ų | 75 | 92.5 Ų | 92.5 | 40% | 0.401 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -81.2 | -30.1 | -178.6 | -66 | -38.2 | 0 | 0 | 0 | 112.4 | Q2201 | Q2201-D2205 PolarHBondContact O-N 3.3Å |
| 2206 | I | 31.1 | Very low | 34.9 | Very low | 70 Ų | 70 | 95 Ų | 95 | 36% | 0.359 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 166.2 | -67.3 | 169.9 | 0 | 0 | 0 | 110.9 | N2202 L2209 I2210 | N2202-I2206 WeakPolarHBondContact O-CB 3.01Å; N2202-I2206 WeakPolarHBondContact O-CD1 3.48Å; N2202-I2206 WeakPolarHBondContact O-CG1 3.47Å; N2202-I2206 PolarHBondContact O-N 2.8Å; I2206-L2209 WeakPolarHBondContact O-CB 3.1Å; I2206-L2209 PolarHBondContact O-N 3.21Å; I2206-I2210 HydrophobicContact CG2-CD1 4.39Å |
| 2207 | L | 31.8 | Very low | 34.4 | Very low | 80 Ų | 80 | 100.2 Ų | 100.2 | 42% | 0.419 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.6 | -28.4 | 179 | -72.5 | 168.5 | 0 | 0 | 0 | 113.5 | L2203 K2204 L2209 I2210 | L2203-L2207 HydrophobicContact CD2-CD1 4.34Å; L2203-L2207 WeakPolarHBondContact O-CB 3.02Å; L2203-L2207 WeakPolarHBondContact O-CD1 3.35Å; L2203-L2207 WeakPolarHBondContact O-CG 3.11Å; L2203-L2207 PolarHBondContact O-N 2.95Å; K2204-L2207 PolarHBondContact O-N 3.35Å; L2207-L2209 PolarHBondContact O-N 3.16Å; L2207-I2210 HydrophobicContact CD2-CD1 4.4Å; L2207-I2210 CarbonylContact O-C 3.37Å; L2207-I2210 WeakPolarHBondContact O-CA 3.4Å; L2207-I2210 PolarHBondContact O-N 3.37Å |
| 2208 | K | 34 | Very low | 34.2 | Very low | 156 Ų | 156 | 107.2 Ų | 107.2 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -25.7 | 170.3 | -87.7 | 179.4 | 176.8 | 172.2 | 0 | 113.6 | K2204 I2210 | K2204-K2208 WeakPolarHBondContact O-CG 2.85Å; K2204-K2208 PolarHBondContact O-N 3.15Å; K2208-I2210 VanDerWaalsContact C-N 3.32Å |
| 2209 | L | 35.5 | Very low | 34.2 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 81% | 0.806 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -18.7 | 170.7 | -73.7 | 162.4 | 0 | 0 | 0 | 112.7 | I2206 L2207 | I2206-L2209 WeakPolarHBondContact O-CB 3.1Å; I2206-L2209 PolarHBondContact O-N 3.21Å; L2207-L2209 PolarHBondContact O-N 3.16Å |
| 2210 | I | 28.1 | Very low | 33.7 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -103.8 | 72.3 | -179 | -54 | 174.3 | 0 | 0 | 0 | 109.1 | I2206 L2207 K2208 Y2212 | I2206-I2210 HydrophobicContact CG2-CD1 4.39Å; L2207-I2210 HydrophobicContact CD2-CD1 4.4Å; L2207-I2210 CarbonylContact O-C 3.37Å; L2207-I2210 WeakPolarHBondContact O-CA 3.4Å; L2207-I2210 PolarHBondContact O-N 3.37Å; K2208-I2210 VanDerWaalsContact C-N 3.32Å; I2210-Y2212 PolarHBondContact O-N 3.45Å |
| 2211 | K | 27.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 120 Ų | 120 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | trans | -68.3 | 77.9 | 177.9 | -68.8 | -174.3 | 174.1 | -174 | 0 | 113.3 | ||||
| 2212 | Y | 29.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 120.6 Ų | 120.6 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | trans | -148.7 | 137.6 | 163.4 | -90.7 | -72.1 | 0 | 0 | 0 | 113.2 | I2210 | I2210-Y2212 PolarHBondContact O-N 3.45Š| ||
| 2213 | D | 33.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 118.1 Ų | 118.1 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | 60.2 | 94.2 | 168 | -56.2 | -8.1 | 0 | 0 | 0 | 118.6 | E2215 S2216 Y2283 | D2213-E2215 PolarHBondContact O-N 3.16Å; D2213-S2216 PolarHBondContact O-OG 3.38Å; D2213-Y2283 PolarHBondContact OD2-OH 3.46Å | ||
| 2214 | E | 34.9 | Very low | 35.7 | Very low | 171 Ų | 171 | 117.3 Ų | 117.3 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -63.8 | -32.2 | -175.7 | -59.6 | -178.9 | 140.9 | 0 | 0 | 114.4 | S2216 H2217 | E2214-S2216 PolarHBondContact O-N 2.9Å; E2214-H2217 PolarHBondContact O-N 2.86Å; E2214-H2217 VanDerWaalsContact O-N 3.11Å |
| 2215 | E | 35.3 | Very low | 36.9 | Very low | 200 Ų | 200 | 112.2 Ų | 112.2 | 94% | 0.935 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -65 | -4.2 | -170.9 | -62.1 | -168.9 | 153.9 | 0 | 0 | 115.3 | D2213 | D2213-E2215 PolarHBondContact O-N 3.16Š|
| 2216 | S | 35 | Very low | 37.5 | Very low | 73 Ų | 73 | 110 Ų | 110 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -101 | -10 | 177.2 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | D2213 E2214 | D2213-S2216 PolarHBondContact O-OG 3.38Å; E2214-S2216 PolarHBondContact O-N 2.9Å |
| 2217 | H | 32.9 | Very low | 38.5 | Very low | 110 Ų | 110 | 106.7 Ų | 106.7 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -72.9 | -30.9 | -171.5 | -70.6 | -30.3 | 0 | 0 | 0 | 114.6 | E2214 K2219 L2220 | E2214-H2217 PolarHBondContact O-N 2.86Å; E2214-H2217 VanDerWaalsContact O-N 3.11Å; H2217-K2219 PolarHBondContact O-N 3.03Å; H2217-L2220 PolarHBondContact O-N 3.39Å |
| 2218 | D | 38.4 | Very low | 39.4 | Very low | 148 Ų | 148 | 103.8 Ų | 103.8 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -64 | -3.5 | -172.7 | -78.9 | -10.9 | 0 | 0 | 0 | 116 | ||
| 2219 | K | 37.4 | Very low | 40.1 | Very low | 190 Ų | 190 | 96.4 Ų | 96.4 | 83% | 0.826 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -124.4 | 1.8 | -176.5 | -69.6 | -178 | 179.7 | 171.3 | 0 | 115.9 | H2217 | H2217-K2219 PolarHBondContact O-N 3.03Š|
| 2220 | L | 31.4 | Very low | 40.7 | Very low | 137 Ų | 137 | 89.1 Ų | 89.1 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -116.7 | 22.7 | -179.7 | -78.5 | 97.2 | 0 | 0 | 0 | 114.1 | H2217 | H2217-L2220 PolarHBondContact O-N 3.39Š|
| 2221 | G | 42.8 | Very low | 41.8 | Very low | 33 Ų | 33 | 85.6 Ų | 85.6 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | trans | -81.1 | -18.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2222 | N | 46.1 | Very low | 43 | Very low | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -94.4 | 137.2 | -154.1 | -62.2 | -5.8 | 0 | 0 | 0 | 113.3 | D2245 | N2222-D2245 PolarHBondContact ND2-OD1 3Š| ||
| 2223 | P | 49 | Very low | 44.2 | Very low | 7 Ų | 7 | 73.2 Ų | 73.2 | 5% | 0.045 | 37% | 0.373 | C | S | . | . | trans | -64.3 | 147.2 | 178.4 | -18.5 | 29.2 | 0 | 0 | 0 | 112.9 | Y2094 I2133 I2244 | Y2094-P2223 HydrophobicContact CE1-CB 4.45Å; Y2094-P2223 HydrophobicContact CE1-CG 3.95Å; Y2094-P2223 HydrophobicContact CE2-CB 4.24Å; I2133-P2223 HydrophobicContact CD1-CG 4.36Å; P2223-I2244 HydrophobicContact CB-CD1 3.83Å; P2223-I2244 HydrophobicContact CG-CD1 4.1Å; P2223-I2244 WeakPolarHBondContact O-CG1 3.43Å; P2223-I2244 PolarHBondContact O-N 3.47Å | ||
| 2224 | Y | 49.2 | Very low | 45.1 | Very low | 104 Ų | 104 | 72.4 Ų | 72.4 | 41% | 0.408 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.1 | 174.6 | -68.6 | -90.9 | 0 | 0 | 0 | 110.4 | L2198 I2241 Y2242 | L2198-Y2224 PolarHBondContact N-O 3.12Å; Y2224-I2241 HydrophobicContact CD1-CG2 3.76Å; Y2224-I2241 HydrophobicContact CG-CG2 4.15Å; Y2224-Y2242 CarbonylContact C-O 3.54Å; Y2224-Y2242 VanDerWaalsContact CA-O 3.26Å; Y2224-Y2242 WeakPolarHBondContact CA-O 3.31Å |
| 2225 | I | 57.9 | Low | 45.7 | Very low | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113.2 | 172.7 | -32.9 | -176.6 | 0 | 0 | 0 | 107.3 | V2145 D2196 F2197 I2227 Y2242 I2244 L2247 | V2145-I2225 HydrophobicContact CG1-CD1 4.41Å; V2145-I2225 HydrophobicContact CG2-CD1 4.47Å; D2196-I2225 WeakPolarHBondContact O-CG2 3.22Å; F2197-I2225 HydrophobicContact CD1-CG1 4.06Å; F2197-I2225 HydrophobicContact CD1-CG2 4.33Å; F2197-I2225 HydrophobicContact CE1-CD1 4.09Å; F2197-I2225 HydrophobicContact CE1-CG1 4.08Å; I2225-I2227 HydrophobicContact CB-CD1 4.07Å; I2225-I2227 HydrophobicContact CB-CG1 4.4Å; I2225-I2227 HydrophobicContact CG2-CD1 3.43Å; I2225-I2227 VanDerWaalsContact CG2-CD1 3.43Å; I2225-I2227 HydrophobicContact CG2-CG1 3.83Å; I2225-Y2242 PolarHBondContact N-O 2.81Å; I2225-Y2242 PolarHBondContact O-N 3.05Å; I2225-I2244 HydrophobicContact CD1-CG1 3.99Å; I2225-I2244 HydrophobicContact CG1-CD1 4.48Å; I2225-I2244 HydrophobicContact CG1-CG1 3.98Å; I2225-L2247 HydrophobicContact CD1-CD1 4.32Å |
| 2226 | M | 46 | Very low | 46 | Very low | 29 Ų | 29 | 61 Ų | 61 | 14% | 0.143 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.5 | -175.6 | 170.6 | -102.6 | -85.9 | 0 | 0 | 110.3 | K1714 D2196 L2198 Y2228 L2239 I2241 | K1714-M2226 PolarHBondContact NZ-O 2.86Å; K1714-M2226 PolarHBondContact NZ-SD 2.81Å; D2196-M2226 PolarHBondContact O-N 3.14Å; D2196-M2226 VanDerWaalsContact O-O 3.06Å; L2198-M2226 HydrophobicContact CD1-CB 3.6Å; L2198-M2226 HydrophobicContact CD1-CG 4.25Å; L2198-M2226 HydrophobicContact CD2-CE 3.83Å; L2198-M2226 HydrophobicContact CG-CB 3.65Å; L2198-M2226 HydrophobicContact CG-CE 4.11Å; L2198-M2226 HydrophobicContact CG-CG 4.41Å; M2226-Y2228 HydrophobicContact CG-CD1 4.31Å; M2226-Y2228 HydrophobicContact SD-CD1 3.42Å; M2226-Y2228 WeakPolarHBondContact SD-CD1 3.47Å; M2226-Y2228 HydrophobicContact SD-CE1 3.48Å; M2226-Y2228 WeakPolarHBondContact SD-CE1 3.47Å; M2226-Y2228 HydrophobicContact SD-CG 4.31Å; M2226-L2239 HydrophobicContact CE-CD1 4.47Å; M2226-L2239 HydrophobicContact CG-CD1 4.18Å; M2226-L2239 HydrophobicContact CG-CD2 4.09Å; M2226-L2239 HydrophobicContact CG-CG 4.12Å; M2226-L2239 HydrophobicContact SD-CD1 3.99Å; M2226-I2241 HydrophobicContact CB-CG1 4.26Å; M2226-I2241 HydrophobicContact CG-CG1 4.04Å |
| 2227 | I | 53.5 | Low | 46.7 | Very low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 101.8 | -160.3 | -49.1 | -172.3 | 0 | 0 | 0 | 106.2 | R1800 L2143 H2194 A2195 I2225 W2240 | R1800-I2227 HydrophobicContact CB-CB 4.16Å; R1800-I2227 HydrophobicContact CB-CG2 3.2Å; R1800-I2227 HydrophobicContact CG-CB 3.83Å; R1800-I2227 HydrophobicContact CG-CG2 3.34Å; R1800-I2227 VanDerWaalsContact NH1-CD1 3.3Å; L2143-I2227 HydrophobicContact CD2-CD1 4.22Å; H2194-I2227 WeakPolarHBondContact O-CG2 3.09Å; A2195-I2227 HydrophobicContact CB-CD1 3.62Å; A2195-I2227 HydrophobicContact CB-CG1 4.08Å; A2195-I2227 HydrophobicContact CB-CG2 3.85Å; I2225-I2227 HydrophobicContact CB-CD1 4.07Å; I2225-I2227 HydrophobicContact CB-CG1 4.4Å; I2225-I2227 HydrophobicContact CG2-CD1 3.43Å; I2225-I2227 VanDerWaalsContact CG2-CD1 3.43Å; I2225-I2227 HydrophobicContact CG2-CG1 3.83Å; I2227-W2240 CarbonylContact C-O 3.5Å; I2227-W2240 PolarHBondContact N-O 3.37Å; I2227-W2240 WeakPolarHBondContact O-CB 3.43Å; I2227-W2240 PolarHBondContact O-N 3.25Å; I2227-W2240 VanDerWaalsContact O-O 3.07Å |
| 2228 | Y | 50.5 | Low | 47.2 | Very low | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -149.6 | -159 | 18.1 | -40.2 | 0 | 0 | 0 | 112.9 | R1800 N1801 M2226 T2237 N2238 L2239 W2240 | R1800-Y2228 CarbonylContact C-O 3.56Å; R1800-Y2228 WeakPolarHBondContact CA-O 3.44Å; R1800-Y2228 PolarHBondContact N-O 2.65Å; N1801-Y2228 WeakPolarHBondContact CA-O 3.18Å; N1801-Y2228 HydrophobicContact CB-CD1 3.91Å; N1801-Y2228 HydrophobicContact CB-CD2 4.03Å; N1801-Y2228 HydrophobicContact CB-CE1 4.34Å; N1801-Y2228 HydrophobicContact CB-CG 3.6Å; N1801-Y2228 VanDerWaalsContact CB-N 3.35Å; N1801-Y2228 PolarHBondContact N-O 3.14Å; N1801-Y2228 WeakPolarHBondContact ND2-CD2 3.42Å; N1801-Y2228 WeakPolarHBondContact ND2-CE2 3.4Å; M2226-Y2228 HydrophobicContact CG-CD1 4.31Å; M2226-Y2228 HydrophobicContact SD-CD1 3.42Å; M2226-Y2228 WeakPolarHBondContact SD-CD1 3.47Å; M2226-Y2228 HydrophobicContact SD-CE1 3.48Å; M2226-Y2228 WeakPolarHBondContact SD-CE1 3.47Å; M2226-Y2228 HydrophobicContact SD-CG 4.31Å; Y2228-T2237 HydrophobicContact CD2-CG2 4.44Å; Y2228-N2238 CarbonylContact C-O 3.34Å; Y2228-N2238 VanDerWaalsContact CA-O 3.26Å; Y2228-N2238 WeakPolarHBondContact CA-O 3.29Å; Y2228-N2238 WeakPolarHBondContact CB-O 3.18Å; Y2228-L2239 HydrophobicContact CG-CD1 4.21Å; Y2228-W2240 WeakPolarHBondContact O-CZ3 3.24Å |
| 2229 | A | 49.2 | Very low | 47.7 | Very low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 134.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1801 R1802 T2237 N2238 W2240 | N1801-A2229 VanDerWaalsContact OD1-C 3.29Å; N1801-A2229 WeakPolarHBondContact OD1-CA 3.21Å; N1801-A2229 PolarHBondContact OD1-N 3.43Å; R1802-A2229 HydrophobicContact CB-CB 3.56Å; R1802-A2229 HydrophobicContact CG-CB 4.11Å; A2229-T2237 CarbonylContact O-C 3.49Å; A2229-T2237 WeakPolarHBondContact O-CA 3.34Å; A2229-N2238 HydrophobicContact CB-CB 4.3Å; A2229-N2238 PolarHBondContact N-O 3.08Å; A2229-N2238 PolarHBondContact O-N 2.78Å; A2229-W2240 HydrophobicContact CB-CE3 4.29Å; A2229-W2240 HydrophobicContact CB-CH2 3.68Å; A2229-W2240 HydrophobicContact CB-CZ3 3.2Å |
| 2230 | T | 48 | Very low | 48.5 | Very low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 82.1 | -167.9 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | S1779 N1801 R1802 I1803 K1804 K2232 T2237 | S1779-T2230 VanDerWaalsContact O-CG2 3.28Å; S1779-T2230 WeakPolarHBondContact O-CG2 3.44Å; S1779-T2230 WeakPolarHBondContact OG-CA 3.3Å; S1779-T2230 WeakPolarHBondContact OG-CB 3.47Å; N1801-T2230 WeakPolarHBondContact OD1-CG2 3.26Å; N1801-T2230 PolarHBondContact OD1-N 2.98Å; N1801-T2230 VanDerWaalsContact OD1-N 3.08Å; N1801-T2230 PolarHBondContact OD1-OG1 2.7Å; R1802-T2230 VanDerWaalsContact C-OG1 3.32Å; R1802-T2230 CarbonylContact O-C 3.58Å; R1802-T2230 WeakPolarHBondContact O-CA 3.16Å; R1802-T2230 WeakPolarHBondContact O-CB 3.18Å; R1802-T2230 PolarHBondContact O-N 2.7Å; R1802-T2230 PolarHBondContact O-OG1 3.34Å; I1803-T2230 CarbonylContact C-O 3.56Å; I1803-T2230 VanDerWaalsContact C-OG1 3.27Å; I1803-T2230 WeakPolarHBondContact CA-OG1 3.28Å; I1803-T2230 PolarHBondContact N-OG1 2.7Å; K1804-T2230 WeakPolarHBondContact CA-O 3.13Å; K1804-T2230 PolarHBondContact N-O 2.87Å; K1804-T2230 VanDerWaalsContact N-O 3.08Å; K1804-T2230 PolarHBondContact N-OG1 3.34Å; T2230-K2232 PolarHBondContact O-N 3.46Å; T2230-T2237 HydrophobicContact CG2-CG2 3.25Å |
| 2231 | N | 50.9 | Low | 49.4 | Very low | 24 Ų | 24 | 33.2 Ų | 33.2 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 122.4 | -177.3 | -177.6 | -17.2 | 0 | 0 | 0 | 112.6 | S1779 K1804 L2191 T2233 T2234 I2236 | S1779-N2231 PolarHBondContact OG-N 3.41Å; S1779-N2231 VanDerWaalsContact OG-N 3.14Å; S1779-N2231 PolarHBondContact OG-O 3.25Å; K1804-N2231 WeakPolarHBondContact CG-O 3.44Å; L2191-N2231 HydrophobicContact CD2-CB 3.73Å; L2191-N2231 HydrophobicContact CG-CB 4.3Å; N2231-T2233 PolarHBondContact ND2-OG1 3.32Å; N2231-T2233 PolarHBondContact O-N 3.24Å; N2231-T2233 VanDerWaalsContact O-N 3.11Å; N2231-T2233 PolarHBondContact OD1-N 3.05Å; N2231-T2233 PolarHBondContact OD1-OG1 3.07Å; N2231-T2234 PolarHBondContact ND2-OG1 2.91Å; N2231-I2236 PolarHBondContact N-O 3.17Å |
| 2232 | K | 52.3 | Low | 50 | Low | 36 Ų | 36 | 32.8 Ų | 32.8 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -35.7 | -178.8 | -68.8 | -138.2 | 167.6 | 158 | 0 | 113.3 | K1804 E2190 T2230 | K1804-K2232 WeakPolarHBondContact CE-O 3.47Å; K1804-K2232 VanDerWaalsContact CG-CA 3.48Å; K1804-K2232 WeakPolarHBondContact CG-O 3.22Å; K1804-K2232 PolarHBondContact NZ-O 2.96Å; K1804-K2232 WeakPolarHBondContact O-CB 3.47Å; K1804-K2232 WeakPolarHBondContact O-CD 3.37Å; K1804-K2232 WeakPolarHBondContact O-CE 3.46Å; K1804-K2232 WeakPolarHBondContact O-CG 3.39Å; E2190-K2232 HydrophobicContact CB-CD 3.93Å; E2190-K2232 HydrophobicContact CB-CG 4.01Å; E2190-K2232 WeakPolarHBondContact O-CB 3.33Å; E2190-K2232 WeakPolarHBondContact O-CG 3.26Å; E2190-K2232 PolarHBondContact O-N 2.86Å; E2190-K2232 WeakPolarHBondContact OE2-CE 3.44Å; E2190-K2232 IonicContact OE2-NZ 2.74Å; E2190-K2232 PolarHBondContact OE2-NZ 3.42Å; T2230-K2232 PolarHBondContact O-N 3.46Å |
| 2233 | T | 53.5 | Low | 50.5 | Low | 90 Ų | 90 | 30 Ų | 30 | 55% | 0.552 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -67.9 | -176.3 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | N2231 E2235 | N2231-T2233 PolarHBondContact ND2-OG1 3.32Å; N2231-T2233 PolarHBondContact O-N 3.24Å; N2231-T2233 VanDerWaalsContact O-N 3.11Å; N2231-T2233 PolarHBondContact OD1-N 3.05Å; N2231-T2233 PolarHBondContact OD1-OG1 3.07Å; T2233-E2235 VanDerWaalsContact C-N 3.32Å; T2233-E2235 PolarHBondContact O-N 3.36Å; T2233-E2235 VanDerWaalsContact O-N 3.15Å |
| 2234 | T | 53.5 | Low | 50.8 | Low | 76 Ų | 76 | 30.4 Ų | 30.4 | 47% | 0.466 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.2 | -158 | 46.1 | 0 | 0 | 0 | 0 | 117 | N2231 I2236 | N2231-T2234 PolarHBondContact ND2-OG1 2.91Å; T2234-I2236 WeakPolarHBondContact O-CG1 3.42Å; T2234-I2236 WeakPolarHBondContact OG1-CB 3.31Å |
| 2235 | E | 48 | Very low | 50.9 | Low | 90 Ų | 90 | 28.2 Ų | 28.2 | 42% | 0.421 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 47.4 | -170.3 | -75.5 | 177.2 | -156 | 0 | 0 | 112.9 | S1779 N1780 K1804 T2233 K2265 | S1779-E2235 VanDerWaalsContact CB-C 3.47Å; N1780-E2235 CarbonylContact C-O 2.77Å; N1780-E2235 WeakPolarHBondContact CA-O 3.49Å; N1780-E2235 PolarHBondContact N-O 2.85Å; K1804-E2235 HydrophobicContact CD-CG 4.32Å; T2233-E2235 VanDerWaalsContact C-N 3.32Å; T2233-E2235 PolarHBondContact O-N 3.36Å; T2233-E2235 VanDerWaalsContact O-N 3.15Å; E2235-K2265 IonicContact OE2-NZ 3.76Å; E2235-K2265 PolarHBondContact OE2-NZ 3.08Å |
| 2236 | I | 41 | Very low | 50.7 | Low | 42 Ų | 42 | 30.1 Ų | 30.1 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 106 | -168.3 | -81.8 | -177.9 | 0 | 0 | 0 | 115.6 | S1779 Y1781 N2231 T2234 | S1779-I2236 PolarHBondContact OG-N 2.94Å; S1779-I2236 PolarHBondContact OG-O 3.33Å; Y1781-I2236 HydrophobicContact CD1-CB 4.41Å; Y1781-I2236 HydrophobicContact CD1-CD1 3.7Å; Y1781-I2236 HydrophobicContact CD1-CG1 3.79Å; Y1781-I2236 HydrophobicContact CD1-CG2 4.06Å; Y1781-I2236 HydrophobicContact CD2-CB 4.31Å; Y1781-I2236 HydrophobicContact CD2-CG2 3.28Å; Y1781-I2236 HydrophobicContact CE1-CD1 3.98Å; Y1781-I2236 HydrophobicContact CE2-CG2 3.86Å; Y1781-I2236 HydrophobicContact CG-CB 3.92Å; Y1781-I2236 HydrophobicContact CG-CD1 4.11Å; Y1781-I2236 HydrophobicContact CG-CG1 3.8Å; Y1781-I2236 HydrophobicContact CG-CG2 3.38Å; N2231-I2236 PolarHBondContact N-O 3.17Å; T2234-I2236 WeakPolarHBondContact O-CG1 3.42Å; T2234-I2236 WeakPolarHBondContact OG1-CB 3.31Å |
| 2237 | T | 49 | Very low | 51 | Low | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 120.3 | 165.6 | 14.6 | 0 | 0 | 0 | 0 | 109.5 | S1779 N1780 Y1781 Y2228 A2229 T2230 G2264 | S1779-T2237 WeakPolarHBondContact O-CA 3.3Å; S1779-T2237 WeakPolarHBondContact O-CB 3.49Å; S1779-T2237 WeakPolarHBondContact O-CG2 3.17Å; S1779-T2237 PolarHBondContact O-N 3.11Å; S1779-T2237 PolarHBondContact O-OG1 3.29Å; N1780-T2237 VanDerWaalsContact CA-OG1 3.26Å; N1780-T2237 WeakPolarHBondContact CA-OG1 3.3Å; N1780-T2237 VanDerWaalsContact N-N 3.1Å; N1780-T2237 PolarHBondContact OD1-OG1 2.83Å; N1780-T2237 VanDerWaalsContact OD1-OG1 3.1Å; Y1781-T2237 WeakPolarHBondContact CB-O 3.48Å; Y1781-T2237 VanDerWaalsContact N-N 3.17Å; Y2228-T2237 HydrophobicContact CD2-CG2 4.44Å; A2229-T2237 CarbonylContact O-C 3.49Å; A2229-T2237 WeakPolarHBondContact O-CA 3.34Å; T2230-T2237 HydrophobicContact CG2-CG2 3.25Å; T2237-G2264 PolarHBondContact OG1-O 2.91Å |
| 2238 | N | 44.6 | Very low | 50.8 | Low | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 158.8 | 143.2 | -68.5 | -69.6 | 0 | 0 | 0 | 109.6 | L2174 Y2228 A2229 W2240 Q2261 I2262 | L2174-N2238 VanDerWaalsContact CD2-ND2 3.28Å; L2174-N2238 WeakPolarHBondContact CD2-ND2 3.47Å; Y2228-N2238 CarbonylContact C-O 3.34Å; Y2228-N2238 VanDerWaalsContact CA-O 3.26Å; Y2228-N2238 WeakPolarHBondContact CA-O 3.29Å; Y2228-N2238 WeakPolarHBondContact CB-O 3.18Å; A2229-N2238 HydrophobicContact CB-CB 4.3Å; A2229-N2238 PolarHBondContact N-O 3.08Å; A2229-N2238 PolarHBondContact O-N 2.78Å; N2238-W2240 HydrophobicContact CB-CD2 4.04Å; N2238-W2240 HydrophobicContact CB-CE3 3.73Å; N2238-W2240 HydrophobicContact CB-CH2 3.2Å; N2238-W2240 HydrophobicContact CB-CZ2 3.47Å; N2238-W2240 VanDerWaalsContact CB-CZ2 3.47Å; N2238-W2240 HydrophobicContact CB-CZ3 3.37Å; N2238-W2240 WeakPolarHBondContact ND2-CH2 3.36Å; N2238-Q2261 HydrophobicContact CB-CG 4.48Å; N2238-Q2261 PolarHBondContact OD1-NE2 2.9Å; N2238-I2262 CarbonylContact C-O 3.58Å |
| 2239 | L | 48.5 | Very low | 50.6 | Low | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 117.1 | 166.2 | -172.9 | 138.1 | 0 | 0 | 0 | 109.8 | M2226 Y2228 I2241 Q2261 I2262 | M2226-L2239 HydrophobicContact CE-CD1 4.47Å; M2226-L2239 HydrophobicContact CG-CD1 4.18Å; M2226-L2239 HydrophobicContact CG-CD2 4.09Å; M2226-L2239 HydrophobicContact CG-CG 4.12Å; M2226-L2239 HydrophobicContact SD-CD1 3.99Å; Y2228-L2239 HydrophobicContact CG-CD1 4.21Å; L2239-I2241 HydrophobicContact CD2-CD1 3.76Å; L2239-I2241 HydrophobicContact CD2-CG1 3.57Å; L2239-Q2261 WeakPolarHBondContact O-CA 3.36Å; L2239-I2262 HydrophobicContact CB-CB 4.44Å; L2239-I2262 PolarHBondContact N-O 2.77Å; L2239-I2262 PolarHBondContact O-N 3Å |
| 2240 | W | 53.7 | Low | 50.3 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.9 | 177.5 | -63.6 | -84.2 | 0 | 0 | 0 | 110.9 | V1798 S1799 L2174 I2227 Y2228 A2229 N2238 Y2242 C2259 Q2261 | V1798-W2240 HydrophobicContact CG1-CB 4.37Å; V1798-W2240 HydrophobicContact CG1-CD2 4.36Å; V1798-W2240 HydrophobicContact CG1-CG 3.75Å; S1799-W2240 VanDerWaalsContact CA-CZ3 3.48Å; S1799-W2240 VanDerWaalsContact CB-CZ3 3.43Å; S1799-W2240 VanDerWaalsContact O-CZ3 3.32Å; S1799-W2240 WeakPolarHBondContact O-CZ3 3.4Å; S1799-W2240 WeakPolarHBondContact OG-CH2 3.27Å; S1799-W2240 WeakPolarHBondContact OG-CZ2 3.37Å; L2174-W2240 HydrophobicContact CD2-CH2 4.39Å; I2227-W2240 CarbonylContact C-O 3.5Å; I2227-W2240 PolarHBondContact N-O 3.37Å; I2227-W2240 WeakPolarHBondContact O-CB 3.43Å; I2227-W2240 PolarHBondContact O-N 3.25Å; I2227-W2240 VanDerWaalsContact O-O 3.07Å; Y2228-W2240 WeakPolarHBondContact O-CZ3 3.24Å; A2229-W2240 HydrophobicContact CB-CE3 4.29Å; A2229-W2240 HydrophobicContact CB-CH2 3.68Å; A2229-W2240 HydrophobicContact CB-CZ3 3.2Å; N2238-W2240 HydrophobicContact CB-CD2 4.04Å; N2238-W2240 HydrophobicContact CB-CE3 3.73Å; N2238-W2240 HydrophobicContact CB-CH2 3.2Å; N2238-W2240 HydrophobicContact CB-CZ2 3.47Å; N2238-W2240 VanDerWaalsContact CB-CZ2 3.47Å; N2238-W2240 HydrophobicContact CB-CZ3 3.37Å; N2238-W2240 WeakPolarHBondContact ND2-CH2 3.36Å; W2240-Y2242 HydrophobicContact CB-CD2 4.49Å; W2240-Y2242 HydrophobicContact CB-CE2 4.05Å; W2240-C2259 VanDerWaalsContact CB-SG 3.59Å; W2240-Q2261 HydrophobicContact CZ2-CG 4.18Å; W2240-Q2261 VanDerWaalsContact NE1-CB 3.33Å |
| 2241 | I | 49.9 | Very low | 50.1 | Low | 42 Ų | 42 | 48.5 Ų | 48.5 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.9 | 178 | -54 | 178.2 | 0 | 0 | 0 | 107.6 | L2198 Y2224 M2226 L2239 C2259 | L2198-I2241 HydrophobicContact CD1-CD1 4.15Å; L2198-I2241 HydrophobicContact CD1-CG1 4.4Å; L2198-I2241 HydrophobicContact CD1-CG2 3.92Å; Y2224-I2241 HydrophobicContact CD1-CG2 3.76Å; Y2224-I2241 HydrophobicContact CG-CG2 4.15Å; M2226-I2241 HydrophobicContact CB-CG1 4.26Å; M2226-I2241 HydrophobicContact CG-CG1 4.04Å; L2239-I2241 HydrophobicContact CD2-CD1 3.76Å; L2239-I2241 HydrophobicContact CD2-CG1 3.57Å; I2241-C2259 PolarHBondContact O-SG 3.05Å |
| 2242 | Y | 55.8 | Low | 49.5 | Very low | 25 Ų | 25 | 52.8 Ų | 52.8 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.2 | 174.8 | -73.5 | -104.7 | 0 | 0 | 0 | 109.5 | V1798 R1800 Y2224 I2225 W2240 L2247 | V1798-Y2242 WeakPolarHBondContact CB-OH 3.36Å; V1798-Y2242 HydrophobicContact CG1-CE2 4.5Å; V1798-Y2242 PolarHBondContact O-OH 2.76Å; R1800-Y2242 HydrophobicContact CG-CE2 4.49Å; R1800-Y2242 VanDerWaalsContact NH2-CE2 3.31Å; Y2224-Y2242 CarbonylContact C-O 3.54Å; Y2224-Y2242 VanDerWaalsContact CA-O 3.26Å; Y2224-Y2242 WeakPolarHBondContact CA-O 3.31Å; I2225-Y2242 PolarHBondContact N-O 2.81Å; I2225-Y2242 PolarHBondContact O-N 3.05Å; W2240-Y2242 HydrophobicContact CB-CD2 4.49Å; W2240-Y2242 HydrophobicContact CB-CE2 4.05Å; Y2242-L2247 HydrophobicContact CD1-CD1 4.35Å; Y2242-L2247 HydrophobicContact CD1-CG 4.09Å |
| 2243 | S | 56.6 | Low | 48.4 | Very low | 10 Ų | 10 | 59.4 Ų | 59.4 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 152.3 | 156.2 | 91 | 0 | 0 | 0 | 0 | 108.8 | D2245 D2246 L2247 | S2243-D2245 PolarHBondContact O-N 3.45Å; S2243-D2245 WeakPolarHBondContact OG-CB 3.43Å; S2243-D2245 PolarHBondContact OG-N 3.09Å; S2243-D2246 WeakPolarHBondContact CB-OD2 3.36Å; S2243-D2246 PolarHBondContact OG-N 3.23Å; S2243-D2246 VanDerWaalsContact OG-N 3.09Å; S2243-D2246 PolarHBondContact OG-OD2 3.14Å; S2243-L2247 PolarHBondContact O-N 2.54Å |
| 2244 | I | 54.4 | Low | 47.5 | Very low | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.087 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -35.5 | 173.8 | -73.8 | 168.1 | 0 | 0 | 0 | 111.2 | I2133 L2164 P2223 I2225 D2246 L2247 I2248 | I2133-I2244 HydrophobicContact CD1-CD1 3.47Å; I2133-I2244 VanDerWaalsContact CD1-CD1 3.47Å; L2164-I2244 HydrophobicContact CD1-CG2 4.03Å; P2223-I2244 HydrophobicContact CB-CD1 3.83Å; P2223-I2244 HydrophobicContact CG-CD1 4.1Å; P2223-I2244 WeakPolarHBondContact O-CG1 3.43Å; P2223-I2244 PolarHBondContact O-N 3.47Å; I2225-I2244 HydrophobicContact CD1-CG1 3.99Å; I2225-I2244 HydrophobicContact CG1-CD1 4.48Å; I2225-I2244 HydrophobicContact CG1-CG1 3.98Å; I2244-D2246 PolarHBondContact O-N 3.48Å; I2244-L2247 PolarHBondContact O-N 3.07Å; I2244-I2248 HydrophobicContact CG2-CD1 3.84Å; I2244-I2248 WeakPolarHBondContact O-CG1 3.12Å; I2244-I2248 PolarHBondContact O-N 3.32Å; I2244-I2248 VanDerWaalsContact O-N 3.1Å |
| 2245 | D | 52.4 | Low | 46.5 | Very low | 57 Ų | 57 | 56.2 Ų | 56.2 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 178.2 | -108.2 | 51.7 | 0 | 0 | 0 | 113.1 | N2222 S2243 I2248 K2249 | N2222-D2245 PolarHBondContact ND2-OD1 3Å; S2243-D2245 PolarHBondContact O-N 3.45Å; S2243-D2245 WeakPolarHBondContact OG-CB 3.43Å; S2243-D2245 PolarHBondContact OG-N 3.09Å; D2245-I2248 PolarHBondContact O-N 3.35Å; D2245-K2249 WeakPolarHBondContact O-CD 2.86Å; D2245-K2249 VanDerWaalsContact O-CG 3.27Å; D2245-K2249 WeakPolarHBondContact O-CG 3.13Å; D2245-K2249 PolarHBondContact O-N 3.38Å; D2245-K2249 WeakPolarHBondContact OD2-CE 3.34Å; D2245-K2249 IonicContact OD2-NZ 2.73Å; D2245-K2249 PolarHBondContact OD2-NZ 3.01Å |
| 2246 | D | 52.7 | Low | 46.1 | Very low | 43 Ų | 43 | 55.1 Ų | 55.1 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | -177.6 | -57.1 | -48.8 | 0 | 0 | 0 | 110.5 | S2243 I2244 I2248 K2249 T2250 | S2243-D2246 WeakPolarHBondContact CB-OD2 3.36Å; S2243-D2246 PolarHBondContact OG-N 3.23Å; S2243-D2246 VanDerWaalsContact OG-N 3.09Å; S2243-D2246 PolarHBondContact OG-OD2 3.14Å; I2244-D2246 PolarHBondContact O-N 3.48Å; D2246-I2248 PolarHBondContact O-N 2.91Å; D2246-K2249 PolarHBondContact O-N 3.49Å; D2246-K2249 VanDerWaalsContact O-N 3.14Å; D2246-T2250 WeakPolarHBondContact O-CG2 3.45Å; D2246-T2250 PolarHBondContact O-N 3.35Å; D2246-T2250 PolarHBondContact O-OG1 2.95Å; D2246-T2250 VanDerWaalsContact O-OG1 3.07Å |
| 2247 | L | 53.3 | Low | 45.9 | Very low | 16 Ų | 16 | 58.1 Ų | 58.1 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -30.8 | 175.2 | -134.7 | 173 | 0 | 0 | 0 | 112.3 | A2165 L2167 I2225 Y2242 S2243 I2244 T2250 | A2165-L2247 HydrophobicContact CB-CD2 3.65Å; L2167-L2247 HydrophobicContact CD1-CD2 4.03Å; I2225-L2247 HydrophobicContact CD1-CD1 4.32Å; Y2242-L2247 HydrophobicContact CD1-CD1 4.35Å; Y2242-L2247 HydrophobicContact CD1-CG 4.09Å; S2243-L2247 PolarHBondContact O-N 2.54Å; I2244-L2247 PolarHBondContact O-N 3.07Å; L2247-T2250 PolarHBondContact O-OG1 3.06Å |
| 2248 | I | 48.2 | Very low | 45.6 | Very low | 75 Ų | 75 | 62.7 Ų | 62.7 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.4 | -44.4 | 172.1 | -66.2 | 163 | 0 | 0 | 0 | 110.9 | L2164 I2244 D2245 D2246 T2250 | L2164-I2248 HydrophobicContact CD2-CD1 4.28Å; I2244-I2248 HydrophobicContact CG2-CD1 3.84Å; I2244-I2248 WeakPolarHBondContact O-CG1 3.12Å; I2244-I2248 PolarHBondContact O-N 3.32Å; I2244-I2248 VanDerWaalsContact O-N 3.1Å; D2245-I2248 PolarHBondContact O-N 3.35Å; D2246-I2248 PolarHBondContact O-N 2.91Å; I2248-T2250 PolarHBondContact O-N 3.34Å |
| 2249 | K | 46.7 | Very low | 45.7 | Very low | 118 Ų | 118 | 64 Ų | 64 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.9 | -30.3 | -176.2 | -70.8 | 162 | -164.2 | 158.8 | 0 | 113.7 | D2245 D2246 Q2251 T2252 | D2245-K2249 WeakPolarHBondContact O-CD 2.86Å; D2245-K2249 VanDerWaalsContact O-CG 3.27Å; D2245-K2249 WeakPolarHBondContact O-CG 3.13Å; D2245-K2249 PolarHBondContact O-N 3.38Å; D2245-K2249 WeakPolarHBondContact OD2-CE 3.34Å; D2245-K2249 IonicContact OD2-NZ 2.73Å; D2245-K2249 PolarHBondContact OD2-NZ 3.01Å; D2246-K2249 PolarHBondContact O-N 3.49Å; D2246-K2249 VanDerWaalsContact O-N 3.14Å; K2249-Q2251 PolarHBondContact O-N 2.94Å; K2249-T2252 PolarHBondContact O-N 2.94Å |
| 2250 | T | 44.3 | Very low | 45.3 | Very low | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 4.7 | -177.2 | 45.9 | 0 | 0 | 0 | 0 | 115.7 | D2246 L2247 I2248 T2252 | D2246-T2250 WeakPolarHBondContact O-CG2 3.45Å; D2246-T2250 PolarHBondContact O-N 3.35Å; D2246-T2250 PolarHBondContact O-OG1 2.95Å; D2246-T2250 VanDerWaalsContact O-OG1 3.07Å; L2247-T2250 PolarHBondContact O-OG1 3.06Å; I2248-T2250 PolarHBondContact O-N 3.34Å; T2250-T2252 PolarHBondContact O-N 3.1Å |
| 2251 | Q | 43.4 | Very low | 44.9 | Very low | 161 Ų | 161 | 71.4 Ų | 71.4 | 75% | 0.752 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.8 | 169.9 | -67.4 | -166.8 | 7.1 | 0 | 0 | 113.5 | K2249 | K2249-Q2251 PolarHBondContact O-N 2.94Š|
| 2252 | T | 37.1 | Very low | 44.4 | Very low | 114 Ų | 114 | 72.5 Ų | 72.5 | 70% | 0.699 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -116.7 | 110 | 177.6 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | K2249 T2250 | K2249-T2252 PolarHBondContact O-N 2.94Å; T2250-T2252 PolarHBondContact O-N 3.1Å |
| 2253 | E | 30.6 | Very low | 43.6 | Very low | 175 Ų | 175 | 73.1 Ų | 73.1 | 82% | 0.818 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 69.7 | 138.5 | 167.6 | -55.1 | -168 | 166.7 | 0 | 0 | 118.3 | S2255 | E2253-S2255 PolarHBondContact O-N 3.43Š|
| 2254 | S | 33.5 | Very low | 42.7 | Very low | 36 Ų | 36 | 73 Ų | 73 | 25% | 0.252 | 40% | 0.403 | S | S | . | . | trans | -81.8 | 83.3 | -163 | 46.4 | 0 | 0 | 0 | 0 | 114 | N1794 N1795 | N1794-S2254 WeakPolarHBondContact CA-O 3.14Å; N1794-S2254 WeakPolarHBondContact CB-O 3.47Å; N1794-S2254 PolarHBondContact ND2-O 3.11Å; N1794-S2254 PolarHBondContact ND2-OG 3.19Å; N1795-S2254 WeakPolarHBondContact OD1-CB 3.15Å | ||
| 2255 | S | 32.3 | Very low | 42.1 | Very low | 63 Ų | 63 | 76.3 Ų | 76.3 | 44% | 0.441 | 42% | 0.417 | S | S | . | . | trans | -115.2 | 117.2 | 173.8 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | E2253 S2257 | E2253-S2255 PolarHBondContact O-N 3.43Å; S2255-S2257 PolarHBondContact O-N 3.4Å | ||
| 2256 | S | 40.5 | Very low | 41.5 | Very low | 67 Ų | 67 | 74.4 Ų | 74.4 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | trans | -90.6 | 6.7 | -167 | 46.3 | 0 | 0 | 0 | 0 | 115.7 | N1795 | N1795-S2256 VanDerWaalsContact O-CB 3.31Å; N1795-S2256 WeakPolarHBondContact O-CB 2.95Å | ||
| 2257 | S | 36.7 | Very low | 40.8 | Very low | 105 Ų | 105 | 77.9 Ų | 77.9 | 73% | 0.734 | 42% | 0.422 | S | S | * | . | trans | -100.8 | 15.9 | -164 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | S2255 | S2255-S2257 PolarHBondContact O-N 3.4Š| ||
| 2258 | L | 43.2 | Very low | 39.9 | Very low | 101 Ų | 101 | 79.2 Ų | 79.2 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -114.3 | 21.9 | -170 | -82.5 | 163.8 | 0 | 0 | 0 | 114.9 | ||
| 2259 | C | 46.2 | Very low | 39.1 | Very low | 31 Ų | 31 | 79 Ų | 79 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -131.3 | 136 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | V1798 W2240 I2241 Q2261 | V1798-C2259 HydrophobicContact CG1-CB 3.8Å; W2240-C2259 VanDerWaalsContact CB-SG 3.59Å; I2241-C2259 PolarHBondContact O-SG 3.05Å; C2259-Q2261 PolarHBondContact O-N 3.37Å |
| 2260 | L | 40.5 | Very low | 38.4 | Very low | 108 Ų | 108 | 75.4 Ų | 75.4 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 101.5 | 173 | -170.2 | 74.5 | 0 | 0 | 0 | 109.1 | I2262 | L2260-I2262 HydrophobicContact CD2-CD1 3.91Å; L2260-I2262 HydrophobicContact CD2-CG1 4.12Å; L2260-I2262 HydrophobicContact CG-CD1 4.41Å; L2260-I2262 HydrophobicContact CG-CG1 4.06Å |
| 2261 | Q | 43.9 | Very low | 37.7 | Very low | 70 Ų | 70 | 74.1 Ų | 74.1 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.1 | 170.5 | -177.9 | 168.2 | -18.1 | 0 | 0 | 109.8 | N2238 L2239 W2240 C2259 | N2238-Q2261 HydrophobicContact CB-CG 4.48Å; N2238-Q2261 PolarHBondContact OD1-NE2 2.9Å; L2239-Q2261 WeakPolarHBondContact O-CA 3.36Å; W2240-Q2261 HydrophobicContact CZ2-CG 4.18Å; W2240-Q2261 VanDerWaalsContact NE1-CB 3.33Å; C2259-Q2261 PolarHBondContact O-N 3.37Å |
| 2262 | I | 39.6 | Very low | 37 | Very low | 66 Ų | 66 | 69.8 Ų | 69.8 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.5 | 173.6 | -56.8 | 178.6 | 0 | 0 | 0 | 109.7 | N2238 L2239 L2260 | N2238-I2262 CarbonylContact C-O 3.58Å; L2239-I2262 HydrophobicContact CB-CB 4.44Å; L2239-I2262 PolarHBondContact N-O 2.77Å; L2239-I2262 PolarHBondContact O-N 3Å; L2260-I2262 HydrophobicContact CD2-CD1 3.91Å; L2260-I2262 HydrophobicContact CD2-CG1 4.12Å; L2260-I2262 HydrophobicContact CG-CD1 4.41Å; L2260-I2262 HydrophobicContact CG-CG1 4.06Å |
| 2263 | P | 38.9 | Very low | 36.6 | Very low | 38 Ų | 38 | 69.4 Ų | 69.4 | 25% | 0.247 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.8 | 155.1 | 33 | -32.7 | 0 | 0 | 0 | 110.6 | Y1781 Q1783 | Y1781-P2263 HydrophobicContact CD1-CB 3.87Å; Y1781-P2263 HydrophobicContact CD2-CB 3.32Å; Y1781-P2263 HydrophobicContact CE1-CB 4.19Å; Y1781-P2263 HydrophobicContact CE2-CB 3.71Å; Y1781-P2263 HydrophobicContact CG-CB 3.42Å; Y1781-P2263 VanDerWaalsContact CG-CB 3.42Å; Y1781-P2263 CarbonylContact O-C 3.51Å; Q1783-P2263 WeakPolarHBondContact CG-O 3.19Å; Q1783-P2263 PolarHBondContact NE2-O 2.73Å |
| 2264 | G | 38.9 | Very low | 36.3 | Very low | 8 Ų | 8 | 67.7 Ų | 67.7 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -156.5 | 141.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1780 Y1781 T2237 V2266 | N1780-G2264 CarbonylContact C-O 3.51Å; Y1781-G2264 VanDerWaalsContact N-C 3.35Å; Y1781-G2264 PolarHBondContact N-O 2.72Å; Y1781-G2264 CarbonylContact O-C 3.15Å; Y1781-G2264 WeakPolarHBondContact O-CA 3.44Å; Y1781-G2264 PolarHBondContact O-N 3.37Å; T2237-G2264 PolarHBondContact OG1-O 2.91Å; G2264-V2266 VanDerWaalsContact C-N 3.32Å; G2264-V2266 PolarHBondContact O-N 3.28Å | ||
| 2265 | K | 41.7 | Very low | 35.9 | Very low | 86 Ų | 86 | 72.4 Ų | 72.4 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | trans | -82.8 | 67.5 | -179.6 | -171.6 | 146.3 | -160.1 | 177.6 | 0 | 113.9 | N1780 Y1781 E1782 E2235 E2267 | N1780-K2265 HydrophobicContact CB-CB 4.29Å; N1780-K2265 HydrophobicContact CB-CG 3.79Å; N1780-K2265 WeakPolarHBondContact O-CA 3.31Å; N1780-K2265 WeakPolarHBondContact O-CB 3.4Å; N1780-K2265 WeakPolarHBondContact O-CD 3.34Å; N1780-K2265 WeakPolarHBondContact O-CG 3.27Å; Y1781-K2265 PolarHBondContact O-N 3.45Å; E1782-K2265 HydrophobicContact CB-CB 3.7Å; E1782-K2265 HydrophobicContact CG-CB 4.27Å; E1782-K2265 PolarHBondContact OE1-N 3.37Å; E2235-K2265 IonicContact OE2-NZ 3.76Å; E2235-K2265 PolarHBondContact OE2-NZ 3.08Å; K2265-E2267 PolarHBondContact O-N 3.11Å | ||
| 2266 | V | 38.4 | Very low | 35.6 | Very low | 17 Ų | 17 | 74.6 Ų | 74.6 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | trans | -95 | 91 | -168.2 | -175 | 0 | 0 | 0 | 0 | 114.3 | N1780 G2264 S2268 I2269 I2294 | N1780-V2266 VanDerWaalsContact CG-C 3.41Å; N1780-V2266 PolarHBondContact ND2-O 3.38Å; N1780-V2266 PolarHBondContact OD1-O 3.44Å; G2264-V2266 VanDerWaalsContact C-N 3.32Å; G2264-V2266 PolarHBondContact O-N 3.28Å; V2266-S2268 VanDerWaalsContact CG1-O 3.31Å; V2266-S2268 WeakPolarHBondContact CG1-O 3.48Å; V2266-S2268 PolarHBondContact O-N 2.88Å; V2266-I2269 HydrophobicContact CB-CG1 3.84Å; V2266-I2269 HydrophobicContact CG1-CB 4.13Å; V2266-I2269 HydrophobicContact CG1-CG1 3.43Å; V2266-I2269 VanDerWaalsContact CG1-CG1 3.43Å; V2266-I2294 HydrophobicContact CG1-CD1 4.31Å; V2266-I2294 HydrophobicContact CG1-CG2 3.52Å; V2266-I2294 HydrophobicContact CG2-CD1 3.76Å; V2266-I2294 HydrophobicContact CG2-CG2 4.47Å | ||
| 2267 | E | 38.7 | Very low | 35 | Very low | 116 Ų | 116 | 77.1 Ų | 77.1 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -45.1 | -34 | 173.7 | -67 | -179.8 | 143.9 | 0 | 0 | 114.3 | K2265 T2296 R2297 | K2265-E2267 PolarHBondContact O-N 3.11Å; E2267-T2296 HydrophobicContact CB-CG2 4.44Å; E2267-R2297 PolarHBondContact OE2-N 2.99Å; E2267-R2297 VanDerWaalsContact OE2-N 3.17Å |
| 2268 | S | 33.8 | Very low | 34.5 | Very low | 44 Ų | 44 | 78.2 Ų | 78.2 | 31% | 0.308 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -149.4 | 113.1 | 172.9 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | V2266 I2270 L2295 | V2266-S2268 VanDerWaalsContact CG1-O 3.31Å; V2266-S2268 WeakPolarHBondContact CG1-O 3.48Å; V2266-S2268 PolarHBondContact O-N 2.88Å; S2268-I2270 PolarHBondContact O-N 2.91Å; S2268-L2295 PolarHBondContact OG-O 3.42Å |
| 2269 | I | 32.6 | Very low | 33.7 | Very low | 70 Ų | 70 | 80.2 Ų | 80.2 | 36% | 0.359 | 44% | 0.444 | S | S | . | . | trans | -78.4 | 106.3 | 177.4 | -58.6 | 171.9 | 0 | 0 | 0 | 108.7 | V2266 | V2266-I2269 HydrophobicContact CB-CG1 3.84Å; V2266-I2269 HydrophobicContact CG1-CB 4.13Å; V2266-I2269 HydrophobicContact CG1-CG1 3.43Å; V2266-I2269 VanDerWaalsContact CG1-CG1 3.43Å | ||
| 2270 | I | 31.7 | Very low | 32.8 | Very low | 43 Ų | 43 | 84 Ų | 84 | 22% | 0.221 | 47% | 0.466 | C | S | . | . | trans | -120.6 | 98.7 | -179.7 | -63.3 | 176.8 | 0 | 0 | 0 | 107.7 | Y1706 S2268 V2272 | Y1706-I2270 HydrophobicContact CD1-CG2 4.37Å; Y1706-I2270 HydrophobicContact CE1-CG2 3.68Å; Y1706-I2270 HydrophobicContact CE2-CB 4.4Å; Y1706-I2270 HydrophobicContact CE2-CG1 3.9Å; Y1706-I2270 HydrophobicContact CE2-CG2 4.34Å; S2268-I2270 PolarHBondContact O-N 2.91Å; I2270-V2272 HydrophobicContact CG2-CG2 3.79Å; I2270-V2272 PolarHBondContact O-N 2.92Å | ||
| 2271 | P | 29.8 | Very low | 32.1 | Very low | 38 Ų | 38 | 87.7 Ų | 87.7 | 25% | 0.247 | 48% | 0.478 | C | S | . | . | trans | -74.8 | 106.8 | 177.9 | 29.5 | -32.2 | 0 | 0 | 0 | 109.9 | Y1706 E1707 | Y1706-P2271 HydrophobicContact CG-CG 4.35Å; E1707-P2271 HydrophobicContact CG-CG 4.37Å | ||
| 2272 | V | 28.8 | Very low | 31.5 | Very low | 70 Ų | 70 | 90.8 Ų | 90.8 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | trans | -129.7 | 113.8 | 174.3 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | I2270 I2274 | I2270-V2272 HydrophobicContact CG2-CG2 3.79Å; I2270-V2272 PolarHBondContact O-N 2.92Å; V2272-I2274 HydrophobicContact CG1-CD1 4.46Å; V2272-I2274 HydrophobicContact CG1-CG1 3.97Å | ||
| 2273 | F | 27.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 96.1 Ų | 96.1 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | trans | -93 | 122.9 | 171.3 | -65.9 | -71.7 | 0 | 0 | 0 | 109.7 | L2290 L2292 | F2273-L2290 HydrophobicContact CD1-CD2 4.27Å; F2273-L2290 HydrophobicContact CE1-CD2 3.69Å; F2273-L2290 HydrophobicContact CZ-CD2 4.43Å; F2273-L2292 HydrophobicContact CE1-CD1 4Å; F2273-L2292 HydrophobicContact CZ-CD1 3.96Å | ||
| 2274 | I | 25.3 | Very low | 30.3 | Very low | 139 Ų | 139 | 103 Ų | 103 | 71% | 0.713 | 55% | 0.547 | S | S | * | . | trans | -106.8 | 128.9 | 175.4 | -58.7 | -177.9 | 0 | 0 | 0 | 108.6 | V2272 P2276 | V2272-I2274 HydrophobicContact CG1-CD1 4.46Å; V2272-I2274 HydrophobicContact CG1-CG1 3.97Å; I2274-P2276 WeakPolarHBondContact O-CD 3.43Å | ||
| 2275 | L | 25.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 108.1 Ų | 108.1 | 71% | 0.712 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.1 | -179.7 | -71.6 | 134 | 0 | 0 | 0 | 111.6 | ||
| 2276 | P | 25.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 110.9 Ų | 110.9 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 130.5 | 162.7 | 30.5 | -31.6 | 0 | 0 | 0 | 109.3 | I2274 T2278 | I2274-P2276 WeakPolarHBondContact O-CD 3.43Å; P2276-T2278 PolarHBondContact O-N 3.13Å |
| 2277 | S | 27.2 | Very low | 28.7 | Very low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.9 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | N2279 | S2277-N2279 PolarHBondContact O-N 2.71Š|
| 2278 | T | 28.1 | Very low | 28.3 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 78% | 0.779 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.5 | -173.1 | 40.8 | 0 | 0 | 0 | 0 | 113.9 | P2276 | P2276-T2278 PolarHBondContact O-N 3.13Š|
| 2279 | N | 26.4 | Very low | 28 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -167.1 | 113.5 | 135.6 | -103.1 | -41.7 | 0 | 0 | 0 | 115.4 | S2277 | S2277-N2279 PolarHBondContact O-N 2.71Š| ||
| 2280 | T | 26.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | 58.8 | 118.5 | 143 | 62.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2281 | K | 26.6 | Very low | 27.5 | Very low | 186 Ų | 186 | 131 Ų | 131 | 81% | 0.809 | 68% | 0.683 | S | S | * | * | trans | 100 | 145.8 | 135 | -72.8 | 166.1 | -179.5 | 177.1 | 0 | 120.6 | ||||
| 2282 | T | 29.5 | Very low | 27.4 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 69% | 0.694 | S | S | * | * | trans | 70.9 | 112.3 | 166.9 | 39.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 2283 | Y | 26.2 | Very low | 27.4 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | -63.8 | 141.6 | 171.3 | -62.2 | -112.2 | 0 | 0 | 0 | 111.7 | D2213 | D2213-Y2283 PolarHBondContact OD2-OH 3.46Š| ||
| 2284 | H | 28.1 | Very low | 27.3 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | S | Bend | 177.7 | -9.1 | 119.1 | -107.9 | -69.7 | 0 | 0 | 0 | 114.2 | |||
| 2285 | L | 29 | Very low | 27.3 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | trans | -123.3 | 49.8 | -166.8 | -116.4 | 165.5 | 0 | 0 | 0 | 113 | L2287 S2288 | L2285-L2287 PolarHBondContact O-N 2.99Å; L2285-L2287 VanDerWaalsContact O-N 3.1Å; L2285-S2288 PolarHBondContact O-N 3.47Å; L2285-S2288 PolarHBondContact O-OG 3.04Å | ||
| 2286 | I | 27.9 | Very low | 27.4 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -53 | -33.4 | -176.2 | -70.4 | 162.9 | 0 | 0 | 0 | 112.7 | S2288 | I2286-S2288 PolarHBondContact O-N 3.18Å; I2286-S2288 VanDerWaalsContact O-N 3.13Å |
| 2287 | L | 28.7 | Very low | 27.3 | Very low | 167 Ų | 167 | 135 Ų | 135 | 87% | 0.874 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -64 | -9.9 | 175.5 | -92.2 | 159.1 | 0 | 0 | 0 | 115.5 | L2285 | L2285-L2287 PolarHBondContact O-N 2.99Å; L2285-L2287 VanDerWaalsContact O-N 3.1Å |
| 2288 | S | 30 | Very low | 27.3 | Very low | 66 Ų | 66 | 133.7 Ų | 133.7 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -106.5 | -8 | -175.8 | 66 | 0 | 0 | 0 | 0 | 115.6 | L2285 I2286 | L2285-S2288 PolarHBondContact O-N 3.47Å; L2285-S2288 PolarHBondContact O-OG 3.04Å; I2286-S2288 PolarHBondContact O-N 3.18Å; I2286-S2288 VanDerWaalsContact O-N 3.13Å |
| 2289 | Y | 27.2 | Very low | 27.3 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | trans | -89 | -5.8 | -178.1 | -84.4 | -82.4 | 0 | 0 | 0 | 114.6 | Q2291 | Y2289-Q2291 VanDerWaalsContact C-N 3.31Å; Y2289-Q2291 PolarHBondContact O-N 3.21Å | ||
| 2290 | L | 27.1 | Very low | 27.3 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | trans | -80.9 | 73.7 | 171 | -78.5 | 162.6 | 0 | 0 | 0 | 110.9 | F2273 L2292 | F2273-L2290 HydrophobicContact CD1-CD2 4.27Å; F2273-L2290 HydrophobicContact CE1-CD2 3.69Å; F2273-L2290 HydrophobicContact CZ-CD2 4.43Å; L2290-L2292 VanDerWaalsContact C-N 3.29Å; L2290-L2292 PolarHBondContact O-N 3.02Å | ||
| 2291 | Q | 27.2 | Very low | 27.3 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | trans | -73.9 | 83.4 | 169 | -76.9 | -165.9 | -46.3 | 0 | 0 | 110.8 | Y2289 I2293 | Y2289-Q2291 VanDerWaalsContact C-N 3.31Å; Y2289-Q2291 PolarHBondContact O-N 3.21Å; Q2291-I2293 PolarHBondContact O-N 3.37Å | ||
| 2292 | L | 28.2 | Very low | 27.2 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 47% | 0.471 | 69% | 0.688 | S | S | . | * | trans | -80.8 | 101.6 | 174.9 | -175.1 | 134.5 | 0 | 0 | 0 | 109.6 | F2273 L2290 I2294 | F2273-L2292 HydrophobicContact CE1-CD1 4Å; F2273-L2292 HydrophobicContact CZ-CD1 3.96Å; L2290-L2292 VanDerWaalsContact C-N 3.29Å; L2290-L2292 PolarHBondContact O-N 3.02Å; L2292-I2294 HydrophobicContact CD2-CD1 3.82Å; L2292-I2294 HydrophobicContact CD2-CG1 3.63Å | ||
| 2293 | I | 27.4 | Very low | 27 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | trans | -94.3 | 115.9 | 179.2 | -62.1 | 179.6 | 0 | 0 | 0 | 109.6 | Q2291 | Q2291-I2293 PolarHBondContact O-N 3.37Š| ||
| 2294 | I | 27.6 | Very low | 26.9 | Very low | 61 Ų | 61 | 136 Ų | 136 | 31% | 0.313 | 69% | 0.685 | S | S | . | * | trans | -94.1 | 126.7 | 176.2 | -56.9 | 178 | 0 | 0 | 0 | 108.7 | V2266 L2292 T2296 | V2266-I2294 HydrophobicContact CG1-CD1 4.31Å; V2266-I2294 HydrophobicContact CG1-CG2 3.52Å; V2266-I2294 HydrophobicContact CG2-CD1 3.76Å; V2266-I2294 HydrophobicContact CG2-CG2 4.47Å; L2292-I2294 HydrophobicContact CD2-CD1 3.82Å; L2292-I2294 HydrophobicContact CD2-CG1 3.63Å; I2294-T2296 HydrophobicContact CG2-CG2 4.41Å | ||
| 2295 | L | 24.7 | Very low | 26.8 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | trans | -94.4 | 102.8 | 174.8 | -76.1 | 166.9 | 0 | 0 | 0 | 110.5 | S2268 | S2268-L2295 PolarHBondContact OG-O 3.42Š| ||
| 2296 | T | 26.6 | Very low | 26.5 | Very low | 81 Ų | 81 | 131 Ų | 131 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | trans | -88.5 | 159.6 | 167.7 | 52.1 | 0 | 0 | 0 | 0 | 111.1 | E2267 I2294 | E2267-T2296 HydrophobicContact CB-CG2 4.44Å; I2294-T2296 HydrophobicContact CG2-CG2 4.41Å | ||
| 2297 | R | 24.1 | Very low | 26.3 | Very low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | -144.9 | 66.5 | -168.9 | -162.6 | -177.2 | -178.3 | 179.1 | 0.5 | 112.5 | E2267 | E2267-R2297 PolarHBondContact OE2-N 2.99Å; E2267-R2297 VanDerWaalsContact OE2-N 3.17Å | ||
| 2298 | S | 27.3 | Very low | 26 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | trans | -53.9 | 138.2 | 178.5 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2299 | S | 26.7 | Very low | 25.7 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | trans | -87.7 | 117.2 | 178 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2300 | L | 26.2 | Very low | 25.4 | Very low | 162 Ų | 162 | 125.2 Ų | 125.2 | 85% | 0.848 | 64% | 0.64 | S | S | * | * | trans | -139.4 | 144.1 | 170.1 | -109.5 | 168.5 | 0 | 0 | 0 | 111.8 | ||||
| 2301 | N | 26.2 | Very low | 25.4 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -71.3 | 137.2 | -159.8 | -77.3 | -73.5 | 0 | 0 | 0 | 114.5 | ||
| 2302 | K | 25.5 | Very low | 25.2 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 80% | 0.8 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 55.8 | 82.8 | 159.2 | -59.9 | 176.2 | -178.8 | 177.2 | 0 | 116.1 | ||
| 2303 | H | 26.1 | Very low | 25.2 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 87% | 0.87 | 66% | 0.655 | S | S | * | * | S | Bend | -180 | -175.6 | 120.9 | -92.6 | -61.6 | 0 | 0 | 0 | 110.3 | |||
| 2304 | Q | 23.2 | Very low | 25.5 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 62% | 0.617 | 67% | 0.665 | S | S | * | * | trans | -61.9 | 143.3 | -166.4 | -69 | 168.8 | -69.9 | 0 | 0 | 114.2 | E2306 | Q2304-E2306 PolarHBondContact O-N 2.93Å; Q2304-E2306 VanDerWaalsContact O-N 3.15Å | ||
| 2305 | T | 25.8 | Very low | 25.6 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 69% | 0.69 | S | S | * | * | trans | -72.2 | 100.5 | 174 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2306 | E | 22 | Very low | 25.6 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 43% | 0.425 | 69% | 0.689 | S | S | . | * | trans | -85.8 | 114.5 | 170.4 | -63.2 | -168.8 | 143 | 0 | 0 | 111.2 | Q2304 K2323 | Q2304-E2306 PolarHBondContact O-N 2.93Å; Q2304-E2306 VanDerWaalsContact O-N 3.15Å; E2306-K2323 VanDerWaalsContact CD-CE 3.49Å; E2306-K2323 HydrophobicContact CG-CD 4.48Å; E2306-K2323 WeakPolarHBondContact OE1-CD 3.28Å; E2306-K2323 WeakPolarHBondContact OE1-CE 3.48Å; E2306-K2323 IonicContact OE1-NZ 3.51Å; E2306-K2323 PolarHBondContact OE1-NZ 2.97Å; E2306-K2323 WeakPolarHBondContact OE2-CE 3.36Å; E2306-K2323 IonicContact OE2-NZ 2.68Å; E2306-K2323 PolarHBondContact OE2-NZ 3.19Å | ||
| 2307 | I | 24.7 | Very low | 25.5 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 62% | 0.621 | 71% | 0.708 | S | S | * | * | B | Isolated β-bridge | trans | -84 | 118.5 | 169.3 | -58.3 | 176.1 | 0 | 0 | 0 | 108.3 | L2309 | I2307-L2309 HydrophobicContact CG2-CG 4.47Å |
| 2308 | Q | 21.9 | Very low | 25.6 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 41% | 0.407 | 71% | 0.71 | S | S | . | * | trans | -116.7 | 100.2 | 174.3 | -66.4 | -164.3 | 53.4 | 0 | 0 | 110.4 | S2321 K2323 | Q2308-S2321 PolarHBondContact OE1-OG 3.05Å; Q2308-K2323 HydrophobicContact CG-CG 4.14Å | ||
| 2309 | L | 23.9 | Very low | 25.5 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | trans | -73.5 | 124.9 | 171.9 | -68 | 166.5 | 0 | 0 | 0 | 109.7 | I2307 | I2307-L2309 HydrophobicContact CG2-CG 4.47Š| ||
| 2310 | L | 22.1 | Very low | 25.3 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 52% | 0.524 | 71% | 0.713 | S | S | . | * | trans | -115.9 | 96.2 | -177.9 | -82.5 | 161.6 | 0 | 0 | 0 | 110 | F2312 I2319 | L2310-F2312 HydrophobicContact CB-CE2 4.45Å; L2310-F2312 PolarHBondContact O-N 3.19Å; L2310-I2319 HydrophobicContact CD2-CG2 3.88Å | ||
| 2311 | N | 25.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 135 Ų | 135 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | trans | -76.7 | 114 | 173.6 | -73.1 | 9.3 | 0 | 0 | 0 | 110.3 | Y2313 | N2311-Y2313 HydrophobicContact CB-CD2 4.21Å; N2311-Y2313 HydrophobicContact CB-CE2 3.53Å; N2311-Y2313 PolarHBondContact ND2-OH 3.13Å; N2311-Y2313 VanDerWaalsContact ND2-OH 3.13Å; N2311-Y2313 PolarHBondContact O-N 3.11Å | ||
| 2312 | F | 24.8 | Very low | 25.1 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | trans | -81.4 | 97.3 | 172.6 | -76.7 | -92.2 | 0 | 0 | 0 | 110.9 | L2310 | L2310-F2312 HydrophobicContact CB-CE2 4.45Å; L2310-F2312 PolarHBondContact O-N 3.19Å | ||
| 2313 | Y | 27.3 | Very low | 25 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | trans | -83.6 | 121.7 | 166.3 | -62.1 | -76.7 | 0 | 0 | 0 | 109.4 | N2311 N2315 | N2311-Y2313 HydrophobicContact CB-CD2 4.21Å; N2311-Y2313 HydrophobicContact CB-CE2 3.53Å; N2311-Y2313 PolarHBondContact ND2-OH 3.13Å; N2311-Y2313 VanDerWaalsContact ND2-OH 3.13Å; N2311-Y2313 PolarHBondContact O-N 3.11Å; Y2313-N2315 PolarHBondContact O-N 3.11Å | ||
| 2314 | S | 34.6 | Very low | 24.9 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 3.8 | -162.5 | 50.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 2315 | N | 28.3 | Very low | 25 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 50.8 | -177.1 | -80.8 | -52.9 | 0 | 0 | 0 | 114 | Y2313 | Y2313-N2315 PolarHBondContact O-N 3.11Š|
| 2316 | G | 25.5 | Very low | 25 | Very low | 64 Ų | 64 | 127.1 Ų | 127.1 | 66% | 0.66 | 66% | 0.661 | S | S | * | * | trans | 84.3 | 141 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 2317 | L | 24.2 | Very low | 25.4 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 91% | 0.906 | 68% | 0.676 | S | S | * | * | trans | 73.7 | 133.6 | 165.2 | -79.8 | 155.4 | 0 | 0 | 0 | 120.4 | ||||
| 2318 | Q | 26.9 | Very low | 25.3 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | 63.1 | 97.8 | 168 | -62.7 | -160.3 | -5.5 | 0 | 0 | 119.4 | ||||
| 2319 | I | 23.6 | Very low | 25.5 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -68.5 | 134.7 | 168.8 | -58 | 159.8 | 0 | 0 | 0 | 110.7 | L2310 | L2310-I2319 HydrophobicContact CD2-CG2 3.88Š| ||
| 2320 | K | 23.4 | Very low | 25.4 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | trans | -136.7 | 88.4 | 163.6 | -73.8 | -174.6 | 178.8 | 173.7 | 0 | 110.7 | ||||
| 2321 | S | 24 | Very low | 25.4 | Very low | 46 Ų | 46 | 143.6 Ų | 143.6 | 32% | 0.322 | 73% | 0.731 | S | S | . | * | trans | -73.4 | 150 | 168.7 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | Q2308 | Q2308-S2321 PolarHBondContact OE1-OG 3.05Š| ||
| 2322 | K | 23.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -132 | 113.7 | 176.8 | -156.3 | 176.6 | -175.2 | -175.4 | 0 | 109 | ||||
| 2323 | K | 24.3 | Very low | 25.1 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 42% | 0.417 | 74% | 0.736 | S | S | . | * | trans | -83.3 | 144.9 | -173.8 | -61.4 | 172.9 | 173.7 | -168.6 | 0 | 111 | E2306 Q2308 | E2306-K2323 VanDerWaalsContact CD-CE 3.49Å; E2306-K2323 HydrophobicContact CG-CD 4.48Å; E2306-K2323 WeakPolarHBondContact OE1-CD 3.28Å; E2306-K2323 WeakPolarHBondContact OE1-CE 3.48Å; E2306-K2323 IonicContact OE1-NZ 3.51Å; E2306-K2323 PolarHBondContact OE1-NZ 2.97Å; E2306-K2323 WeakPolarHBondContact OE2-CE 3.36Å; E2306-K2323 IonicContact OE2-NZ 2.68Å; E2306-K2323 PolarHBondContact OE2-NZ 3.19Å; Q2308-K2323 HydrophobicContact CG-CG 4.14Å | ||
| 2324 | I | 23.4 | Very low | 24.8 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | B | Isolated β-bridge | trans | -127 | 131.6 | 169.8 | -59.2 | 178.4 | 0 | 0 | 0 | 107.3 | ||
| 2325 | I | 24.9 | Very low | 24.3 | Very low | 83 Ų | 83 | 141 Ų | 141 | 43% | 0.426 | 75% | 0.745 | S | S | . | * | trans | -136.6 | 125.8 | -172.3 | -61.8 | 164.7 | 0 | 0 | 0 | 108.3 | ||||
| 2326 | G | 27 | Very low | 24 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | -104.7 | 137.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2327 | P | 28.8 | Very low | 23.9 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | trans | -104.5 | 147.1 | -179.7 | 37.6 | -32.2 | 0 | 0 | 0 | 114 | ||||
| 2328 | Q | 24.1 | Very low | 23.8 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -71.8 | 158.5 | 153.5 | -59.8 | 166.9 | -58.8 | 0 | 0 | 109.4 | ||||
| 2329 | Y | 25.2 | Very low | 23.8 | Very low | 238 Ų | 238 | 144.9 Ų | 144.9 | 93% | 0.933 | 75% | 0.746 | S | S | * | * | -165.2 | 155.5 | 128 | -102.9 | -62 | 0 | 0 | 0 | 112 | |||||
| 2330 | V | 21.7 | Very low | 23.9 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -103.6 | 154.7 | -171.2 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2331 | Y | 23 | Very low | 23.9 | Very low | 220 Ų | 220 | 143.7 Ų | 143.7 | 86% | 0.863 | 75% | 0.747 | S | S | * | * | trans | -36.9 | 138.7 | 167.9 | -102.7 | -99.9 | 0 | 0 | 0 | 114.3 | ||||
| 2332 | N | 21.3 | Very low | 23.8 | Very low | 165 Ų | 165 | 150 Ų | 150 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -146.7 | 152.3 | 151.4 | -109.7 | -47.8 | 0 | 0 | 0 | 110.5 | ||||
| 2333 | A | 22.5 | Very low | 23.8 | Very low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | -92.6 | 171 | -163 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2334 | C | 21 | Very low | 23.8 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 86.4 | 163.6 | -60.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2335 | M | 23.8 | Very low | 23.9 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -138.8 | 159.3 | 136.8 | -91.4 | -58.1 | 167.9 | 0 | 0 | 110.3 | ||||
| 2336 | N | 22.4 | Very low | 23.9 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 158.7 | -163.7 | -65.7 | -38.8 | 0 | 0 | 0 | 114.3 | ||||
| 2337 | E | 22.8 | Very low | 23.9 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | 50.5 | 89.8 | 148.6 | -68.6 | 173.4 | -165.2 | 0 | 0 | 118.6 | ||||
| 2338 | N | 23.1 | Very low | 23.6 | Very low | 147 Ų | 147 | 157.5 Ų | 157.5 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | 171 | 144.9 | 98.1 | -90.1 | -64.4 | 0 | 0 | 0 | 114.3 | |||||
| 2339 | Q | 26.1 | Very low | 23.7 | Very low | 188 Ų | 188 | 158.5 Ų | 158.5 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | 60.8 | 132.2 | 170.7 | -63.8 | -171.8 | -15.2 | 0 | 0 | 118.7 | ||||
| 2340 | P | 26.4 | Very low | 23.8 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -98.8 | -173.5 | -172.4 | 40.2 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 2341 | F | 22 | Very low | 24.1 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 82.8 | 67.4 | 179.6 | -57.8 | -71.1 | 0 | 0 | 0 | 116.4 | ||||
| 2342 | L | 21.8 | Very low | 24.2 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 94% | 0.937 | 78% | 0.784 | S | S | * | * | trans | -123.3 | 103.7 | 159.9 | -85.9 | 168.6 | 0 | 0 | 0 | 110.9 | ||||
| 2343 | S | 23.7 | Very low | 24.6 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -149.1 | 85.4 | 163.5 | 55.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 2344 | S | 24.3 | Very low | 24.8 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 93.7 | 85.6 | 81.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2345 | F | 26.6 | Very low | 25.2 | Very low | 201 Ų | 201 | 145.3 Ų | 145.3 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | 48.9 | 111.4 | 151 | -56.4 | -78.6 | 0 | 0 | 0 | 121 | ||||
| 2346 | P | 23.4 | Very low | 25.7 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -116.4 | 162.7 | 138.5 | 35.4 | -26.9 | 0 | 0 | 0 | 112.3 | ||||
| 2347 | L | 27.2 | Very low | 26.1 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 90% | 0.901 | 75% | 0.754 | S | S | * | * | trans | -83.4 | 159 | -169.2 | -85 | 76.4 | 0 | 0 | 0 | 115.2 | ||||
| 2348 | I | 23.7 | Very low | 26.4 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | trans | -74.3 | 129 | 176.1 | -60.4 | 164.1 | 0 | 0 | 0 | 110.5 | ||||
| 2349 | K | 25.8 | Very low | 26.7 | Very low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | -119 | 111.4 | 159.1 | -84.2 | -170.9 | 173.1 | -175.5 | 0 | 109.8 | ||||
| 2350 | S | 27.1 | Very low | 26.9 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | trans | -87.4 | 116.2 | 170.4 | 52 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2351 | V | 27.9 | Very low | 27 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 59% | 0.594 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 119 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | I2353 | V2351-I2353 HydrophobicContact CG1-CD1 4.46Å; V2351-I2353 HydrophobicContact CG1-CG1 3.91Å |
| 2352 | I | 26 | Very low | 27.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 58% | 0.579 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 99.4 | -179.8 | -57.6 | 175.4 | 0 | 0 | 0 | 107.3 | I2359 | I2352-I2359 HydrophobicContact CG2-CG2 3.81Å |
| 2353 | I | 28.7 | Very low | 27.9 | Very low | 102 Ų | 102 | 117.9 Ų | 117.9 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 113.6 | 177.8 | -55.5 | -176.4 | 0 | 0 | 0 | 108.2 | V2351 E2355 Y2360 | V2351-I2353 HydrophobicContact CG1-CD1 4.46Å; V2351-I2353 HydrophobicContact CG1-CG1 3.91Å; I2353-E2355 HydrophobicContact CG2-CG 4.23Å; I2353-E2355 PolarHBondContact O-N 3.11Å; I2353-Y2360 PolarHBondContact O-N 3.22Å |
| 2354 | Q | 27.5 | Very low | 28.3 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 72.1 | -172.7 | -168.1 | 176.4 | 15.6 | 0 | 0 | 110.7 | ||
| 2355 | E | 29.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 157.9 | 170.6 | -70.5 | -160.8 | 137.9 | 0 | 0 | 111.4 | I2353 N2357 K2358 | I2353-E2355 HydrophobicContact CG2-CG 4.23Å; I2353-E2355 PolarHBondContact O-N 3.11Å; E2355-N2357 PolarHBondContact O-N 3.04Å; E2355-K2358 PolarHBondContact N-O 3Å; E2355-K2358 PolarHBondContact O-N 3.05Å |
| 2356 | K | 33.6 | Very low | 29.3 | Very low | 210 Ų | 210 | 116.1 Ų | 116.1 | 91% | 0.913 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 111.6 | -168.9 | -68.2 | 179.3 | 179.1 | 176.6 | 0 | 111.7 | K2358 | K2356-K2358 VanDerWaalsContact C-N 3.32Å; K2356-K2358 PolarHBondContact O-N 2.92Å |
| 2357 | N | 32 | Very low | 29.7 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | 16.5 | 179.7 | -56.9 | -2.2 | 0 | 0 | 0 | 116.6 | E2355 | E2355-N2357 PolarHBondContact O-N 3.04Š|
| 2358 | K | 28.5 | Very low | 29.6 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 31% | 0.309 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -138.9 | 123.2 | 169.6 | -68.8 | -170.5 | 177.6 | -164.6 | 0 | 111.5 | E2355 K2356 Y2360 E2373 T2375 | E2355-K2358 PolarHBondContact N-O 3Å; E2355-K2358 PolarHBondContact O-N 3.05Å; K2356-K2358 VanDerWaalsContact C-N 3.32Å; K2356-K2358 PolarHBondContact O-N 2.92Å; K2358-Y2360 HydrophobicContact CB-CD2 4.48Å; K2358-Y2360 HydrophobicContact CB-CE2 4Å; K2358-Y2360 HydrophobicContact CD-CE1 4.15Å; K2358-Y2360 HydrophobicContact CD-CE2 4.37Å; K2358-Y2360 WeakPolarHBondContact CD-OH 3.39Å; K2358-E2373 WeakPolarHBondContact CE-OE1 3.48Å; K2358-E2373 IonicContact NZ-OE1 2.64Å; K2358-E2373 PolarHBondContact NZ-OE1 3.41Å; K2358-T2375 HydrophobicContact CD-CG2 4.49Å; K2358-T2375 HydrophobicContact CG-CG2 4.34Å |
| 2359 | I | 29.2 | Very low | 29.9 | Very low | 81 Ų | 81 | 116.9 Ų | 116.9 | 42% | 0.415 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 110 | 170.2 | -58.2 | 177.7 | 0 | 0 | 0 | 107.3 | I2352 I2361 | I2352-I2359 HydrophobicContact CG2-CG2 3.81Å; I2359-I2361 HydrophobicContact CG2-CG1 4.1Å |
| 2360 | Y | 29.5 | Very low | 30.1 | Very low | 69 Ų | 69 | 113.3 Ų | 113.3 | 27% | 0.271 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 113.6 | 173.1 | -62.3 | -71.6 | 0 | 0 | 0 | 109.5 | I2353 K2358 I2371 E2373 | I2353-Y2360 PolarHBondContact O-N 3.22Å; K2358-Y2360 HydrophobicContact CB-CD2 4.48Å; K2358-Y2360 HydrophobicContact CB-CE2 4Å; K2358-Y2360 HydrophobicContact CD-CE1 4.15Å; K2358-Y2360 HydrophobicContact CD-CE2 4.37Å; K2358-Y2360 WeakPolarHBondContact CD-OH 3.39Å; Y2360-I2371 HydrophobicContact CD1-CG2 4.22Å; Y2360-E2373 HydrophobicContact CD1-CB 4.36Å; Y2360-E2373 HydrophobicContact CD1-CG 4.35Å; Y2360-E2373 HydrophobicContact CE1-CB 4.45Å; Y2360-E2373 HydrophobicContact CE1-CG 4.05Å |
| 2361 | I | 29.7 | Very low | 30.3 | Very low | 92 Ų | 92 | 114 Ų | 114 | 47% | 0.472 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 98 | 174.8 | -56 | 179.6 | 0 | 0 | 0 | 107.8 | I2359 I2371 W2372 | I2359-I2361 HydrophobicContact CG2-CG1 4.1Å; I2361-I2371 WeakPolarHBondContact O-CA 3.38Å; I2361-W2372 HydrophobicContact CB-CB 4.43Å; I2361-W2372 PolarHBondContact N-O 3.16Å; I2361-W2372 PolarHBondContact O-N 3.09Å |
| 2362 | A | 30.8 | Very low | 30.2 | Very low | 39 Ų | 39 | 118.7 Ų | 118.7 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L2369 I2371 | A2362-L2369 HydrophobicContact CB-CD2 4.21Å; A2362-I2371 HydrophobicContact CB-CG1 4.36Å |
| 2363 | A | 31.3 | Very low | 30.4 | Very low | 50 Ų | 50 | 118 Ų | 118 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L2369 L2370 | A2363-L2369 WeakPolarHBondContact O-CA 3.28Å; A2363-L2370 PolarHBondContact N-O 3.1Å; A2363-L2370 PolarHBondContact O-N 3Å |
| 2364 | A | 32.3 | Very low | 30.3 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2369 | A2364-L2369 HydrophobicContact CB-CD1 4.03Å; A2364-L2369 HydrophobicContact CB-CG 4.47Å |
| 2365 | Y | 30 | Very low | 30.4 | Very low | 197 Ų | 197 | 116.3 Ų | 116.3 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -132.9 | 79.2 | -167.8 | -144.8 | -81.5 | 0 | 0 | 0 | 111.7 | K2367 E2368 | Y2365-K2367 PolarHBondContact O-N 2.92Å; Y2365-E2368 WeakPolarHBondContact CA-O 3.47Å; Y2365-E2368 PolarHBondContact N-O 2.87Å; Y2365-E2368 PolarHBondContact O-N 3.15Å |
| 2366 | G | 42.6 | Very low | 30.3 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 88% | 0.876 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | -33.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 2367 | K | 30.5 | Very low | 29.9 | Very low | 212 Ų | 212 | 118.1 Ų | 118.1 | 92% | 0.922 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.7 | -12.9 | 165.8 | -111.4 | 162.7 | -172.6 | 176.5 | 0 | 114.2 | Y2365 | Y2365-K2367 PolarHBondContact O-N 2.92Š|
| 2368 | E | 26.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 75% | 0.752 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 153.7 | 172.9 | -65 | -175.9 | 164.8 | 0 | 0 | 110.3 | Y2365 | Y2365-E2368 WeakPolarHBondContact CA-O 3.47Å; Y2365-E2368 PolarHBondContact N-O 2.87Å; Y2365-E2368 PolarHBondContact O-N 3.15Å |
| 2369 | L | 29.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.7 | 114 | -172.8 | -172.9 | 147.7 | 0 | 0 | 0 | 109.1 | A2362 A2363 A2364 I2371 | A2362-L2369 HydrophobicContact CB-CD2 4.21Å; A2363-L2369 WeakPolarHBondContact O-CA 3.28Å; A2364-L2369 HydrophobicContact CB-CD1 4.03Å; A2364-L2369 HydrophobicContact CB-CG 4.47Å; L2369-I2371 HydrophobicContact CD2-CD1 3.85Å; L2369-I2371 HydrophobicContact CD2-CG1 3.52Å |
| 2370 | L | 28.1 | Very low | 29.4 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 127.3 | -177.8 | -77.3 | 165.6 | 0 | 0 | 0 | 109.6 | A2363 | A2363-L2370 PolarHBondContact N-O 3.1Å; A2363-L2370 PolarHBondContact O-N 3Å |
| 2371 | I | 32.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.4 | -179.4 | -51.8 | 179.4 | 0 | 0 | 0 | 108.2 | Y2360 I2361 A2362 L2369 | Y2360-I2371 HydrophobicContact CD1-CG2 4.22Å; I2361-I2371 WeakPolarHBondContact O-CA 3.38Å; A2362-I2371 HydrophobicContact CB-CG1 4.36Å; L2369-I2371 HydrophobicContact CD2-CD1 3.85Å; L2369-I2371 HydrophobicContact CD2-CG1 3.52Å |
| 2372 | W | 26.9 | Very low | 28.8 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.9 | 170.2 | -78 | 36.4 | 0 | 0 | 0 | 109.9 | I2361 | I2361-W2372 HydrophobicContact CB-CB 4.43Å; I2361-W2372 PolarHBondContact N-O 3.16Å; I2361-W2372 PolarHBondContact O-N 3.09Å |
| 2373 | E | 29.2 | Very low | 28.4 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 46% | 0.458 | 70% | 0.699 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.4 | 121.1 | -175.6 | 179.8 | -174.5 | 165.4 | 0 | 0 | 109 | K2358 Y2360 T2375 | K2358-E2373 WeakPolarHBondContact CE-OE1 3.48Å; K2358-E2373 IonicContact NZ-OE1 2.64Å; K2358-E2373 PolarHBondContact NZ-OE1 3.41Å; Y2360-E2373 HydrophobicContact CD1-CB 4.36Å; Y2360-E2373 HydrophobicContact CD1-CG 4.35Å; Y2360-E2373 HydrophobicContact CE1-CB 4.45Å; Y2360-E2373 HydrophobicContact CE1-CG 4.05Å; E2373-T2375 HydrophobicContact CG-CG2 4.17Å; E2373-T2375 WeakPolarHBondContact OE1-CG2 3.03Å |
| 2374 | E | 27.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.5 | 165 | -77.7 | -164.6 | 145.8 | 0 | 0 | 110 | ||
| 2375 | T | 28 | Very low | 27.9 | Very low | 78 Ų | 78 | 149 Ų | 149 | 48% | 0.479 | 74% | 0.744 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.7 | -170.5 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | K2358 E2373 | K2358-T2375 HydrophobicContact CD-CG2 4.49Å; K2358-T2375 HydrophobicContact CG-CG2 4.34Å; E2373-T2375 HydrophobicContact CG-CG2 4.17Å; E2373-T2375 WeakPolarHBondContact OE1-CG2 3.03Å |
| 2376 | Y | 27.9 | Very low | 27.8 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 74% | 0.737 | 74% | 0.743 | S | S | * | * | trans | -114.7 | 115.4 | 173.3 | -80.9 | -91.7 | 0 | 0 | 0 | 110.4 | ||||
| 2377 | H | 26.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -80.3 | 128.8 | 174 | -79.5 | -90.7 | 0 | 0 | 0 | 111.2 | ||||
| 2378 | L | 27.1 | Very low | 26.7 | Very low | 159 Ų | 159 | 146.2 Ų | 146.2 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -160.2 | 147.1 | 143.7 | -109.8 | 160 | 0 | 0 | 0 | 109.8 | ||||
| 2379 | E | 25.2 | Very low | 26.8 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | -95.8 | 145.5 | -168.2 | -57.3 | 166.2 | 131 | 0 | 0 | 111.3 | ||||
| 2380 | N | 26.5 | Very low | 26.5 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | 175.2 | 129.2 | 114.6 | -96.1 | -76.3 | 0 | 0 | 0 | 113.8 | |||||
| 2381 | N | 24.4 | Very low | 26.4 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 56.5 | 116.5 | 139.2 | -58.2 | -21.5 | 0 | 0 | 0 | 123.5 | ||||
| 2382 | S | 22.5 | Very low | 26 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | 69.2 | 96.9 | 127.7 | 67.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 2383 | L | 21 | Very low | 25.9 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | 51.8 | 89.8 | 120.2 | -76.5 | 159.5 | 0 | 0 | 0 | 118.3 | |||||
| 2384 | L | 25.6 | Very low | 25.6 | Very low | 248 Ų | 248 | 155 Ų | 155 | 100% | 1.298 | 79% | 0.788 | S | S | * | * | -147.4 | 0 | 113.7 | -103.9 | 160.3 | 0 | 0 | 0 | 109.4 |
Retrieved 2,384 of 2,384 residues in 3134.2 ms
(Link to these results)