| 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 | 48.3 | Very low | 56.8 | Low | 195 Ų | 195 | 94.3 Ų | 94.3 | 96% | 0.961 | 48% | 0.475 | S | S | * | . | 0 | -32.7 | 0 | -72 | -167 | -172.3 | 0 | 0 | 113.4 | F3 N4 S5 | M1-F3 PolarHBondContact O-N 3.33Å; M1-N4 PolarHBondContact O-N 3.45Å; M1-N4 VanDerWaalsContact O-N 3.12Å; M1-S5 PolarHBondContact O-N 3.15Å | |||
| 2 | L | 61.9 | Low | 55.4 | Low | 69 Ų | 69 | 102.1 Ų | 102.1 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -50.7 | -47.9 | -171 | -71.1 | 161.2 | 0 | 0 | 0 | 114.6 | N4 S5 V6 P327 S371 | L2-N4 VanDerWaalsContact C-N 3.31Å; L2-N4 PolarHBondContact O-N 3.29Å; L2-S5 WeakPolarHBondContact O-CA 3.45Å; L2-S5 WeakPolarHBondContact O-CB 3.44Å; L2-S5 PolarHBondContact O-N 3.44Å; L2-V6 WeakPolarHBondContact O-CG2 3.28Å; L2-V6 PolarHBondContact O-N 3.09Å; L2-P327 HydrophobicContact CD1-CB 3.56Å; L2-S371 WeakPolarHBondContact CD1-O 3.31Å |
| 3 | F | 61.8 | Low | 54.5 | Low | 0 Ų | 0 | 100.6 Ų | 100.6 | 0% | 0 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -53.2 | -47 | 178.5 | -170.6 | -75.6 | 0 | 0 | 0 | 112.9 | M1 S5 V6 L7 L25 L28 D328 F331 F373 | M1-F3 PolarHBondContact O-N 3.33Å; F3-S5 PolarHBondContact O-N 3.35Å; F3-V6 PolarHBondContact O-N 3.11Å; F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CD1-CG 4.13Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 HydrophobicContact CE1-CG 3.74Å; F3-L7 PolarHBondContact O-N 3.17Å; F3-L25 HydrophobicContact CD1-CD2 4.16Å; F3-L25 HydrophobicContact CE1-CB 4.44Å; F3-L25 HydrophobicContact CE1-CD2 3.44Å; F3-L25 VanDerWaalsContact CE1-CD2 3.44Å; F3-L25 HydrophobicContact CZ-CB 4.26Å; F3-L25 HydrophobicContact CZ-CD2 4.1Å; F3-L28 HydrophobicContact CE1-CD1 4.08Å; F3-L28 HydrophobicContact CZ-CB 4.48Å; F3-L28 HydrophobicContact CZ-CD1 3.78Å; F3-D328 VanDerWaalsContact CB-OD2 3.22Å; F3-D328 WeakPolarHBondContact CB-OD2 3.49Å; F3-F331 HydrophobicContact CD2-CD2 4.48Å; F3-F331 AromaticContact CD2-CE2 3.75Å; F3-F331 HydrophobicContact CD2-CE2 3.75Å; F3-F331 AromaticContact CE2-CE2 3.67Å; F3-F331 HydrophobicContact CE2-CE2 3.67Å; F3-F331 HydrophobicContact CE2-CZ 4.05Å; F3-F331 HydrophobicContact CZ-CE2 4.41Å; F3-F331 HydrophobicContact CZ-CZ 4.46Å; F3-F373 AromaticContact CD2-CD1 3.71Å; F3-F373 HydrophobicContact CD2-CD1 3.71Å; F3-F373 AromaticContact CD2-CD2 3.88Å; F3-F373 HydrophobicContact CD2-CD2 3.88Å; F3-F373 AromaticContact CD2-CE1 3.4Å; F3-F373 HydrophobicContact CD2-CE1 3.4Å; F3-F373 AromaticContact CD2-CE2 3.57Å; F3-F373 HydrophobicContact CD2-CE2 3.57Å; F3-F373 AromaticContact CD2-CG 3.96Å; F3-F373 HydrophobicContact CD2-CG 3.96Å; F3-F373 AromaticContact CD2-CZ 3.33Å; F3-F373 HydrophobicContact CD2-CZ 3.33Å; F3-F373 HydrophobicContact CE2-CD1 4.09Å; F3-F373 AromaticContact CE2-CE1 3.38Å; F3-F373 HydrophobicContact CE2-CE1 3.38Å; F3-F373 HydrophobicContact CE2-CE2 4.14Å; F3-F373 AromaticContact CE2-CZ 3.42Å; F3-F373 HydrophobicContact CE2-CZ 3.42Å; F3-F373 VanDerWaalsContact CE2-CZ 3.42Å |
| 4 | N | 60.1 | Low | 53.6 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 39% | 0.39 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -22.9 | 179 | -75.1 | -14.6 | 0 | 0 | 0 | 112.6 | M1 L2 R8 | M1-N4 PolarHBondContact O-N 3.45Å; M1-N4 VanDerWaalsContact O-N 3.12Å; L2-N4 VanDerWaalsContact C-N 3.31Å; L2-N4 PolarHBondContact O-N 3.29Å; N4-R8 WeakPolarHBondContact O-CB 3.43Å; N4-R8 VanDerWaalsContact O-CD 3.29Å; N4-R8 WeakPolarHBondContact O-CD 3.32Å; N4-R8 WeakPolarHBondContact O-CG 3.19Å; N4-R8 PolarHBondContact O-N 3.43Å |
| 5 | S | 59.4 | Low | 52.3 | Low | 66 Ų | 66 | 103.2 Ų | 103.2 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.3 | -50.2 | 169 | -164.9 | 0 | 0 | 0 | 0 | 110.6 | M1 L2 F3 L7 R8 Q9 | M1-S5 PolarHBondContact O-N 3.15Å; L2-S5 WeakPolarHBondContact O-CA 3.45Å; L2-S5 WeakPolarHBondContact O-CB 3.44Å; L2-S5 PolarHBondContact O-N 3.44Å; F3-S5 PolarHBondContact O-N 3.35Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.14Å; S5-R8 CarbonylContact O-C 3.6Å; S5-R8 WeakPolarHBondContact O-CA 3.5Å; S5-R8 PolarHBondContact O-N 3.27Å; S5-Q9 PolarHBondContact O-N 3.11Å |
| 6 | V | 63.5 | Low | 51.9 | Low | 15 Ų | 15 | 111.8 Ų | 111.8 | 9% | 0.091 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -61.6 | -36.7 | 177.8 | -153.6 | 0 | 0 | 0 | 0 | 111.1 | L2 F3 R8 Q9 T374 R392 | L2-V6 WeakPolarHBondContact O-CG2 3.28Å; L2-V6 PolarHBondContact O-N 3.09Å; F3-V6 PolarHBondContact O-N 3.11Å; V6-R8 PolarHBondContact O-N 2.86Å; V6-Q9 PolarHBondContact O-N 2.83Å; V6-T374 HydrophobicContact CG1-CG2 3.93Å; V6-R392 VanDerWaalsContact CG1-CZ 3.46Å; V6-R392 PolarHBondContact O-NH1 2.96Å; V6-R392 PolarHBondContact O-NH2 3.36Å |
| 7 | L | 60.6 | Low | 50.9 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 34% | 0.34 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.9 | -28.4 | 171.1 | -103.7 | -178.3 | 0 | 0 | 0 | 114.3 | F3 S5 L25 L28 | F3-L7 HydrophobicContact CD1-CD1 3.92Å; F3-L7 HydrophobicContact CD1-CG 4.13Å; F3-L7 HydrophobicContact CE1-CD1 3.61Å; F3-L7 HydrophobicContact CE1-CG 3.74Å; F3-L7 PolarHBondContact O-N 3.17Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.14Å; L7-L25 HydrophobicContact CD1-CD2 3.73Å; L7-L28 HydrophobicContact CD2-CD1 3.74Å; L7-L28 HydrophobicContact CG-CD1 4.13Å |
| 8 | R | 53.3 | Low | 50.2 | Low | 208 Ų | 208 | 111.1 Ų | 111.1 | 79% | 0.785 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -95.9 | -15.1 | -176.3 | -73.1 | 171.3 | -179.5 | -164.5 | -1 | 113.6 | N4 S5 V6 | N4-R8 WeakPolarHBondContact O-CB 3.43Å; N4-R8 VanDerWaalsContact O-CD 3.29Å; N4-R8 WeakPolarHBondContact O-CD 3.32Å; N4-R8 WeakPolarHBondContact O-CG 3.19Å; N4-R8 PolarHBondContact O-N 3.43Å; S5-R8 CarbonylContact O-C 3.6Å; S5-R8 WeakPolarHBondContact O-CA 3.5Å; S5-R8 PolarHBondContact O-N 3.27Å; V6-R8 PolarHBondContact O-N 2.86Å |
| 9 | Q | 56.4 | Low | 49.3 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -62.6 | 127.6 | 173.3 | -76.7 | 176.1 | -28.6 | 0 | 0 | 110.1 | S5 V6 | S5-Q9 PolarHBondContact O-N 3.11Å; V6-Q9 PolarHBondContact O-N 2.83Å |
| 10 | P | 46.5 | Very low | 48.9 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -68 | 141.6 | 177.5 | 28.6 | -34 | 0 | 0 | 0 | 110.6 | L12 | P10-L12 PolarHBondContact O-N 3.2Š|
| 11 | Q | 53 | Low | 48.6 | Very low | 108 Ų | 108 | 115 Ų | 115 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 126 | 166.3 | -75.6 | 169.7 | -42.9 | 0 | 0 | 108.7 | G13 V14 R392 | Q11-G13 PolarHBondContact O-N 3.29Å; Q11-G13 VanDerWaalsContact O-N 3.13Å; Q11-V14 HydrophobicContact CB-CB 4.21Å; Q11-V14 HydrophobicContact CB-CG2 3.93Å; Q11-V14 PolarHBondContact O-N 3.2Å; Q11-V14 VanDerWaalsContact O-N 3.1Å; Q11-R392 PolarHBondContact NE2-O 2.96Å |
| 12 | L | 39.7 | Very low | 48.4 | Very low | 188 Ų | 188 | 114.5 Ų | 114.5 | 98% | 0.984 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 117.6 | 170.7 | -78.8 | 162.1 | 0 | 0 | 0 | 109 | P10 | P10-L12 PolarHBondContact O-N 3.2Š|
| 13 | G | 44.4 | Very low | 47.9 | Very low | 83 Ų | 83 | 118.1 Ų | 118.1 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.6 | -20 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q11 L15 | Q11-G13 PolarHBondContact O-N 3.29Å; Q11-G13 VanDerWaalsContact O-N 3.13Å; G13-L15 PolarHBondContact O-N 2.74Å |
| 14 | V | 41.5 | Very low | 47.9 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | trans | -97.7 | 98.9 | -178.1 | -174 | 0 | 0 | 0 | 0 | 111.1 | Q11 | Q11-V14 HydrophobicContact CB-CB 4.21Å; Q11-V14 HydrophobicContact CB-CG2 3.93Å; Q11-V14 PolarHBondContact O-N 3.2Å; Q11-V14 VanDerWaalsContact O-N 3.1Å | ||
| 15 | L | 34.9 | Very low | 48.1 | Very low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | trans | -59.7 | 136.9 | 167.1 | -86.2 | 168.6 | 0 | 0 | 0 | 110.5 | G13 N17 | G13-L15 PolarHBondContact O-N 2.74Å; L15-N17 PolarHBondContact O-N 2.94Å | ||
| 16 | R | 44.6 | Very low | 48.5 | Very low | 240 Ų | 240 | 119.2 Ų | 119.2 | 91% | 0.906 | 63% | 0.625 | S | S | * | * | trans | -82 | 58.1 | -164.7 | -158.1 | -174.2 | -168.7 | -156.9 | 4.2 | 113.3 | G18 | R16-G18 VanDerWaalsContact C-N 3.3Å; R16-G18 PolarHBondContact O-N 2.92Å | ||
| 17 | N | 35 | Very low | 49.1 | Very low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | trans | -70.6 | 78.8 | 179.9 | -77.4 | 1.9 | 0 | 0 | 0 | 112.4 | L15 W19 | L15-N17 PolarHBondContact O-N 2.94Å; N17-W19 PolarHBondContact O-N 3.11Å | ||
| 18 | G | 39.7 | Very low | 50.1 | Low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 68.6 | -22 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | R16 S20 | R16-G18 VanDerWaalsContact C-N 3.3Å; R16-G18 PolarHBondContact O-N 2.92Å; G18-S20 PolarHBondContact O-N 3.05Å; G18-S20 VanDerWaalsContact O-N 3.08Å |
| 19 | W | 33 | Very low | 51.8 | Low | 239 Ų | 239 | 109.3 Ų | 109.3 | 91% | 0.905 | 59% | 0.591 | S | S | * | * | trans | -83.8 | 92.6 | -170.1 | -71.6 | 16 | 0 | 0 | 0 | 112.1 | N17 S21 | N17-W19 PolarHBondContact O-N 3.11Å; W19-S21 PolarHBondContact O-N 3.06Å | ||
| 20 | S | 40.4 | Very low | 53.3 | Low | 113 Ų | 113 | 106 Ų | 106 | 79% | 0.79 | 58% | 0.579 | S | S | * | * | trans | -72.4 | 60.6 | 164.8 | 62 | 0 | 0 | 0 | 0 | 111.2 | G18 Q22 | G18-S20 PolarHBondContact O-N 3.05Å; G18-S20 VanDerWaalsContact O-N 3.08Å; S20-Q22 PolarHBondContact O-N 3.02Å | ||
| 21 | S | 42.4 | Very low | 55.3 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | trans | -63.9 | 105.3 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | W19 Y23 | W19-S21 PolarHBondContact O-N 3.06Å; S21-Y23 PolarHBondContact O-N 2.69Å; S21-Y23 WeakPolarHBondContact OG-CE2 3.18Å | ||
| 22 | Q | 43.8 | Very low | 57.3 | Low | 183 Ų | 183 | 96 Ų | 96 | 86% | 0.855 | 53% | 0.526 | S | S | * | . | trans | -73.8 | 72.6 | 168.4 | -68.2 | -172.3 | 2.6 | 0 | 0 | 109.1 | S20 P24 | S20-Q22 PolarHBondContact O-N 3.02Å; Q22-P24 WeakPolarHBondContact O-CD 3.3Å; Q22-P24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | Y | 51.3 | Low | 59.9 | Low | 145 Ų | 145 | 89.9 Ų | 89.9 | 57% | 0.569 | 49% | 0.493 | S | S | * | . | trans | -51.9 | 121.8 | 166.7 | -72.6 | -77.3 | 0 | 0 | 0 | 108.4 | S21 L25 | S21-Y23 PolarHBondContact O-N 2.69Å; S21-Y23 WeakPolarHBondContact OG-CE2 3.18Å; Y23-L25 PolarHBondContact O-N 3.29Å | ||
| 24 | P | 62.4 | Low | 62.2 | Low | 86 Ų | 86 | 86 Ų | 86 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | trans | -54.9 | 133.5 | -179.7 | -27.3 | 35.3 | 0 | 0 | 0 | 110.1 | Q22 Q26 S27 | Q22-P24 WeakPolarHBondContact O-CD 3.3Å; Q22-P24 VanDerWaalsContact O-N 3.16Å; P24-Q26 PolarHBondContact O-N 3.29Å; P24-S27 PolarHBondContact O-N 2.99Å; P24-S27 PolarHBondContact O-OG 2.79Å | ||
| 25 | L | 63.9 | Low | 64.6 | Low | 49 Ų | 49 | 83.4 Ų | 83.4 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -49.9 | -34.8 | -177.5 | -53.8 | 170.2 | 0 | 0 | 0 | 112.2 | F3 L7 Y23 L28 F331 | F3-L25 HydrophobicContact CD1-CD2 4.16Å; F3-L25 HydrophobicContact CE1-CB 4.44Å; F3-L25 HydrophobicContact CE1-CD2 3.44Å; F3-L25 VanDerWaalsContact CE1-CD2 3.44Å; F3-L25 HydrophobicContact CZ-CB 4.26Å; F3-L25 HydrophobicContact CZ-CD2 4.1Å; L7-L25 HydrophobicContact CD1-CD2 3.73Å; Y23-L25 PolarHBondContact O-N 3.29Å; L25-L28 PolarHBondContact O-N 3.21Å; L25-F331 HydrophobicContact CB-CZ 4.25Å |
| 26 | Q | 68.7 | Low | 67.1 | Low | 28 Ų | 28 | 77.9 Ų | 77.9 | 13% | 0.131 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 177.5 | -165.2 | 69.4 | 8.5 | 0 | 0 | 114.1 | P24 L28 L29 P352 T354 Q411 | P24-Q26 PolarHBondContact O-N 3.29Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.82Å; Q26-L29 WeakPolarHBondContact O-CB 3.45Å; Q26-L29 PolarHBondContact O-N 3.46Å; Q26-P352 PolarHBondContact NE2-O 2.87Å; Q26-T354 PolarHBondContact NE2-OG1 2.55Å; Q26-Q411 PolarHBondContact O-NE2 3.35Å |
| 27 | S | 75.3 | Confident | 69.1 | Low | 52 Ų | 52 | 70.3 Ų | 70.3 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78 | -15.3 | 179 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | P24 T30 | P24-S27 PolarHBondContact O-N 2.99Å; P24-S27 PolarHBondContact O-OG 2.79Å; S27-T30 PolarHBondContact O-OG1 3.49Å |
| 28 | L | 82.8 | Confident | 71.8 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -72.2 | -34.3 | 167.2 | -72.6 | 173.7 | 0 | 0 | 0 | 111.3 | F3 L7 L25 Q26 T30 G31 L390 | F3-L28 HydrophobicContact CE1-CD1 4.08Å; F3-L28 HydrophobicContact CZ-CB 4.48Å; F3-L28 HydrophobicContact CZ-CD1 3.78Å; L7-L28 HydrophobicContact CD2-CD1 3.74Å; L7-L28 HydrophobicContact CG-CD1 4.13Å; L25-L28 PolarHBondContact O-N 3.21Å; Q26-L28 VanDerWaalsContact C-N 3.31Å; Q26-L28 PolarHBondContact O-N 2.82Å; L28-T30 PolarHBondContact O-N 3.45Å; L28-G31 WeakPolarHBondContact O-CA 3.43Å; L28-G31 PolarHBondContact O-N 2.87Å; L28-L390 WeakPolarHBondContact O-CD1 3.38Å |
| 29 | L | 88.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -29.8 | 179.9 | -57.6 | -178.9 | 0 | 0 | 0 | 112.6 | Q26 G31 Y32 F331 I343 T354 F373 A409 | Q26-L29 WeakPolarHBondContact O-CB 3.45Å; Q26-L29 PolarHBondContact O-N 3.46Å; L29-G31 PolarHBondContact O-N 2.66Å; L29-Y32 HydrophobicContact CD2-CE2 3.98Å; L29-Y32 VanDerWaalsContact O-CD2 3.31Å; L29-Y32 WeakPolarHBondContact O-CD2 3.24Å; L29-Y32 PolarHBondContact O-N 3.21Å; L29-F331 HydrophobicContact CD1-CD1 3.87Å; L29-F331 HydrophobicContact CD1-CE1 3.74Å; L29-F331 HydrophobicContact CD2-CD1 4.37Å; L29-F331 HydrophobicContact CD2-CE1 4.28Å; L29-F331 HydrophobicContact CG-CE1 4.32Å; L29-I343 HydrophobicContact CD1-CB 4.39Å; L29-I343 HydrophobicContact CD1-CG2 3.88Å; L29-I343 HydrophobicContact CD2-CG2 4.39Å; L29-T354 HydrophobicContact CB-CG2 3.87Å; L29-T354 VanDerWaalsContact CB-OG1 3.31Å; L29-T354 WeakPolarHBondContact CB-OG1 3.48Å; L29-T354 VanDerWaalsContact CD1-OG1 3.31Å; L29-T354 WeakPolarHBondContact CD1-OG1 3.4Å; L29-F373 HydrophobicContact CD2-CE1 4.48Å; L29-F373 HydrophobicContact CD2-CZ 4.07Å; L29-A409 WeakPolarHBondContact O-CB 3.42Å |
| 30 | T | 88.3 | Confident | 77.2 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.7 | 171.4 | 31.1 | 0 | 0 | 0 | 0 | 114.6 | S27 L28 T354 Q411 | S27-T30 PolarHBondContact O-OG1 3.49Å; L28-T30 PolarHBondContact O-N 3.45Å; T30-T354 HydrophobicContact CG2-CG2 4.29Å; T30-Q411 HydrophobicContact CG2-CG 3.94Å |
| 31 | G | 88.5 | Confident | 79.9 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L28 L29 Q33 N391 | L28-G31 WeakPolarHBondContact O-CA 3.43Å; L28-G31 PolarHBondContact O-N 2.87Å; L29-G31 PolarHBondContact O-N 2.66Å; G31-Q33 PolarHBondContact O-N 3.21Å; G31-N391 WeakPolarHBondContact O-CB 3.16Å; G31-N391 PolarHBondContact O-N 3.19Å |
| 32 | Y | 93.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 126.2 | 173.8 | -80.5 | -66.9 | 0 | 0 | 0 | 111.4 | L29 I343 L356 W368 F373 I376 W388 R389 L390 W408 A409 | L29-Y32 HydrophobicContact CD2-CE2 3.98Å; L29-Y32 VanDerWaalsContact O-CD2 3.31Å; L29-Y32 WeakPolarHBondContact O-CD2 3.24Å; L29-Y32 PolarHBondContact O-N 3.21Å; Y32-I343 HydrophobicContact CD2-CD1 3.96Å; Y32-I343 HydrophobicContact CE2-CD1 3.98Å; Y32-L356 HydrophobicContact CG-CD2 4.41Å; Y32-W368 HydrophobicContact CE2-CZ2 4.47Å; Y32-W368 WeakPolarHBondContact OH-CZ2 3.43Å; Y32-F373 VanDerWaalsContact OH-CE1 3.26Å; Y32-F373 WeakPolarHBondContact OH-CE1 3.4Å; Y32-F373 PolarHBondContact OH-O 2.8Å; Y32-I376 HydrophobicContact CD1-CD1 4.42Å; Y32-I376 HydrophobicContact CD2-CD1 4.37Å; Y32-I376 HydrophobicContact CE1-CD1 3.94Å; Y32-I376 HydrophobicContact CE1-CG1 4.1Å; Y32-I376 HydrophobicContact CE2-CD1 3.89Å; Y32-W388 HydrophobicContact CD1-CB 4.03Å; Y32-R389 WeakPolarHBondContact CA-O 3.2Å; Y32-L390 HydrophobicContact CD1-CB 4.11Å; Y32-L390 HydrophobicContact CD1-CD1 4.33Å; Y32-L390 HydrophobicContact CD2-CD1 4.07Å; Y32-L390 HydrophobicContact CE1-CB 3.72Å; Y32-L390 HydrophobicContact CE1-CD1 4.18Å; Y32-L390 HydrophobicContact CE2-CD1 3.91Å; Y32-L390 HydrophobicContact CG-CD1 4.24Å; Y32-W408 CarbonylContact O-C 3.56Å; Y32-A409 WeakPolarHBondContact O-CB 3.42Å; Y32-A409 PolarHBondContact O-N 3.44Å |
| 33 | Q | 94.4 | Very high | 84.8 | Confident | 61 Ų | 61 | 43.7 Ų | 43.7 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 146 | 179.3 | -68.6 | 171.2 | -11 | 0 | 0 | 109.4 | G31 W388 R389 N391 M405 | G31-Q33 PolarHBondContact O-N 3.21Å; Q33-W388 WeakPolarHBondContact O-CA 3.26Å; Q33-R389 PolarHBondContact N-O 2.85Å; Q33-R389 PolarHBondContact O-N 2.74Å; Q33-N391 PolarHBondContact OE1-ND2 2.75Å; Q33-M405 HydrophobicContact CG-CE 4.23Å; Q33-M405 HydrophobicContact CG-SD 4.21Å |
| 34 | C | 93.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.9 | 167.8 | -169.7 | 0 | 0 | 0 | 0 | 108.6 | W388 V406 G407 | C34-W388 HydrophobicContact CB-CD2 4.27Å; C34-W388 HydrophobicContact CB-CE3 4.16Å; C34-W388 HydrophobicContact CB-CZ3 4.41Å; C34-V406 HydrophobicContact CB-CG2 4.11Å; C34-V406 PolarHBondContact O-N 3.3Å; C34-G407 PolarHBondContact N-O 3.04Å; C34-G407 PolarHBondContact O-N 3.18Å |
| 35 | S | 91.2 | Very high | 88.1 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 154.8 | 172.2 | 74 | 0 | 0 | 0 | 0 | 110.1 | N37 D38 E39 S404 V406 | S35-N37 PolarHBondContact O-N 3.11Å; S35-N37 VanDerWaalsContact O-N 3.1Å; S35-N37 PolarHBondContact OG-N 2.89Å; S35-D38 CarbonylContact O-C 3.52Å; S35-D38 WeakPolarHBondContact O-CA 3.45Å; S35-D38 PolarHBondContact O-N 3.41Å; S35-D38 PolarHBondContact OG-N 2.79Å; S35-D38 PolarHBondContact OG-OD2 3.25Å; S35-E39 PolarHBondContact O-N 3.03Å; S35-S404 CarbonylContact C-O 3.5Å; S35-V406 WeakPolarHBondContact O-CG2 3.49Å |
| 36 | G | 87.9 | Confident | 89.4 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58.9 | -23.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D38 S404 | G36-D38 VanDerWaalsContact C-N 3.28Å; G36-D38 PolarHBondContact O-N 2.78Å; G36-S404 PolarHBondContact N-O 3.04Å |
| 37 | N | 86.8 | Confident | 90.3 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -71.4 | -21.2 | 171.3 | -71.3 | -61.2 | 0 | 0 | 0 | 113.4 | S35 H40 K89 | S35-N37 PolarHBondContact O-N 3.11Å; S35-N37 VanDerWaalsContact O-N 3.1Å; S35-N37 PolarHBondContact OG-N 2.89Å; N37-H40 PolarHBondContact O-CE1 2.64Å; N37-H40 VanDerWaalsContact O-CE1 3.25Å; N37-K89 WeakPolarHBondContact O-CD 3.27Å; N37-K89 PolarHBondContact O-NZ 2.94Å |
| 38 | D | 91.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -103.4 | 4.9 | 180 | -73.6 | -49.2 | 0 | 0 | 0 | 112.9 | S35 G36 K89 I387 R389 | S35-D38 CarbonylContact O-C 3.52Å; S35-D38 WeakPolarHBondContact O-CA 3.45Å; S35-D38 PolarHBondContact O-N 3.41Å; S35-D38 PolarHBondContact OG-N 2.79Å; S35-D38 PolarHBondContact OG-OD2 3.25Å; G36-D38 VanDerWaalsContact C-N 3.28Å; G36-D38 PolarHBondContact O-N 2.78Å; D38-K89 IonicContact OD1-NZ 3.11Å; D38-K89 PolarHBondContact OD1-NZ 3.35Å; D38-I387 HydrophobicContact CB-CB 4.1Å; D38-I387 WeakPolarHBondContact CB-O 3.24Å; D38-I387 PolarHBondContact O-N 3.45Å; D38-R389 IonicContact OD1-CZ 2.66Å; D38-R389 IonicContact OD1-NE 2.69Å; D38-R389 PolarHBondContact OD1-NE 2.64Å; D38-R389 IonicContact OD1-NH2 3.99Å; D38-R389 PolarHBondContact OD1-NH2 3.07Å; D38-R389 IonicContact OD2-CZ 2.72Å; D38-R389 IonicContact OD2-NE 3.42Å; D38-R389 PolarHBondContact OD2-NE 3.36Å; D38-R389 IonicContact OD2-NH2 2.66Å |
| 39 | E | 93.8 | Very high | 91.8 | Very high | 53 Ų | 53 | 46 Ų | 46 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.3 | 167.5 | 173.6 | 164.1 | -157.4 | 0 | 0 | 110.7 | S35 T384 L385 K386 V406 | S35-E39 PolarHBondContact O-N 3.03Å; E39-T384 HydrophobicContact CG-CG2 4.44Å; E39-T384 WeakPolarHBondContact OE1-CG2 3.32Å; E39-L385 CarbonylContact C-O 3.55Å; E39-L385 WeakPolarHBondContact CA-O 3.43Å; E39-K386 HydrophobicContact CB-CG 4.26Å; E39-K386 HydrophobicContact CG-CG 4.22Å; E39-K386 WeakPolarHBondContact OE1-CE 3.21Å; E39-K386 IonicContact OE1-NZ 3.41Å; E39-K386 PolarHBondContact OE1-NZ 3.38Å; E39-K386 IonicContact OE2-NZ 4Å; E39-K386 PolarHBondContact OE2-NZ 2.92Å; E39-V406 HydrophobicContact CB-CG2 3.87Å; E39-V406 WeakPolarHBondContact OE2-CB 3.42Å; E39-V406 WeakPolarHBondContact OE2-CG1 3.39Å; E39-V406 WeakPolarHBondContact OE2-CG2 3.24Å |
| 40 | H | 94.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 109.8 | -171.6 | -64.9 | -24.7 | 0 | 0 | 0 | 110.5 | N37 Y79 L385 | N37-H40 PolarHBondContact O-CE1 2.64Å; N37-H40 VanDerWaalsContact O-CE1 3.25Å; H40-Y79 HydrophobicContact CB-CE1 3.81Å; H40-Y79 AromaticContact CD2-CD1 3.25Å; H40-Y79 WeakPolarHBondContact CD2-CD1 3.18Å; H40-Y79 AromaticContact CD2-CE1 3.29Å; H40-Y79 WeakPolarHBondContact CD2-CE1 3.37Å; H40-Y79 AromaticContact CG-CE1 3.65Å; H40-Y79 AromaticContact NE2-CD1 3.78Å; H40-L385 HydrophobicContact CB-CB 4.25Å; H40-L385 HydrophobicContact CB-CD2 4.16Å; H40-L385 HydrophobicContact CB-CG 4.46Å; H40-L385 PolarHBondContact N-O 3.28Å; H40-L385 PolarHBondContact O-N 3.16Å |
| 41 | T | 95.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 45 Ų | 45 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.7 | 171.6 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | Y43 P49 | T41-Y43 HydrophobicContact CG2-CE1 3.93Å; T41-Y43 HydrophobicContact CG2-CE2 3.94Å; T41-Y43 WeakPolarHBondContact O-CD2 3.41Å; T41-Y43 WeakPolarHBondContact O-CE2 3.35Å; T41-P49 HydrophobicContact CG2-CB 3.82Å; T41-P49 HydrophobicContact CG2-CG 4.11Å |
| 42 | S | 95.9 | Very high | 93 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -89.2 | 133.4 | 172.9 | 153.4 | 0 | 0 | 0 | 0 | 109.8 | P49 V50 N71 N383 | S42-P49 CarbonylContact O-C 3.59Å; S42-P49 VanDerWaalsContact O-CA 3.3Å; S42-P49 WeakPolarHBondContact O-CA 3.5Å; S42-V50 WeakPolarHBondContact CB-O 3.28Å; S42-V50 PolarHBondContact O-N 3.18Å; S42-V50 PolarHBondContact OG-O 3.44Å; S42-N71 WeakPolarHBondContact OG-CB 3.34Å; S42-N71 PolarHBondContact OG-ND2 3.33Å; S42-N383 PolarHBondContact N-O 2.84Å | ||
| 43 | Y | 94.8 | Very high | 93.1 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -119.4 | 147.8 | -176.2 | -65.8 | -79.3 | 0 | 0 | 0 | 113.1 | T41 G47 V48 P49 N71 R77 | T41-Y43 HydrophobicContact CG2-CE1 3.93Å; T41-Y43 HydrophobicContact CG2-CE2 3.94Å; T41-Y43 WeakPolarHBondContact O-CD2 3.41Å; T41-Y43 WeakPolarHBondContact O-CE2 3.35Å; Y43-G47 VanDerWaalsContact CD1-O 3.24Å; Y43-G47 WeakPolarHBondContact CD1-O 3.14Å; Y43-V48 WeakPolarHBondContact CA-O 3.48Å; Y43-P49 HydrophobicContact CD1-CG 4.36Å; Y43-P49 HydrophobicContact CE1-CG 3.95Å; Y43-N71 PolarHBondContact O-ND2 3.14Å; Y43-N71 VanDerWaalsContact O-ND2 3.1Å; Y43-R77 PolarHBondContact O-NH1 3.42Å; Y43-R77 PolarHBondContact O-NH2 2.92Å |
| 44 | G | 91.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | trans | -84.3 | -170 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | T46 G47 V48 E73 | G44-T46 PolarHBondContact O-N 2.83Å; G44-G47 PolarHBondContact O-N 3.02Å; G44-V48 PolarHBondContact N-O 2.99Å; G44-E73 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 45 | E | 90.8 | Very high | 93.3 | Very high | 138 Ų | 138 | 42 Ų | 42 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -30.3 | 175.1 | -173.8 | 171.7 | -162.5 | 0 | 0 | 111.6 | G47 E73 F75 M95 | E45-G47 VanDerWaalsContact C-N 3.31Å; E45-G47 PolarHBondContact O-N 3.27Å; E45-E73 PolarHBondContact N-OE2 3.16Å; E45-E73 VanDerWaalsContact N-OE2 3.07Å; E45-F75 HydrophobicContact CB-CE2 3.9Å; E45-F75 HydrophobicContact CB-CZ 3.98Å; E45-F75 VanDerWaalsContact N-CE2 3.33Å; E45-M95 HydrophobicContact CB-CE 3.96Å; E45-M95 HydrophobicContact CG-CE 4.26Å; E45-M95 WeakPolarHBondContact OE2-CE 3.49Å |
| 46 | T | 90.1 | Very high | 93.6 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.2 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | G44 V48 | G44-T46 PolarHBondContact O-N 2.83Å; T46-V48 PolarHBondContact O-N 2.76Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.32Å |
| 47 | G | 88.9 | Confident | 94.1 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 52% | 0.515 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 70.3 | 3.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y43 G44 E45 | Y43-G47 VanDerWaalsContact CD1-O 3.24Å; Y43-G47 WeakPolarHBondContact CD1-O 3.14Å; G44-G47 PolarHBondContact O-N 3.02Å; E45-G47 VanDerWaalsContact C-N 3.31Å; E45-G47 PolarHBondContact O-N 3.27Å |
| 48 | V | 93.2 | Very high | 94.5 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | trans | -77.4 | 141.4 | 173.4 | -176 | 0 | 0 | 0 | 0 | 109.5 | Y43 G44 T46 | Y43-V48 WeakPolarHBondContact CA-O 3.48Å; G44-V48 PolarHBondContact N-O 2.99Å; T46-V48 PolarHBondContact O-N 2.76Å; T46-V48 WeakPolarHBondContact OG1-CG2 3.32Å | ||
| 49 | P | 96.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 38% | 0.377 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -59.1 | 139 | 170.8 | -23.9 | 34.3 | 0 | 0 | 0 | 112.2 | T41 S42 Y43 N383 | T41-P49 HydrophobicContact CG2-CB 3.82Å; T41-P49 HydrophobicContact CG2-CG 4.11Å; S42-P49 CarbonylContact O-C 3.59Å; S42-P49 VanDerWaalsContact O-CA 3.3Å; S42-P49 WeakPolarHBondContact O-CA 3.5Å; Y43-P49 HydrophobicContact CD1-CG 4.36Å; Y43-P49 HydrophobicContact CE1-CG 3.95Å; P49-N383 HydrophobicContact CB-CB 3.79Å; P49-N383 PolarHBondContact O-OD1 2.91Å |
| 50 | V | 96.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -144.3 | 147.9 | -179.9 | -63 | 0 | 0 | 0 | 0 | 112.7 | S42 P52 N71 E73 N383 | S42-V50 WeakPolarHBondContact CB-O 3.28Å; S42-V50 PolarHBondContact O-N 3.18Å; S42-V50 PolarHBondContact OG-O 3.44Å; V50-P52 WeakPolarHBondContact O-CD 3.24Å; V50-N71 HydrophobicContact CG2-CB 4.14Å; V50-N71 VanDerWaalsContact CG2-ND2 3.27Å; V50-N71 WeakPolarHBondContact CG2-ND2 3.28Å; V50-E73 HydrophobicContact CB-CG 4.01Å; V50-E73 HydrophobicContact CG1-CG 3.62Å; V50-E73 HydrophobicContact CG2-CB 4.37Å; V50-E73 HydrophobicContact CG2-CG 3.75Å; V50-N383 WeakPolarHBondContact CA-OD1 3.26Å; V50-N383 PolarHBondContact N-OD1 3.07Å | ||
| 51 | P | 96.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 39 Ų | 39 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -60.7 | 124.8 | -175.6 | -30.3 | 39.5 | 0 | 0 | 0 | 114.6 | F53 N71 E72 N383 | P51-F53 HydrophobicContact CB-CD1 3.96Å; P51-F53 HydrophobicContact CB-CE1 3.49Å; P51-F53 VanDerWaalsContact CB-CE1 3.49Å; P51-F53 HydrophobicContact CB-CZ 4.17Å; P51-F53 HydrophobicContact CG-CE1 4.36Å; P51-N71 CarbonylContact O-C 3.6Å; P51-N71 VanDerWaalsContact O-CA 3.23Å; P51-N71 WeakPolarHBondContact O-CA 3.37Å; P51-N71 VanDerWaalsContact O-CB 3.23Å; P51-N71 WeakPolarHBondContact O-CB 3.24Å; P51-E72 PolarHBondContact O-N 3.19Å; P51-N383 WeakPolarHBondContact CD-OD1 3.25Å | ||
| 52 | P | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.6 | 160.7 | 28.2 | -27.9 | 0 | 0 | 0 | 110.4 | V50 V69 A70 T364 C379 S380 T384 | V50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-V69 HydrophobicContact CB-CG1 3.68Å; P52-A70 CarbonylContact C-O 3.48Å; P52-A70 WeakPolarHBondContact CA-O 3.4Å; P52-T364 PolarHBondContact O-OG1 3.11Å; P52-C379 HydrophobicContact CB-CB 3.95Å; P52-C379 HydrophobicContact CG-CB 3.81Å; P52-S380 WeakPolarHBondContact CD-O 3.37Å; P52-T384 WeakPolarHBondContact CG-O 3.49Å |
| 53 | F | 95.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -11.1 | -175.9 | -70.2 | -25.7 | 0 | 0 | 0 | 114.2 | P51 A70 E72 A100 F102 R553 | P51-F53 HydrophobicContact CB-CD1 3.96Å; P51-F53 HydrophobicContact CB-CE1 3.49Å; P51-F53 VanDerWaalsContact CB-CE1 3.49Å; P51-F53 HydrophobicContact CB-CZ 4.17Å; P51-F53 HydrophobicContact CG-CE1 4.36Å; F53-A70 PolarHBondContact N-O 3.01Å; F53-E72 HydrophobicContact CD2-CB 4.22Å; F53-E72 HydrophobicContact CE2-CB 3.5Å; F53-E72 HydrophobicContact CE2-CG 3.7Å; F53-E72 HydrophobicContact CZ-CB 3.69Å; F53-E72 HydrophobicContact CZ-CG 3.88Å; F53-A100 HydrophobicContact CD2-CB 4.06Å; F53-A100 HydrophobicContact CE2-CB 3.87Å; F53-F102 AromaticContact CD2-CD1 3.92Å; F53-F102 HydrophobicContact CD2-CD1 3.92Å; F53-F102 AromaticContact CD2-CE1 3.92Å; F53-F102 HydrophobicContact CD2-CE1 3.92Å; F53-F102 HydrophobicContact CE2-CD1 4.38Å; F53-F102 AromaticContact CE2-CE1 3.9Å; F53-F102 HydrophobicContact CE2-CE1 3.9Å; F53-R553 HydrophobicContact CZ-CB 4.25Å |
| 54 | G | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 133.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V69 A70 | G54-V69 CarbonylContact O-C 3.5Å; G54-V69 VanDerWaalsContact O-CA 3.27Å; G54-V69 WeakPolarHBondContact O-CA 3.34Å; G54-A70 PolarHBondContact N-O 2.94Å; G54-A70 PolarHBondContact O-N 2.85Å |
| 55 | C | 97.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.6 | 173.4 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | L67 A68 V69 S365 C367 | C55-L67 HydrophobicContact CB-CD1 4.21Å; C55-A68 CarbonylContact C-O 3.54Å; C55-A68 VanDerWaalsContact CA-O 3.26Å; C55-A68 WeakPolarHBondContact CA-O 3.26Å; C55-V69 HydrophobicContact CB-CG2 3.89Å; C55-S365 PolarHBondContact N-OG 2.92Å; C55-S365 PolarHBondContact SG-OG 2.88Å; C55-C367 WeakPolarHBondContact O-CB 3.36Å |
| 56 | T | 97.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 129.8 | 179.7 | -177 | 0 | 0 | 0 | 0 | 112.1 | A68 L104 W106 | T56-A68 HydrophobicContact CG2-CB 4.37Å; T56-A68 PolarHBondContact N-O 2.84Å; T56-A68 PolarHBondContact O-N 3.13Å; T56-L104 HydrophobicContact CG2-CB 3.43Å; T56-L104 VanDerWaalsContact CG2-CB 3.43Å; T56-L104 HydrophobicContact CG2-CD1 4.11Å; T56-L104 HydrophobicContact CG2-CG 4.44Å; T56-W106 PolarHBondContact O-NE1 3.41Å |
| 57 | F | 97.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 144.2 | 175.8 | -79.3 | -81.9 | 0 | 0 | 0 | 111.3 | E64 L67 T81 W106 C367 C369 P370 K375 A377 | F57-E64 WeakPolarHBondContact CD1-O 3.49Å; F57-L67 HydrophobicContact CD1-CB 4.04Å; F57-L67 HydrophobicContact CD1-CD1 4.13Å; F57-L67 HydrophobicContact CD2-CD1 3.78Å; F57-L67 HydrophobicContact CE1-CB 3.89Å; F57-L67 HydrophobicContact CE1-CD1 4.2Å; F57-L67 HydrophobicContact CE2-CD1 3.84Å; F57-L67 HydrophobicContact CG-CD1 3.93Å; F57-L67 HydrophobicContact CZ-CB 4.37Å; F57-L67 HydrophobicContact CZ-CD1 4.05Å; F57-T81 HydrophobicContact CE1-CG2 3.74Å; F57-T81 HydrophobicContact CZ-CG2 4.18Å; F57-W106 VanDerWaalsContact C-NE1 3.35Å; F57-W106 PolarHBondContact O-NE1 3.2Å; F57-C367 HydrophobicContact CD2-CB 4.28Å; F57-C369 HydrophobicContact CD1-CB 4.13Å; F57-C369 VanDerWaalsContact CD2-CA 3.46Å; F57-C369 HydrophobicContact CD2-CB 3.93Å; F57-C369 HydrophobicContact CE1-CB 3.99Å; F57-C369 HydrophobicContact CE2-CB 3.8Å; F57-C369 HydrophobicContact CG-CB 4.1Å; F57-C369 HydrophobicContact CZ-CB 3.84Å; F57-P370 VanDerWaalsContact CB-CD 3.4Å; F57-P370 HydrophobicContact CB-CG 4.27Å; F57-K375 HydrophobicContact CZ-CB 4.43Å; F57-A377 HydrophobicContact CE2-CB 3.89Å; F57-A377 HydrophobicContact CZ-CB 4.26Å |
| 58 | S | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -59.8 | 141.1 | 175 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | A60 M63 E64 V66 | S58-A60 WeakPolarHBondContact OG-CB 3.49Å; S58-A60 PolarHBondContact OG-N 2.78Å; S58-M63 WeakPolarHBondContact CB-O 3.14Å; S58-M63 PolarHBondContact OG-O 3.02Å; S58-E64 WeakPolarHBondContact O-CA 3.29Å; S58-V66 WeakPolarHBondContact CB-O 3.1Å; S58-V66 PolarHBondContact N-O 2.85Å | ||
| 59 | S | 92.4 | Very high | 95.1 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 34% | 0.336 | 16% | 0.159 | S | C | . | . | trans | -99.8 | 5.5 | 168.5 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | V107 P108 G109 | S59-V107 PolarHBondContact OG-O 3.19Å; S59-P108 WeakPolarHBondContact OG-CA 3.33Å; S59-G109 VanDerWaalsContact O-CA 3.29Å; S59-G109 WeakPolarHBondContact O-CA 3.45Å; S59-G109 PolarHBondContact O-N 2.85Å; S59-G109 PolarHBondContact OG-N 2.92Å; S59-G109 VanDerWaalsContact OG-N 3.09Å | ||
| 60 | A | 93.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -77.9 | 128.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S58 M63 E64 L111 | S58-A60 WeakPolarHBondContact OG-CB 3.49Å; S58-A60 PolarHBondContact OG-N 2.78Å; A60-M63 HydrophobicContact CB-CB 4.27Å; A60-M63 CarbonylContact O-C 3.57Å; A60-M63 PolarHBondContact O-N 3.21Å; A60-E64 WeakPolarHBondContact O-CG 3.44Å; A60-E64 PolarHBondContact O-N 2.93Å; A60-L111 HydrophobicContact CB-CB 4.21Å; A60-L111 HydrophobicContact CB-CD1 4.12Å |
| 61 | P | 91.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 24.4 Ų | 24.4 | 57% | 0.565 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 141.9 | 179.8 | -28.7 | 35.1 | 0 | 0 | 0 | 113 | M63 | P61-M63 PolarHBondContact O-N 2.92Š|
| 62 | N | 88.8 | Confident | 95.2 | Very high | 148 Ų | 148 | 24.9 Ų | 24.9 | 79% | 0.791 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 3.9 | -176 | -49.9 | -28.2 | 0 | 0 | 0 | 115.4 | ||
| 63 | M | 92.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 25.8 Ų | 25.8 | 30% | 0.296 | 14% | 0.143 | S | C | . | . | trans | -127.8 | 14.3 | 179.9 | -65.7 | -67.8 | -76.6 | 0 | 0 | 111.9 | S58 A60 P61 H65 V66 L111 | S58-M63 WeakPolarHBondContact CB-O 3.14Å; S58-M63 PolarHBondContact OG-O 3.02Å; A60-M63 HydrophobicContact CB-CB 4.27Å; A60-M63 CarbonylContact O-C 3.57Å; A60-M63 PolarHBondContact O-N 3.21Å; P61-M63 PolarHBondContact O-N 2.92Å; M63-H65 PolarHBondContact O-N 3.19Å; M63-V66 HydrophobicContact CB-CG2 4.43Å; M63-V66 HydrophobicContact CE-CG2 3.84Å; M63-V66 VanDerWaalsContact O-CB 3.27Å; M63-V66 WeakPolarHBondContact O-CB 3.4Å; M63-V66 WeakPolarHBondContact O-CG2 3.49Å; M63-V66 PolarHBondContact O-N 2.94Å; M63-L111 HydrophobicContact CB-CD1 3.93Å; M63-L111 HydrophobicContact CE-CD1 4.15Å; M63-L111 HydrophobicContact CE-CD2 3.8Å; M63-L111 HydrophobicContact CG-CD1 4.27Å | ||
| 64 | E | 93.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 25.6 Ų | 25.6 | 31% | 0.308 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.1 | -173.7 | -56.7 | 169.9 | 136.2 | 0 | 0 | 112.6 | F57 S58 A60 V66 S371 | F57-E64 WeakPolarHBondContact CD1-O 3.49Å; S58-E64 WeakPolarHBondContact O-CA 3.29Å; A60-E64 WeakPolarHBondContact O-CG 3.44Å; A60-E64 PolarHBondContact O-N 2.93Å; E64-V66 PolarHBondContact O-N 3.44Å; E64-S371 WeakPolarHBondContact CB-OG 3.44Å; E64-S371 VanDerWaalsContact CD-CB 3.49Å; E64-S371 WeakPolarHBondContact OE2-CB 3.46Å; E64-S371 PolarHBondContact OE2-OG 3.3Å |
| 65 | H | 91.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.8 | 170.9 | 61.7 | -113.6 | 0 | 0 | 0 | 114.2 | M63 L67 N80 T81 E82 | M63-H65 PolarHBondContact O-N 3.19Å; H65-L67 PolarHBondContact O-N 2.88Å; H65-N80 PolarHBondContact NE2-ND2 3.08Å; H65-T81 WeakPolarHBondContact O-CB 3.39Å; H65-T81 WeakPolarHBondContact O-CG2 3.33Å; H65-T81 PolarHBondContact O-N 2.76Å; H65-T81 VanDerWaalsContact O-N 3.09Å; H65-T81 PolarHBondContact O-OG1 2.91Å; H65-E82 HydrophobicContact CB-CB 4.37Å; H65-E82 HydrophobicContact CB-CG 3.69Å; H65-E82 VanDerWaalsContact CB-OE1 3.32Å; H65-E82 WeakPolarHBondContact CB-OE1 3.05Å; H65-E82 IonicContact CE1-OE1 3.61Å; H65-E82 IonicContact CE1-OE2 2.66Å; H65-E82 VanDerWaalsContact CG-CD 3.5Å; H65-E82 IonicContact CG-OE1 3.29Å; H65-E82 IonicContact CG-OE2 3.73Å; H65-E82 IonicContact ND1-OE1 3.77Å; H65-E82 PolarHBondContact ND1-OE1 3.25Å; H65-E82 IonicContact ND1-OE2 2.84Å; H65-E82 PolarHBondContact ND1-OE2 2.85Å |
| 66 | V | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 117.1 | 178.5 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | S58 M63 E64 L78 Y79 F91 W106 | S58-V66 WeakPolarHBondContact CB-O 3.1Å; S58-V66 PolarHBondContact N-O 2.85Å; M63-V66 HydrophobicContact CB-CG2 4.43Å; M63-V66 HydrophobicContact CE-CG2 3.84Å; M63-V66 VanDerWaalsContact O-CB 3.27Å; M63-V66 WeakPolarHBondContact O-CB 3.4Å; M63-V66 WeakPolarHBondContact O-CG2 3.49Å; M63-V66 PolarHBondContact O-N 2.94Å; E64-V66 PolarHBondContact O-N 3.44Å; V66-L78 HydrophobicContact CG1-CB 4.18Å; V66-L78 HydrophobicContact CG1-CD2 4.37Å; V66-Y79 WeakPolarHBondContact CA-O 3.23Å; V66-F91 HydrophobicContact CG1-CE1 3.92Å; V66-F91 HydrophobicContact CG1-CZ 3.77Å; V66-F91 HydrophobicContact CG2-CE1 3.99Å; V66-F91 HydrophobicContact CG2-CZ 3.91Å; V66-W106 HydrophobicContact CG1-CH2 4.18Å; V66-W106 HydrophobicContact CG1-CZ2 4.16Å |
| 67 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.3 | 174.9 | -179.9 | 67.9 | 0 | 0 | 0 | 109.6 | C55 F57 H65 V69 L78 Y79 T81 A377 L385 I387 | C55-L67 HydrophobicContact CB-CD1 4.21Å; F57-L67 HydrophobicContact CD1-CB 4.04Å; F57-L67 HydrophobicContact CD1-CD1 4.13Å; F57-L67 HydrophobicContact CD2-CD1 3.78Å; F57-L67 HydrophobicContact CE1-CB 3.89Å; F57-L67 HydrophobicContact CE1-CD1 4.2Å; F57-L67 HydrophobicContact CE2-CD1 3.84Å; F57-L67 HydrophobicContact CG-CD1 3.93Å; F57-L67 HydrophobicContact CZ-CB 4.37Å; F57-L67 HydrophobicContact CZ-CD1 4.05Å; H65-L67 PolarHBondContact O-N 2.88Å; L67-V69 HydrophobicContact CD2-CG2 3.91Å; L67-V69 HydrophobicContact CG-CG2 3.79Å; L67-L78 WeakPolarHBondContact O-CA 3.4Å; L67-Y79 PolarHBondContact N-O 3.2Å; L67-Y79 PolarHBondContact O-N 3.16Å; L67-T81 HydrophobicContact CB-CG2 4.04Å; L67-A377 HydrophobicContact CD1-CB 3.88Å; L67-A377 HydrophobicContact CD2-CB 3.52Å; L67-A377 HydrophobicContact CG-CB 4.36Å; L67-L385 HydrophobicContact CD2-CD1 3.8Å; L67-L385 HydrophobicContact CD2-CD2 4.12Å; L67-I387 HydrophobicContact CD2-CG1 4.31Å |
| 68 | A | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | C55 T56 R77 L78 L104 W106 L113 | C55-A68 CarbonylContact C-O 3.54Å; C55-A68 VanDerWaalsContact CA-O 3.26Å; C55-A68 WeakPolarHBondContact CA-O 3.26Å; T56-A68 HydrophobicContact CG2-CB 4.37Å; T56-A68 PolarHBondContact N-O 2.84Å; T56-A68 PolarHBondContact O-N 3.13Å; A68-R77 WeakPolarHBondContact CA-O 3.33Å; A68-L78 HydrophobicContact CB-CD2 3.57Å; A68-L104 HydrophobicContact CB-CD1 4.11Å; A68-W106 HydrophobicContact CB-CZ2 3.61Å; A68-L113 HydrophobicContact CB-CD1 4.43Å; A68-L113 HydrophobicContact CB-CD2 4.15Å |
| 69 | V | 98.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 26.2 Ų | 26.2 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 140.1 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 110 | P52 G54 C55 L67 V76 R77 Y79 L385 | P52-V69 HydrophobicContact CB-CG1 3.68Å; G54-V69 CarbonylContact O-C 3.5Å; G54-V69 VanDerWaalsContact O-CA 3.27Å; G54-V69 WeakPolarHBondContact O-CA 3.34Å; C55-V69 HydrophobicContact CB-CG2 3.89Å; L67-V69 HydrophobicContact CD2-CG2 3.91Å; L67-V69 HydrophobicContact CG-CG2 3.79Å; V69-V76 CarbonylContact O-C 3.58Å; V69-V76 WeakPolarHBondContact O-CA 3.49Å; V69-R77 PolarHBondContact N-O 2.94Å; V69-R77 PolarHBondContact O-N 3.28Å; V69-Y79 HydrophobicContact CB-CE2 4.15Å; V69-Y79 HydrophobicContact CG2-CD2 4.09Å; V69-Y79 HydrophobicContact CG2-CE2 4.11Å; V69-L385 HydrophobicContact CG2-CD1 4.13Å; V69-L385 HydrophobicContact CG2-CD2 3.83Å |
| 70 | A | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P52 F53 G54 F75 V76 V101 L104 | P52-A70 CarbonylContact C-O 3.48Å; P52-A70 WeakPolarHBondContact CA-O 3.4Å; F53-A70 PolarHBondContact N-O 3.01Å; G54-A70 PolarHBondContact N-O 2.94Å; G54-A70 PolarHBondContact O-N 2.85Å; A70-F75 WeakPolarHBondContact CA-O 3.38Å; A70-F75 WeakPolarHBondContact CB-O 3.25Å; A70-V76 HydrophobicContact CB-CG2 3.97Å; A70-V101 HydrophobicContact CB-CB 3.73Å; A70-V101 HydrophobicContact CB-CG1 3.54Å; A70-L104 HydrophobicContact CB-CD1 3.86Å; A70-L104 HydrophobicContact CB-CD2 3.92Å; A70-L104 HydrophobicContact CB-CG 4.07Å |
| 71 | N | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 173.8 | -163.6 | 71.7 | 10.2 | 0 | 0 | 0 | 115.8 | S42 Y43 V50 P51 E73 G74 F75 R77 V101 | S42-N71 WeakPolarHBondContact OG-CB 3.34Å; S42-N71 PolarHBondContact OG-ND2 3.33Å; Y43-N71 PolarHBondContact O-ND2 3.14Å; Y43-N71 VanDerWaalsContact O-ND2 3.1Å; V50-N71 HydrophobicContact CG2-CB 4.14Å; V50-N71 VanDerWaalsContact CG2-ND2 3.27Å; V50-N71 WeakPolarHBondContact CG2-ND2 3.28Å; P51-N71 CarbonylContact O-C 3.6Å; P51-N71 VanDerWaalsContact O-CA 3.23Å; P51-N71 WeakPolarHBondContact O-CA 3.37Å; P51-N71 VanDerWaalsContact O-CB 3.23Å; P51-N71 WeakPolarHBondContact O-CB 3.24Å; N71-E73 PolarHBondContact O-N 3Å; N71-E73 PolarHBondContact OD1-N 3.42Å; N71-G74 PolarHBondContact O-N 2.75Å; N71-G74 VanDerWaalsContact O-N 3.16Å; N71-G74 PolarHBondContact OD1-N 3.07Å; N71-G74 VanDerWaalsContact OD1-N 3.16Å; N71-F75 PolarHBondContact N-O 2.96Å; N71-F75 PolarHBondContact OD1-N 3.36Å; N71-R77 PolarHBondContact ND2-NH1 3.29Å; N71-V101 PolarHBondContact O-N 2.92Å; N71-V101 VanDerWaalsContact O-N 3.13Å |
| 72 | E | 96.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 13% | 0.126 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27 | 178.8 | -172.7 | 172.1 | -131 | 0 | 0 | 113.5 | P51 F53 A100 K552 R553 | P51-E72 PolarHBondContact O-N 3.19Å; F53-E72 HydrophobicContact CD2-CB 4.22Å; F53-E72 HydrophobicContact CE2-CB 3.5Å; F53-E72 HydrophobicContact CE2-CG 3.7Å; F53-E72 HydrophobicContact CZ-CB 3.69Å; F53-E72 HydrophobicContact CZ-CG 3.88Å; E72-A100 HydrophobicContact CG-CB 4.28Å; E72-A100 WeakPolarHBondContact O-CA 3.45Å; E72-A100 WeakPolarHBondContact O-CB 3.37Å; E72-A100 PolarHBondContact O-N 2.81Å; E72-A100 VanDerWaalsContact O-N 3.08Å; E72-K552 VanDerWaalsContact OE1-CA 3.24Å; E72-K552 WeakPolarHBondContact OE1-CA 3.4Å; E72-R553 PolarHBondContact OE1-N 3.1Å |
| 73 | E | 96.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 21 Ų | 21 | 9% | 0.089 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27.6 | -179.7 | -73.1 | -101.9 | 138.6 | 0 | 0 | 113.2 | G44 E45 V50 N71 F75 R550 | G44-E73 WeakPolarHBondContact CA-OE2 3.36Å; E45-E73 PolarHBondContact N-OE2 3.16Å; E45-E73 VanDerWaalsContact N-OE2 3.07Å; V50-E73 HydrophobicContact CB-CG 4.01Å; V50-E73 HydrophobicContact CG1-CG 3.62Å; V50-E73 HydrophobicContact CG2-CB 4.37Å; V50-E73 HydrophobicContact CG2-CG 3.75Å; N71-E73 PolarHBondContact O-N 3Å; N71-E73 PolarHBondContact OD1-N 3.42Å; E73-F75 HydrophobicContact CB-CD2 3.95Å; E73-F75 HydrophobicContact CB-CE2 4.36Å; E73-R550 VanDerWaalsContact CA-NH2 3.32Å; E73-R550 PolarHBondContact O-NH2 3.23Å; E73-R550 IonicContact OE1-CZ 2.79Å; E73-R550 VanDerWaalsContact OE1-CZ 3.25Å; E73-R550 IonicContact OE1-NH1 3.02Å; E73-R550 PolarHBondContact OE1-NH1 3.2Å; E73-R550 IonicContact OE1-NH2 3.04Å; E73-R550 PolarHBondContact OE1-NH2 3.25Å; E73-R550 IonicContact OE2-CZ 3.53Å; E73-R550 IonicContact OE2-NH1 2.79Å; E73-R550 PolarHBondContact OE2-NH1 3.25Å; E73-R550 IonicContact OE2-NH2 3.41Å; E73-R550 PolarHBondContact OE2-NH2 2.99Å |
| 74 | G | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 109.6 | 7.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N71 A96 H97 N99 | N71-G74 PolarHBondContact O-N 2.75Å; N71-G74 VanDerWaalsContact O-N 3.16Å; N71-G74 PolarHBondContact OD1-N 3.07Å; N71-G74 VanDerWaalsContact OD1-N 3.16Å; G74-A96 PolarHBondContact O-N 3.32Å; G74-H97 WeakPolarHBondContact CA-O 3.25Å; G74-H97 PolarHBondContact O-N 3.24Å; G74-N99 WeakPolarHBondContact CA-O 3.42Å |
| 75 | F | 97.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 153.1 | 173.8 | -75 | -98.5 | 0 | 0 | 0 | 112 | E45 A70 N71 E73 W94 M95 | E45-F75 HydrophobicContact CB-CE2 3.9Å; E45-F75 HydrophobicContact CB-CZ 3.98Å; E45-F75 VanDerWaalsContact N-CE2 3.33Å; A70-F75 WeakPolarHBondContact CA-O 3.38Å; A70-F75 WeakPolarHBondContact CB-O 3.25Å; N71-F75 PolarHBondContact N-O 2.96Å; N71-F75 PolarHBondContact OD1-N 3.36Å; E73-F75 HydrophobicContact CB-CD2 3.95Å; E73-F75 HydrophobicContact CB-CE2 4.36Å; F75-W94 WeakPolarHBondContact CA-O 3.27Å; F75-M95 HydrophobicContact CD1-CB 4.41Å; F75-M95 HydrophobicContact CD2-CE 4.15Å; F75-M95 HydrophobicContact CD2-SD 3.75Å; F75-M95 HydrophobicContact CE1-CB 4.13Å; F75-M95 HydrophobicContact CE2-CE 3.33Å; F75-M95 HydrophobicContact CE2-SD 3.55Å; F75-M95 VanDerWaalsContact CE2-SD 3.55Å; F75-M95 HydrophobicContact CG-SD 4.33Å; F75-M95 HydrophobicContact CZ-CB 4.3Å; F75-M95 HydrophobicContact CZ-CE 3.6Å; F75-M95 HydrophobicContact CZ-SD 3.97Å |
| 76 | V | 97.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.8 | 164.6 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | V69 A70 E93 W94 A96 L104 L113 T115 | V69-V76 CarbonylContact O-C 3.58Å; V69-V76 WeakPolarHBondContact O-CA 3.49Å; A70-V76 HydrophobicContact CB-CG2 3.97Å; V76-E93 VanDerWaalsContact O-CA 3.27Å; V76-E93 WeakPolarHBondContact O-CA 3.35Å; V76-W94 HydrophobicContact CB-CD2 4.23Å; V76-W94 HydrophobicContact CB-CE3 4.48Å; V76-W94 HydrophobicContact CB-CH2 4.06Å; V76-W94 HydrophobicContact CB-CZ2 3.79Å; V76-W94 HydrophobicContact CB-CZ3 4.4Å; V76-W94 HydrophobicContact CG1-CH2 3.56Å; V76-W94 HydrophobicContact CG1-CZ2 3.67Å; V76-W94 HydrophobicContact CG1-CZ3 4.11Å; V76-W94 HydrophobicContact CG2-CZ2 4.35Å; V76-W94 PolarHBondContact N-O 3.47Å; V76-W94 PolarHBondContact O-N 2.99Å; V76-A96 HydrophobicContact CB-CB 4.48Å; V76-A96 HydrophobicContact CG2-CB 3.58Å; V76-L104 HydrophobicContact CG2-CD2 4.48Å; V76-L113 HydrophobicContact CG1-CD2 4.03Å; V76-T115 HydrophobicContact CG2-CG2 3.67Å |
| 77 | R | 96.3 | Very high | 86.4 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.8 | 177.5 | -63.3 | -166.4 | 164.8 | 87.1 | 8.3 | 110.7 | Y43 A68 V69 N71 Y79 K92 E93 | Y43-R77 PolarHBondContact O-NH1 3.42Å; Y43-R77 PolarHBondContact O-NH2 2.92Å; A68-R77 WeakPolarHBondContact CA-O 3.33Å; V69-R77 PolarHBondContact N-O 2.94Å; V69-R77 PolarHBondContact O-N 3.28Å; N71-R77 PolarHBondContact ND2-NH1 3.29Å; R77-Y79 HydrophobicContact CB-CD2 4.4Å; R77-Y79 HydrophobicContact CB-CE2 3.63Å; R77-K92 CarbonylContact C-O 3.53Å; R77-K92 WeakPolarHBondContact CA-O 3.33Å; R77-E93 HydrophobicContact CG-CB 3.82Å; R77-E93 IonicContact CZ-OE2 3.23Å; R77-E93 IonicContact NE-OE2 3.87Å; R77-E93 PolarHBondContact NE-OE2 2.87Å; R77-E93 IonicContact NH2-OE2 2.7Å; R77-E93 PolarHBondContact NH2-OE2 3.26Å |
| 78 | L | 96.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.8 | 177.6 | -56.1 | -178.4 | 0 | 0 | 0 | 110.6 | V66 L67 A68 C90 F91 K92 W94 W106 V127 | V66-L78 HydrophobicContact CG1-CB 4.18Å; V66-L78 HydrophobicContact CG1-CD2 4.37Å; L67-L78 WeakPolarHBondContact O-CA 3.4Å; A68-L78 HydrophobicContact CB-CD2 3.57Å; L78-C90 WeakPolarHBondContact O-CA 3.36Å; L78-F91 HydrophobicContact CB-CD1 4.32Å; L78-F91 HydrophobicContact CB-CE1 3.73Å; L78-F91 HydrophobicContact CB-CE2 4.19Å; L78-F91 HydrophobicContact CB-CZ 3.66Å; L78-F91 HydrophobicContact CD1-CE2 4.22Å; L78-F91 HydrophobicContact CD1-CZ 4.09Å; L78-F91 VanDerWaalsContact O-CD1 3.28Å; L78-F91 WeakPolarHBondContact O-CD1 3.44Å; L78-F91 PolarHBondContact O-N 2.79Å; L78-K92 HydrophobicContact CB-CB 4.28Å; L78-K92 HydrophobicContact CD1-CB 4.05Å; L78-K92 HydrophobicContact CD1-CD 4.25Å; L78-K92 HydrophobicContact CG-CB 4.34Å; L78-K92 PolarHBondContact N-O 2.97Å; L78-W94 HydrophobicContact CD1-CH2 4.1Å; L78-W94 HydrophobicContact CD1-CZ3 3.88Å; L78-W94 HydrophobicContact CD2-CH2 4.23Å; L78-W94 HydrophobicContact CD2-CZ3 4.41Å; L78-W94 HydrophobicContact CG-CH2 4.13Å; L78-W94 HydrophobicContact CG-CZ3 3.84Å; L78-W106 HydrophobicContact CD2-CH2 4.15Å; L78-W106 HydrophobicContact CD2-CZ2 4.19Å; L78-V127 HydrophobicContact CD1-CG1 3.29Å |
| 79 | Y | 94.3 | Very high | 83.8 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.7 | 179.3 | -60.6 | -96.1 | 0 | 0 | 0 | 110.2 | H40 V66 L67 V69 R77 K89 C90 L385 | H40-Y79 HydrophobicContact CB-CE1 3.81Å; H40-Y79 AromaticContact CD2-CD1 3.25Å; H40-Y79 WeakPolarHBondContact CD2-CD1 3.18Å; H40-Y79 AromaticContact CD2-CE1 3.29Å; H40-Y79 WeakPolarHBondContact CD2-CE1 3.37Å; H40-Y79 AromaticContact CG-CE1 3.65Å; H40-Y79 AromaticContact NE2-CD1 3.78Å; V66-Y79 WeakPolarHBondContact CA-O 3.23Å; L67-Y79 PolarHBondContact N-O 3.2Å; L67-Y79 PolarHBondContact O-N 3.16Å; V69-Y79 HydrophobicContact CB-CE2 4.15Å; V69-Y79 HydrophobicContact CG2-CD2 4.09Å; V69-Y79 HydrophobicContact CG2-CE2 4.11Å; R77-Y79 HydrophobicContact CB-CD2 4.4Å; R77-Y79 HydrophobicContact CB-CE2 3.63Å; Y79-K89 CarbonylContact C-O 3.55Å; Y79-K89 VanDerWaalsContact CA-O 3.3Å; Y79-K89 WeakPolarHBondContact CA-O 3.33Å; Y79-C90 HydrophobicContact CD1-CB 3.96Å; Y79-C90 HydrophobicContact CE1-CB 3.82Å; Y79-L385 HydrophobicContact CD1-CD2 4.33Å; Y79-L385 HydrophobicContact CD2-CD2 3.71Å; Y79-L385 HydrophobicContact CE1-CD2 4.2Å; Y79-L385 HydrophobicContact CE2-CD2 3.58Å; Y79-L385 HydrophobicContact CG-CD2 4.1Å |
| 80 | N | 92.3 | Very high | 83.3 | Confident | 41 Ų | 41 | 56.2 Ų | 56.2 | 22% | 0.219 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 113.5 | 166.1 | 179.4 | -39.4 | 0 | 0 | 0 | 108.3 | H65 E82 S83 K89 F91 | H65-N80 PolarHBondContact NE2-ND2 3.08Å; N80-E82 WeakPolarHBondContact OD1-CA 3.38Å; N80-E82 WeakPolarHBondContact OD1-CB 3.29Å; N80-E82 PolarHBondContact OD1-N 3.37Å; N80-S83 PolarHBondContact OD1-N 3.13Å; N80-K89 PolarHBondContact N-O 2.91Å; N80-F91 HydrophobicContact CB-CD1 4.02Å; N80-F91 HydrophobicContact CB-CE1 4.23Å |
| 81 | T | 90.5 | Very high | 83 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -87 | -10.8 | -176.6 | 64.8 | 0 | 0 | 0 | 0 | 114.6 | F57 H65 L67 K375 I387 R389 | F57-T81 HydrophobicContact CE1-CG2 3.74Å; F57-T81 HydrophobicContact CZ-CG2 4.18Å; H65-T81 WeakPolarHBondContact O-CB 3.39Å; H65-T81 WeakPolarHBondContact O-CG2 3.33Å; H65-T81 PolarHBondContact O-N 2.76Å; H65-T81 VanDerWaalsContact O-N 3.09Å; H65-T81 PolarHBondContact O-OG1 2.91Å; L67-T81 HydrophobicContact CB-CG2 4.04Å; T81-K375 WeakPolarHBondContact OG1-CD 3.47Å; T81-I387 HydrophobicContact CG2-CD1 3.99Å; T81-I387 HydrophobicContact CG2-CG2 4.4Å; T81-R389 PolarHBondContact O-NH1 3.31Å; T81-R389 PolarHBondContact O-NH2 2.94Å |
| 82 | E | 84.8 | Confident | 82.8 | Confident | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -77.3 | -36.2 | 171.4 | -81.7 | 169.4 | -156.8 | 0 | 0 | 112.1 | H65 N80 Q84 | H65-E82 HydrophobicContact CB-CB 4.37Å; H65-E82 HydrophobicContact CB-CG 3.69Å; H65-E82 VanDerWaalsContact CB-OE1 3.32Å; H65-E82 WeakPolarHBondContact CB-OE1 3.05Å; H65-E82 IonicContact CE1-OE1 3.61Å; H65-E82 IonicContact CE1-OE2 2.66Å; H65-E82 VanDerWaalsContact CG-CD 3.5Å; H65-E82 IonicContact CG-OE1 3.29Å; H65-E82 IonicContact CG-OE2 3.73Å; H65-E82 IonicContact ND1-OE1 3.77Å; H65-E82 PolarHBondContact ND1-OE1 3.25Å; H65-E82 IonicContact ND1-OE2 2.84Å; H65-E82 PolarHBondContact ND1-OE2 2.85Å; N80-E82 WeakPolarHBondContact OD1-CA 3.38Å; N80-E82 WeakPolarHBondContact OD1-CB 3.29Å; N80-E82 PolarHBondContact OD1-N 3.37Å; E82-Q84 PolarHBondContact O-N 2.83Å |
| 83 | S | 69.6 | Low | 82.7 | Confident | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | trans | -62.2 | 109.2 | 179.9 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | N80 T85 K89 | N80-S83 PolarHBondContact OD1-N 3.13Å; S83-T85 PolarHBondContact OG-N 3.47Å; S83-T85 PolarHBondContact OG-OG1 2.81Å; S83-K89 WeakPolarHBondContact O-CE 3.33Å | ||
| 84 | Q | 61.3 | Low | 82.6 | Confident | 171 Ų | 171 | 68.1 Ų | 68.1 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | trans | -79.2 | -6.7 | 169.3 | -60.1 | -176.3 | 11.3 | 0 | 0 | 112.1 | E82 | E82-Q84 PolarHBondContact O-N 2.83Š| ||
| 85 | T | 54.7 | Low | 82.6 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | trans | -86 | 131.8 | -176.6 | 68.7 | 0 | 0 | 0 | 0 | 112 | S83 R87 | S83-T85 PolarHBondContact OG-N 3.47Å; S83-T85 PolarHBondContact OG-OG1 2.81Å; T85-R87 VanDerWaalsContact C-N 3.29Å; T85-R87 PolarHBondContact O-N 2.84Å | ||
| 86 | F | 52.4 | Low | 82.6 | Confident | 171 Ų | 171 | 69.4 Ų | 69.4 | 75% | 0.75 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -56.7 | -35.3 | -174.5 | -178.5 | -98.5 | 0 | 0 | 0 | 114.5 | K88 | F86-K88 PolarHBondContact O-N 3.48Š|
| 87 | R | 51.1 | Low | 82.6 | Confident | 233 Ų | 233 | 69.4 Ų | 69.4 | 88% | 0.879 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -74.7 | -20.9 | -159.5 | -74.8 | -173.9 | 171.2 | -177.6 | -2.9 | 116.7 | T85 | T85-R87 VanDerWaalsContact C-N 3.29Å; T85-R87 PolarHBondContact O-N 2.84Å |
| 88 | K | 58.7 | Low | 82.5 | Confident | 163 Ų | 163 | 76.4 Ų | 76.4 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -152.1 | 64.3 | 178.2 | -67.2 | -166.3 | 178.4 | -176.2 | 0 | 113 | F86 C90 | F86-K88 PolarHBondContact O-N 3.48Å; K88-C90 CarbonylContact C-O 3.47Å |
| 89 | K | 80.7 | Confident | 82.5 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -72.8 | -53.9 | 169.1 | -82.8 | -170.8 | 172.9 | -178.4 | 0 | 111.8 | N37 D38 Y79 N80 S83 | N37-K89 WeakPolarHBondContact O-CD 3.27Å; N37-K89 PolarHBondContact O-NZ 2.94Å; D38-K89 IonicContact OD1-NZ 3.11Å; D38-K89 PolarHBondContact OD1-NZ 3.35Å; Y79-K89 CarbonylContact C-O 3.55Å; Y79-K89 VanDerWaalsContact CA-O 3.3Å; Y79-K89 WeakPolarHBondContact CA-O 3.33Å; N80-K89 PolarHBondContact N-O 2.91Å; S83-K89 WeakPolarHBondContact O-CE 3.33Å |
| 90 | C | 88.7 | Confident | 82.6 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131.3 | 160.2 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | L78 Y79 K88 | L78-C90 WeakPolarHBondContact O-CA 3.36Å; Y79-C90 HydrophobicContact CD1-CB 3.96Å; Y79-C90 HydrophobicContact CE1-CB 3.82Å; K88-C90 CarbonylContact C-O 3.47Å |
| 91 | F | 90.8 | Very high | 82.8 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 40% | 0.404 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | -9.7 | -179.8 | 70.7 | -92.1 | 0 | 0 | 0 | 114.2 | V66 L78 N80 | V66-F91 HydrophobicContact CG1-CE1 3.92Å; V66-F91 HydrophobicContact CG1-CZ 3.77Å; V66-F91 HydrophobicContact CG2-CE1 3.99Å; V66-F91 HydrophobicContact CG2-CZ 3.91Å; L78-F91 HydrophobicContact CB-CD1 4.32Å; L78-F91 HydrophobicContact CB-CE1 3.73Å; L78-F91 HydrophobicContact CB-CE2 4.19Å; L78-F91 HydrophobicContact CB-CZ 3.66Å; L78-F91 HydrophobicContact CD1-CE2 4.22Å; L78-F91 HydrophobicContact CD1-CZ 4.09Å; L78-F91 VanDerWaalsContact O-CD1 3.28Å; L78-F91 WeakPolarHBondContact O-CD1 3.44Å; L78-F91 PolarHBondContact O-N 2.79Å; N80-F91 HydrophobicContact CB-CD1 4.02Å; N80-F91 HydrophobicContact CB-CE1 4.23Å |
| 92 | K | 92.3 | Very high | 83.2 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 133.8 | 176.1 | -162.4 | 166.9 | -171.1 | 161.3 | 0 | 110 | R77 L78 W94 V127 K128 G130 | R77-K92 CarbonylContact C-O 3.53Å; R77-K92 WeakPolarHBondContact CA-O 3.33Å; L78-K92 HydrophobicContact CB-CB 4.28Å; L78-K92 HydrophobicContact CD1-CB 4.05Å; L78-K92 HydrophobicContact CD1-CD 4.25Å; L78-K92 HydrophobicContact CG-CB 4.34Å; L78-K92 PolarHBondContact N-O 2.97Å; K92-W94 HydrophobicContact CD-CZ3 4.35Å; K92-W94 HydrophobicContact CG-CE3 4.11Å; K92-W94 HydrophobicContact CG-CZ3 4.08Å; K92-V127 PolarHBondContact NZ-O 3.42Å; K92-K128 PolarHBondContact NZ-O 2.98Å; K92-G130 VanDerWaalsContact NZ-N 3.18Å |
| 93 | E | 94.1 | Very high | 83.8 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.8 | 170.9 | 66.9 | -179.8 | 163 | 0 | 0 | 110.8 | V76 R77 | V76-E93 VanDerWaalsContact O-CA 3.27Å; V76-E93 WeakPolarHBondContact O-CA 3.35Å; R77-E93 HydrophobicContact CG-CB 3.82Å; R77-E93 IonicContact CZ-OE2 3.23Å; R77-E93 IonicContact NE-OE2 3.87Å; R77-E93 PolarHBondContact NE-OE2 2.87Å; R77-E93 IonicContact NH2-OE2 2.7Å; R77-E93 PolarHBondContact NH2-OE2 3.26Å |
| 94 | W | 95.9 | Very high | 85.1 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 152.9 | 172.7 | 65.5 | 104.4 | 0 | 0 | 0 | 111.8 | F75 V76 L78 K92 A96 L113 W125 V127 | F75-W94 WeakPolarHBondContact CA-O 3.27Å; V76-W94 HydrophobicContact CB-CD2 4.23Å; V76-W94 HydrophobicContact CB-CE3 4.48Å; V76-W94 HydrophobicContact CB-CH2 4.06Å; V76-W94 HydrophobicContact CB-CZ2 3.79Å; V76-W94 HydrophobicContact CB-CZ3 4.4Å; V76-W94 HydrophobicContact CG1-CH2 3.56Å; V76-W94 HydrophobicContact CG1-CZ2 3.67Å; V76-W94 HydrophobicContact CG1-CZ3 4.11Å; V76-W94 HydrophobicContact CG2-CZ2 4.35Å; V76-W94 PolarHBondContact N-O 3.47Å; V76-W94 PolarHBondContact O-N 2.99Å; L78-W94 HydrophobicContact CD1-CH2 4.1Å; L78-W94 HydrophobicContact CD1-CZ3 3.88Å; L78-W94 HydrophobicContact CD2-CH2 4.23Å; L78-W94 HydrophobicContact CD2-CZ3 4.41Å; L78-W94 HydrophobicContact CG-CH2 4.13Å; L78-W94 HydrophobicContact CG-CZ3 3.84Å; K92-W94 HydrophobicContact CD-CZ3 4.35Å; K92-W94 HydrophobicContact CG-CE3 4.11Å; K92-W94 HydrophobicContact CG-CZ3 4.08Å; W94-A96 PolarHBondContact O-N 2.86Å; W94-L113 HydrophobicContact CH2-CD2 4.49Å; W94-L113 HydrophobicContact CZ2-CD2 4.4Å; W94-W125 AromaticContact CD1-CH2 3.67Å; W94-W125 AromaticContact CD1-CZ3 3.64Å; W94-W125 HydrophobicContact CZ2-CG 4.45Å; W94-W125 AromaticContact NE1-CD2 3.53Å; W94-W125 AromaticContact NE1-CE2 3.61Å; W94-W125 AromaticContact NE1-CE3 3.5Å; W94-W125 AromaticContact NE1-CH2 3.67Å; W94-W125 AromaticContact NE1-CZ2 3.71Å; W94-W125 AromaticContact NE1-CZ3 3.56Å; W94-V127 HydrophobicContact CH2-CG2 4.14Å |
| 95 | M | 96.1 | Very high | 86.9 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 99.7 | 167.6 | -177 | 73.1 | 94.5 | 0 | 0 | 108.6 | E45 F75 | E45-M95 HydrophobicContact CB-CE 3.96Å; E45-M95 HydrophobicContact CG-CE 4.26Å; E45-M95 WeakPolarHBondContact OE2-CE 3.49Å; F75-M95 HydrophobicContact CD1-CB 4.41Å; F75-M95 HydrophobicContact CD2-CE 4.15Å; F75-M95 HydrophobicContact CD2-SD 3.75Å; F75-M95 HydrophobicContact CE1-CB 4.13Å; F75-M95 HydrophobicContact CE2-CE 3.33Å; F75-M95 HydrophobicContact CE2-SD 3.55Å; F75-M95 VanDerWaalsContact CE2-SD 3.55Å; F75-M95 HydrophobicContact CG-SD 4.33Å; F75-M95 HydrophobicContact CZ-CB 4.3Å; F75-M95 HydrophobicContact CZ-CE 3.6Å; F75-M95 HydrophobicContact CZ-SD 3.97Å |
| 96 | A | 96.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | trans | -79.7 | -42 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G74 V76 W94 T115 K123 W125 | G74-A96 PolarHBondContact O-N 3.32Å; V76-A96 HydrophobicContact CB-CB 4.48Å; V76-A96 HydrophobicContact CG2-CB 3.58Å; W94-A96 PolarHBondContact O-N 2.86Å; A96-T115 HydrophobicContact CB-CG2 4.3Å; A96-K123 VanDerWaalsContact O-CD 3.24Å; A96-K123 WeakPolarHBondContact O-CD 3.46Å; A96-K123 PolarHBondContact O-NZ 3.19Å; A96-W125 HydrophobicContact CB-CH2 4.35Å; A96-W125 HydrophobicContact CB-CZ2 3.61Å; A96-W125 WeakPolarHBondContact O-CZ2 3.21Å | ||
| 97 | H | 97.1 | Very high | 91 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -135.4 | 162.7 | -176.9 | -71.1 | -96.7 | 0 | 0 | 0 | 110.6 | G74 N99 V101 T115 A117 D119 T121 | G74-H97 WeakPolarHBondContact CA-O 3.25Å; G74-H97 PolarHBondContact O-N 3.24Å; H97-N99 VanDerWaalsContact C-N 3.28Å; H97-N99 WeakPolarHBondContact CB-O 3.38Å; H97-V101 HydrophobicContact CB-CG2 4.03Å; H97-T115 PolarHBondContact CD2-OG1 2.84Å; H97-T115 PolarHBondContact NE2-OG1 2.7Å; H97-A117 HydrophobicContact CB-CB 3.8Å; H97-A117 VanDerWaalsContact ND1-CB 3.26Å; H97-A117 WeakPolarHBondContact ND1-CB 3.44Å; H97-D119 WeakPolarHBondContact CB-OD2 3.42Å; H97-D119 IonicContact CE1-OD1 3.25Å; H97-D119 IonicContact CE1-OD2 2.64Å; H97-D119 IonicContact CG-OD2 3.45Å; H97-D119 IonicContact ND1-OD1 2.69Å; H97-D119 PolarHBondContact ND1-OD1 3.28Å; H97-D119 IonicContact ND1-OD2 3.28Å; H97-D119 PolarHBondContact ND1-OD2 3.49Å; H97-T121 PolarHBondContact CE1-O 3.39Å; H97-T121 PolarHBondContact CE1-OG1 3.13Å; H97-T121 VanDerWaalsContact CE1-OG1 3.29Å; H97-T121 PolarHBondContact ND1-OG1 3.2Å | ||
| 98 | W | 93.9 | Very high | 93.1 | Very high | 169 Ų | 169 | 41.1 Ų | 41.1 | 64% | 0.64 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -95.3 | 18 | 177.8 | -69.6 | 6.5 | 0 | 0 | 0 | 112.5 | ||
| 99 | N | 95.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -161.3 | 162.7 | -175 | -157.6 | 7.7 | 0 | 0 | 0 | 108.3 | G74 H97 V101 G118 D119 V551 | G74-N99 WeakPolarHBondContact CA-O 3.42Å; H97-N99 VanDerWaalsContact C-N 3.28Å; H97-N99 WeakPolarHBondContact CB-O 3.38Å; N99-V101 PolarHBondContact O-N 3.44Å; N99-G118 PolarHBondContact ND2-O 2.88Å; N99-G118 VanDerWaalsContact ND2-O 3.16Å; N99-D119 HydrophobicContact CB-CB 4.04Å; N99-V551 PolarHBondContact OD1-N 3.49Å |
| 100 | A | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -45.4 | 127.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F53 E72 F102 A117 G118 | F53-A100 HydrophobicContact CD2-CB 4.06Å; F53-A100 HydrophobicContact CE2-CB 3.87Å; E72-A100 HydrophobicContact CG-CB 4.28Å; E72-A100 WeakPolarHBondContact O-CA 3.45Å; E72-A100 WeakPolarHBondContact O-CB 3.37Å; E72-A100 PolarHBondContact O-N 2.81Å; E72-A100 VanDerWaalsContact O-N 3.08Å; A100-F102 HydrophobicContact CB-CE1 4.02Å; A100-F102 HydrophobicContact CB-CE2 4.01Å; A100-F102 HydrophobicContact CB-CZ 3.71Å; A100-A117 CarbonylContact O-C 3.5Å; A100-A117 VanDerWaalsContact O-CA 3.26Å; A100-A117 WeakPolarHBondContact O-CA 3.42Å; A100-A117 WeakPolarHBondContact O-CB 3.38Å; A100-G118 PolarHBondContact O-N 2.95Å | ||
| 101 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 111.5 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 107.7 | A70 N71 H97 N99 L104 A117 | A70-V101 HydrophobicContact CB-CB 3.73Å; A70-V101 HydrophobicContact CB-CG1 3.54Å; N71-V101 PolarHBondContact O-N 2.92Å; N71-V101 VanDerWaalsContact O-N 3.13Å; H97-V101 HydrophobicContact CB-CG2 4.03Å; N99-V101 PolarHBondContact O-N 3.44Å; V101-L104 HydrophobicContact CG1-CD2 3.8Å; V101-L104 HydrophobicContact CG1-CG 4.42Å; V101-A117 HydrophobicContact CG2-CB 4.11Å |
| 102 | F | 97.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -25.4 | -176.4 | -67.6 | -68.3 | 0 | 0 | 0 | 112.7 | F53 A100 A116 L143 K144 Y320 K322 | F53-F102 AromaticContact CD2-CD1 3.92Å; F53-F102 HydrophobicContact CD2-CD1 3.92Å; F53-F102 AromaticContact CD2-CE1 3.92Å; F53-F102 HydrophobicContact CD2-CE1 3.92Å; F53-F102 HydrophobicContact CE2-CD1 4.38Å; F53-F102 AromaticContact CE2-CE1 3.9Å; F53-F102 HydrophobicContact CE2-CE1 3.9Å; A100-F102 HydrophobicContact CB-CE1 4.02Å; A100-F102 HydrophobicContact CB-CE2 4.01Å; A100-F102 HydrophobicContact CB-CZ 3.71Å; F102-A116 PolarHBondContact N-O 3.34Å; F102-L143 WeakPolarHBondContact CD2-O 3.36Å; F102-K144 HydrophobicContact CB-CD 4.48Å; F102-K144 HydrophobicContact CD2-CD 4.32Å; F102-K144 HydrophobicContact CG-CD 4.2Å; F102-Y320 HydrophobicContact CD1-CD1 4.43Å; F102-Y320 AromaticContact CD1-CE1 3.85Å; F102-Y320 HydrophobicContact CD1-CE1 3.85Å; F102-Y320 AromaticContact CE1-CE1 3.73Å; F102-Y320 HydrophobicContact CE1-CE1 3.73Å; F102-K322 PolarHBondContact O-NZ 2.97Å |
| 103 | D | 97.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 156.6 | -177.8 | -153.3 | 24.8 | 0 | 0 | 0 | 114.2 | A116 S145 V146 K322 | D103-A116 HydrophobicContact CB-CB 4.43Å; D103-A116 PolarHBondContact N-O 3.17Å; D103-A116 PolarHBondContact O-N 2.71Å; D103-S145 WeakPolarHBondContact OD2-CA 3.33Å; D103-S145 PolarHBondContact OD2-OG 3.48Å; D103-V146 HydrophobicContact CB-CG1 4.09Å; D103-V146 PolarHBondContact OD2-N 3.25Å; D103-K322 IonicContact OD1-NZ 3.16Å; D103-K322 PolarHBondContact OD1-NZ 3.36Å |
| 104 | L | 97.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.4 | -171.6 | -67.1 | -179.2 | 0 | 0 | 0 | 110.1 | T56 A68 A70 V76 V101 L113 V114 T115 | T56-L104 HydrophobicContact CG2-CB 3.43Å; T56-L104 VanDerWaalsContact CG2-CB 3.43Å; T56-L104 HydrophobicContact CG2-CD1 4.11Å; T56-L104 HydrophobicContact CG2-CG 4.44Å; A68-L104 HydrophobicContact CB-CD1 4.11Å; A70-L104 HydrophobicContact CB-CD1 3.86Å; A70-L104 HydrophobicContact CB-CD2 3.92Å; A70-L104 HydrophobicContact CB-CG 4.07Å; V76-L104 HydrophobicContact CG2-CD2 4.48Å; V101-L104 HydrophobicContact CG1-CD2 3.8Å; V101-L104 HydrophobicContact CG1-CG 4.42Å; L104-L113 HydrophobicContact CB-CD1 4.44Å; L104-L113 HydrophobicContact CD2-CD2 4.29Å; L104-V114 WeakPolarHBondContact CA-O 3.22Å; L104-T115 HydrophobicContact CD2-CG2 3.64Å |
| 105 | A | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 10% | 0.099 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 126.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | V114 V146 F148 | A105-V114 PolarHBondContact N-O 3.06Å; A105-V114 PolarHBondContact O-N 2.85Å; A105-V146 HydrophobicContact CB-CG1 3.93Å; A105-V146 HydrophobicContact CB-CG2 4.25Å; A105-F148 HydrophobicContact CB-CD2 3.85Å; A105-F148 HydrophobicContact CB-CE2 4.31Å |
| 106 | W | 97.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 6% | 0.057 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 146.3 | 171.8 | -67.6 | 97.9 | 0 | 0 | 0 | 110.9 | T56 F57 V66 A68 L78 L111 K112 L113 V127 F148 | T56-W106 PolarHBondContact O-NE1 3.41Å; F57-W106 VanDerWaalsContact C-NE1 3.35Å; F57-W106 PolarHBondContact O-NE1 3.2Å; V66-W106 HydrophobicContact CG1-CH2 4.18Å; V66-W106 HydrophobicContact CG1-CZ2 4.16Å; A68-W106 HydrophobicContact CB-CZ2 3.61Å; L78-W106 HydrophobicContact CD2-CH2 4.15Å; L78-W106 HydrophobicContact CD2-CZ2 4.19Å; W106-L111 HydrophobicContact CH2-CD1 4.02Å; W106-L111 HydrophobicContact CZ3-CD1 3.72Å; W106-L111 HydrophobicContact CZ3-CG 4.15Å; W106-K112 WeakPolarHBondContact CA-O 3.3Å; W106-L113 HydrophobicContact CD2-CD1 3.8Å; W106-L113 HydrophobicContact CE3-CB 4.28Å; W106-L113 HydrophobicContact CE3-CD1 4.24Å; W106-L113 HydrophobicContact CG-CD1 3.95Å; W106-L113 HydrophobicContact CZ3-CB 4.48Å; W106-V127 HydrophobicContact CH2-CB 4.45Å; W106-V127 HydrophobicContact CH2-CG1 4.05Å; W106-V127 HydrophobicContact CH2-CG2 4.25Å; W106-V127 HydrophobicContact CZ3-CB 4.05Å; W106-V127 HydrophobicContact CZ3-CG1 4.09Å; W106-V127 HydrophobicContact CZ3-CG2 3.89Å; W106-F148 VanDerWaalsContact O-CD2 3.3Å; W106-F148 WeakPolarHBondContact O-CD2 3.36Å |
| 107 | V | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | trans | -66 | 130.3 | 167.2 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | S59 G109 E110 K112 F124 F148 K153 | S59-V107 PolarHBondContact OG-O 3.19Å; V107-G109 PolarHBondContact O-N 3.31Å; V107-E110 HydrophobicContact CB-CB 4.03Å; V107-E110 HydrophobicContact CG1-CB 3.85Å; V107-E110 HydrophobicContact CG1-CG 4.28Å; V107-E110 PolarHBondContact O-N 2.78Å; V107-K112 HydrophobicContact CB-CB 4.16Å; V107-K112 HydrophobicContact CG2-CB 3.67Å; V107-K112 PolarHBondContact N-O 2.79Å; V107-F124 HydrophobicContact CG2-CE2 3.58Å; V107-F124 HydrophobicContact CG2-CZ 4.05Å; V107-F148 HydrophobicContact CB-CE1 4.48Å; V107-F148 HydrophobicContact CB-CZ 4.43Å; V107-F148 HydrophobicContact CG2-CE1 3.78Å; V107-F148 HydrophobicContact CG2-CE2 4.04Å; V107-F148 HydrophobicContact CG2-CZ 3.49Å; V107-F148 VanDerWaalsContact CG2-CZ 3.49Å; V107-K153 HydrophobicContact CG1-CB 4Å; V107-K153 HydrophobicContact CG1-CD 4.46Å | ||
| 108 | P | 94.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 22% | 0.221 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 114.5 | -178.6 | -28.4 | 35.5 | 0 | 0 | 0 | 112.9 | S59 E110 F148 K153 | S59-P108 WeakPolarHBondContact OG-CA 3.33Å; P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 3.23Å; P108-F148 HydrophobicContact CG-CB 4.06Å; P108-K153 HydrophobicContact CB-CG 4.48Å; P108-K153 VanDerWaalsContact O-CD 3.26Å; P108-K153 WeakPolarHBondContact O-CD 3.3Å; P108-K153 WeakPolarHBondContact O-CE 3.41Å; P108-K153 PolarHBondContact O-NZ 2.91Å |
| 109 | G | 93 | Very high | 96.7 | Very high | 30 Ų | 30 | 16.6 Ų | 16.6 | 31% | 0.309 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 18.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S59 V107 | S59-G109 VanDerWaalsContact O-CA 3.29Å; S59-G109 WeakPolarHBondContact O-CA 3.45Å; S59-G109 PolarHBondContact O-N 2.85Å; S59-G109 PolarHBondContact OG-N 2.92Å; S59-G109 VanDerWaalsContact OG-N 3.09Å; V107-G109 PolarHBondContact O-N 3.31Å |
| 110 | E | 94.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 20.6 Ų | 20.6 | 28% | 0.28 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -136.1 | 145.2 | 176.2 | -71.5 | -179.9 | -142.1 | 0 | 0 | 112 | V107 P108 K112 K153 | V107-E110 HydrophobicContact CB-CB 4.03Å; V107-E110 HydrophobicContact CG1-CB 3.85Å; V107-E110 HydrophobicContact CG1-CG 4.28Å; V107-E110 PolarHBondContact O-N 2.78Å; P108-E110 VanDerWaalsContact C-N 3.33Å; P108-E110 PolarHBondContact O-N 3.23Å; E110-K112 PolarHBondContact O-N 3.41Å; E110-K112 WeakPolarHBondContact OE2-CE 3.36Å; E110-K112 IonicContact OE2-NZ 2.81Å; E110-K112 PolarHBondContact OE2-NZ 3Å; E110-K153 HydrophobicContact CG-CD 4.49Å; E110-K153 VanDerWaalsContact OE1-CD 3.26Å; E110-K153 WeakPolarHBondContact OE1-CD 3.35Å; E110-K153 IonicContact OE1-NZ 2.7Å |
| 111 | L | 95.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 21.3 Ų | 21.3 | 18% | 0.183 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -80.3 | 60.1 | 179 | -158.2 | 74.4 | 0 | 0 | 0 | 111.1 | A60 M63 W106 V127 K128 | A60-L111 HydrophobicContact CB-CB 4.21Å; A60-L111 HydrophobicContact CB-CD1 4.12Å; M63-L111 HydrophobicContact CB-CD1 3.93Å; M63-L111 HydrophobicContact CE-CD1 4.15Å; M63-L111 HydrophobicContact CE-CD2 3.8Å; M63-L111 HydrophobicContact CG-CD1 4.27Å; W106-L111 HydrophobicContact CH2-CD1 4.02Å; W106-L111 HydrophobicContact CZ3-CD1 3.72Å; W106-L111 HydrophobicContact CZ3-CG 4.15Å; L111-V127 HydrophobicContact CD1-CG1 4.44Å; L111-V127 HydrophobicContact CD2-CG1 4.13Å; L111-V127 HydrophobicContact CG-CB 4.09Å; L111-V127 HydrophobicContact CG-CG1 3.89Å; L111-V127 WeakPolarHBondContact O-CB 3.42Å; L111-V127 PolarHBondContact O-N 2.86Å; L111-K128 HydrophobicContact CD2-CB 4.19Å |
| 112 | K | 96 | Very high | 96.7 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 24% | 0.243 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.7 | 179.8 | -62.7 | 176.6 | -174.7 | 152.5 | 0 | 109.4 | W106 V107 E110 F124 W125 D126 I133 | W106-K112 WeakPolarHBondContact CA-O 3.3Å; V107-K112 HydrophobicContact CB-CB 4.16Å; V107-K112 HydrophobicContact CG2-CB 3.67Å; V107-K112 PolarHBondContact N-O 2.79Å; E110-K112 PolarHBondContact O-N 3.41Å; E110-K112 WeakPolarHBondContact OE2-CE 3.36Å; E110-K112 IonicContact OE2-NZ 2.81Å; E110-K112 PolarHBondContact OE2-NZ 3Å; K112-F124 HydrophobicContact CB-CE2 3.86Å; K112-F124 HydrophobicContact CB-CZ 4.34Å; K112-F124 HydrophobicContact CD-CE2 4.36Å; K112-F124 HydrophobicContact CD-CZ 3.99Å; K112-W125 VanDerWaalsContact CA-O 3.25Å; K112-W125 WeakPolarHBondContact CA-O 3.23Å; K112-W125 WeakPolarHBondContact CB-O 3.33Å; K112-D126 WeakPolarHBondContact CE-OD2 3.06Å; K112-I133 HydrophobicContact CD-CD1 4.12Å; K112-I133 HydrophobicContact CG-CD1 4.44Å |
| 113 | L | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.1 | -167.2 | -174.7 | 70.5 | 0 | 0 | 0 | 110.6 | A68 V76 W94 L104 W106 T115 W125 V127 | A68-L113 HydrophobicContact CB-CD1 4.43Å; A68-L113 HydrophobicContact CB-CD2 4.15Å; V76-L113 HydrophobicContact CG1-CD2 4.03Å; W94-L113 HydrophobicContact CH2-CD2 4.49Å; W94-L113 HydrophobicContact CZ2-CD2 4.4Å; L104-L113 HydrophobicContact CB-CD1 4.44Å; L104-L113 HydrophobicContact CD2-CD2 4.29Å; W106-L113 HydrophobicContact CD2-CD1 3.8Å; W106-L113 HydrophobicContact CE3-CB 4.28Å; W106-L113 HydrophobicContact CE3-CD1 4.24Å; W106-L113 HydrophobicContact CG-CD1 3.95Å; W106-L113 HydrophobicContact CZ3-CB 4.48Å; L113-T115 HydrophobicContact CD2-CG2 4.27Å; L113-W125 PolarHBondContact N-O 3.11Å; L113-W125 PolarHBondContact O-N 2.66Å; L113-V127 HydrophobicContact CB-CG2 3.77Å; L113-V127 HydrophobicContact CD2-CG2 4.48Å |
| 114 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.2 | 163.8 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | L104 A105 A122 K123 F124 V146 F148 F156 | L104-V114 WeakPolarHBondContact CA-O 3.22Å; A105-V114 PolarHBondContact N-O 3.06Å; A105-V114 PolarHBondContact O-N 2.85Å; V114-A122 HydrophobicContact CG1-CB 3.98Å; V114-K123 VanDerWaalsContact CA-O 3.29Å; V114-K123 WeakPolarHBondContact CA-O 3.28Å; V114-F124 HydrophobicContact CG2-CB 4.21Å; V114-F124 HydrophobicContact CG2-CD2 3.59Å; V114-F124 HydrophobicContact CG2-CE2 4.34Å; V114-F124 HydrophobicContact CG2-CG 4.21Å; V114-V146 HydrophobicContact CB-CG2 4.2Å; V114-V146 HydrophobicContact CG1-CG2 3.82Å; V114-F148 HydrophobicContact CB-CE2 4.06Å; V114-F148 HydrophobicContact CB-CZ 4.49Å; V114-F148 HydrophobicContact CG2-CE2 3.58Å; V114-F148 HydrophobicContact CG2-CZ 3.53Å; V114-F156 HydrophobicContact CG1-CD2 4.4Å; V114-F156 HydrophobicContact CG1-CE2 3.91Å; V114-F156 HydrophobicContact CG1-CZ 4.28Å; V114-F156 HydrophobicContact CG2-CD1 4.42Å; V114-F156 HydrophobicContact CG2-CE1 4.16Å; V114-F156 HydrophobicContact CG2-CE2 4.29Å; V114-F156 HydrophobicContact CG2-CZ 4.08Å |
| 115 | T | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.5 | 174 | 53.8 | 0 | 0 | 0 | 0 | 109.2 | V76 A96 H97 L104 L113 A122 K123 W125 | V76-T115 HydrophobicContact CG2-CG2 3.67Å; A96-T115 HydrophobicContact CB-CG2 4.3Å; H97-T115 PolarHBondContact CD2-OG1 2.84Å; H97-T115 PolarHBondContact NE2-OG1 2.7Å; L104-T115 HydrophobicContact CD2-CG2 3.64Å; L113-T115 HydrophobicContact CD2-CG2 4.27Å; T115-A122 CarbonylContact O-C 3.58Å; T115-A122 WeakPolarHBondContact O-CA 3.27Å; T115-A122 WeakPolarHBondContact O-CB 3.23Å; T115-K123 PolarHBondContact N-O 2.72Å; T115-K123 PolarHBondContact O-N 3.03Å; T115-K123 PolarHBondContact OG1-O 2.79Å; T115-W125 PolarHBondContact OG1-NE1 2.74Å |
| 116 | A | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | F102 D103 L143 V146 | F102-A116 PolarHBondContact N-O 3.34Å; D103-A116 HydrophobicContact CB-CB 4.43Å; D103-A116 PolarHBondContact N-O 3.17Å; D103-A116 PolarHBondContact O-N 2.71Å; A116-L143 HydrophobicContact CB-CB 3.95Å; A116-L143 HydrophobicContact CB-CD1 3.89Å; A116-V146 HydrophobicContact CB-CB 3.94Å; A116-V146 HydrophobicContact CB-CG1 3.81Å |
| 117 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 167.4 | -161 | 0 | 0 | 0 | 0 | 0 | 116.9 | H97 A100 V101 D119 Q120 T121 L143 | H97-A117 HydrophobicContact CB-CB 3.8Å; H97-A117 VanDerWaalsContact ND1-CB 3.26Å; H97-A117 WeakPolarHBondContact ND1-CB 3.44Å; A100-A117 CarbonylContact O-C 3.5Å; A100-A117 VanDerWaalsContact O-CA 3.26Å; A100-A117 WeakPolarHBondContact O-CA 3.42Å; A100-A117 WeakPolarHBondContact O-CB 3.38Å; V101-A117 HydrophobicContact CG2-CB 4.11Å; A117-D119 PolarHBondContact O-N 3.44Å; A117-Q120 PolarHBondContact O-N 2.81Å; A117-T121 PolarHBondContact N-O 3.46Å; A117-L143 PolarHBondContact O-N 3.14Å |
| 118 | G | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N99 A100 Q120 S142 | N99-G118 PolarHBondContact ND2-O 2.88Å; N99-G118 VanDerWaalsContact ND2-O 3.16Å; A100-G118 PolarHBondContact O-N 2.95Å; G118-Q120 PolarHBondContact O-N 2.85Å; G118-S142 PolarHBondContact O-OG 2.76Å |
| 119 | D | 95.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 32.7 Ų | 32.7 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 13.2 | 177.3 | 74.3 | 7.7 | 0 | 0 | 0 | 114.2 | H97 N99 A117 T121 | H97-D119 WeakPolarHBondContact CB-OD2 3.42Å; H97-D119 IonicContact CE1-OD1 3.25Å; H97-D119 IonicContact CE1-OD2 2.64Å; H97-D119 IonicContact CG-OD2 3.45Å; H97-D119 IonicContact ND1-OD1 2.69Å; H97-D119 PolarHBondContact ND1-OD1 3.28Å; H97-D119 IonicContact ND1-OD2 3.28Å; H97-D119 PolarHBondContact ND1-OD2 3.49Å; N99-D119 HydrophobicContact CB-CB 4.04Å; A117-D119 PolarHBondContact O-N 3.44Å; D119-T121 PolarHBondContact O-N 3.15Å; D119-T121 WeakPolarHBondContact OD1-CB 3.37Å; D119-T121 PolarHBondContact OD1-N 2.99Å; D119-T121 PolarHBondContact OD1-OG1 2.95Å |
| 120 | Q | 95.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 33.1 Ų | 33.1 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 69 | 6.9 | 178.5 | -37.8 | 178.5 | 16.1 | 0 | 0 | 114.1 | A117 G118 Q140 C141 | A117-Q120 PolarHBondContact O-N 2.81Å; G118-Q120 PolarHBondContact O-N 2.85Å; Q120-Q140 VanDerWaalsContact OE1-C 3.26Å; Q120-Q140 PolarHBondContact OE1-O 3.25Å; Q120-C141 WeakPolarHBondContact CA-O 3.36Å |
| 121 | T | 96.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | trans | -114.6 | 153.8 | 177.6 | 74.8 | 0 | 0 | 0 | 0 | 112.2 | H97 A117 D119 T135 K137 L143 | H97-T121 PolarHBondContact CE1-O 3.39Å; H97-T121 PolarHBondContact CE1-OG1 3.13Å; H97-T121 VanDerWaalsContact CE1-OG1 3.29Å; H97-T121 PolarHBondContact ND1-OG1 3.2Å; A117-T121 PolarHBondContact N-O 3.46Å; D119-T121 PolarHBondContact O-N 3.15Å; D119-T121 WeakPolarHBondContact OD1-CB 3.37Å; D119-T121 PolarHBondContact OD1-N 2.99Å; D119-T121 PolarHBondContact OD1-OG1 2.95Å; T121-T135 HydrophobicContact CG2-CG2 3.92Å; T121-K137 HydrophobicContact CG2-CG 4.1Å; T121-L143 VanDerWaalsContact C-CD1 3.48Å; T121-L143 WeakPolarHBondContact O-CD1 3.22Å | ||
| 122 | A | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 148.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V114 T115 C136 L143 T158 | V114-A122 HydrophobicContact CG1-CB 3.98Å; T115-A122 CarbonylContact O-C 3.58Å; T115-A122 WeakPolarHBondContact O-CA 3.27Å; T115-A122 WeakPolarHBondContact O-CB 3.23Å; A122-C136 HydrophobicContact CB-CB 4.1Å; A122-C136 PolarHBondContact N-O 2.93Å; A122-C136 WeakPolarHBondContact O-CB 3.5Å; A122-C136 PolarHBondContact O-N 3.33Å; A122-L143 HydrophobicContact CB-CD1 3.66Å; A122-T158 HydrophobicContact CB-CG2 4.12Å |
| 123 | K | 97.3 | Very high | 95.6 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.6 | 177 | -72.3 | 176.2 | -167.9 | 174.2 | 0 | 110.5 | A96 V114 T115 W125 L132 T135 | A96-K123 VanDerWaalsContact O-CD 3.24Å; A96-K123 WeakPolarHBondContact O-CD 3.46Å; A96-K123 PolarHBondContact O-NZ 3.19Å; V114-K123 VanDerWaalsContact CA-O 3.29Å; V114-K123 WeakPolarHBondContact CA-O 3.28Å; T115-K123 PolarHBondContact N-O 2.72Å; T115-K123 PolarHBondContact O-N 3.03Å; T115-K123 PolarHBondContact OG1-O 2.79Å; K123-W125 HydrophobicContact CB-CZ2 3.95Å; K123-W125 HydrophobicContact CD-CZ2 3.76Å; K123-W125 HydrophobicContact CG-CZ2 4.5Å; K123-W125 VanDerWaalsContact O-CD1 3.3Å; K123-W125 PolarHBondContact O-NE1 3.04Å; K123-L132 HydrophobicContact CB-CD1 3.7Å; K123-L132 HydrophobicContact CD-CD1 4.08Å; K123-L132 HydrophobicContact CG-CD1 3.95Å; K123-T135 HydrophobicContact CG-CG2 4Å |
| 124 | F | 96.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126 | -179.2 | -177.8 | -144.1 | 0 | 0 | 0 | 109.3 | V107 K112 V114 I133 G134 T170 Y179 | V107-F124 HydrophobicContact CG2-CE2 3.58Å; V107-F124 HydrophobicContact CG2-CZ 4.05Å; K112-F124 HydrophobicContact CB-CE2 3.86Å; K112-F124 HydrophobicContact CB-CZ 4.34Å; K112-F124 HydrophobicContact CD-CE2 4.36Å; K112-F124 HydrophobicContact CD-CZ 3.99Å; V114-F124 HydrophobicContact CG2-CB 4.21Å; V114-F124 HydrophobicContact CG2-CD2 3.59Å; V114-F124 HydrophobicContact CG2-CE2 4.34Å; V114-F124 HydrophobicContact CG2-CG 4.21Å; F124-I133 HydrophobicContact CB-CB 4.49Å; F124-I133 HydrophobicContact CD1-CB 3.77Å; F124-I133 HydrophobicContact CD1-CD1 3.76Å; F124-I133 HydrophobicContact CD1-CG1 4.38Å; F124-I133 HydrophobicContact CD1-CG2 3.61Å; F124-I133 HydrophobicContact CD2-CD1 4.22Å; F124-I133 HydrophobicContact CE1-CB 4.29Å; F124-I133 HydrophobicContact CE1-CD1 3.57Å; F124-I133 HydrophobicContact CE1-CG2 3.91Å; F124-I133 HydrophobicContact CE2-CD1 4.05Å; F124-I133 HydrophobicContact CG-CB 4.21Å; F124-I133 HydrophobicContact CG-CD1 4.09Å; F124-I133 HydrophobicContact CZ-CD1 3.72Å; F124-I133 WeakPolarHBondContact O-CA 3.15Å; F124-I133 WeakPolarHBondContact O-CB 3.34Å; F124-I133 PolarHBondContact O-N 3.49Å; F124-G134 PolarHBondContact N-O 2.92Å; F124-G134 PolarHBondContact O-N 2.93Å; F124-T170 HydrophobicContact CD1-CG2 3.89Å; F124-T170 HydrophobicContact CE1-CG2 3.57Å; F124-T170 HydrophobicContact CZ-CG2 4.07Å; F124-Y179 HydrophobicContact CD1-CE2 4.2Å |
| 125 | W | 96.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.9 | -169.1 | -56.7 | 89.5 | 0 | 0 | 0 | 111.4 | W94 A96 K112 L113 T115 K123 E131 L132 | W94-W125 AromaticContact CD1-CH2 3.67Å; W94-W125 AromaticContact CD1-CZ3 3.64Å; W94-W125 HydrophobicContact CZ2-CG 4.45Å; W94-W125 AromaticContact NE1-CD2 3.53Å; W94-W125 AromaticContact NE1-CE2 3.61Å; W94-W125 AromaticContact NE1-CE3 3.5Å; W94-W125 AromaticContact NE1-CH2 3.67Å; W94-W125 AromaticContact NE1-CZ2 3.71Å; W94-W125 AromaticContact NE1-CZ3 3.56Å; A96-W125 HydrophobicContact CB-CH2 4.35Å; A96-W125 HydrophobicContact CB-CZ2 3.61Å; A96-W125 WeakPolarHBondContact O-CZ2 3.21Å; K112-W125 VanDerWaalsContact CA-O 3.25Å; K112-W125 WeakPolarHBondContact CA-O 3.23Å; K112-W125 WeakPolarHBondContact CB-O 3.33Å; L113-W125 PolarHBondContact N-O 3.11Å; L113-W125 PolarHBondContact O-N 2.66Å; T115-W125 PolarHBondContact OG1-NE1 2.74Å; K123-W125 HydrophobicContact CB-CZ2 3.95Å; K123-W125 HydrophobicContact CD-CZ2 3.76Å; K123-W125 HydrophobicContact CG-CZ2 4.5Å; K123-W125 VanDerWaalsContact O-CD1 3.3Å; K123-W125 PolarHBondContact O-NE1 3.04Å; W125-E131 WeakPolarHBondContact CA-O 3.45Å; W125-L132 HydrophobicContact CD2-CD1 4.1Å; W125-L132 HydrophobicContact CE3-CB 3.97Å; W125-L132 HydrophobicContact CE3-CD1 4.2Å; W125-L132 HydrophobicContact CH2-CB 4.21Å; W125-L132 HydrophobicContact CH2-CD1 4.06Å; W125-L132 HydrophobicContact CZ2-CD1 3.94Å; W125-L132 HydrophobicContact CZ3-CB 3.72Å; W125-L132 HydrophobicContact CZ3-CD1 4.19Å; W125-L132 HydrophobicContact CZ3-CG 4.47Å |
| 126 | D | 94.9 | Very high | 95.1 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.5 | 160.7 | -166.1 | -69.2 | 0 | 0 | 0 | 107.8 | K112 K128 A129 G130 E131 I133 | K112-D126 WeakPolarHBondContact CE-OD2 3.06Å; D126-K128 VanDerWaalsContact C-N 3.33Å; D126-K128 WeakPolarHBondContact OD1-CA 3.23Å; D126-K128 WeakPolarHBondContact OD1-CB 3.49Å; D126-K128 PolarHBondContact OD1-N 3.28Å; D126-A129 HydrophobicContact CB-CB 4.17Å; D126-A129 PolarHBondContact OD1-N 2.84Å; D126-G130 VanDerWaalsContact O-CA 3.28Å; D126-G130 WeakPolarHBondContact O-CA 3.33Å; D126-G130 PolarHBondContact O-N 3.34Å; D126-E131 PolarHBondContact N-O 3.11Å; D126-E131 PolarHBondContact O-N 3.02Å; D126-I133 HydrophobicContact CB-CD1 3.94Å; D126-I133 HydrophobicContact CB-CG1 3.99Å |
| 127 | V | 94.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -25.9 | -175.4 | 163.6 | 0 | 0 | 0 | 0 | 111.3 | L78 K92 W94 W106 L111 L113 | L78-V127 HydrophobicContact CD1-CG1 3.29Å; K92-V127 PolarHBondContact NZ-O 3.42Å; W94-V127 HydrophobicContact CH2-CG2 4.14Å; W106-V127 HydrophobicContact CH2-CB 4.45Å; W106-V127 HydrophobicContact CH2-CG1 4.05Å; W106-V127 HydrophobicContact CH2-CG2 4.25Å; W106-V127 HydrophobicContact CZ3-CB 4.05Å; W106-V127 HydrophobicContact CZ3-CG1 4.09Å; W106-V127 HydrophobicContact CZ3-CG2 3.89Å; L111-V127 HydrophobicContact CD1-CG1 4.44Å; L111-V127 HydrophobicContact CD2-CG1 4.13Å; L111-V127 HydrophobicContact CG-CB 4.09Å; L111-V127 HydrophobicContact CG-CG1 3.89Å; L111-V127 WeakPolarHBondContact O-CB 3.42Å; L111-V127 PolarHBondContact O-N 2.86Å; L113-V127 HydrophobicContact CB-CG2 3.77Å; L113-V127 HydrophobicContact CD2-CG2 4.48Å |
| 128 | K | 90.6 | Very high | 94.6 | Very high | 177 Ų | 177 | 45.6 Ų | 45.6 | 77% | 0.77 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -54.7 | 175 | -170.1 | 178.6 | 179 | -179.8 | 0 | 110.2 | K92 L111 D126 | K92-K128 PolarHBondContact NZ-O 2.98Å; L111-K128 HydrophobicContact CD2-CB 4.19Å; D126-K128 VanDerWaalsContact C-N 3.33Å; D126-K128 WeakPolarHBondContact OD1-CA 3.23Å; D126-K128 WeakPolarHBondContact OD1-CB 3.49Å; D126-K128 PolarHBondContact OD1-N 3.28Å |
| 129 | A | 92.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 46 Ų | 46 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D126 E131 | D126-A129 HydrophobicContact CB-CB 4.17Å; D126-A129 PolarHBondContact OD1-N 2.84Å; A129-E131 HydrophobicContact CB-CB 4.22Å; A129-E131 HydrophobicContact CB-CG 3.87Å |
| 130 | G | 90 | Very high | 94.3 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 20.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K92 D126 | K92-G130 VanDerWaalsContact NZ-N 3.18Å; D126-G130 VanDerWaalsContact O-CA 3.28Å; D126-G130 WeakPolarHBondContact O-CA 3.33Å; D126-G130 PolarHBondContact O-N 3.34Å |
| 131 | E | 93.3 | Very high | 94.2 | Very high | 135 Ų | 135 | 45.1 Ų | 45.1 | 63% | 0.631 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.6 | -172.6 | -66.7 | -176.2 | 159.9 | 0 | 0 | 112 | W125 D126 A129 I133 | W125-E131 WeakPolarHBondContact CA-O 3.45Å; D126-E131 PolarHBondContact N-O 3.11Å; D126-E131 PolarHBondContact O-N 3.02Å; A129-E131 HydrophobicContact CB-CB 4.22Å; A129-E131 HydrophobicContact CB-CG 3.87Å; E131-I133 PolarHBondContact O-N 3.24Å |
| 132 | L | 94.9 | Very high | 94.1 | Very high | 78 Ų | 78 | 45.2 Ų | 45.2 | 41% | 0.408 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 101.8 | 168.9 | 177.8 | 61 | 0 | 0 | 0 | 109 | K123 W125 G134 | K123-L132 HydrophobicContact CB-CD1 3.7Å; K123-L132 HydrophobicContact CD-CD1 4.08Å; K123-L132 HydrophobicContact CG-CD1 3.95Å; W125-L132 HydrophobicContact CD2-CD1 4.1Å; W125-L132 HydrophobicContact CE3-CB 3.97Å; W125-L132 HydrophobicContact CE3-CD1 4.2Å; W125-L132 HydrophobicContact CH2-CB 4.21Å; W125-L132 HydrophobicContact CH2-CD1 4.06Å; W125-L132 HydrophobicContact CZ2-CD1 3.94Å; W125-L132 HydrophobicContact CZ3-CB 3.72Å; W125-L132 HydrophobicContact CZ3-CD1 4.19Å; W125-L132 HydrophobicContact CZ3-CG 4.47Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 WeakPolarHBondContact CD1-O 3.17Å; L132-G134 PolarHBondContact O-N 3.01Å |
| 133 | I | 93.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | -42.9 | 174.9 | -58.6 | 167.6 | 0 | 0 | 0 | 109.6 | K112 F124 D126 E131 K174 | K112-I133 HydrophobicContact CD-CD1 4.12Å; K112-I133 HydrophobicContact CG-CD1 4.44Å; F124-I133 HydrophobicContact CB-CB 4.49Å; F124-I133 HydrophobicContact CD1-CB 3.77Å; F124-I133 HydrophobicContact CD1-CD1 3.76Å; F124-I133 HydrophobicContact CD1-CG1 4.38Å; F124-I133 HydrophobicContact CD1-CG2 3.61Å; F124-I133 HydrophobicContact CD2-CD1 4.22Å; F124-I133 HydrophobicContact CE1-CB 4.29Å; F124-I133 HydrophobicContact CE1-CD1 3.57Å; F124-I133 HydrophobicContact CE1-CG2 3.91Å; F124-I133 HydrophobicContact CE2-CD1 4.05Å; F124-I133 HydrophobicContact CG-CB 4.21Å; F124-I133 HydrophobicContact CG-CD1 4.09Å; F124-I133 HydrophobicContact CZ-CD1 3.72Å; F124-I133 WeakPolarHBondContact O-CA 3.15Å; F124-I133 WeakPolarHBondContact O-CB 3.34Å; F124-I133 PolarHBondContact O-N 3.49Å; D126-I133 HydrophobicContact CB-CD1 3.94Å; D126-I133 HydrophobicContact CB-CG1 3.99Å; E131-I133 PolarHBondContact O-N 3.24Å; I133-K174 VanDerWaalsContact O-CE 3.28Å; I133-K174 WeakPolarHBondContact O-CE 3.38Å; I133-K174 PolarHBondContact O-NZ 2.73Å |
| 134 | G | 93.2 | Very high | 94 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 165.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F124 L132 | F124-G134 PolarHBondContact N-O 2.92Å; F124-G134 PolarHBondContact O-N 2.93Å; L132-G134 VanDerWaalsContact C-N 3.31Å; L132-G134 WeakPolarHBondContact CD1-O 3.17Å; L132-G134 PolarHBondContact O-N 3.01Å |
| 135 | T | 95.3 | Very high | 94 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.9 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | T121 K123 K137 F178 Y179 | T121-T135 HydrophobicContact CG2-CG2 3.92Å; K123-T135 HydrophobicContact CG-CG2 4Å; T135-K137 HydrophobicContact CG2-CG 4.28Å; T135-F178 HydrophobicContact CG2-CD1 4.2Å; T135-F178 HydrophobicContact CG2-CE1 4.31Å; T135-F178 CarbonylContact O-C 3.48Å; T135-F178 VanDerWaalsContact O-CA 3.32Å; T135-F178 WeakPolarHBondContact O-CA 3.38Å; T135-Y179 PolarHBondContact O-N 3.04Å |
| 136 | C | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.7 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 109.4 | A122 W168 | A122-C136 HydrophobicContact CB-CB 4.1Å; A122-C136 PolarHBondContact N-O 2.93Å; A122-C136 WeakPolarHBondContact O-CB 3.5Å; A122-C136 PolarHBondContact O-N 3.33Å; C136-W168 HydrophobicContact CB-CD2 4.08Å; C136-W168 HydrophobicContact CB-CE3 3.78Å; C136-W168 HydrophobicContact CB-CH2 3.83Å; C136-W168 HydrophobicContact CB-CZ2 4.1Å; C136-W168 HydrophobicContact CB-CZ3 3.64Å |
| 137 | K | 93.3 | Very high | 94.2 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | trans | -126.6 | 135.6 | -179.4 | -72.3 | -173.8 | 173.4 | 174.2 | 0 | 110.8 | T121 T135 F178 Y179 | T121-K137 HydrophobicContact CG2-CG 4.1Å; T135-K137 HydrophobicContact CG2-CG 4.28Å; K137-F178 HydrophobicContact CD-CD1 3.56Å; K137-F178 HydrophobicContact CD-CD2 4.45Å; K137-F178 HydrophobicContact CD-CE1 3.83Å; K137-F178 HydrophobicContact CD-CG 3.93Å; K137-F178 HydrophobicContact CD-CZ 4.39Å; K137-F178 HydrophobicContact CG-CD1 3.95Å; K137-F178 HydrophobicContact CG-CG 4.43Å; K137-F178 VanDerWaalsContact NZ-CE1 3.25Å; K137-Y179 PolarHBondContact N-O 3.34Å; K137-Y179 VanDerWaalsContact N-O 3.11Å | ||
| 138 | G | 91.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 44 Ų | 44 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | trans | 171.2 | -38.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M166 | G138-M166 WeakPolarHBondContact O-CE 3.41Š| ||
| 139 | H | 94.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.06 | 21% | 0.207 | C | C | . | . | trans | -64.5 | 152.3 | 174.7 | -73.7 | -93.5 | 0 | 0 | 0 | 112.1 | L143 T158 D162 N164 M166 | H139-L143 HydrophobicContact CB-CD2 3.64Å; H139-L143 WeakPolarHBondContact CD2-CD2 3.32Å; H139-T158 PolarHBondContact NE2-O 2.86Å; H139-T158 PolarHBondContact NE2-OG1 2.81Å; H139-D162 WeakPolarHBondContact CA-OD2 3.41Å; H139-D162 WeakPolarHBondContact CB-OD2 3.39Å; H139-D162 IonicContact CE1-OD1 3.41Å; H139-D162 IonicContact CG-OD1 2.94Å; H139-D162 IonicContact CG-OD2 3.19Å; H139-D162 IonicContact ND1-OD1 3.8Å; H139-D162 PolarHBondContact ND1-OD1 2.85Å; H139-D162 IonicContact ND1-OD2 3.84Å; H139-D162 PolarHBondContact ND1-OD2 2.87Å; H139-N164 PolarHBondContact CE1-O 3.07Å; H139-M166 HydrophobicContact CB-CE 4.37Å; H139-M166 VanDerWaalsContact CD2-SD 3.57Å; H139-M166 WeakPolarHBondContact NE2-CG 3.42Å | ||
| 140 | Q | 93.3 | Very high | 94.5 | Very high | 111 Ų | 111 | 38.2 Ų | 38.2 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -106.1 | 0.4 | -177.7 | -57.7 | -177.1 | 1.8 | 0 | 0 | 113 | Q120 D162 | Q120-Q140 VanDerWaalsContact OE1-C 3.26Å; Q120-Q140 PolarHBondContact OE1-O 3.25Å; Q140-D162 HydrophobicContact CB-CB 4.15Å; Q140-D162 PolarHBondContact N-OD2 3.35Å |
| 141 | C | 93.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -148.6 | 169.9 | -176 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | Q120 L143 R161 D162 V213 | Q120-C141 WeakPolarHBondContact CA-O 3.36Å; C141-L143 PolarHBondContact O-N 3.38Å; C141-R161 HydrophobicContact CB-CB 3.96Å; C141-R161 HydrophobicContact CB-CG 4.45Å; C141-D162 HydrophobicContact CB-CB 3.78Å; C141-V213 VanDerWaalsContact SG-CG1 3.5Å; C141-V213 WeakPolarHBondContact SG-CG2 3.24Å |
| 142 | S | 94.7 | Very high | 94.4 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | trans | -48 | 132.4 | 172.2 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | G118 R161 | G118-S142 PolarHBondContact O-OG 2.76Å; S142-R161 PolarHBondContact O-N 2.87Å | ||
| 143 | L | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.9 | 169.9 | -52.9 | -170.7 | 0 | 0 | 0 | 109.9 | F102 A116 A117 T121 A122 H139 C141 T158 | F102-L143 WeakPolarHBondContact CD2-O 3.36Å; A116-L143 HydrophobicContact CB-CB 3.95Å; A116-L143 HydrophobicContact CB-CD1 3.89Å; A117-L143 PolarHBondContact O-N 3.14Å; T121-L143 VanDerWaalsContact C-CD1 3.48Å; T121-L143 WeakPolarHBondContact O-CD1 3.22Å; A122-L143 HydrophobicContact CB-CD1 3.66Å; H139-L143 HydrophobicContact CB-CD2 3.64Å; H139-L143 WeakPolarHBondContact CD2-CD2 3.32Å; C141-L143 PolarHBondContact O-N 3.38Å; L143-T158 HydrophobicContact CD1-CG2 4.15Å |
| 144 | K | 95.6 | Very high | 94.3 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 17% | 0.165 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | -28.7 | 179.1 | -75.1 | -59.1 | -166.5 | 177.6 | 0 | 114.4 | F102 G159 Y320 | F102-K144 HydrophobicContact CB-CD 4.48Å; F102-K144 HydrophobicContact CD2-CD 4.32Å; F102-K144 HydrophobicContact CG-CD 4.2Å; K144-G159 PolarHBondContact N-O 2.92Å; K144-Y320 PolarHBondContact NZ-OH 3.07Å |
| 145 | S | 97.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 150.5 | 176.8 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | D103 T158 G159 T220 V222 | D103-S145 WeakPolarHBondContact OD2-CA 3.33Å; D103-S145 PolarHBondContact OD2-OG 3.48Å; S145-T158 WeakPolarHBondContact O-CA 3.25Å; S145-G159 PolarHBondContact N-O 3.28Å; S145-G159 PolarHBondContact O-N 3.35Å; S145-T220 VanDerWaalsContact CB-O 3.26Å; S145-T220 WeakPolarHBondContact CB-O 3.41Å; S145-V222 PolarHBondContact OG-N 2.72Å |
| 146 | V | 98.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.4 | 172.4 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | D103 A105 V114 A116 F156 C157 T158 | D103-V146 HydrophobicContact CB-CG1 4.09Å; D103-V146 PolarHBondContact OD2-N 3.25Å; A105-V146 HydrophobicContact CB-CG1 3.93Å; A105-V146 HydrophobicContact CB-CG2 4.25Å; V114-V146 HydrophobicContact CB-CG2 4.2Å; V114-V146 HydrophobicContact CG1-CG2 3.82Å; A116-V146 HydrophobicContact CB-CB 3.94Å; A116-V146 HydrophobicContact CB-CG1 3.81Å; V146-F156 HydrophobicContact CG2-CD2 3.92Å; V146-F156 HydrophobicContact CG2-CE2 4.48Å; V146-C157 WeakPolarHBondContact CA-O 3.36Å; V146-C157 WeakPolarHBondContact CG2-O 3.43Å; V146-T158 HydrophobicContact CB-CG2 4.14Å; V146-T158 HydrophobicContact CG2-CG2 3.99Å |
| 147 | A | 97.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F156 C157 V222 L223 F224 | A147-F156 CarbonylContact O-C 3.56Å; A147-F156 VanDerWaalsContact O-CA 3.23Å; A147-F156 WeakPolarHBondContact O-CA 2.99Å; A147-F156 VanDerWaalsContact O-CB 3.28Å; A147-F156 WeakPolarHBondContact O-CB 3.26Å; A147-C157 PolarHBondContact N-O 3.09Å; A147-C157 PolarHBondContact O-N 3.02Å; A147-V222 VanDerWaalsContact CB-O 3.31Å; A147-V222 WeakPolarHBondContact CB-O 3.19Å; A147-L223 HydrophobicContact CB-CD2 4.27Å; A147-F224 WeakPolarHBondContact O-CE2 3.42Å |
| 148 | F | 97.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 153.2 | 170 | -88.2 | -87.5 | 0 | 0 | 0 | 111.7 | A105 W106 V107 P108 V114 K153 V155 F156 F224 | A105-F148 HydrophobicContact CB-CD2 3.85Å; A105-F148 HydrophobicContact CB-CE2 4.31Å; W106-F148 VanDerWaalsContact O-CD2 3.3Å; W106-F148 WeakPolarHBondContact O-CD2 3.36Å; V107-F148 HydrophobicContact CB-CE1 4.48Å; V107-F148 HydrophobicContact CB-CZ 4.43Å; V107-F148 HydrophobicContact CG2-CE1 3.78Å; V107-F148 HydrophobicContact CG2-CE2 4.04Å; V107-F148 HydrophobicContact CG2-CZ 3.49Å; V107-F148 VanDerWaalsContact CG2-CZ 3.49Å; P108-F148 HydrophobicContact CG-CB 4.06Å; V114-F148 HydrophobicContact CB-CE2 4.06Å; V114-F148 HydrophobicContact CB-CZ 4.49Å; V114-F148 HydrophobicContact CG2-CE2 3.58Å; V114-F148 HydrophobicContact CG2-CZ 3.53Å; F148-K153 WeakPolarHBondContact CE1-O 3.38Å; F148-V155 WeakPolarHBondContact CD1-O 3.28Å; F148-F156 HydrophobicContact CD1-CB 3.72Å; F148-F156 HydrophobicContact CD2-CB 4.14Å; F148-F156 HydrophobicContact CE1-CB 3.78Å; F148-F156 AromaticContact CE1-CD1 3.78Å; F148-F156 HydrophobicContact CE1-CD1 3.78Å; F148-F156 HydrophobicContact CE1-CG 4.13Å; F148-F156 HydrophobicContact CE2-CB 4.2Å; F148-F156 HydrophobicContact CE2-CG 4.47Å; F148-F156 HydrophobicContact CG-CB 3.89Å; F148-F156 HydrophobicContact CZ-CB 4.01Å; F148-F156 AromaticContact CZ-CD1 3.81Å; F148-F156 HydrophobicContact CZ-CD1 3.81Å; F148-F156 HydrophobicContact CZ-CG 4.07Å; F148-F224 WeakPolarHBondContact O-CD2 3.48Å |
| 149 | S | 94.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -69.8 | 131.2 | 163.8 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | F151 E152 V155 | S149-F151 PolarHBondContact O-N 3.49Å; S149-F151 PolarHBondContact OG-N 2.89Å; S149-E152 PolarHBondContact OG-N 3.29Å; S149-V155 PolarHBondContact N-O 3Å | ||
| 150 | K | 89.7 | Confident | 95.2 | Very high | 112 Ų | 112 | 30.3 Ų | 30.3 | 49% | 0.487 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -63.2 | -17.5 | 171.6 | -68.3 | -178.3 | 178.5 | 177.1 | 0 | 112.7 | D280 S281 | K150-D280 PolarHBondContact NZ-O 3.02Å; K150-S281 PolarHBondContact NZ-O 3.11Å |
| 151 | F | 88.4 | Confident | 95.2 | Very high | 115 Ų | 115 | 28.1 Ų | 28.1 | 50% | 0.504 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -105.7 | -36.2 | -169.1 | -58.9 | -98.2 | 0 | 0 | 0 | 112.8 | S149 D226 E227 | S149-F151 PolarHBondContact O-N 3.49Å; S149-F151 PolarHBondContact OG-N 2.89Å; F151-D226 HydrophobicContact CE2-CB 4.38Å; F151-D226 HydrophobicContact CZ-CB 4.5Å; F151-E227 HydrophobicContact CB-CG 3.5Å; F151-E227 VanDerWaalsContact CB-CG 3.5Å; F151-E227 HydrophobicContact CD1-CG 3.93Å; F151-E227 HydrophobicContact CD2-CG 4.27Å; F151-E227 HydrophobicContact CG-CG 3.64Å |
| 152 | E | 92.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 28.3 Ų | 28.3 | 31% | 0.308 | 13% | 0.133 | S | C | . | . | trans | -125.1 | 102.9 | -177.7 | 172.5 | 55.4 | -88.9 | 0 | 0 | 109.6 | S149 A154 V155 R171 | S149-E152 PolarHBondContact OG-N 3.29Å; E152-A154 HydrophobicContact CG-CB 4.28Å; E152-A154 PolarHBondContact O-N 3.18Å; E152-A154 VanDerWaalsContact O-N 3.15Å; E152-A154 WeakPolarHBondContact OE1-CB 3.26Å; E152-A154 PolarHBondContact OE1-N 3.24Å; E152-V155 HydrophobicContact CB-CB 4.29Å; E152-V155 HydrophobicContact CB-CG2 4.46Å; E152-V155 HydrophobicContact CG-CB 3.8Å; E152-V155 HydrophobicContact CG-CG2 3.54Å; E152-V155 PolarHBondContact O-N 3.14Å; E152-R171 VanDerWaalsContact CD-NH1 3.33Å; E152-R171 VanDerWaalsContact CD-NH2 3.34Å; E152-R171 IonicContact OE1-CZ 3.67Å; E152-R171 IonicContact OE1-NH1 3.66Å; E152-R171 IonicContact OE2-CZ 3.95Å; E152-R171 IonicContact OE2-NH1 3.88Å; E152-R171 PolarHBondContact OE2-NH1 2.86Å; E152-R171 IonicContact OE2-NH2 2.87Å; E152-R171 PolarHBondContact OE2-NH2 3.14Å | ||
| 153 | K | 93.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 27.5 Ų | 27.5 | 37% | 0.374 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.1 | -178.1 | -60.3 | -168.8 | -179.2 | -150.9 | 0 | 113.4 | V107 P108 E110 F148 V155 | V107-K153 HydrophobicContact CG1-CB 4Å; V107-K153 HydrophobicContact CG1-CD 4.46Å; P108-K153 HydrophobicContact CB-CG 4.48Å; P108-K153 VanDerWaalsContact O-CD 3.26Å; P108-K153 WeakPolarHBondContact O-CD 3.3Å; P108-K153 WeakPolarHBondContact O-CE 3.41Å; P108-K153 PolarHBondContact O-NZ 2.91Å; E110-K153 HydrophobicContact CG-CD 4.49Å; E110-K153 VanDerWaalsContact OE1-CD 3.26Å; E110-K153 WeakPolarHBondContact OE1-CD 3.35Å; E110-K153 IonicContact OE1-NZ 2.7Å; F148-K153 WeakPolarHBondContact CE1-O 3.38Å; K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 PolarHBondContact O-N 3.21Å |
| 154 | A | 94 | Very high | 94.7 | Very high | 8 Ų | 8 | 28 Ų | 28 | 7% | 0.066 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E152 D169 T170 R171 | E152-A154 HydrophobicContact CG-CB 4.28Å; E152-A154 PolarHBondContact O-N 3.18Å; E152-A154 VanDerWaalsContact O-N 3.15Å; E152-A154 WeakPolarHBondContact OE1-CB 3.26Å; E152-A154 PolarHBondContact OE1-N 3.24Å; A154-D169 CarbonylContact O-C 3.58Å; A154-D169 WeakPolarHBondContact O-CA 3.23Å; A154-T170 WeakPolarHBondContact CA-OG1 3.35Å; A154-T170 PolarHBondContact O-N 3.04Å; A154-T170 PolarHBondContact O-OG1 2.94Å; A154-R171 HydrophobicContact CB-CG 3.91Å |
| 155 | V | 95.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 26.2 Ų | 26.2 | 14% | 0.139 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.8 | -168.7 | 171.6 | 0 | 0 | 0 | 0 | 112 | F148 S149 E152 K153 V167 W168 D169 F224 | F148-V155 WeakPolarHBondContact CD1-O 3.28Å; S149-V155 PolarHBondContact N-O 3Å; E152-V155 HydrophobicContact CB-CB 4.29Å; E152-V155 HydrophobicContact CB-CG2 4.46Å; E152-V155 HydrophobicContact CG-CB 3.8Å; E152-V155 HydrophobicContact CG-CG2 3.54Å; E152-V155 PolarHBondContact O-N 3.14Å; K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 PolarHBondContact O-N 3.21Å; V155-V167 HydrophobicContact CG1-CG1 3.94Å; V155-W168 WeakPolarHBondContact CA-O 3.38Å; V155-D169 HydrophobicContact CG2-CB 4.06Å; V155-F224 HydrophobicContact CG1-CE1 4.16Å; V155-F224 HydrophobicContact CG1-CZ 3.81Å |
| 156 | F | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 168.2 | 173.6 | 68.6 | -87.1 | 0 | 0 | 0 | 111.3 | V114 V146 A147 F148 T158 W168 T170 | V114-F156 HydrophobicContact CG1-CD2 4.4Å; V114-F156 HydrophobicContact CG1-CE2 3.91Å; V114-F156 HydrophobicContact CG1-CZ 4.28Å; V114-F156 HydrophobicContact CG2-CD1 4.42Å; V114-F156 HydrophobicContact CG2-CE1 4.16Å; V114-F156 HydrophobicContact CG2-CE2 4.29Å; V114-F156 HydrophobicContact CG2-CZ 4.08Å; V146-F156 HydrophobicContact CG2-CD2 3.92Å; V146-F156 HydrophobicContact CG2-CE2 4.48Å; A147-F156 CarbonylContact O-C 3.56Å; A147-F156 VanDerWaalsContact O-CA 3.23Å; A147-F156 WeakPolarHBondContact O-CA 2.99Å; A147-F156 VanDerWaalsContact O-CB 3.28Å; A147-F156 WeakPolarHBondContact O-CB 3.26Å; F148-F156 HydrophobicContact CD1-CB 3.72Å; F148-F156 HydrophobicContact CD2-CB 4.14Å; F148-F156 HydrophobicContact CE1-CB 3.78Å; F148-F156 AromaticContact CE1-CD1 3.78Å; F148-F156 HydrophobicContact CE1-CD1 3.78Å; F148-F156 HydrophobicContact CE1-CG 4.13Å; F148-F156 HydrophobicContact CE2-CB 4.2Å; F148-F156 HydrophobicContact CE2-CG 4.47Å; F148-F156 HydrophobicContact CG-CB 3.89Å; F148-F156 HydrophobicContact CZ-CB 4.01Å; F148-F156 AromaticContact CZ-CD1 3.81Å; F148-F156 HydrophobicContact CZ-CD1 3.81Å; F148-F156 HydrophobicContact CZ-CG 4.07Å; F156-T158 HydrophobicContact CD2-CG2 4.38Å; F156-T158 HydrophobicContact CE2-CG2 4.22Å; F156-W168 HydrophobicContact CD1-CB 4.05Å; F156-W168 HydrophobicContact CD2-CB 4.24Å; F156-W168 AromaticContact CD2-CD1 3.57Å; F156-W168 HydrophobicContact CD2-CG 4.15Å; F156-W168 HydrophobicContact CE1-CB 3.68Å; F156-W168 HydrophobicContact CE1-CG 4.32Å; F156-W168 HydrophobicContact CE2-CB 3.89Å; F156-W168 AromaticContact CE2-CD1 3.3Å; F156-W168 HydrophobicContact CE2-CD2 4.48Å; F156-W168 AromaticContact CE2-CG 3.63Å; F156-W168 HydrophobicContact CE2-CG 3.63Å; F156-W168 AromaticContact CE2-NE1 3.99Å; F156-W168 HydrophobicContact CG-CB 4.32Å; F156-W168 HydrophobicContact CZ-CB 3.6Å; F156-W168 AromaticContact CZ-CD1 3.9Å; F156-W168 AromaticContact CZ-CG 3.74Å; F156-W168 HydrophobicContact CZ-CG 3.74Å; F156-W168 PolarHBondContact N-O 2.82Å; F156-W168 VanDerWaalsContact N-O 3.11Å; F156-W168 PolarHBondContact O-N 3.26Å; F156-T170 HydrophobicContact CD1-CG2 4.29Å; F156-T170 HydrophobicContact CE1-CG2 3.85Å |
| 157 | C | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.5 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | V146 A147 M166 V167 V222 F224 L230 | V146-C157 WeakPolarHBondContact CA-O 3.36Å; V146-C157 WeakPolarHBondContact CG2-O 3.43Å; A147-C157 PolarHBondContact N-O 3.09Å; A147-C157 PolarHBondContact O-N 3.02Å; C157-M166 CarbonylContact C-O 3.6Å; C157-M166 WeakPolarHBondContact CA-O 3.49Å; C157-M166 WeakPolarHBondContact CB-O 3.17Å; C157-V167 HydrophobicContact CB-CG2 4.35Å; C157-V222 VanDerWaalsContact SG-CG2 3.58Å; C157-F224 HydrophobicContact CB-CE2 3.76Å; C157-F224 HydrophobicContact CB-CZ 3.98Å; C157-F224 WeakPolarHBondContact SG-CE2 3.29Å; C157-L230 HydrophobicContact CB-CD1 3.66Å |
| 158 | T | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.3 | 175.2 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | A122 H139 L143 S145 V146 F156 I165 M166 W168 | A122-T158 HydrophobicContact CB-CG2 4.12Å; H139-T158 PolarHBondContact NE2-O 2.86Å; H139-T158 PolarHBondContact NE2-OG1 2.81Å; L143-T158 HydrophobicContact CD1-CG2 4.15Å; S145-T158 WeakPolarHBondContact O-CA 3.25Å; V146-T158 HydrophobicContact CB-CG2 4.14Å; V146-T158 HydrophobicContact CG2-CG2 3.99Å; F156-T158 HydrophobicContact CD2-CG2 4.38Å; F156-T158 HydrophobicContact CE2-CG2 4.22Å; T158-I165 WeakPolarHBondContact O-CA 3.5Å; T158-M166 PolarHBondContact N-O 3.01Å; T158-M166 PolarHBondContact O-N 3.4Å; T158-W168 PolarHBondContact OG1-NE1 2.86Å |
| 159 | G | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K144 S145 | K144-G159 PolarHBondContact N-O 2.92Å; S145-G159 PolarHBondContact N-O 3.28Å; S145-G159 PolarHBondContact O-N 3.35Å |
| 160 | G | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 159.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D162 G163 N164 V219 | G160-D162 WeakPolarHBondContact CA-OD1 3.45Å; G160-D162 PolarHBondContact O-N 3.15Å; G160-G163 PolarHBondContact O-N 2.86Å; G160-N164 PolarHBondContact N-O 3.35Å; G160-N164 VanDerWaalsContact N-O 3.14Å; G160-V219 PolarHBondContact O-N 2.94Å; G160-V219 VanDerWaalsContact O-N 3.11Å |
| 161 | R | 93.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 24% | 0.242 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.4 | 172 | 176.4 | 176.8 | 165.4 | 166 | 3.3 | 113.1 | C141 S142 G163 V213 F215 S218 | C141-R161 HydrophobicContact CB-CB 3.96Å; C141-R161 HydrophobicContact CB-CG 4.45Å; S142-R161 PolarHBondContact O-N 2.87Å; R161-G163 PolarHBondContact O-N 2.92Å; R161-V213 HydrophobicContact CG-CG1 4.02Å; R161-V213 PolarHBondContact NH2-O 3.27Å; R161-F215 VanDerWaalsContact NH1-CE1 3.26Å; R161-F215 VanDerWaalsContact NH2-CD2 3.31Å; R161-F215 VanDerWaalsContact NH2-CE1 3.3Å; R161-S218 WeakPolarHBondContact CA-OG 3.46Å |
| 162 | D | 90.6 | Very high | 94 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 9.9 | 174.2 | 60.5 | -17.7 | 0 | 0 | 0 | 114 | H139 Q140 C141 G160 N164 | H139-D162 WeakPolarHBondContact CA-OD2 3.41Å; H139-D162 WeakPolarHBondContact CB-OD2 3.39Å; H139-D162 IonicContact CE1-OD1 3.41Å; H139-D162 IonicContact CG-OD1 2.94Å; H139-D162 IonicContact CG-OD2 3.19Å; H139-D162 IonicContact ND1-OD1 3.8Å; H139-D162 PolarHBondContact ND1-OD1 2.85Å; H139-D162 IonicContact ND1-OD2 3.84Å; H139-D162 PolarHBondContact ND1-OD2 2.87Å; Q140-D162 HydrophobicContact CB-CB 4.15Å; Q140-D162 PolarHBondContact N-OD2 3.35Å; C141-D162 HydrophobicContact CB-CB 3.78Å; G160-D162 WeakPolarHBondContact CA-OD1 3.45Å; G160-D162 PolarHBondContact O-N 3.15Å; D162-N164 PolarHBondContact O-N 3.07Å; D162-N164 VanDerWaalsContact O-N 3.13Å; D162-N164 PolarHBondContact OD1-N 3.18Å; D162-N164 PolarHBondContact OD2-ND2 2.97Å |
| 163 | G | 91 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 68.7 | 6.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | G160 R161 G187 A188 Q217 | G160-G163 PolarHBondContact O-N 2.86Å; R161-G163 PolarHBondContact O-N 2.92Å; G163-G187 CarbonylContact O-C 3.49Å; G163-G187 WeakPolarHBondContact O-CA 3.44Å; G163-G187 PolarHBondContact O-N 2.82Å; G163-A188 PolarHBondContact O-N 3.42Å; G163-Q217 WeakPolarHBondContact CA-O 3.3Å |
| 164 | N | 93.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.064 | 14% | 0.139 | C | C | . | . | trans | -91.5 | 142.6 | 177.4 | -64.8 | -52.6 | 0 | 0 | 0 | 110.6 | H139 G160 D162 M166 Q184 I185 S186 | H139-N164 PolarHBondContact CE1-O 3.07Å; G160-N164 PolarHBondContact N-O 3.35Å; G160-N164 VanDerWaalsContact N-O 3.14Å; D162-N164 PolarHBondContact O-N 3.07Å; D162-N164 VanDerWaalsContact O-N 3.13Å; D162-N164 PolarHBondContact OD1-N 3.18Å; D162-N164 PolarHBondContact OD2-ND2 2.97Å; N164-M166 HydrophobicContact CB-CE 3.84Å; N164-Q184 VanDerWaalsContact CG-NE2 3.31Å; N164-Q184 PolarHBondContact OD1-NE2 2.98Å; N164-I185 WeakPolarHBondContact CA-O 3.27Å; N164-S186 VanDerWaalsContact OD1-CA 3.25Å; N164-S186 WeakPolarHBondContact OD1-CA 3.26Å; N164-S186 WeakPolarHBondContact OD1-CB 3.47Å; N164-S186 PolarHBondContact OD1-OG 2.89Å | ||
| 165 | I | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.8 | 156.8 | -56.5 | 169.1 | 0 | 0 | 0 | 106.5 | T158 Q184 I185 A188 V219 V222 L230 S232 | T158-I165 WeakPolarHBondContact O-CA 3.5Å; I165-Q184 CarbonylContact O-C 3.58Å; I165-Q184 WeakPolarHBondContact O-CA 3.3Å; I165-I185 HydrophobicContact CB-CB 4.23Å; I165-I185 PolarHBondContact N-O 3.1Å; I165-I185 PolarHBondContact O-N 2.92Å; I165-A188 HydrophobicContact CD1-CB 3.61Å; I165-A188 HydrophobicContact CG1-CB 3.88Å; I165-V219 HydrophobicContact CG1-CG1 4.22Å; I165-V219 HydrophobicContact CG1-CG2 4.13Å; I165-V222 HydrophobicContact CD1-CG1 4.26Å; I165-V222 HydrophobicContact CG1-CG1 3.99Å; I165-V222 HydrophobicContact CG2-CG1 4.03Å; I165-L230 HydrophobicContact CD1-CD2 3.96Å; I165-L230 HydrophobicContact CG2-CD1 3.88Å; I165-L230 HydrophobicContact CG2-CD2 4.07Å; I165-S232 WeakPolarHBondContact CD1-OG 3.42Å |
| 166 | M | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.4 | 175.5 | -62.7 | -166 | -170.1 | 0 | 0 | 110.1 | G138 H139 C157 T158 N164 W168 Q181 Q184 | G138-M166 WeakPolarHBondContact O-CE 3.41Å; H139-M166 HydrophobicContact CB-CE 4.37Å; H139-M166 VanDerWaalsContact CD2-SD 3.57Å; H139-M166 WeakPolarHBondContact NE2-CG 3.42Å; C157-M166 CarbonylContact C-O 3.6Å; C157-M166 WeakPolarHBondContact CA-O 3.49Å; C157-M166 WeakPolarHBondContact CB-O 3.17Å; T158-M166 PolarHBondContact N-O 3.01Å; T158-M166 PolarHBondContact O-N 3.4Å; N164-M166 HydrophobicContact CB-CE 3.84Å; M166-W168 HydrophobicContact CB-CZ2 3.64Å; M166-W168 HydrophobicContact CG-CZ2 4.34Å; M166-W168 PolarHBondContact O-NE1 2.9Å; M166-W168 HydrophobicContact SD-CH2 4.08Å; M166-W168 HydrophobicContact SD-CZ2 3.93Å; M166-Q181 HydrophobicContact CB-CB 3.86Å; M166-Q181 HydrophobicContact CB-CG 4.38Å; M166-Q181 HydrophobicContact CG-CB 4.2Å; M166-Q181 HydrophobicContact CG-CG 4.19Å; M166-Q181 HydrophobicContact SD-CB 4.06Å; M166-Q181 HydrophobicContact SD-CG 3.87Å; M166-Q184 HydrophobicContact CE-CG 4.46Å; M166-Q184 HydrophobicContact CG-CG 4.24Å |
| 167 | V | 95.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.9 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | V155 C157 Q181 V182 N183 L230 L245 | V155-V167 HydrophobicContact CG1-CG1 3.94Å; C157-V167 HydrophobicContact CB-CG2 4.35Å; V167-Q181 CarbonylContact O-C 3.55Å; V167-Q181 WeakPolarHBondContact O-CA 3.39Å; V167-V182 HydrophobicContact CB-CG2 4.39Å; V167-V182 HydrophobicContact CG1-CG2 4.16Å; V167-V182 WeakPolarHBondContact O-CG2 3.31Å; V167-V182 PolarHBondContact O-N 2.85Å; V167-N183 HydrophobicContact CB-CB 4.12Å; V167-N183 HydrophobicContact CG2-CB 4.34Å; V167-N183 PolarHBondContact N-O 2.9Å; V167-N183 PolarHBondContact O-N 3.26Å; V167-L230 HydrophobicContact CG2-CD1 4.32Å; V167-L245 HydrophobicContact CG2-CD2 4.06Å |
| 168 | W | 95.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142 | -175.5 | -46.6 | 88.1 | 0 | 0 | 0 | 108.9 | C136 V155 F156 T158 M166 R180 Q181 | C136-W168 HydrophobicContact CB-CD2 4.08Å; C136-W168 HydrophobicContact CB-CE3 3.78Å; C136-W168 HydrophobicContact CB-CH2 3.83Å; C136-W168 HydrophobicContact CB-CZ2 4.1Å; C136-W168 HydrophobicContact CB-CZ3 3.64Å; V155-W168 WeakPolarHBondContact CA-O 3.38Å; F156-W168 HydrophobicContact CD1-CB 4.05Å; F156-W168 HydrophobicContact CD2-CB 4.24Å; F156-W168 AromaticContact CD2-CD1 3.57Å; F156-W168 HydrophobicContact CD2-CG 4.15Å; F156-W168 HydrophobicContact CE1-CB 3.68Å; F156-W168 HydrophobicContact CE1-CG 4.32Å; F156-W168 HydrophobicContact CE2-CB 3.89Å; F156-W168 AromaticContact CE2-CD1 3.3Å; F156-W168 HydrophobicContact CE2-CD2 4.48Å; F156-W168 AromaticContact CE2-CG 3.63Å; F156-W168 HydrophobicContact CE2-CG 3.63Å; F156-W168 AromaticContact CE2-NE1 3.99Å; F156-W168 HydrophobicContact CG-CB 4.32Å; F156-W168 HydrophobicContact CZ-CB 3.6Å; F156-W168 AromaticContact CZ-CD1 3.9Å; F156-W168 AromaticContact CZ-CG 3.74Å; F156-W168 HydrophobicContact CZ-CG 3.74Å; F156-W168 PolarHBondContact N-O 2.82Å; F156-W168 VanDerWaalsContact N-O 3.11Å; F156-W168 PolarHBondContact O-N 3.26Å; T158-W168 PolarHBondContact OG1-NE1 2.86Å; M166-W168 HydrophobicContact CB-CZ2 3.64Å; M166-W168 HydrophobicContact CG-CZ2 4.34Å; M166-W168 PolarHBondContact O-NE1 2.9Å; M166-W168 HydrophobicContact SD-CH2 4.08Å; M166-W168 HydrophobicContact SD-CZ2 3.93Å; W168-R180 VanDerWaalsContact CZ3-C 3.47Å; W168-Q181 HydrophobicContact CD2-CB 4.4Å; W168-Q181 HydrophobicContact CE3-CB 4.14Å; W168-Q181 HydrophobicContact CH2-CB 4.1Å; W168-Q181 HydrophobicContact CZ2-CB 4.37Å; W168-Q181 HydrophobicContact CZ3-CB 4Å; W168-Q181 VanDerWaalsContact CZ3-N 3.29Å |
| 169 | D | 93.9 | Very high | 87.3 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.8 | 168.3 | -173.7 | -39.5 | 0 | 0 | 0 | 107.8 | A154 V155 R171 C172 V182 | A154-D169 CarbonylContact O-C 3.58Å; A154-D169 WeakPolarHBondContact O-CA 3.23Å; V155-D169 HydrophobicContact CG2-CB 4.06Å; D169-R171 PolarHBondContact O-N 3.18Å; D169-R171 VanDerWaalsContact O-N 3.13Å; D169-R171 WeakPolarHBondContact OD1-CA 3.27Å; D169-R171 WeakPolarHBondContact OD1-CB 3.37Å; D169-R171 WeakPolarHBondContact OD1-CG 3.26Å; D169-R171 IonicContact OD1-CZ 3.58Å; D169-R171 PolarHBondContact OD1-N 3.2Å; D169-R171 IonicContact OD1-NE 3.62Å; D169-R171 PolarHBondContact OD1-NE 2.86Å; D169-R171 IonicContact OD1-NH2 2.81Å; D169-R171 IonicContact OD2-CZ 3.48Å; D169-R171 VanDerWaalsContact OD2-CZ 3.32Å; D169-R171 IonicContact OD2-NE 3.79Å; D169-R171 PolarHBondContact OD2-NE 3.42Å; D169-R171 VanDerWaalsContact OD2-NE 3.11Å; D169-R171 IonicContact OD2-NH2 3.26Å; D169-R171 PolarHBondContact OD2-NH2 3.08Å; D169-C172 HydrophobicContact CB-CB 4.35Å; D169-C172 WeakPolarHBondContact O-CB 3.24Å; D169-C172 PolarHBondContact O-N 3.11Å; D169-V182 HydrophobicContact CB-CG1 4.06Å; D169-V182 HydrophobicContact CB-CG2 4.23Å |
| 170 | T | 91.7 | Very high | 87 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.6 | -176.3 | 57 | 0 | 0 | 0 | 0 | 113.5 | F124 A154 F156 Y179 | F124-T170 HydrophobicContact CD1-CG2 3.89Å; F124-T170 HydrophobicContact CE1-CG2 3.57Å; F124-T170 HydrophobicContact CZ-CG2 4.07Å; A154-T170 WeakPolarHBondContact CA-OG1 3.35Å; A154-T170 PolarHBondContact O-N 3.04Å; A154-T170 PolarHBondContact O-OG1 2.94Å; F156-T170 HydrophobicContact CD1-CG2 4.29Å; F156-T170 HydrophobicContact CE1-CG2 3.85Å; T170-Y179 VanDerWaalsContact O-CE1 3.3Å; T170-Y179 WeakPolarHBondContact O-CE1 3.28Å; T170-Y179 PolarHBondContact O-OH 3.29Å |
| 171 | R | 90.6 | Very high | 86.8 | Confident | 147 Ų | 147 | 57 Ų | 57 | 56% | 0.555 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -24.3 | 173.4 | -54.3 | 169 | -72.2 | -153.3 | -2.1 | 112.2 | E152 A154 D169 N173 | E152-R171 VanDerWaalsContact CD-NH1 3.33Å; E152-R171 VanDerWaalsContact CD-NH2 3.34Å; E152-R171 IonicContact OE1-CZ 3.67Å; E152-R171 IonicContact OE1-NH1 3.66Å; E152-R171 IonicContact OE2-CZ 3.95Å; E152-R171 IonicContact OE2-NH1 3.88Å; E152-R171 PolarHBondContact OE2-NH1 2.86Å; E152-R171 IonicContact OE2-NH2 2.87Å; E152-R171 PolarHBondContact OE2-NH2 3.14Å; A154-R171 HydrophobicContact CB-CG 3.91Å; D169-R171 PolarHBondContact O-N 3.18Å; D169-R171 VanDerWaalsContact O-N 3.13Å; D169-R171 WeakPolarHBondContact OD1-CA 3.27Å; D169-R171 WeakPolarHBondContact OD1-CB 3.37Å; D169-R171 WeakPolarHBondContact OD1-CG 3.26Å; D169-R171 IonicContact OD1-CZ 3.58Å; D169-R171 PolarHBondContact OD1-N 3.2Å; D169-R171 IonicContact OD1-NE 3.62Å; D169-R171 PolarHBondContact OD1-NE 2.86Å; D169-R171 IonicContact OD1-NH2 2.81Å; D169-R171 IonicContact OD2-CZ 3.48Å; D169-R171 VanDerWaalsContact OD2-CZ 3.32Å; D169-R171 IonicContact OD2-NE 3.79Å; D169-R171 PolarHBondContact OD2-NE 3.42Å; D169-R171 VanDerWaalsContact OD2-NE 3.11Å; D169-R171 IonicContact OD2-NH2 3.26Å; D169-R171 PolarHBondContact OD2-NH2 3.08Å; R171-N173 PolarHBondContact O-N 3.17Å |
| 172 | C | 85.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -73.8 | 109.5 | 178.3 | -71.9 | 0 | 0 | 0 | 0 | 110 | D169 Y179 V182 | D169-C172 HydrophobicContact CB-CB 4.35Å; D169-C172 WeakPolarHBondContact O-CB 3.24Å; D169-C172 PolarHBondContact O-N 3.11Å; C172-Y179 WeakPolarHBondContact O-CD1 3.44Å; C172-V182 HydrophobicContact CB-CG1 3.74Å |
| 173 | N | 66.8 | Low | 86.7 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | trans | -66.7 | 143 | -156.6 | -167.3 | 15.8 | 0 | 0 | 0 | 115.4 | R171 K175 | R171-N173 PolarHBondContact O-N 3.17Å; N173-K175 VanDerWaalsContact C-N 3.29Å; N173-K175 PolarHBondContact O-N 3.26Å | ||
| 174 | K | 68.1 | Low | 86.8 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | trans | -70.1 | 69.6 | 174 | -53.3 | 168.3 | -150.6 | 154.8 | 0 | 111.7 | I133 D176 G177 F178 Y179 | I133-K174 VanDerWaalsContact O-CE 3.28Å; I133-K174 WeakPolarHBondContact O-CE 3.38Å; I133-K174 PolarHBondContact O-NZ 2.73Å; K174-D176 PolarHBondContact O-N 2.79Å; K174-G177 PolarHBondContact O-N 2.76Å; K174-G177 VanDerWaalsContact O-N 3.11Å; K174-F178 WeakPolarHBondContact CA-O 3.5Å; K174-Y179 HydrophobicContact CD-CE2 4.12Å; K174-Y179 WeakPolarHBondContact CE-OH 3.43Å; K174-Y179 HydrophobicContact CG-CD1 3.93Å; K174-Y179 HydrophobicContact CG-CD2 4.19Å; K174-Y179 HydrophobicContact CG-CE1 3.81Å; K174-Y179 HydrophobicContact CG-CE2 4.09Å; K174-Y179 HydrophobicContact CG-CG 4.12Å | ||
| 175 | K | 60.4 | Low | 86.7 | Confident | 188 Ų | 188 | 59.5 Ų | 59.5 | 82% | 0.817 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.1 | 179.7 | -72.1 | -168.7 | 176 | -174 | 0 | 113.6 | N173 | N173-K175 VanDerWaalsContact C-N 3.29Å; N173-K175 PolarHBondContact O-N 3.26Å |
| 176 | D | 74.9 | Confident | 86.5 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 21.9 | -175.9 | -35.8 | -55.3 | 0 | 0 | 0 | 111.8 | K174 F178 R180 | K174-D176 PolarHBondContact O-N 2.79Å; D176-F178 WeakPolarHBondContact O-CD2 3.37Å; D176-F178 PolarHBondContact O-N 3.06Å; D176-R180 IonicContact OD2-CZ 2.76Å; D176-R180 VanDerWaalsContact OD2-CZ 3.28Å; D176-R180 IonicContact OD2-NE 3.34Å; D176-R180 PolarHBondContact OD2-NE 3.24Å; D176-R180 IonicContact OD2-NH2 3.06Å; D176-R180 PolarHBondContact OD2-NH2 3.09Å |
| 177 | G | 78.4 | Confident | 86.1 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 74.5 | -20 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K174 | K174-G177 PolarHBondContact O-N 2.76Å; K174-G177 VanDerWaalsContact O-N 3.11Å |
| 178 | F | 88.2 | Confident | 85.9 | Confident | 78 Ų | 78 | 61.3 Ų | 61.3 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 142.4 | 175.7 | -59.1 | -73.2 | 0 | 0 | 0 | 112.5 | T135 K137 K174 D176 | T135-F178 HydrophobicContact CG2-CD1 4.2Å; T135-F178 HydrophobicContact CG2-CE1 4.31Å; T135-F178 CarbonylContact O-C 3.48Å; T135-F178 VanDerWaalsContact O-CA 3.32Å; T135-F178 WeakPolarHBondContact O-CA 3.38Å; K137-F178 HydrophobicContact CD-CD1 3.56Å; K137-F178 HydrophobicContact CD-CD2 4.45Å; K137-F178 HydrophobicContact CD-CE1 3.83Å; K137-F178 HydrophobicContact CD-CG 3.93Å; K137-F178 HydrophobicContact CD-CZ 4.39Å; K137-F178 HydrophobicContact CG-CD1 3.95Å; K137-F178 HydrophobicContact CG-CG 4.43Å; K137-F178 VanDerWaalsContact NZ-CE1 3.25Å; K174-F178 WeakPolarHBondContact CA-O 3.5Å; D176-F178 WeakPolarHBondContact O-CD2 3.37Å; D176-F178 PolarHBondContact O-N 3.06Å |
| 179 | Y | 91.7 | Very high | 85.5 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 140.9 | 162.6 | -75.5 | -69.2 | 0 | 0 | 0 | 110 | F124 T135 K137 T170 C172 K174 | F124-Y179 HydrophobicContact CD1-CE2 4.2Å; T135-Y179 PolarHBondContact O-N 3.04Å; K137-Y179 PolarHBondContact N-O 3.34Å; K137-Y179 VanDerWaalsContact N-O 3.11Å; T170-Y179 VanDerWaalsContact O-CE1 3.3Å; T170-Y179 WeakPolarHBondContact O-CE1 3.28Å; T170-Y179 PolarHBondContact O-OH 3.29Å; C172-Y179 WeakPolarHBondContact O-CD1 3.44Å; K174-Y179 HydrophobicContact CD-CE2 4.12Å; K174-Y179 WeakPolarHBondContact CE-OH 3.43Å; K174-Y179 HydrophobicContact CG-CD1 3.93Å; K174-Y179 HydrophobicContact CG-CD2 4.19Å; K174-Y179 HydrophobicContact CG-CE1 3.81Å; K174-Y179 HydrophobicContact CG-CE2 4.09Å; K174-Y179 HydrophobicContact CG-CG 4.12Å |
| 180 | R | 89.6 | Confident | 85 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | trans | -115.3 | 151 | 172.1 | -63.6 | 175 | -179.9 | -103 | 6.8 | 108.5 | W168 D176 | W168-R180 VanDerWaalsContact CZ3-C 3.47Å; D176-R180 IonicContact OD2-CZ 2.76Å; D176-R180 VanDerWaalsContact OD2-CZ 3.28Å; D176-R180 IonicContact OD2-NE 3.34Å; D176-R180 PolarHBondContact OD2-NE 3.24Å; D176-R180 IonicContact OD2-NH2 3.06Å; D176-R180 PolarHBondContact OD2-NH2 3.09Å | ||
| 181 | Q | 91.6 | Very high | 84 | Confident | 59 Ų | 59 | 63 Ų | 63 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | trans | -68.2 | 138.1 | -178.5 | 70.7 | -78.4 | 30.1 | 0 | 0 | 111.5 | M166 V167 W168 Q184 | M166-Q181 HydrophobicContact CB-CB 3.86Å; M166-Q181 HydrophobicContact CB-CG 4.38Å; M166-Q181 HydrophobicContact CG-CB 4.2Å; M166-Q181 HydrophobicContact CG-CG 4.19Å; M166-Q181 HydrophobicContact SD-CB 4.06Å; M166-Q181 HydrophobicContact SD-CG 3.87Å; V167-Q181 CarbonylContact O-C 3.55Å; V167-Q181 WeakPolarHBondContact O-CA 3.39Å; W168-Q181 HydrophobicContact CD2-CB 4.4Å; W168-Q181 HydrophobicContact CE3-CB 4.14Å; W168-Q181 HydrophobicContact CH2-CB 4.1Å; W168-Q181 HydrophobicContact CZ2-CB 4.37Å; W168-Q181 HydrophobicContact CZ3-CB 4Å; W168-Q181 VanDerWaalsContact CZ3-N 3.29Å; Q181-Q184 HydrophobicContact CG-CB 4.26Å | ||
| 182 | V | 91.4 | Very high | 82.5 | Confident | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -89.9 | -24.5 | 178.9 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | V167 D169 C172 | V167-V182 HydrophobicContact CB-CG2 4.39Å; V167-V182 HydrophobicContact CG1-CG2 4.16Å; V167-V182 WeakPolarHBondContact O-CG2 3.31Å; V167-V182 PolarHBondContact O-N 2.85Å; D169-V182 HydrophobicContact CB-CG1 4.06Å; D169-V182 HydrophobicContact CB-CG2 4.23Å; C172-V182 HydrophobicContact CB-CG1 3.74Å |
| 183 | N | 91 | Very high | 80.9 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.8 | 169.3 | -162.5 | -3.4 | 0 | 0 | 0 | 109.2 | V167 L245 | V167-N183 HydrophobicContact CB-CB 4.12Å; V167-N183 HydrophobicContact CG2-CB 4.34Å; V167-N183 PolarHBondContact N-O 2.9Å; V167-N183 PolarHBondContact O-N 3.26Å; N183-L245 PolarHBondContact ND2-O 3.32Å |
| 184 | Q | 92.3 | Very high | 80.2 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 17% | 0.173 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.4 | 178.9 | -178.5 | 170.7 | -17.1 | 0 | 0 | 110.4 | N164 I165 M166 Q181 S186 T250 | N164-Q184 VanDerWaalsContact CG-NE2 3.31Å; N164-Q184 PolarHBondContact OD1-NE2 2.98Å; I165-Q184 CarbonylContact O-C 3.58Å; I165-Q184 WeakPolarHBondContact O-CA 3.3Å; M166-Q184 HydrophobicContact CE-CG 4.46Å; M166-Q184 HydrophobicContact CG-CG 4.24Å; Q181-Q184 HydrophobicContact CG-CB 4.26Å; Q184-S186 PolarHBondContact NE2-OG 2.78Å; Q184-T250 HydrophobicContact CB-CG2 4.43Å; Q184-T250 HydrophobicContact CG-CG2 4.49Å; Q184-T250 VanDerWaalsContact O-CG2 3.23Å; Q184-T250 WeakPolarHBondContact O-CG2 3.35Å; Q184-T250 PolarHBondContact O-OG1 3.46Å |
| 185 | I | 92.5 | Very high | 79 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 100.6 | 168.3 | -48.4 | -177.5 | 0 | 0 | 0 | 106.4 | N164 I165 A188 W243 Y249 P256 | N164-I185 WeakPolarHBondContact CA-O 3.27Å; I165-I185 HydrophobicContact CB-CB 4.23Å; I165-I185 PolarHBondContact N-O 3.1Å; I165-I185 PolarHBondContact O-N 2.92Å; I185-A188 HydrophobicContact CG2-CB 4.2Å; I185-W243 HydrophobicContact CD1-CB 3.6Å; I185-W243 HydrophobicContact CD1-CD2 3.83Å; I185-W243 HydrophobicContact CD1-CE3 4.16Å; I185-W243 HydrophobicContact CD1-CG 3.6Å; I185-W243 HydrophobicContact CG2-CD2 4.26Å; I185-W243 HydrophobicContact CG2-CE3 3.99Å; I185-W243 HydrophobicContact CG2-CH2 4.22Å; I185-W243 HydrophobicContact CG2-CZ2 4.47Å; I185-W243 HydrophobicContact CG2-CZ3 3.98Å; I185-Y249 HydrophobicContact CD1-CD2 3.77Å; I185-Y249 HydrophobicContact CD1-CE2 3.92Å; I185-Y249 HydrophobicContact CD1-CG 4.48Å; I185-Y249 HydrophobicContact CG1-CD2 3.75Å; I185-Y249 HydrophobicContact CG1-CE2 4.42Å; I185-Y249 HydrophobicContact CG1-CG 4.18Å; I185-Y249 HydrophobicContact CG2-CD2 4.46Å; I185-Y249 HydrophobicContact CG2-CG 4.17Å; I185-P256 HydrophobicContact CG2-CB 3.6Å; I185-P256 HydrophobicContact CG2-CG 3.87Å |
| 186 | S | 90.8 | Very high | 77.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 134.5 | -177.7 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | N164 Q184 T250 P256 | N164-S186 VanDerWaalsContact OD1-CA 3.25Å; N164-S186 WeakPolarHBondContact OD1-CA 3.26Å; N164-S186 WeakPolarHBondContact OD1-CB 3.47Å; N164-S186 PolarHBondContact OD1-OG 2.89Å; Q184-S186 PolarHBondContact NE2-OG 2.78Å; S186-T250 WeakPolarHBondContact OG-CG2 3.28Å; S186-P256 WeakPolarHBondContact O-CD 3.22Å; S186-P256 WeakPolarHBondContact O-CG 3.49Å |
| 187 | G | 88.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 28.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G163 H189 N190 | G163-G187 CarbonylContact O-C 3.49Å; G163-G187 WeakPolarHBondContact O-CA 3.44Å; G163-G187 PolarHBondContact O-N 2.82Å; G187-H189 PolarHBondContact O-N 3.18Å; G187-H189 VanDerWaalsContact O-N 3.09Å; G187-N190 VanDerWaalsContact CA-ND2 3.33Å; G187-N190 WeakPolarHBondContact CA-ND2 3.48Å; G187-N190 WeakPolarHBondContact CA-OD1 3.05Å; G187-N190 WeakPolarHBondContact O-CB 3.33Å; G187-N190 PolarHBondContact O-N 2.7Å |
| 188 | A | 89.9 | Confident | 74.6 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -37.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G163 I165 I185 V219 K241 W243 | G163-A188 PolarHBondContact O-N 3.42Å; I165-A188 HydrophobicContact CD1-CB 3.61Å; I165-A188 HydrophobicContact CG1-CB 3.88Å; I185-A188 HydrophobicContact CG2-CB 4.2Å; A188-V219 HydrophobicContact CB-CG2 4.35Å; A188-K241 WeakPolarHBondContact O-CD 3.21Å; A188-K241 PolarHBondContact O-NZ 2.81Å; A188-W243 HydrophobicContact CB-CH2 4.22Å; A188-W243 HydrophobicContact CB-CZ2 3.68Å; A188-W243 WeakPolarHBondContact O-CZ2 2.96Å |
| 189 | H | 88.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 26.7 | 178 | -69.2 | -86.6 | 0 | 0 | 0 | 113.8 | G187 T191 S232 A233 G234 D237 I239 | G187-H189 PolarHBondContact O-N 3.18Å; G187-H189 VanDerWaalsContact O-N 3.09Å; H189-T191 PolarHBondContact O-N 2.91Å; H189-S232 PolarHBondContact NE2-OG 3.09Å; H189-A233 VanDerWaalsContact CE1-C 3.41Å; H189-A233 VanDerWaalsContact CE1-CA 3.48Å; H189-A233 WeakPolarHBondContact CE1-CA 3.1Å; H189-G234 PolarHBondContact CE1-N 2.83Å; H189-G234 VanDerWaalsContact CE1-N 3.27Å; H189-G234 VanDerWaalsContact CG-CA 3.48Å; H189-G234 PolarHBondContact ND1-N 3.5Å; H189-G234 VanDerWaalsContact ND1-N 3.14Å; H189-D237 IonicContact CE1-OD1 3.91Å; H189-D237 IonicContact CE1-OD2 3.41Å; H189-D237 IonicContact CG-OD1 2.73Å; H189-D237 IonicContact CG-OD2 2.79Å; H189-D237 VanDerWaalsContact ND1-CG 3.26Å; H189-D237 IonicContact ND1-OD1 2.83Å; H189-D237 PolarHBondContact ND1-OD1 3.2Å; H189-D237 IonicContact ND1-OD2 3.96Å; H189-D237 PolarHBondContact ND1-OD2 3.42Å; H189-I239 PolarHBondContact CE1-O 3.41Å; H189-I239 PolarHBondContact ND1-O 2.79Å |
| 190 | N | 83.9 | Confident | 69.8 | Low | 42 Ų | 42 | 82 Ų | 82 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | trans | -67.1 | 120.2 | 175.9 | -75.4 | 5.6 | 0 | 0 | 0 | 111.9 | G187 S192 Q217 | G187-N190 VanDerWaalsContact CA-ND2 3.33Å; G187-N190 WeakPolarHBondContact CA-ND2 3.48Å; G187-N190 WeakPolarHBondContact CA-OD1 3.05Å; G187-N190 WeakPolarHBondContact O-CB 3.33Å; G187-N190 PolarHBondContact O-N 2.7Å; N190-S192 PolarHBondContact O-N 2.85Å; N190-Q217 WeakPolarHBondContact OD1-CB 3.45Å; N190-Q217 VanDerWaalsContact OD1-CG 3.29Å; N190-Q217 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 191 | T | 70.2 | Confident | 67.7 | Low | 49 Ų | 49 | 83.6 Ų | 83.6 | 30% | 0.301 | 45% | 0.452 | S | S | . | . | trans | -80.7 | 103.2 | 165.7 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | H189 D193 D237 | H189-T191 PolarHBondContact O-N 2.91Å; T191-D193 PolarHBondContact O-N 3.38Å; T191-D193 VanDerWaalsContact O-N 3.15Å; T191-D237 HydrophobicContact CG2-CB 3.66Å | ||
| 192 | S | 58.3 | Low | 65 | Low | 83 Ų | 83 | 90 Ų | 90 | 58% | 0.58 | 48% | 0.479 | S | S | * | . | trans | -69.1 | 107.4 | 172.1 | 38 | 0 | 0 | 0 | 0 | 110.3 | N190 K194 | N190-S192 PolarHBondContact O-N 2.85Å; S192-K194 WeakPolarHBondContact O-CG 3.35Å; S192-K194 PolarHBondContact O-N 3.24Å | ||
| 193 | D | 52.8 | Low | 62.7 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 65% | 0.647 | 50% | 0.5 | S | S | * | . | trans | -74.9 | 107.1 | -176.7 | -158.1 | -17.8 | 0 | 0 | 0 | 111 | T191 Q195 | T191-D193 PolarHBondContact O-N 3.38Å; T191-D193 VanDerWaalsContact O-N 3.15Å; D193-Q195 PolarHBondContact O-N 3.23Å | ||
| 194 | K | 51.4 | Low | 60.2 | Low | 192 Ų | 192 | 102.4 Ų | 102.4 | 84% | 0.835 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.8 | -165.2 | -63.7 | -177.2 | -179.1 | 174.2 | 0 | 114.2 | S192 | S192-K194 WeakPolarHBondContact O-CG 3.35Å; S192-K194 PolarHBondContact O-N 3.24Å |
| 195 | Q | 42.3 | Very low | 57.6 | Low | 175 Ų | 175 | 107.9 Ų | 107.9 | 82% | 0.818 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -0.5 | -169.6 | -67 | -163.9 | -7.2 | 0 | 0 | 115.5 | D193 | D193-Q195 PolarHBondContact O-N 3.23Š|
| 196 | T | 37.3 | Very low | 55.1 | Low | 104 Ų | 104 | 110.8 Ų | 110.8 | 64% | 0.638 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -148.6 | 129.3 | 167.4 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | S198 | T196-S198 PolarHBondContact O-N 3.14Š|
| 197 | P | 40.3 | Very low | 52.5 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 61% | 0.609 | S | S | * | * | trans | -64 | 97.5 | 165.2 | -16.9 | 30.6 | 0 | 0 | 0 | 108.7 | K199 | P197-K199 PolarHBondContact O-N 2.94Š| ||
| 198 | S | 43.5 | Very low | 50.4 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -62.7 | 108.5 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 108.2 | T196 | T196-S198 PolarHBondContact O-N 3.14Š| ||
| 199 | K | 40.2 | Very low | 47.9 | Very low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -46.6 | 127.8 | 171.1 | -67.9 | -178.8 | -179.8 | 177.1 | 0 | 107 | P197 K201 | P197-K199 PolarHBondContact O-N 2.94Å; K199-K201 PolarHBondContact O-N 3.12Å | ||
| 200 | P | 40.3 | Very low | 45.6 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -58.2 | 105 | -172 | 22 | -33.1 | 0 | 0 | 0 | 108.6 | K202 | P200-K202 PolarHBondContact O-N 2.68Š| ||
| 201 | K | 44.9 | Very low | 43.8 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | trans | -60.3 | 111.1 | 179.1 | -72.7 | -176 | 179.6 | 179 | 0 | 105.6 | K199 K203 | K199-K201 PolarHBondContact O-N 3.12Å; K201-K203 PolarHBondContact O-N 2.75Å | ||
| 202 | K | 36.1 | Very low | 42.3 | Very low | 193 Ų | 193 | 138 Ų | 138 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -45.6 | 130.4 | 169 | -85.4 | -175.1 | 173.2 | -179.5 | 0 | 106.6 | P200 Q204 | P200-K202 PolarHBondContact O-N 2.68Å; K202-Q204 PolarHBondContact O-N 2.83Å | ||
| 203 | K | 42.2 | Very low | 41.9 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -58.2 | 94.2 | 167.3 | -85.2 | -172.7 | 172.4 | -177.7 | 0 | 107.5 | K201 N205 | K201-K203 PolarHBondContact O-N 2.75Å; K203-N205 PolarHBondContact O-N 2.87Å | ||
| 204 | Q | 38.1 | Very low | 42.3 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 124.5 | 162.2 | -77.5 | -177.4 | -53.7 | 0 | 0 | 105.7 | K202 S206 | K202-Q204 PolarHBondContact O-N 2.83Å; Q204-S206 PolarHBondContact O-N 3.3Å | ||
| 205 | N | 37.3 | Very low | 42.8 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -75.5 | 61.7 | 171.5 | -78 | -21.2 | 0 | 0 | 0 | 109.2 | K203 K207 | K203-N205 PolarHBondContact O-N 2.87Å; N205-K207 PolarHBondContact O-N 3.2Å | ||
| 206 | S | 40.3 | Very low | 44 | Very low | 61 Ų | 61 | 122.6 Ų | 122.6 | 43% | 0.427 | 67% | 0.674 | S | S | . | * | trans | -73.3 | 69.2 | 172.1 | 55.4 | 0 | 0 | 0 | 0 | 109.8 | Q204 G208 L209 | Q204-S206 PolarHBondContact O-N 3.3Å; S206-G208 PolarHBondContact O-N 3.29Å; S206-G208 VanDerWaalsContact O-N 3.09Å; S206-L209 PolarHBondContact O-N 3.31Å | ||
| 207 | K | 36.8 | Very low | 45.9 | Very low | 207 Ų | 207 | 120.8 Ų | 120.8 | 90% | 0.9 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 115.2 | 167.3 | -72.3 | -175.5 | 174.4 | -175.4 | 0 | 107.9 | N205 | N205-K207 PolarHBondContact O-N 3.2Š|
| 208 | G | 44.2 | Very low | 48.3 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 88% | 0.876 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.9 | -2.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | S206 | S206-G208 PolarHBondContact O-N 3.29Å; S206-G208 VanDerWaalsContact O-N 3.09Å |
| 209 | L | 37.8 | Very low | 50.7 | Low | 138 Ų | 138 | 110.5 Ų | 110.5 | 72% | 0.723 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 129 | 169.4 | -83 | 165 | 0 | 0 | 0 | 111 | S206 | S206-L209 PolarHBondContact O-N 3.31Š|
| 210 | A | 40 | Very low | 53.3 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 74% | 0.736 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 147.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 211 | P | 44.7 | Very low | 56 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 146.6 | 175.7 | -24.8 | 34.5 | 0 | 0 | 0 | 112.3 | V213 | P211-V213 VanDerWaalsContact C-N 3.3Å; P211-V213 VanDerWaalsContact O-CG2 3.24Å; P211-V213 WeakPolarHBondContact O-CG2 3.33Å; P211-V213 PolarHBondContact O-N 3.27Å |
| 212 | S | 40 | Very low | 58.5 | Low | 124 Ų | 124 | 87.2 Ų | 87.2 | 87% | 0.867 | 48% | 0.477 | S | S | * | . | trans | -73.1 | 83 | 172 | 174.4 | 0 | 0 | 0 | 0 | 110 | D214 | S212-D214 PolarHBondContact O-N 3.01Å; S212-D214 VanDerWaalsContact O-N 3.11Å | ||
| 213 | V | 49.8 | Very low | 61.4 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | trans | -74.8 | 97.5 | -173.4 | -157.9 | 0 | 0 | 0 | 0 | 111.8 | C141 R161 P211 F215 | C141-V213 VanDerWaalsContact SG-CG1 3.5Å; C141-V213 WeakPolarHBondContact SG-CG2 3.24Å; R161-V213 HydrophobicContact CG-CG1 4.02Å; R161-V213 PolarHBondContact NH2-O 3.27Å; P211-V213 VanDerWaalsContact C-N 3.3Å; P211-V213 VanDerWaalsContact O-CG2 3.24Å; P211-V213 WeakPolarHBondContact O-CG2 3.33Å; P211-V213 PolarHBondContact O-N 3.27Å; V213-F215 PolarHBondContact O-N 3.14Å | ||
| 214 | D | 61.2 | Low | 64 | Low | 59 Ų | 59 | 70.7 Ų | 70.7 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | trans | -66.2 | 127.2 | 168.4 | -169.2 | -15.4 | 0 | 0 | 0 | 109.9 | S212 Q216 Q217 | S212-D214 PolarHBondContact O-N 3.01Å; S212-D214 VanDerWaalsContact O-N 3.11Å; D214-Q216 PolarHBondContact O-N 2.67Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.44Å; D214-Q216 VanDerWaalsContact OD1-CG 3.27Å; D214-Q216 WeakPolarHBondContact OD1-CG 3.49Å; D214-Q216 PolarHBondContact OD1-N 3.16Å; D214-Q216 PolarHBondContact OD1-NE2 3.46Å; D214-Q216 PolarHBondContact OD2-NE2 2.99Å; D214-Q217 HydrophobicContact CB-CG 4.27Å; D214-Q217 PolarHBondContact O-N 2.86Å | ||
| 215 | F | 61.5 | Low | 66.7 | Low | 104 Ų | 104 | 64.4 Ų | 64.4 | 46% | 0.456 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -58.9 | -27 | 175.9 | -67.7 | -106.5 | 0 | 0 | 0 | 111.7 | R161 V213 Q217 S218 | R161-F215 VanDerWaalsContact NH1-CE1 3.26Å; R161-F215 VanDerWaalsContact NH2-CD2 3.31Å; R161-F215 VanDerWaalsContact NH2-CE1 3.3Å; V213-F215 PolarHBondContact O-N 3.14Å; F215-Q217 PolarHBondContact O-N 3.22Å; F215-Q217 VanDerWaalsContact O-N 3.14Å; F215-S218 PolarHBondContact O-N 3.36Å |
| 216 | Q | 66.8 | Low | 69.3 | Low | 40 Ų | 40 | 59.4 Ų | 59.4 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -60.7 | -20.9 | 178.9 | -65.1 | 177.7 | 92.6 | 0 | 0 | 114.3 | D214 V236 | D214-Q216 PolarHBondContact O-N 2.67Å; D214-Q216 WeakPolarHBondContact OD1-CB 3.44Å; D214-Q216 VanDerWaalsContact OD1-CG 3.27Å; D214-Q216 WeakPolarHBondContact OD1-CG 3.49Å; D214-Q216 PolarHBondContact OD1-N 3.16Å; D214-Q216 PolarHBondContact OD1-NE2 3.46Å; D214-Q216 PolarHBondContact OD2-NE2 2.99Å; Q216-V236 HydrophobicContact CB-CB 4.37Å; Q216-V236 HydrophobicContact CG-CB 4.34Å; Q216-V236 HydrophobicContact CG-CG1 4.02Å |
| 217 | Q | 77.6 | Confident | 71.7 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -89.8 | -10.2 | -176 | -60.7 | -179.9 | 11 | 0 | 0 | 113 | G163 N190 D214 F215 V219 | G163-Q217 WeakPolarHBondContact CA-O 3.3Å; N190-Q217 WeakPolarHBondContact OD1-CB 3.45Å; N190-Q217 VanDerWaalsContact OD1-CG 3.29Å; N190-Q217 WeakPolarHBondContact OD1-CG 3.3Å; D214-Q217 HydrophobicContact CB-CG 4.27Å; D214-Q217 PolarHBondContact O-N 2.86Å; F215-Q217 PolarHBondContact O-N 3.22Å; F215-Q217 VanDerWaalsContact O-N 3.14Å; Q217-V219 PolarHBondContact O-N 3.32Å |
| 218 | S | 90.3 | Very high | 74.2 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | trans | -63.1 | 123 | -169.7 | -168.3 | 0 | 0 | 0 | 0 | 113 | R161 F215 G234 A235 | R161-S218 WeakPolarHBondContact CA-OG 3.46Å; F215-S218 PolarHBondContact O-N 3.36Å; S218-G234 WeakPolarHBondContact O-CA 3.48Å; S218-A235 PolarHBondContact O-N 2.96Å | ||
| 219 | V | 95.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.6 | 160.2 | -166.2 | 0 | 0 | 0 | 0 | 107.3 | G160 I165 A188 Q217 V222 | G160-V219 PolarHBondContact O-N 2.94Å; G160-V219 VanDerWaalsContact O-N 3.11Å; I165-V219 HydrophobicContact CG1-CG1 4.22Å; I165-V219 HydrophobicContact CG1-CG2 4.13Å; A188-V219 HydrophobicContact CB-CG2 4.35Å; Q217-V219 PolarHBondContact O-N 3.32Å; V219-V222 HydrophobicContact CG1-CG1 3.86Å |
| 220 | T | 94.9 | Very high | 79.3 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -46.2 | 176.9 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | S145 A233 A235 Y274 F319 | S145-T220 VanDerWaalsContact CB-O 3.26Å; S145-T220 WeakPolarHBondContact CB-O 3.41Å; T220-A233 PolarHBondContact N-O 2.82Å; T220-A233 PolarHBondContact OG1-O 3.27Å; T220-A233 VanDerWaalsContact OG1-O 3.14Å; T220-A235 HydrophobicContact CG2-CB 3.65Å; T220-Y274 VanDerWaalsContact CB-O 3.28Å; T220-Y274 WeakPolarHBondContact CB-O 3.45Å; T220-Y274 PolarHBondContact OG1-O 3.04Å; T220-F319 HydrophobicContact CG2-CB 4.09Å; T220-F319 HydrophobicContact CG2-CD1 3.9Å; T220-F319 HydrophobicContact CG2-CG 4.16Å |
| 221 | V | 96.6 | Very high | 82.1 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.8 | -173 | -165 | 0 | 0 | 0 | 0 | 111.1 | S232 A233 S275 L277 | V221-S232 WeakPolarHBondContact O-CA 3.44Å; V221-S232 WeakPolarHBondContact O-CB 3.27Å; V221-A233 PolarHBondContact O-N 3.07Å; V221-A233 VanDerWaalsContact O-N 3.12Å; V221-S275 WeakPolarHBondContact CG2-O 3.48Å; V221-L277 HydrophobicContact CB-CB 4.37Å; V221-L277 HydrophobicContact CB-CD1 4.11Å; V221-L277 HydrophobicContact CB-CG 3.97Å; V221-L277 HydrophobicContact CG1-CB 3.8Å; V221-L277 HydrophobicContact CG1-CD1 4.19Å; V221-L277 HydrophobicContact CG1-CG 3.96Å; V221-L277 HydrophobicContact CG2-CG 4.35Å |
| 222 | V | 97.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142 | 168.5 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | S145 A147 C157 I165 V219 V231 | S145-V222 PolarHBondContact OG-N 2.72Å; A147-V222 VanDerWaalsContact CB-O 3.31Å; A147-V222 WeakPolarHBondContact CB-O 3.19Å; C157-V222 VanDerWaalsContact SG-CG2 3.58Å; I165-V222 HydrophobicContact CD1-CG1 4.26Å; I165-V222 HydrophobicContact CG1-CG1 3.99Å; I165-V222 HydrophobicContact CG2-CG1 4.03Å; V219-V222 HydrophobicContact CG1-CG1 3.86Å; V222-V231 CarbonylContact C-O 3.51Å; V222-V231 WeakPolarHBondContact CA-O 3.1Å |
| 223 | L | 97 | Very high | 87.2 | Confident | 36 Ų | 36 | 31.4 Ų | 31.4 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 150.6 | 177.1 | -69.6 | 179.3 | 0 | 0 | 0 | 110.9 | A147 L230 V231 L277 L279 | A147-L223 HydrophobicContact CB-CD2 4.27Å; L223-L230 CarbonylContact O-C 3.6Å; L223-L230 WeakPolarHBondContact O-CA 3.38Å; L223-L230 WeakPolarHBondContact O-CG 3.41Å; L223-V231 PolarHBondContact N-O 3.06Å; L223-V231 PolarHBondContact O-N 3.25Å; L223-L277 HydrophobicContact CD1-CB 3.61Å; L223-L277 HydrophobicContact CG-CB 4.33Å; L223-L279 HydrophobicContact CD1-CG 4.31Å |
| 224 | F | 96.5 | Very high | 89.1 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.2 | 161.4 | -71.8 | -95.1 | 0 | 0 | 0 | 110 | A147 F148 V155 C157 L245 L279 | A147-F224 WeakPolarHBondContact O-CE2 3.42Å; F148-F224 WeakPolarHBondContact O-CD2 3.48Å; V155-F224 HydrophobicContact CG1-CE1 4.16Å; V155-F224 HydrophobicContact CG1-CZ 3.81Å; C157-F224 HydrophobicContact CB-CE2 3.76Å; C157-F224 HydrophobicContact CB-CZ 3.98Å; C157-F224 WeakPolarHBondContact SG-CE2 3.29Å; F224-L245 HydrophobicContact CD1-CD1 4.21Å; F224-L245 HydrophobicContact CE1-CD1 3.61Å; F224-L279 WeakPolarHBondContact O-CD1 3.41Å |
| 225 | Q | 94.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 26.8 Ų | 26.8 | 16% | 0.159 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -89.5 | -46.7 | 166.4 | -175.9 | -172.5 | -12.9 | 0 | 0 | 110.6 | T229 V231 L279 G283 | Q225-T229 HydrophobicContact CB-CG2 4.09Å; Q225-T229 PolarHBondContact N-O 3.09Å; Q225-V231 HydrophobicContact CB-CG2 4.06Å; Q225-L279 HydrophobicContact CB-CD1 3.83Å; Q225-L279 HydrophobicContact CG-CD1 4.08Å; Q225-G283 WeakPolarHBondContact CG-O 3.31Å; Q225-G283 PolarHBondContact NE2-O 3.25Å |
| 226 | D | 91.1 | Very high | 91.1 | Very high | 47 Ų | 47 | 23.1 Ų | 23.1 | 25% | 0.251 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -144.1 | -176.1 | 175.8 | 66.9 | 65.4 | 0 | 0 | 0 | 110.4 | F151 N228 T229 | F151-D226 HydrophobicContact CE2-CB 4.38Å; F151-D226 HydrophobicContact CZ-CB 4.5Å; D226-N228 PolarHBondContact O-N 2.85Å; D226-N228 VanDerWaalsContact O-N 3.14Å; D226-N228 WeakPolarHBondContact OD1-CA 3.42Å; D226-N228 PolarHBondContact OD1-N 3.41Å; D226-T229 VanDerWaalsContact CG-OG1 3.27Å; D226-T229 PolarHBondContact N-O 2.92Å; D226-T229 PolarHBondContact O-N 3.48Å; D226-T229 PolarHBondContact OD1-N 3.26Å; D226-T229 PolarHBondContact OD1-OG1 3.01Å; D226-T229 WeakPolarHBondContact OD2-CB 3.15Å; D226-T229 PolarHBondContact OD2-OG1 2.75Å |
| 227 | E | 89.9 | Confident | 92 | Very high | 119 Ų | 119 | 22.4 Ų | 22.4 | 56% | 0.556 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -51.9 | -31.7 | 177.6 | -68.3 | 175.6 | -178.3 | 0 | 0 | 114.5 | F151 | F151-E227 HydrophobicContact CB-CG 3.5Å; F151-E227 VanDerWaalsContact CB-CG 3.5Å; F151-E227 HydrophobicContact CD1-CG 3.93Å; F151-E227 HydrophobicContact CD2-CG 4.27Å; F151-E227 HydrophobicContact CG-CG 3.64Å |
| 228 | N | 91.1 | Very high | 92.5 | Very high | 42 Ų | 42 | 19.8 Ų | 19.8 | 23% | 0.225 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -114.7 | -15.2 | -171.8 | -59.8 | -87.6 | 0 | 0 | 0 | 112.7 | D226 L245 R246 | D226-N228 PolarHBondContact O-N 2.85Å; D226-N228 VanDerWaalsContact O-N 3.14Å; D226-N228 WeakPolarHBondContact OD1-CA 3.42Å; D226-N228 PolarHBondContact OD1-N 3.41Å; N228-L245 WeakPolarHBondContact O-CB 3.36Å; N228-L245 WeakPolarHBondContact O-CG 3.48Å; N228-L245 PolarHBondContact O-N 3.38Å; N228-R246 HydrophobicContact CB-CG 4.21Å; N228-R246 VanDerWaalsContact OD1-CD 3.23Å; N228-R246 WeakPolarHBondContact OD1-CD 3.29Å; N228-R246 VanDerWaalsContact OD1-CG 3.24Å; N228-R246 WeakPolarHBondContact OD1-CG 3.48Å |
| 229 | T | 93.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.8 | -172.9 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | Q225 D226 V242 W243 | Q225-T229 HydrophobicContact CB-CG2 4.09Å; Q225-T229 PolarHBondContact N-O 3.09Å; D226-T229 VanDerWaalsContact CG-OG1 3.27Å; D226-T229 PolarHBondContact N-O 2.92Å; D226-T229 PolarHBondContact O-N 3.48Å; D226-T229 PolarHBondContact OD1-N 3.26Å; D226-T229 PolarHBondContact OD1-OG1 3.01Å; D226-T229 WeakPolarHBondContact OD2-CB 3.15Å; D226-T229 PolarHBondContact OD2-OG1 2.75Å; T229-V242 HydrophobicContact CG2-CG1 3.26Å; T229-W243 WeakPolarHBondContact CA-O 3.45Å |
| 230 | L | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.9 | 174.3 | -174.1 | 155 | 0 | 0 | 0 | 109.8 | C157 I165 V167 L223 V242 W243 L245 | C157-L230 HydrophobicContact CB-CD1 3.66Å; I165-L230 HydrophobicContact CD1-CD2 3.96Å; I165-L230 HydrophobicContact CG2-CD1 3.88Å; I165-L230 HydrophobicContact CG2-CD2 4.07Å; V167-L230 HydrophobicContact CG2-CD1 4.32Å; L223-L230 CarbonylContact O-C 3.6Å; L223-L230 WeakPolarHBondContact O-CA 3.38Å; L223-L230 WeakPolarHBondContact O-CG 3.41Å; L230-V242 CarbonylContact O-C 3.54Å; L230-V242 WeakPolarHBondContact O-CA 3.45Å; L230-W243 HydrophobicContact CB-CB 4.5Å; L230-W243 PolarHBondContact N-O 3.19Å; L230-W243 PolarHBondContact O-N 3.3Å; L230-L245 HydrophobicContact CB-CD1 4.23Å; L230-L245 HydrophobicContact CB-CD2 3.88Å; L230-L245 HydrophobicContact CB-CG 4.12Å; L230-L245 HydrophobicContact CD1-CD2 4.12Å |
| 231 | V | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.6 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | V222 L223 Q225 I240 K241 V242 L277 L286 M300 | V222-V231 CarbonylContact C-O 3.51Å; V222-V231 WeakPolarHBondContact CA-O 3.1Å; L223-V231 PolarHBondContact N-O 3.06Å; L223-V231 PolarHBondContact O-N 3.25Å; Q225-V231 HydrophobicContact CB-CG2 4.06Å; V231-I240 HydrophobicContact CG1-CG2 3.58Å; V231-K241 CarbonylContact C-O 3.41Å; V231-K241 WeakPolarHBondContact CA-O 3.42Å; V231-V242 HydrophobicContact CG2-CG2 4.48Å; V231-L277 HydrophobicContact CG1-CD1 4.1Å; V231-L286 HydrophobicContact CG1-CD1 4.43Å; V231-L286 HydrophobicContact CG1-CD2 4.38Å; V231-M300 HydrophobicContact CG2-CE 3.65Å |
| 232 | S | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.8 | 174.5 | 68.2 | 0 | 0 | 0 | 0 | 113 | I165 H189 V221 I240 K241 W243 | I165-S232 WeakPolarHBondContact CD1-OG 3.42Å; H189-S232 PolarHBondContact NE2-OG 3.09Å; V221-S232 WeakPolarHBondContact O-CA 3.44Å; V221-S232 WeakPolarHBondContact O-CB 3.27Å; S232-I240 CarbonylContact O-C 3.52Å; S232-I240 WeakPolarHBondContact O-CA 3.48Å; S232-I240 WeakPolarHBondContact O-CG2 3.3Å; S232-K241 PolarHBondContact N-O 3.46Å; S232-K241 PolarHBondContact O-N 3.05Å; S232-W243 PolarHBondContact OG-NE1 3.48Å |
| 233 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 154.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H189 T220 V221 Y274 L277 | H189-A233 VanDerWaalsContact CE1-C 3.41Å; H189-A233 VanDerWaalsContact CE1-CA 3.48Å; H189-A233 WeakPolarHBondContact CE1-CA 3.1Å; T220-A233 PolarHBondContact N-O 2.82Å; T220-A233 PolarHBondContact OG1-O 3.27Å; T220-A233 VanDerWaalsContact OG1-O 3.14Å; V221-A233 PolarHBondContact O-N 3.07Å; V221-A233 VanDerWaalsContact O-N 3.12Å; A233-Y274 HydrophobicContact CB-CD2 3.92Å; A233-Y274 HydrophobicContact CB-CG 4.21Å; A233-L277 HydrophobicContact CB-CD1 3.97Å; A233-L277 HydrophobicContact CB-CD2 4.29Å; A233-L277 HydrophobicContact CB-CG 4.24Å |
| 234 | G | 89.8 | Confident | 92.3 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 161.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | H189 S218 G273 Y274 | H189-G234 PolarHBondContact CE1-N 2.83Å; H189-G234 VanDerWaalsContact CE1-N 3.27Å; H189-G234 VanDerWaalsContact CG-CA 3.48Å; H189-G234 PolarHBondContact ND1-N 3.5Å; H189-G234 VanDerWaalsContact ND1-N 3.14Å; S218-G234 WeakPolarHBondContact O-CA 3.48Å; G234-G273 WeakPolarHBondContact O-CA 3.22Å; G234-Y274 PolarHBondContact O-N 2.73Å |
| 235 | A | 84.8 | Confident | 92 | Very high | 6 Ų | 6 | 22 Ų | 22 | 5% | 0.05 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -72.5 | -29.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S218 T220 L272 G273 F319 | S218-A235 PolarHBondContact O-N 2.96Å; T220-A235 HydrophobicContact CG2-CB 3.65Å; A235-L272 CarbonylContact O-C 3.55Å; A235-G273 VanDerWaalsContact O-CA 3.3Å; A235-G273 WeakPolarHBondContact O-CA 3.35Å; A235-G273 PolarHBondContact O-N 2.87Å; A235-F319 HydrophobicContact CB-CD1 4.05Å; A235-F319 HydrophobicContact CB-CD2 4.28Å; A235-F319 HydrophobicContact CB-CE1 3.91Å; A235-F319 HydrophobicContact CB-CE2 4.15Å; A235-F319 HydrophobicContact CB-CG 4.25Å; A235-F319 HydrophobicContact CB-CZ 3.97Å; A235-F319 WeakPolarHBondContact O-CE1 3.08Å; A235-F319 WeakPolarHBondContact O-CZ 3.47Å |
| 236 | V | 79.9 | Confident | 91.7 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 16% | 0.164 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -139.7 | -7.1 | -163.3 | -159 | 0 | 0 | 0 | 0 | 114.2 | Q216 K271 L272 | Q216-V236 HydrophobicContact CB-CB 4.37Å; Q216-V236 HydrophobicContact CG-CB 4.34Å; Q216-V236 HydrophobicContact CG-CG1 4.02Å; V236-K271 HydrophobicContact CG1-CB 3.47Å; V236-K271 VanDerWaalsContact CG1-CB 3.47Å; V236-K271 HydrophobicContact CG1-CD 3.79Å; V236-K271 HydrophobicContact CG1-CG 4.25Å; V236-L272 CarbonylContact C-O 3.49Å |
| 237 | D | 84.9 | Confident | 91.4 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -86.7 | -11.7 | 179.6 | 80.7 | -28.9 | 0 | 0 | 0 | 113.9 | H189 T191 I239 K241 | H189-D237 IonicContact CE1-OD1 3.91Å; H189-D237 IonicContact CE1-OD2 3.41Å; H189-D237 IonicContact CG-OD1 2.73Å; H189-D237 IonicContact CG-OD2 2.79Å; H189-D237 VanDerWaalsContact ND1-CG 3.26Å; H189-D237 IonicContact ND1-OD1 2.83Å; H189-D237 PolarHBondContact ND1-OD1 3.2Å; H189-D237 IonicContact ND1-OD2 3.96Å; H189-D237 PolarHBondContact ND1-OD2 3.42Å; T191-D237 HydrophobicContact CG2-CB 3.66Å; D237-I239 WeakPolarHBondContact O-CG1 3.24Å; D237-I239 PolarHBondContact O-N 2.79Å; D237-I239 PolarHBondContact OD1-N 3Å; D237-K241 WeakPolarHBondContact OD2-CE 3.37Å; D237-K241 IonicContact OD2-NZ 2.72Å; D237-K241 PolarHBondContact OD2-NZ 3.19Å |
| 238 | G | 88.1 | Confident | 90.7 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | trans | 65.2 | 20.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y264 L272 | G238-Y264 WeakPolarHBondContact O-CB 3.5Å; G238-Y264 PolarHBondContact O-N 3.46Å; G238-L272 VanDerWaalsContact CA-O 3.27Å; G238-L272 WeakPolarHBondContact CA-O 3.35Å; G238-L272 PolarHBondContact N-O 3.07Å | ||
| 239 | I | 91.6 | Very high | 89.9 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.2 | -174.4 | -58.2 | 171.6 | 0 | 0 | 0 | 110.5 | H189 D237 K241 F262 L263 | H189-I239 PolarHBondContact CE1-O 3.41Å; H189-I239 PolarHBondContact ND1-O 2.79Å; D237-I239 WeakPolarHBondContact O-CG1 3.24Å; D237-I239 PolarHBondContact O-N 2.79Å; D237-I239 PolarHBondContact OD1-N 3Å; I239-K241 HydrophobicContact CB-CG 4.49Å; I239-K241 HydrophobicContact CG2-CG 3.71Å; I239-F262 WeakPolarHBondContact CA-O 3.4Å; I239-L263 HydrophobicContact CD1-CD2 3.89Å; I239-L263 HydrophobicContact CG1-CD2 3.77Å; I239-L263 HydrophobicContact CG2-CD2 4.26Å |
| 240 | I | 95.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.7 | 163.7 | -47 | 176.3 | 0 | 0 | 0 | 107.5 | V231 S232 S261 F262 Y274 L277 L286 A288 F298 | V231-I240 HydrophobicContact CG1-CG2 3.58Å; S232-I240 CarbonylContact O-C 3.52Å; S232-I240 WeakPolarHBondContact O-CA 3.48Å; S232-I240 WeakPolarHBondContact O-CG2 3.3Å; I240-S261 CarbonylContact O-C 3.53Å; I240-S261 WeakPolarHBondContact O-CA 3.23Å; I240-F262 HydrophobicContact CB-CB 4.2Å; I240-F262 HydrophobicContact CB-CD2 4.29Å; I240-F262 HydrophobicContact CG2-CD2 4.49Å; I240-F262 PolarHBondContact N-O 3.38Å; I240-F262 PolarHBondContact O-N 2.58Å; I240-Y274 HydrophobicContact CD1-CD1 4.38Å; I240-Y274 HydrophobicContact CD1-CE1 4.06Å; I240-Y274 HydrophobicContact CD1-CE2 4.21Å; I240-Y274 HydrophobicContact CG1-CD2 3.78Å; I240-Y274 HydrophobicContact CG1-CE1 4.23Å; I240-Y274 HydrophobicContact CG1-CE2 3.47Å; I240-Y274 VanDerWaalsContact CG1-CE2 3.47Å; I240-Y274 HydrophobicContact CG1-CG 4.29Å; I240-L277 HydrophobicContact CD1-CD2 4Å; I240-L277 HydrophobicContact CG1-CD2 4.4Å; I240-L277 HydrophobicContact CG2-CD1 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.39Å; I240-L286 HydrophobicContact CD1-CD2 3.87Å; I240-L286 HydrophobicContact CG2-CD2 3.95Å; I240-A288 HydrophobicContact CD1-CB 3.48Å; I240-A288 VanDerWaalsContact CD1-CB 3.48Å; I240-F298 HydrophobicContact CD1-CD2 4Å; I240-F298 HydrophobicContact CD1-CE2 3.67Å |
| 241 | K | 95.3 | Very high | 86.7 | Confident | 28 Ų | 28 | 33 Ų | 33 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.8 | -175.8 | -68.7 | 174.4 | 179.4 | 152.2 | 0 | 110.6 | A188 V231 S232 D237 I239 W243 A258 | A188-K241 WeakPolarHBondContact O-CD 3.21Å; A188-K241 PolarHBondContact O-NZ 2.81Å; V231-K241 CarbonylContact C-O 3.41Å; V231-K241 WeakPolarHBondContact CA-O 3.42Å; S232-K241 PolarHBondContact N-O 3.46Å; S232-K241 PolarHBondContact O-N 3.05Å; D237-K241 WeakPolarHBondContact OD2-CE 3.37Å; D237-K241 IonicContact OD2-NZ 2.72Å; D237-K241 PolarHBondContact OD2-NZ 3.19Å; I239-K241 HydrophobicContact CB-CG 4.49Å; I239-K241 HydrophobicContact CG2-CG 3.71Å; K241-W243 HydrophobicContact CB-CH2 4.34Å; K241-W243 HydrophobicContact CB-CZ2 3.55Å; K241-W243 HydrophobicContact CD-CH2 3.8Å; K241-W243 HydrophobicContact CD-CZ2 3.51Å; K241-W243 HydrophobicContact CG-CZ2 4.13Å; K241-A258 HydrophobicContact CB-CB 4.02Å; K241-A258 HydrophobicContact CG-CB 4.2Å |
| 242 | V | 95.9 | Very high | 84.7 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.2 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 108 | T229 L230 V231 A258 S259 K260 F262 M300 | T229-V242 HydrophobicContact CG2-CG1 3.26Å; L230-V242 CarbonylContact O-C 3.54Å; L230-V242 WeakPolarHBondContact O-CA 3.45Å; V231-V242 HydrophobicContact CG2-CG2 4.48Å; V242-A258 CarbonylContact O-C 3.57Å; V242-A258 VanDerWaalsContact O-CA 3.23Å; V242-A258 WeakPolarHBondContact O-CA 3.36Å; V242-A258 VanDerWaalsContact O-CB 3.31Å; V242-A258 WeakPolarHBondContact O-CB 3.25Å; V242-S259 PolarHBondContact O-N 3.14Å; V242-S259 PolarHBondContact O-OG 2.74Å; V242-S259 VanDerWaalsContact O-OG 3.07Å; V242-K260 HydrophobicContact CB-CB 4.04Å; V242-K260 WeakPolarHBondContact CB-O 3.5Å; V242-K260 HydrophobicContact CG2-CB 4.05Å; V242-K260 HydrophobicContact CG2-CG 4.49Å; V242-K260 PolarHBondContact N-O 3.16Å; V242-F262 HydrophobicContact CG2-CE2 3.97Å; V242-M300 HydrophobicContact CG2-CE 3.88Å |
| 243 | W | 95.4 | Very high | 82.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.6 | -173.9 | -49.8 | 96.5 | 0 | 0 | 0 | 109.9 | I185 A188 T229 L230 S232 K241 Y249 P256 A258 | I185-W243 HydrophobicContact CD1-CB 3.6Å; I185-W243 HydrophobicContact CD1-CD2 3.83Å; I185-W243 HydrophobicContact CD1-CE3 4.16Å; I185-W243 HydrophobicContact CD1-CG 3.6Å; I185-W243 HydrophobicContact CG2-CD2 4.26Å; I185-W243 HydrophobicContact CG2-CE3 3.99Å; I185-W243 HydrophobicContact CG2-CH2 4.22Å; I185-W243 HydrophobicContact CG2-CZ2 4.47Å; I185-W243 HydrophobicContact CG2-CZ3 3.98Å; A188-W243 HydrophobicContact CB-CH2 4.22Å; A188-W243 HydrophobicContact CB-CZ2 3.68Å; A188-W243 WeakPolarHBondContact O-CZ2 2.96Å; T229-W243 WeakPolarHBondContact CA-O 3.45Å; L230-W243 HydrophobicContact CB-CB 4.5Å; L230-W243 PolarHBondContact N-O 3.19Å; L230-W243 PolarHBondContact O-N 3.3Å; S232-W243 PolarHBondContact OG-NE1 3.48Å; K241-W243 HydrophobicContact CB-CH2 4.34Å; K241-W243 HydrophobicContact CB-CZ2 3.55Å; K241-W243 HydrophobicContact CD-CH2 3.8Å; K241-W243 HydrophobicContact CD-CZ2 3.51Å; K241-W243 HydrophobicContact CG-CZ2 4.13Å; W243-Y249 HydrophobicContact CB-CE2 4.24Å; W243-Y249 HydrophobicContact CE3-CD1 4.47Å; W243-Y249 AromaticContact CE3-CE1 3.85Å; W243-Y249 HydrophobicContact CE3-CE1 3.85Å; W243-Y249 HydrophobicContact CE3-CE2 4.3Å; W243-Y249 AromaticContact CE3-CZ 3.73Å; W243-Y249 HydrophobicContact CZ3-CE1 4.19Å; W243-P256 HydrophobicContact CH2-CB 4.2Å; W243-P256 HydrophobicContact CH2-CG 3.95Å; W243-P256 HydrophobicContact CZ3-CB 3.71Å; W243-P256 HydrophobicContact CZ3-CG 4Å; W243-A258 HydrophobicContact CE3-CB 4.29Å; W243-A258 HydrophobicContact CH2-CB 4.44Å; W243-A258 HydrophobicContact CZ3-CB 4.16Å |
| 244 | D | 92.9 | Very high | 80.9 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 105 | 176.3 | 178 | -12.7 | 0 | 0 | 0 | 108 | R246 K247 Y249 | D244-R246 PolarHBondContact O-N 3.41Å; D244-R246 VanDerWaalsContact O-N 3.1Å; D244-R246 VanDerWaalsContact OD1-CB 3.3Å; D244-R246 WeakPolarHBondContact OD1-CB 3.07Å; D244-R246 IonicContact OD1-CZ 3.62Å; D244-R246 PolarHBondContact OD1-N 3.38Å; D244-R246 IonicContact OD1-NE 2.71Å; D244-R246 PolarHBondContact OD1-NE 2.86Å; D244-R246 IonicContact OD1-NH2 3.62Å; D244-R246 PolarHBondContact OD1-NH2 2.77Å; D244-R246 IonicContact OD2-CZ 3.89Å; D244-R246 IonicContact OD2-NE 2.79Å; D244-R246 IonicContact OD2-NH2 2.86Å; D244-R246 PolarHBondContact OD2-NH2 2.88Å; D244-K247 HydrophobicContact CB-CD 3.89Å; D244-K247 HydrophobicContact CB-CG 4.04Å; D244-K247 VanDerWaalsContact O-CB 3.28Å; D244-K247 WeakPolarHBondContact O-CB 3.21Å; D244-K247 PolarHBondContact O-N 2.75Å; D244-K247 WeakPolarHBondContact OD2-CE 3.4Å; D244-Y249 PolarHBondContact N-OH 2.66Å; D244-Y249 WeakPolarHBondContact O-CE2 3.45Å |
| 245 | L | 90.7 | Very high | 80 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.6 | -173 | -62.8 | 179.3 | 0 | 0 | 0 | 113.6 | V167 N183 F224 N228 L230 K247 | V167-L245 HydrophobicContact CG2-CD2 4.06Å; N183-L245 PolarHBondContact ND2-O 3.32Å; F224-L245 HydrophobicContact CD1-CD1 4.21Å; F224-L245 HydrophobicContact CE1-CD1 3.61Å; N228-L245 WeakPolarHBondContact O-CB 3.36Å; N228-L245 WeakPolarHBondContact O-CG 3.48Å; N228-L245 PolarHBondContact O-N 3.38Å; L230-L245 HydrophobicContact CB-CD1 4.23Å; L230-L245 HydrophobicContact CB-CD2 3.88Å; L230-L245 HydrophobicContact CB-CG 4.12Å; L230-L245 HydrophobicContact CD1-CD2 4.12Å; L245-K247 PolarHBondContact O-N 2.81Å |
| 246 | R | 87.9 | Confident | 79.8 | Confident | 177 Ų | 177 | 64.7 Ų | 64.7 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17 | 172.2 | -52.9 | 168.8 | -65.3 | -171.4 | 6.3 | 112 | N228 D244 | N228-R246 HydrophobicContact CB-CG 4.21Å; N228-R246 VanDerWaalsContact OD1-CD 3.23Å; N228-R246 WeakPolarHBondContact OD1-CD 3.29Å; N228-R246 VanDerWaalsContact OD1-CG 3.24Å; N228-R246 WeakPolarHBondContact OD1-CG 3.48Å; D244-R246 PolarHBondContact O-N 3.41Å; D244-R246 VanDerWaalsContact O-N 3.1Å; D244-R246 VanDerWaalsContact OD1-CB 3.3Å; D244-R246 WeakPolarHBondContact OD1-CB 3.07Å; D244-R246 IonicContact OD1-CZ 3.62Å; D244-R246 PolarHBondContact OD1-N 3.38Å; D244-R246 IonicContact OD1-NE 2.71Å; D244-R246 PolarHBondContact OD1-NE 2.86Å; D244-R246 IonicContact OD1-NH2 3.62Å; D244-R246 PolarHBondContact OD1-NH2 2.77Å; D244-R246 IonicContact OD2-CZ 3.89Å; D244-R246 IonicContact OD2-NE 2.79Å; D244-R246 IonicContact OD2-NH2 2.86Å; D244-R246 PolarHBondContact OD2-NH2 2.88Å |
| 247 | K | 84.6 | Confident | 80 | Confident | 89 Ų | 89 | 68.1 Ų | 68.1 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -83 | 128.7 | 173.3 | -59.4 | 177.6 | -173.5 | 168.4 | 0 | 109.5 | D244 L245 Y249 | D244-K247 HydrophobicContact CB-CD 3.89Å; D244-K247 HydrophobicContact CB-CG 4.04Å; D244-K247 VanDerWaalsContact O-CB 3.28Å; D244-K247 WeakPolarHBondContact O-CB 3.21Å; D244-K247 PolarHBondContact O-N 2.75Å; D244-K247 WeakPolarHBondContact OD2-CE 3.4Å; L245-K247 PolarHBondContact O-N 2.81Å; K247-Y249 HydrophobicContact CB-CD2 4.37Å; K247-Y249 HydrophobicContact CB-CE2 3.92Å; K247-Y249 VanDerWaalsContact O-CD2 3.32Å; K247-Y249 WeakPolarHBondContact O-CD2 3.4Å; K247-Y249 PolarHBondContact O-N 3.14Å |
| 248 | N | 75.3 | Confident | 80.3 | Confident | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | trans | -81.2 | 100.6 | 170.9 | -169.3 | -36.2 | 0 | 0 | 0 | 109.6 | T250 A251 | N248-T250 PolarHBondContact OD1-N 2.92Å; N248-A251 HydrophobicContact CB-CB 4.42Å; N248-A251 VanDerWaalsContact CG-CB 3.46Å; N248-A251 WeakPolarHBondContact OD1-CB 3.11Å; N248-A251 PolarHBondContact OD1-N 3.11Å | ||
| 249 | Y | 75.1 | Confident | 80.4 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 7% | 0.071 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -73.5 | -33.9 | -176 | -78.1 | -72.6 | 0 | 0 | 0 | 113.8 | I185 W243 D244 K247 P256 I257 | I185-Y249 HydrophobicContact CD1-CD2 3.77Å; I185-Y249 HydrophobicContact CD1-CE2 3.92Å; I185-Y249 HydrophobicContact CD1-CG 4.48Å; I185-Y249 HydrophobicContact CG1-CD2 3.75Å; I185-Y249 HydrophobicContact CG1-CE2 4.42Å; I185-Y249 HydrophobicContact CG1-CG 4.18Å; I185-Y249 HydrophobicContact CG2-CD2 4.46Å; I185-Y249 HydrophobicContact CG2-CG 4.17Å; W243-Y249 HydrophobicContact CB-CE2 4.24Å; W243-Y249 HydrophobicContact CE3-CD1 4.47Å; W243-Y249 AromaticContact CE3-CE1 3.85Å; W243-Y249 HydrophobicContact CE3-CE1 3.85Å; W243-Y249 HydrophobicContact CE3-CE2 4.3Å; W243-Y249 AromaticContact CE3-CZ 3.73Å; W243-Y249 HydrophobicContact CZ3-CE1 4.19Å; D244-Y249 PolarHBondContact N-OH 2.66Å; D244-Y249 WeakPolarHBondContact O-CE2 3.45Å; K247-Y249 HydrophobicContact CB-CD2 4.37Å; K247-Y249 HydrophobicContact CB-CE2 3.92Å; K247-Y249 VanDerWaalsContact O-CD2 3.32Å; K247-Y249 WeakPolarHBondContact O-CD2 3.4Å; K247-Y249 PolarHBondContact O-N 3.14Å; Y249-P256 HydrophobicContact CD1-CB 3.59Å; Y249-P256 HydrophobicContact CE1-CB 4.28Å; Y249-P256 HydrophobicContact CG-CB 4.22Å; Y249-I257 VanDerWaalsContact CE1-O 3.24Å; Y249-I257 WeakPolarHBondContact CE1-O 3.38Å; Y249-I257 PolarHBondContact OH-O 3.23Å |
| 250 | T | 64 | Low | 80.4 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.2 | -170.1 | 41.2 | 0 | 0 | 0 | 0 | 115.5 | Q184 S186 N248 | Q184-T250 HydrophobicContact CB-CG2 4.43Å; Q184-T250 HydrophobicContact CG-CG2 4.49Å; Q184-T250 VanDerWaalsContact O-CG2 3.23Å; Q184-T250 WeakPolarHBondContact O-CG2 3.35Å; Q184-T250 PolarHBondContact O-OG1 3.46Å; S186-T250 WeakPolarHBondContact OG-CG2 3.28Å; N248-T250 PolarHBondContact OD1-N 2.92Å |
| 251 | A | 59 | Low | 80.3 | Confident | 50 Ų | 50 | 72.8 Ų | 72.8 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -26.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N248 | N248-A251 HydrophobicContact CB-CB 4.42Å; N248-A251 VanDerWaalsContact CG-CB 3.46Å; N248-A251 WeakPolarHBondContact OD1-CB 3.11Å; N248-A251 PolarHBondContact OD1-N 3.11Å |
| 252 | Y | 54.7 | Low | 80.3 | Confident | 193 Ų | 193 | 71.5 Ų | 71.5 | 76% | 0.757 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.7 | -4 | -164.9 | -58.7 | -67.1 | 0 | 0 | 0 | 116.5 | ||
| 253 | R | 53.2 | Low | 80.1 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | trans | -140.5 | 154.9 | 177.8 | -66 | -169.4 | -180 | -147.4 | -1.6 | 110.9 | I257 | R253-I257 VanDerWaalsContact NH1-CD1 3.29Š| ||
| 254 | Q | 60.8 | Low | 80 | Confident | 188 Ų | 188 | 78.4 Ų | 78.4 | 88% | 0.879 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -81.4 | -33.9 | 174 | -69.4 | 179.5 | -10.2 | 0 | 0 | 112.1 | ||
| 255 | E | 69.8 | Low | 79.8 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -113.8 | 129.3 | -179.9 | -64.1 | -63.3 | 142 | 0 | 0 | 110.4 | ||
| 256 | P | 81.9 | Confident | 79.5 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 14% | 0.136 | 40% | 0.398 | C | S | . | . | trans | -82.3 | 140.1 | -179.2 | 35.9 | -37.6 | 0 | 0 | 0 | 111.6 | I185 S186 W243 Y249 | I185-P256 HydrophobicContact CG2-CB 3.6Å; I185-P256 HydrophobicContact CG2-CG 3.87Å; S186-P256 WeakPolarHBondContact O-CD 3.22Å; S186-P256 WeakPolarHBondContact O-CG 3.49Å; W243-P256 HydrophobicContact CH2-CB 4.2Å; W243-P256 HydrophobicContact CH2-CG 3.95Å; W243-P256 HydrophobicContact CZ3-CB 3.71Å; W243-P256 HydrophobicContact CZ3-CG 4Å; Y249-P256 HydrophobicContact CD1-CB 3.59Å; Y249-P256 HydrophobicContact CE1-CB 4.28Å; Y249-P256 HydrophobicContact CG-CB 4.22Å | ||
| 257 | I | 84.2 | Confident | 79.2 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 51% | 0.508 | 41% | 0.407 | S | S | . | . | trans | -110.4 | 109.8 | -176.3 | -57.6 | -178.6 | 0 | 0 | 0 | 111.4 | Y249 R253 | Y249-I257 VanDerWaalsContact CE1-O 3.24Å; Y249-I257 WeakPolarHBondContact CE1-O 3.38Å; Y249-I257 PolarHBondContact OH-O 3.23Å; R253-I257 VanDerWaalsContact NH1-CD1 3.29Å | ||
| 258 | A | 90.6 | Very high | 79.2 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | trans | -53 | 146.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K241 V242 W243 | K241-A258 HydrophobicContact CB-CB 4.02Å; K241-A258 HydrophobicContact CG-CB 4.2Å; V242-A258 CarbonylContact O-C 3.57Å; V242-A258 VanDerWaalsContact O-CA 3.23Å; V242-A258 WeakPolarHBondContact O-CA 3.36Å; V242-A258 VanDerWaalsContact O-CB 3.31Å; V242-A258 WeakPolarHBondContact O-CB 3.25Å; W243-A258 HydrophobicContact CE3-CB 4.29Å; W243-A258 HydrophobicContact CH2-CB 4.44Å; W243-A258 HydrophobicContact CZ3-CB 4.16Å | ||
| 259 | S | 90.1 | Very high | 79.2 | Confident | 61 Ų | 61 | 77.8 Ų | 77.8 | 43% | 0.427 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -75.4 | -35.4 | 173.8 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | V242 | V242-S259 PolarHBondContact O-N 3.14Å; V242-S259 PolarHBondContact O-OG 2.74Å; V242-S259 VanDerWaalsContact O-OG 3.07Å |
| 260 | K | 92 | Very high | 79.4 | Confident | 48 Ų | 48 | 86.6 Ų | 86.6 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.2 | 174.4 | 179.8 | 176.6 | 173.8 | -174.8 | 0 | 107.9 | V242 F262 N299 M300 G302 | V242-K260 HydrophobicContact CB-CB 4.04Å; V242-K260 WeakPolarHBondContact CB-O 3.5Å; V242-K260 HydrophobicContact CG2-CB 4.05Å; V242-K260 HydrophobicContact CG2-CG 4.49Å; V242-K260 PolarHBondContact N-O 3.16Å; K260-F262 HydrophobicContact CD-CE2 4.33Å; K260-F262 HydrophobicContact CD-CZ 4.08Å; K260-F262 HydrophobicContact CG-CE2 4.44Å; K260-N299 PolarHBondContact NZ-O 3Å; K260-M300 PolarHBondContact NZ-O 3.22Å; K260-G302 PolarHBondContact NZ-O 3.25Å |
| 261 | S | 94 | Very high | 79.9 | Confident | 44 Ų | 44 | 89.7 Ų | 89.7 | 31% | 0.308 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.6 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | I240 T305 | I240-S261 CarbonylContact O-C 3.53Å; I240-S261 WeakPolarHBondContact O-CA 3.23Å; S261-T305 VanDerWaalsContact O-CG2 3.31Å; S261-T305 WeakPolarHBondContact O-CG2 3.02Å |
| 262 | F | 94.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | 167.7 | -53.2 | -97.4 | 0 | 0 | 0 | 107.6 | I239 I240 V242 K260 F298 M300 T305 | I239-F262 WeakPolarHBondContact CA-O 3.4Å; I240-F262 HydrophobicContact CB-CB 4.2Å; I240-F262 HydrophobicContact CB-CD2 4.29Å; I240-F262 HydrophobicContact CG2-CD2 4.49Å; I240-F262 PolarHBondContact N-O 3.38Å; I240-F262 PolarHBondContact O-N 2.58Å; V242-F262 HydrophobicContact CG2-CE2 3.97Å; K260-F262 HydrophobicContact CD-CE2 4.33Å; K260-F262 HydrophobicContact CD-CZ 4.08Å; K260-F262 HydrophobicContact CG-CE2 4.44Å; F262-F298 HydrophobicContact CB-CD1 4.25Å; F262-F298 HydrophobicContact CB-CE1 4.09Å; F262-F298 HydrophobicContact CB-CZ 4.3Å; F262-F298 HydrophobicContact CD1-CB 3.95Å; F262-F298 AromaticContact CD1-CD1 3.5Å; F262-F298 HydrophobicContact CD1-CD1 3.5Å; F262-F298 VanDerWaalsContact CD1-CD1 3.5Å; F262-F298 HydrophobicContact CD1-CE1 4.13Å; F262-F298 AromaticContact CD1-CG 3.83Å; F262-F298 HydrophobicContact CD1-CG 3.83Å; F262-F298 HydrophobicContact CE1-CB 3.81Å; F262-F298 HydrophobicContact CE1-CD1 4.14Å; F262-F298 HydrophobicContact CE1-CG 4.22Å; F262-F298 HydrophobicContact CG-CD1 4.16Å; F262-F298 HydrophobicContact CG-CE1 4.49Å; F262-F298 HydrophobicContact CG-CG 4.31Å; F262-F298 HydrophobicContact CZ-CB 4.36Å; F262-M300 HydrophobicContact CE2-CE 4.01Å; F262-M300 HydrophobicContact CE2-SD 3.53Å; F262-M300 VanDerWaalsContact CE2-SD 3.53Å; F262-M300 HydrophobicContact CZ-CE 4.36Å; F262-M300 HydrophobicContact CZ-SD 3.49Å; F262-M300 WeakPolarHBondContact CZ-SD 3.39Å; F262-T305 HydrophobicContact CD1-CG2 4.36Å |
| 263 | L | 92.6 | Very high | 82.8 | Confident | 108 Ų | 108 | 78.9 Ų | 78.9 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 150.8 | 177.6 | -52 | -179.1 | 0 | 0 | 0 | 109.3 | I239 P265 | I239-L263 HydrophobicContact CD1-CD2 3.89Å; I239-L263 HydrophobicContact CG1-CD2 3.77Å; I239-L263 HydrophobicContact CG2-CD2 4.26Å; L263-P265 WeakPolarHBondContact O-CD 3.49Å |
| 264 | Y | 92.4 | Very high | 84.8 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | trans | -49.8 | 121.5 | 168.5 | 172.3 | -111.6 | 0 | 0 | 0 | 110.5 | G238 G266 S268 L272 Y274 D292 Y296 | G238-Y264 WeakPolarHBondContact O-CB 3.5Å; G238-Y264 PolarHBondContact O-N 3.46Å; Y264-G266 VanDerWaalsContact CE1-O 3.29Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å; Y264-G266 VanDerWaalsContact CZ-CA 3.42Å; Y264-G266 WeakPolarHBondContact OH-CA 3.3Å; Y264-S268 WeakPolarHBondContact OH-CB 3.4Å; Y264-L272 HydrophobicContact CD1-CD1 4.42Å; Y264-L272 HydrophobicContact CD2-CD1 4.35Å; Y264-L272 HydrophobicContact CE1-CD1 3.75Å; Y264-L272 HydrophobicContact CE2-CD1 3.7Å; Y264-L272 WeakPolarHBondContact OH-CD1 3.39Å; Y264-Y274 WeakPolarHBondContact CA-OH 3.32Å; Y264-D292 VanDerWaalsContact CE2-OD2 3.23Å; Y264-D292 WeakPolarHBondContact CE2-OD2 3.33Å; Y264-D292 VanDerWaalsContact CZ-OD2 3.31Å; Y264-D292 PolarHBondContact OH-OD2 3.06Å; Y264-Y296 HydrophobicContact CD2-CE2 4.33Å; Y264-Y296 HydrophobicContact CE2-CE2 4.09Å | ||
| 265 | P | 89.1 | Confident | 86.4 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | trans | -96.5 | -4.8 | -170.5 | 38 | -37.3 | 0 | 0 | 0 | 114 | L263 Y296 F298 P307 | L263-P265 WeakPolarHBondContact O-CD 3.49Å; P265-Y296 HydrophobicContact CG-CD1 3.56Å; P265-Y296 HydrophobicContact CG-CD2 4.17Å; P265-Y296 HydrophobicContact CG-CE1 3.45Å; P265-Y296 VanDerWaalsContact CG-CE1 3.45Å; P265-Y296 HydrophobicContact CG-CE2 4.03Å; P265-Y296 HydrophobicContact CG-CG 3.92Å; P265-F298 HydrophobicContact CG-CZ 4.25Å; P265-P307 VanDerWaalsContact CB-CD 3.49Å; P265-P307 HydrophobicContact CB-CG 3.8Å; P265-P307 HydrophobicContact CG-CG 3.86Å | ||
| 266 | G | 84.6 | Confident | 87.7 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -81.5 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y264 | Y264-G266 VanDerWaalsContact CE1-O 3.29Å; Y264-G266 WeakPolarHBondContact CE1-O 3.49Å; Y264-G266 VanDerWaalsContact CZ-CA 3.42Å; Y264-G266 WeakPolarHBondContact OH-CA 3.3Å |
| 267 | S | 81.4 | Confident | 88.4 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 85% | 0.846 | 32% | 0.319 | S | S | * | . | trans | -101.3 | 2.4 | -174 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 268 | S | 83.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | trans | -62.9 | 134.8 | -179.6 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | Y264 R270 | Y264-S268 WeakPolarHBondContact OH-CB 3.4Å; S268-R270 PolarHBondContact OG-N 2.89Å | ||
| 269 | T | 74.9 | Confident | 89.4 | Confident | 147 Ų | 147 | 53.4 Ų | 53.4 | 90% | 0.902 | 30% | 0.296 | S | S | * | . | trans | -87.8 | -4.4 | 173.4 | 54 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 270 | R | 79.3 | Confident | 89.6 | Confident | 203 Ų | 203 | 51.1 Ų | 51.1 | 77% | 0.766 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -74.3 | 147.7 | 174 | -62.2 | -177.1 | 177.2 | -172.6 | -1.3 | 109.5 | S268 L272 | S268-R270 PolarHBondContact OG-N 2.89Å; R270-L272 HydrophobicContact CB-CG 4.5Å; R270-L272 PolarHBondContact O-N 2.83Å |
| 271 | K | 76.1 | Confident | 89.6 | Confident | 134 Ų | 134 | 52.8 Ų | 52.8 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | trans | -70.5 | 111.9 | 168.6 | -63.6 | -174.7 | 179.3 | 174.7 | 0 | 108.3 | V236 | V236-K271 HydrophobicContact CG1-CB 3.47Å; V236-K271 VanDerWaalsContact CG1-CB 3.47Å; V236-K271 HydrophobicContact CG1-CD 3.79Å; V236-K271 HydrophobicContact CG1-CG 4.25Å | ||
| 272 | L | 84.1 | Confident | 89.6 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | trans | -112.6 | 167.2 | -177.7 | -67.7 | 167.4 | 0 | 0 | 0 | 110.4 | A235 V236 G238 Y264 R270 T291 D292 | A235-L272 CarbonylContact O-C 3.55Å; V236-L272 CarbonylContact C-O 3.49Å; G238-L272 VanDerWaalsContact CA-O 3.27Å; G238-L272 WeakPolarHBondContact CA-O 3.35Å; G238-L272 PolarHBondContact N-O 3.07Å; Y264-L272 HydrophobicContact CD1-CD1 4.42Å; Y264-L272 HydrophobicContact CD2-CD1 4.35Å; Y264-L272 HydrophobicContact CE1-CD1 3.75Å; Y264-L272 HydrophobicContact CE2-CD1 3.7Å; Y264-L272 WeakPolarHBondContact OH-CD1 3.39Å; R270-L272 HydrophobicContact CB-CG 4.5Å; R270-L272 PolarHBondContact O-N 2.83Å; L272-T291 VanDerWaalsContact CD2-O 3.24Å; L272-T291 WeakPolarHBondContact CD2-O 3.42Å; L272-T291 WeakPolarHBondContact CD2-OG1 3.33Å; L272-D292 HydrophobicContact CD1-CB 3.81Å; L272-D292 HydrophobicContact CD2-CB 4.24Å | ||
| 273 | G | 90.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -150.8 | -166.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | G234 A235 C290 T291 | G234-G273 WeakPolarHBondContact O-CA 3.22Å; A235-G273 VanDerWaalsContact O-CA 3.3Å; A235-G273 WeakPolarHBondContact O-CA 3.35Å; A235-G273 PolarHBondContact O-N 2.87Å; G273-C290 WeakPolarHBondContact O-CA 3.36Å; G273-C290 PolarHBondContact O-SG 3.09Å; G273-T291 PolarHBondContact N-OG1 2.91Å; G273-T291 PolarHBondContact O-N 3.15Å; G273-T291 PolarHBondContact O-OG1 2.88Å | ||
| 274 | Y | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.9 | -179.4 | -53.3 | -90.8 | 0 | 0 | 0 | 110.4 | T220 A233 G234 I240 Y264 A288 N289 C290 Y296 | T220-Y274 VanDerWaalsContact CB-O 3.28Å; T220-Y274 WeakPolarHBondContact CB-O 3.45Å; T220-Y274 PolarHBondContact OG1-O 3.04Å; A233-Y274 HydrophobicContact CB-CD2 3.92Å; A233-Y274 HydrophobicContact CB-CG 4.21Å; G234-Y274 PolarHBondContact O-N 2.73Å; I240-Y274 HydrophobicContact CD1-CD1 4.38Å; I240-Y274 HydrophobicContact CD1-CE1 4.06Å; I240-Y274 HydrophobicContact CD1-CE2 4.21Å; I240-Y274 HydrophobicContact CG1-CD2 3.78Å; I240-Y274 HydrophobicContact CG1-CE1 4.23Å; I240-Y274 HydrophobicContact CG1-CE2 3.47Å; I240-Y274 VanDerWaalsContact CG1-CE2 3.47Å; I240-Y274 HydrophobicContact CG1-CG 4.29Å; Y264-Y274 WeakPolarHBondContact CA-OH 3.32Å; Y274-A288 HydrophobicContact CD1-CB 3.71Å; Y274-A288 HydrophobicContact CE1-CB 3.97Å; Y274-N289 CarbonylContact C-O 3.54Å; Y274-N289 VanDerWaalsContact CA-O 3.25Å; Y274-N289 WeakPolarHBondContact CA-O 3.43Å; Y274-C290 HydrophobicContact CD1-CB 3.77Å; Y274-C290 HydrophobicContact CE1-CB 3.84Å; Y274-Y296 HydrophobicContact CE1-CD2 4.21Å |
| 275 | S | 94.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -33 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | V221 N289 N316 T318 V321 | V221-S275 WeakPolarHBondContact CG2-O 3.48Å; S275-N289 PolarHBondContact N-O 3.4Å; S275-N289 PolarHBondContact OG-ND2 2.83Å; S275-N289 VanDerWaalsContact OG-ND2 3.14Å; S275-N289 PolarHBondContact OG-O 3.05Å; S275-N316 PolarHBondContact OG-ND2 2.8Å; S275-T318 WeakPolarHBondContact CB-O 3.47Å; S275-V321 WeakPolarHBondContact CB-O 3.4Å; S275-V321 PolarHBondContact OG-O 3.44Å |
| 276 | S | 96.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.8 | -177.5 | -156.8 | 0 | 0 | 0 | 0 | 111.2 | A288 N289 S323 | S276-A288 WeakPolarHBondContact O-CA 3.34Å; S276-N289 PolarHBondContact O-N 3.05Å; S276-S323 PolarHBondContact OG-N 2.79Å |
| 277 | L | 97.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 148.7 | 165.3 | -59.7 | 178.6 | 0 | 0 | 0 | 108.5 | V221 L223 V231 A233 I240 L286 F287 A288 | V221-L277 HydrophobicContact CB-CB 4.37Å; V221-L277 HydrophobicContact CB-CD1 4.11Å; V221-L277 HydrophobicContact CB-CG 3.97Å; V221-L277 HydrophobicContact CG1-CB 3.8Å; V221-L277 HydrophobicContact CG1-CD1 4.19Å; V221-L277 HydrophobicContact CG1-CG 3.96Å; V221-L277 HydrophobicContact CG2-CG 4.35Å; L223-L277 HydrophobicContact CD1-CB 3.61Å; L223-L277 HydrophobicContact CG-CB 4.33Å; V231-L277 HydrophobicContact CG1-CD1 4.1Å; A233-L277 HydrophobicContact CB-CD1 3.97Å; A233-L277 HydrophobicContact CB-CD2 4.29Å; A233-L277 HydrophobicContact CB-CG 4.24Å; I240-L277 HydrophobicContact CD1-CD2 4Å; I240-L277 HydrophobicContact CG1-CD2 4.4Å; I240-L277 HydrophobicContact CG2-CD1 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.39Å; L277-L286 HydrophobicContact CB-CD1 4.28Å; L277-F287 CarbonylContact C-O 3.53Å; L277-F287 VanDerWaalsContact CA-O 3.3Å; L277-F287 WeakPolarHBondContact CA-O 3.25Å; L277-A288 HydrophobicContact CD2-CB 3.53Å |
| 278 | I | 97.3 | Very high | 91.6 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.3 | 168.9 | -27.5 | 165.4 | 0 | 0 | 0 | 108.7 | L286 F287 S323 L325 L332 | I278-L286 CarbonylContact O-C 3.57Å; I278-L286 WeakPolarHBondContact O-CA 3.46Å; I278-F287 HydrophobicContact CB-CB 4.37Å; I278-F287 HydrophobicContact CD1-CB 4.28Å; I278-F287 HydrophobicContact CG1-CB 4.37Å; I278-F287 PolarHBondContact N-O 3.07Å; I278-F287 PolarHBondContact O-N 2.85Å; I278-S323 VanDerWaalsContact CD1-C 3.48Å; I278-L325 HydrophobicContact CB-CD1 4.35Å; I278-L325 HydrophobicContact CB-CG 4.47Å; I278-L325 HydrophobicContact CD1-CG 4Å; I278-L325 HydrophobicContact CG2-CD1 3.89Å; I278-L325 HydrophobicContact CG2-CG 4.03Å; I278-L332 HydrophobicContact CD1-CD1 3.48Å; I278-L332 VanDerWaalsContact CD1-CD1 3.48Å |
| 279 | L | 96.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.089 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.2 | 164.1 | -72.6 | 167.2 | 0 | 0 | 0 | 109.6 | L223 F224 Q225 T285 L286 M300 | L223-L279 HydrophobicContact CD1-CG 4.31Å; F224-L279 WeakPolarHBondContact O-CD1 3.41Å; Q225-L279 HydrophobicContact CB-CD1 3.83Å; Q225-L279 HydrophobicContact CG-CD1 4.08Å; L279-T285 WeakPolarHBondContact CA-O 3.45Å; L279-L286 HydrophobicContact CD2-CB 3.85Å; L279-L286 HydrophobicContact CD2-CD1 3.69Å; L279-L286 HydrophobicContact CD2-CG 4.4Å; L279-L286 HydrophobicContact CG-CD1 3.95Å; L279-M300 HydrophobicContact CD2-CG 3.86Å |
| 280 | D | 95.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | trans | -60.7 | 173.2 | 171.1 | 75.6 | -52.3 | 0 | 0 | 0 | 112.4 | K150 T282 G283 S284 T285 L325 D329 | K150-D280 PolarHBondContact NZ-O 3.02Å; D280-T282 PolarHBondContact O-N 3.36Å; D280-T282 PolarHBondContact OD1-OG1 2.84Å; D280-T282 WeakPolarHBondContact OD2-CB 3.44Å; D280-T282 PolarHBondContact OD2-N 3.04Å; D280-T282 PolarHBondContact OD2-OG1 2.86Å; D280-G283 PolarHBondContact O-N 2.59Å; D280-G283 WeakPolarHBondContact OD1-CA 3.23Å; D280-G283 PolarHBondContact OD1-N 2.97Å; D280-S284 PolarHBondContact OD1-N 2.99Å; D280-T285 PolarHBondContact N-O 2.76Å; D280-T285 VanDerWaalsContact N-O 3.09Å; D280-T285 PolarHBondContact OD1-N 3.37Å; D280-L325 HydrophobicContact CB-CD1 4.33Å; D280-D329 WeakPolarHBondContact CA-OD1 3.43Å; D280-D329 HydrophobicContact CB-CB 4.5Å | ||
| 281 | S | 92.7 | Very high | 93.9 | Very high | 82 Ų | 82 | 24.3 Ų | 24.3 | 57% | 0.573 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.7 | 176.8 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | K150 D329 | K150-S281 PolarHBondContact NZ-O 3.11Å; S281-D329 WeakPolarHBondContact CB-OD2 3.38Å; S281-D329 PolarHBondContact N-OD1 2.86Å; S281-D329 VanDerWaalsContact N-OD1 3.12Å; S281-D329 PolarHBondContact N-OD2 2.82Å; S281-D329 PolarHBondContact OG-OD2 3.17Å |
| 282 | T | 92.4 | Very high | 94.7 | Very high | 100 Ų | 100 | 19.4 Ų | 19.4 | 61% | 0.613 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.5 | -177.8 | 79.8 | 0 | 0 | 0 | 0 | 114.9 | D280 S284 | D280-T282 PolarHBondContact O-N 3.36Å; D280-T282 PolarHBondContact OD1-OG1 2.84Å; D280-T282 WeakPolarHBondContact OD2-CB 3.44Å; D280-T282 PolarHBondContact OD2-N 3.04Å; D280-T282 PolarHBondContact OD2-OG1 2.86Å; T282-S284 PolarHBondContact O-N 2.86Å; T282-S284 VanDerWaalsContact OG1-CB 3.31Å; T282-S284 WeakPolarHBondContact OG1-CB 3.33Å; T282-S284 PolarHBondContact OG1-N 3.14Å; T282-S284 PolarHBondContact OG1-OG 2.95Å |
| 283 | G | 93.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 71.2 | 16.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q225 D280 | Q225-G283 WeakPolarHBondContact CG-O 3.31Å; Q225-G283 PolarHBondContact NE2-O 3.25Å; D280-G283 PolarHBondContact O-N 2.59Å; D280-G283 WeakPolarHBondContact OD1-CA 3.23Å; D280-G283 PolarHBondContact OD1-N 2.97Å |
| 284 | S | 93.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 23% | 0.231 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -97.2 | -22.8 | 180 | 71.6 | 0 | 0 | 0 | 0 | 113.5 | D280 T282 M300 | D280-S284 PolarHBondContact OD1-N 2.99Å; T282-S284 PolarHBondContact O-N 2.86Å; T282-S284 VanDerWaalsContact OG1-CB 3.31Å; T282-S284 WeakPolarHBondContact OG1-CB 3.33Å; T282-S284 PolarHBondContact OG1-N 3.14Å; T282-S284 PolarHBondContact OG1-OG 2.95Å; S284-M300 WeakPolarHBondContact O-CB 3.35Å; S284-M300 PolarHBondContact O-N 2.89Å |
| 285 | T | 96.6 | Very high | 95.6 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 20% | 0.202 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.3 | -175.8 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | L279 D280 F287 M297 | L279-T285 WeakPolarHBondContact CA-O 3.45Å; D280-T285 PolarHBondContact N-O 2.76Å; D280-T285 VanDerWaalsContact N-O 3.09Å; D280-T285 PolarHBondContact OD1-N 3.37Å; T285-F287 HydrophobicContact CG2-CD2 4.46Å; T285-F287 HydrophobicContact CG2-CE2 3.75Å; T285-F287 HydrophobicContact CG2-CZ 3.84Å; T285-M297 HydrophobicContact CG2-CG 3.48Å; T285-M297 VanDerWaalsContact CG2-CG 3.48Å; T285-M297 HydrophobicContact CG2-SD 3.88Å |
| 286 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.7 | 179.9 | 178.9 | 79.6 | 0 | 0 | 0 | 110.2 | V231 I240 L277 I278 L279 M297 F298 M300 | V231-L286 HydrophobicContact CG1-CD1 4.43Å; V231-L286 HydrophobicContact CG1-CD2 4.38Å; I240-L286 HydrophobicContact CD1-CD2 3.87Å; I240-L286 HydrophobicContact CG2-CD2 3.95Å; L277-L286 HydrophobicContact CB-CD1 4.28Å; I278-L286 CarbonylContact O-C 3.57Å; I278-L286 WeakPolarHBondContact O-CA 3.46Å; L279-L286 HydrophobicContact CD2-CB 3.85Å; L279-L286 HydrophobicContact CD2-CD1 3.69Å; L279-L286 HydrophobicContact CD2-CG 4.4Å; L279-L286 HydrophobicContact CG-CD1 3.95Å; L286-M297 CarbonylContact O-C 3.54Å; L286-M297 WeakPolarHBondContact O-CA 3.32Å; L286-F298 HydrophobicContact CB-CB 4.4Å; L286-F298 HydrophobicContact CD2-CD2 4.43Å; L286-F298 PolarHBondContact N-O 2.86Å; L286-F298 PolarHBondContact O-N 2.72Å; L286-M300 HydrophobicContact CB-CG 3.8Å; L286-M300 HydrophobicContact CB-SD 3.58Å; L286-M300 VanDerWaalsContact CB-SD 3.58Å; L286-M300 HydrophobicContact CD2-SD 3.8Å; L286-M300 HydrophobicContact CG-SD 4.22Å |
| 287 | F | 98.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.7 | 170 | -58.7 | -95.1 | 0 | 0 | 0 | 108.7 | L277 I278 T285 I295 Y296 M297 F311 L325 L332 V346 | L277-F287 CarbonylContact C-O 3.53Å; L277-F287 VanDerWaalsContact CA-O 3.3Å; L277-F287 WeakPolarHBondContact CA-O 3.25Å; I278-F287 HydrophobicContact CB-CB 4.37Å; I278-F287 HydrophobicContact CD1-CB 4.28Å; I278-F287 HydrophobicContact CG1-CB 4.37Å; I278-F287 PolarHBondContact N-O 3.07Å; I278-F287 PolarHBondContact O-N 2.85Å; T285-F287 HydrophobicContact CG2-CD2 4.46Å; T285-F287 HydrophobicContact CG2-CE2 3.75Å; T285-F287 HydrophobicContact CG2-CZ 3.84Å; F287-I295 HydrophobicContact CB-CG2 4.27Å; F287-Y296 CarbonylContact C-O 3.55Å; F287-Y296 WeakPolarHBondContact CA-O 3.24Å; F287-M297 HydrophobicContact CD1-CB 4.32Å; F287-M297 HydrophobicContact CD1-CG 4.02Å; F287-M297 HydrophobicContact CD1-SD 4.49Å; F287-M297 HydrophobicContact CE1-CB 4.31Å; F287-M297 HydrophobicContact CE1-CG 3.66Å; F287-M297 HydrophobicContact CE1-SD 3.6Å; F287-M297 VanDerWaalsContact CE1-SD 3.6Å; F287-M297 HydrophobicContact CZ-CG 4.05Å; F287-M297 HydrophobicContact CZ-SD 3.86Å; F287-F311 AromaticContact CD1-CE2 3.86Å; F287-F311 HydrophobicContact CD1-CE2 3.86Å; F287-F311 AromaticContact CE1-CE2 3.72Å; F287-F311 HydrophobicContact CE1-CE2 3.72Å; F287-F311 HydrophobicContact CE1-CZ 4.07Å; F287-L325 HydrophobicContact CD2-CD1 3.87Å; F287-L325 HydrophobicContact CD2-CD2 4.02Å; F287-L325 HydrophobicContact CD2-CG 4.36Å; F287-L325 HydrophobicContact CE2-CD1 3.79Å; F287-L325 HydrophobicContact CE2-CD2 3.82Å; F287-L325 HydrophobicContact CE2-CG 4.4Å; F287-L325 HydrophobicContact CG-CD2 4.48Å; F287-L325 HydrophobicContact CZ-CD2 4.08Å; F287-L332 HydrophobicContact CB-CD1 4.38Å; F287-L332 HydrophobicContact CD1-CD1 4.3Å; F287-L332 HydrophobicContact CD1-CD2 4Å; F287-L332 HydrophobicContact CG-CD1 4.36Å; F287-V346 HydrophobicContact CE1-CG1 4.06Å; F287-V346 HydrophobicContact CE1-CG2 4.08Å; F287-V346 HydrophobicContact CZ-CG1 3.8Å; F287-V346 HydrophobicContact CZ-CG2 4.06Å |
| 288 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 108.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111.1 | I240 Y274 S276 L277 C290 I295 Y296 F298 | I240-A288 HydrophobicContact CD1-CB 3.48Å; I240-A288 VanDerWaalsContact CD1-CB 3.48Å; Y274-A288 HydrophobicContact CD1-CB 3.71Å; Y274-A288 HydrophobicContact CE1-CB 3.97Å; S276-A288 WeakPolarHBondContact O-CA 3.34Å; L277-A288 HydrophobicContact CD2-CB 3.53Å; A288-C290 PolarHBondContact O-N 3.5Å; A288-I295 WeakPolarHBondContact O-CA 3.38Å; A288-Y296 PolarHBondContact N-O 2.77Å; A288-Y296 PolarHBondContact O-N 3.49Å; A288-F298 HydrophobicContact CB-CD2 4.43Å; A288-F298 HydrophobicContact CB-CE2 4.2Å |
| 289 | N | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 110.9 | 179.6 | -172 | 16.9 | 0 | 0 | 0 | 109 | Y274 S275 S276 I295 H314 N316 V321 S323 S334 | Y274-N289 CarbonylContact C-O 3.54Å; Y274-N289 VanDerWaalsContact CA-O 3.25Å; Y274-N289 WeakPolarHBondContact CA-O 3.43Å; S275-N289 PolarHBondContact N-O 3.4Å; S275-N289 PolarHBondContact OG-ND2 2.83Å; S275-N289 VanDerWaalsContact OG-ND2 3.14Å; S275-N289 PolarHBondContact OG-O 3.05Å; S276-N289 PolarHBondContact O-N 3.05Å; N289-I295 HydrophobicContact CB-CG1 4.11Å; N289-H314 PolarHBondContact OD1-NE2 2.81Å; N289-N316 VanDerWaalsContact CG-ND2 3.27Å; N289-N316 PolarHBondContact ND2-ND2 3Å; N289-N316 PolarHBondContact OD1-ND2 3.2Å; N289-V321 PolarHBondContact ND2-O 3.47Å; N289-V321 VanDerWaalsContact ND2-O 3.09Å; N289-S323 PolarHBondContact ND2-OG 3.08Å; N289-S334 PolarHBondContact ND2-OG 2.9Å |
| 290 | C | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 152.7 | -175.3 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | G273 Y274 A288 D292 N294 Y296 N316 | G273-C290 WeakPolarHBondContact O-CA 3.36Å; G273-C290 PolarHBondContact O-SG 3.09Å; Y274-C290 HydrophobicContact CD1-CB 3.77Å; Y274-C290 HydrophobicContact CE1-CB 3.84Å; A288-C290 PolarHBondContact O-N 3.5Å; C290-D292 WeakPolarHBondContact CB-OD1 3.24Å; C290-D292 PolarHBondContact O-N 3.32Å; C290-N294 PolarHBondContact N-O 3.01Å; C290-Y296 HydrophobicContact CB-CD2 3.91Å; C290-Y296 HydrophobicContact CB-CE2 3.72Å; C290-N316 VanDerWaalsContact C-ND2 3.34Å; C290-N316 PolarHBondContact O-ND2 2.83Å |
| 291 | T | 93.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 14% | 0.141 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 34.2 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | L272 G273 N316 F319 | L272-T291 VanDerWaalsContact CD2-O 3.24Å; L272-T291 WeakPolarHBondContact CD2-O 3.42Å; L272-T291 WeakPolarHBondContact CD2-OG1 3.33Å; G273-T291 PolarHBondContact N-OG1 2.91Å; G273-T291 PolarHBondContact O-N 3.15Å; G273-T291 PolarHBondContact O-OG1 2.88Å; T291-N316 CarbonylContact C-O 3.54Å; T291-N316 VanDerWaalsContact CA-O 3.24Å; T291-N316 WeakPolarHBondContact CA-O 3.5Å; T291-F319 HydrophobicContact CG2-CD1 3.74Å; T291-F319 HydrophobicContact CG2-CE1 3.39Å; T291-F319 HydrophobicContact CG2-CZ 3.94Å |
| 292 | D | 93.3 | Very high | 95 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 27.1 | 176.9 | 82.3 | -30.6 | 0 | 0 | 0 | 111.9 | Y264 L272 C290 N294 Y296 | Y264-D292 VanDerWaalsContact CE2-OD2 3.23Å; Y264-D292 WeakPolarHBondContact CE2-OD2 3.33Å; Y264-D292 VanDerWaalsContact CZ-OD2 3.31Å; Y264-D292 PolarHBondContact OH-OD2 3.06Å; L272-D292 HydrophobicContact CD1-CB 3.81Å; L272-D292 HydrophobicContact CD2-CB 4.24Å; C290-D292 WeakPolarHBondContact CB-OD1 3.24Å; C290-D292 PolarHBondContact O-N 3.32Å; D292-N294 PolarHBondContact O-N 3.29Å; D292-N294 PolarHBondContact O-ND2 3.2Å; D292-N294 WeakPolarHBondContact OD1-CB 3.27Å; D292-N294 PolarHBondContact OD1-ND2 3.19Å; D292-N294 VanDerWaalsContact OD1-ND2 3.09Å; D292-N294 PolarHBondContact OD2-ND2 2.81Å; D292-Y296 PolarHBondContact OD2-OH 2.84Å; D292-Y296 VanDerWaalsContact OD2-OH 3.06Å |
| 293 | D | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 30.1 Ų | 30.1 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 66.8 | 18.7 | 176.7 | -48.2 | -41.8 | 0 | 0 | 0 | 114.6 | H314 Q315 N316 | D293-H314 PolarHBondContact O-CE1 3.39Å; D293-H314 VanDerWaalsContact O-CE1 3.29Å; D293-Q315 WeakPolarHBondContact OD1-CA 3.35Å; D293-N316 PolarHBondContact OD1-N 2.93Å |
| 294 | N | 95.6 | Very high | 94.5 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.9 | 178.9 | -54.6 | -67.2 | 0 | 0 | 0 | 112.9 | C290 D292 Y296 I310 F311 N312 | C290-N294 PolarHBondContact N-O 3.01Å; D292-N294 PolarHBondContact O-N 3.29Å; D292-N294 PolarHBondContact O-ND2 3.2Å; D292-N294 WeakPolarHBondContact OD1-CB 3.27Å; D292-N294 PolarHBondContact OD1-ND2 3.19Å; D292-N294 VanDerWaalsContact OD1-ND2 3.09Å; D292-N294 PolarHBondContact OD2-ND2 2.81Å; N294-Y296 HydrophobicContact CB-CE1 4.27Å; N294-Y296 HydrophobicContact CB-CE2 4.05Å; N294-I310 HydrophobicContact CB-CG2 3.79Å; N294-F311 WeakPolarHBondContact CA-O 3.4Å; N294-N312 VanDerWaalsContact OD1-CG 3.28Å; N294-N312 PolarHBondContact OD1-ND2 2.67Å |
| 295 | I | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.4 | 163.4 | -48.6 | 176.9 | 0 | 0 | 0 | 108.7 | F287 A288 N289 I310 F311 L332 W344 | F287-I295 HydrophobicContact CB-CG2 4.27Å; A288-I295 WeakPolarHBondContact O-CA 3.38Å; N289-I295 HydrophobicContact CB-CG1 4.11Å; I295-I310 WeakPolarHBondContact O-CA 3.06Å; I295-F311 HydrophobicContact CB-CB 4.26Å; I295-F311 HydrophobicContact CB-CD2 4.39Å; I295-F311 PolarHBondContact N-O 3.1Å; I295-F311 PolarHBondContact O-N 2.84Å; I295-L332 HydrophobicContact CB-CD2 4.35Å; I295-L332 HydrophobicContact CD1-CD2 3.86Å; I295-L332 HydrophobicContact CD1-CG 4.42Å; I295-L332 HydrophobicContact CG2-CD2 4.03Å; I295-W344 HydrophobicContact CD1-CE3 4.42Å; I295-W344 HydrophobicContact CD1-CH2 3.78Å; I295-W344 HydrophobicContact CD1-CZ3 3.69Å |
| 296 | Y | 97.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135 | 179.4 | -64.6 | -70.6 | 0 | 0 | 0 | 111.5 | Y264 P265 Y274 F287 A288 C290 D292 N294 F298 P307 I310 | Y264-Y296 HydrophobicContact CD2-CE2 4.33Å; Y264-Y296 HydrophobicContact CE2-CE2 4.09Å; P265-Y296 HydrophobicContact CG-CD1 3.56Å; P265-Y296 HydrophobicContact CG-CD2 4.17Å; P265-Y296 HydrophobicContact CG-CE1 3.45Å; P265-Y296 VanDerWaalsContact CG-CE1 3.45Å; P265-Y296 HydrophobicContact CG-CE2 4.03Å; P265-Y296 HydrophobicContact CG-CG 3.92Å; Y274-Y296 HydrophobicContact CE1-CD2 4.21Å; F287-Y296 CarbonylContact C-O 3.55Å; F287-Y296 WeakPolarHBondContact CA-O 3.24Å; A288-Y296 PolarHBondContact N-O 2.77Å; A288-Y296 PolarHBondContact O-N 3.49Å; C290-Y296 HydrophobicContact CB-CD2 3.91Å; C290-Y296 HydrophobicContact CB-CE2 3.72Å; D292-Y296 PolarHBondContact OD2-OH 2.84Å; D292-Y296 VanDerWaalsContact OD2-OH 3.06Å; N294-Y296 HydrophobicContact CB-CE1 4.27Å; N294-Y296 HydrophobicContact CB-CE2 4.05Å; Y296-F298 VanDerWaalsContact CB-CE2 3.45Å; Y296-F298 HydrophobicContact CG-CE2 4.39Å; Y296-F298 HydrophobicContact CG-CZ 4.39Å; Y296-P307 HydrophobicContact CD1-CB 4.1Å; Y296-P307 HydrophobicContact CD1-CG 4.2Å; Y296-I310 HydrophobicContact CD1-CB 4.4Å; Y296-I310 HydrophobicContact CD1-CD1 4.41Å; Y296-I310 HydrophobicContact CD1-CG1 3.98Å; Y296-I310 HydrophobicContact CD1-CG2 3.82Å; Y296-I310 HydrophobicContact CE1-CB 4.48Å; Y296-I310 HydrophobicContact CE1-CD1 4.01Å; Y296-I310 HydrophobicContact CE1-CG1 4.06Å; Y296-I310 HydrophobicContact CE1-CG2 3.67Å |
| 297 | M | 97.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.9 | 173.3 | -165.8 | 178 | 81.1 | 0 | 0 | 109.8 | T285 L286 F287 P307 V308 A309 F311 V346 | T285-M297 HydrophobicContact CG2-CG 3.48Å; T285-M297 VanDerWaalsContact CG2-CG 3.48Å; T285-M297 HydrophobicContact CG2-SD 3.88Å; L286-M297 CarbonylContact O-C 3.54Å; L286-M297 WeakPolarHBondContact O-CA 3.32Å; F287-M297 HydrophobicContact CD1-CB 4.32Å; F287-M297 HydrophobicContact CD1-CG 4.02Å; F287-M297 HydrophobicContact CD1-SD 4.49Å; F287-M297 HydrophobicContact CE1-CB 4.31Å; F287-M297 HydrophobicContact CE1-CG 3.66Å; F287-M297 HydrophobicContact CE1-SD 3.6Å; F287-M297 VanDerWaalsContact CE1-SD 3.6Å; F287-M297 HydrophobicContact CZ-CG 4.05Å; F287-M297 HydrophobicContact CZ-SD 3.86Å; M297-P307 CarbonylContact O-C 3.54Å; M297-P307 WeakPolarHBondContact O-CA 3.34Å; M297-V308 HydrophobicContact CE-CB 3.79Å; M297-V308 HydrophobicContact CE-CG1 3.64Å; M297-V308 PolarHBondContact O-N 3.29Å; M297-A309 HydrophobicContact CB-CB 3.92Å; M297-A309 HydrophobicContact CE-CB 3.72Å; M297-A309 PolarHBondContact N-O 2.96Å; M297-A309 HydrophobicContact SD-CB 4.22Å; M297-F311 HydrophobicContact CB-CE2 4.11Å; M297-F311 HydrophobicContact SD-CE2 4.31Å; M297-F311 HydrophobicContact SD-CZ 4.35Å; M297-V346 HydrophobicContact SD-CG1 4.1Å |
| 298 | F | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.8 | 179.1 | -63.3 | -82.5 | 0 | 0 | 0 | 111.5 | I240 F262 P265 L286 A288 Y296 T305 P307 | I240-F298 HydrophobicContact CD1-CD2 4Å; I240-F298 HydrophobicContact CD1-CE2 3.67Å; F262-F298 HydrophobicContact CB-CD1 4.25Å; F262-F298 HydrophobicContact CB-CE1 4.09Å; F262-F298 HydrophobicContact CB-CZ 4.3Å; F262-F298 HydrophobicContact CD1-CB 3.95Å; F262-F298 AromaticContact CD1-CD1 3.5Å; F262-F298 HydrophobicContact CD1-CD1 3.5Å; F262-F298 VanDerWaalsContact CD1-CD1 3.5Å; F262-F298 HydrophobicContact CD1-CE1 4.13Å; F262-F298 AromaticContact CD1-CG 3.83Å; F262-F298 HydrophobicContact CD1-CG 3.83Å; F262-F298 HydrophobicContact CE1-CB 3.81Å; F262-F298 HydrophobicContact CE1-CD1 4.14Å; F262-F298 HydrophobicContact CE1-CG 4.22Å; F262-F298 HydrophobicContact CG-CD1 4.16Å; F262-F298 HydrophobicContact CG-CE1 4.49Å; F262-F298 HydrophobicContact CG-CG 4.31Å; F262-F298 HydrophobicContact CZ-CB 4.36Å; P265-F298 HydrophobicContact CG-CZ 4.25Å; L286-F298 HydrophobicContact CB-CB 4.4Å; L286-F298 HydrophobicContact CD2-CD2 4.43Å; L286-F298 PolarHBondContact N-O 2.86Å; L286-F298 PolarHBondContact O-N 2.72Å; A288-F298 HydrophobicContact CB-CD2 4.43Å; A288-F298 HydrophobicContact CB-CE2 4.2Å; Y296-F298 VanDerWaalsContact CB-CE2 3.45Å; Y296-F298 HydrophobicContact CG-CE2 4.39Å; Y296-F298 HydrophobicContact CG-CZ 4.39Å; F298-T305 WeakPolarHBondContact CE1-O 3.43Å; F298-P307 HydrophobicContact CD1-CB 4.34Å; F298-P307 HydrophobicContact CE1-CB 4.08Å |
| 299 | N | 95.2 | Very high | 93.9 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119.7 | 170.6 | -174.8 | -38 | 0 | 0 | 0 | 109.9 | K260 T301 G302 V308 | K260-N299 PolarHBondContact NZ-O 3Å; N299-T301 PolarHBondContact OD1-N 2.63Å; N299-T301 PolarHBondContact OD1-OG1 3.5Å; N299-T301 VanDerWaalsContact OD1-OG1 3.05Å; N299-G302 PolarHBondContact OD1-N 2.9Å; N299-V308 HydrophobicContact CB-CG2 3.95Å |
| 300 | M | 93.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -77.1 | -38.5 | -177.8 | -64.1 | -59.4 | -69.9 | 0 | 0 | 112.7 | V231 V242 K260 F262 L279 S284 L286 | V231-M300 HydrophobicContact CG2-CE 3.65Å; V242-M300 HydrophobicContact CG2-CE 3.88Å; K260-M300 PolarHBondContact NZ-O 3.22Å; F262-M300 HydrophobicContact CE2-CE 4.01Å; F262-M300 HydrophobicContact CE2-SD 3.53Å; F262-M300 VanDerWaalsContact CE2-SD 3.53Å; F262-M300 HydrophobicContact CZ-CE 4.36Å; F262-M300 HydrophobicContact CZ-SD 3.49Å; F262-M300 WeakPolarHBondContact CZ-SD 3.39Å; L279-M300 HydrophobicContact CD2-CG 3.86Å; S284-M300 WeakPolarHBondContact O-CB 3.35Å; S284-M300 PolarHBondContact O-N 2.89Å; L286-M300 HydrophobicContact CB-CG 3.8Å; L286-M300 HydrophobicContact CB-SD 3.58Å; L286-M300 VanDerWaalsContact CB-SD 3.58Å; L286-M300 HydrophobicContact CD2-SD 3.8Å; L286-M300 HydrophobicContact CG-SD 4.22Å |
| 301 | T | 90.2 | Very high | 93.9 | Very high | 108 Ų | 108 | 50.6 Ų | 50.6 | 66% | 0.663 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -80.3 | -28.3 | -177.5 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | N299 | N299-T301 PolarHBondContact OD1-N 2.63Å; N299-T301 PolarHBondContact OD1-OG1 3.5Å; N299-T301 VanDerWaalsContact OD1-OG1 3.05Å |
| 302 | G | 86.8 | Confident | 94 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -73 | 155.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K260 N299 K304 | K260-G302 PolarHBondContact NZ-O 3.25Å; N299-G302 PolarHBondContact OD1-N 2.9Å; G302-K304 VanDerWaalsContact C-N 3.31Å |
| 303 | L | 86.6 | Confident | 93.9 | Very high | 176 Ų | 176 | 53.5 Ų | 53.5 | 92% | 0.921 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -75.5 | -17.4 | 175.7 | -62 | 178 | 0 | 0 | 0 | 113.6 | ||
| 304 | K | 89.3 | Confident | 93.9 | Very high | 163 Ų | 163 | 50.4 Ų | 50.4 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | trans | -72.9 | 132.6 | 177.5 | -66.9 | -175.3 | 178.6 | -178.6 | 0 | 110.5 | G302 | G302-K304 VanDerWaalsContact C-N 3.31Š| ||
| 305 | T | 90.1 | Very high | 94 | Very high | 66 Ų | 66 | 54 Ų | 54 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | trans | -101.7 | -4 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | S261 F262 F298 | S261-T305 VanDerWaalsContact O-CG2 3.31Å; S261-T305 WeakPolarHBondContact O-CG2 3.02Å; F262-T305 HydrophobicContact CD1-CG2 4.36Å; F298-T305 WeakPolarHBondContact CE1-O 3.43Å | ||
| 306 | S | 92.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.6 | 149.9 | 169.6 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 307 | P | 95.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 58 Ų | 58 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | trans | -62.1 | 148.4 | 170.6 | 28.4 | -35.6 | 0 | 0 | 0 | 111.3 | P265 Y296 M297 F298 | P265-P307 VanDerWaalsContact CB-CD 3.49Å; P265-P307 HydrophobicContact CB-CG 3.8Å; P265-P307 HydrophobicContact CG-CG 3.86Å; Y296-P307 HydrophobicContact CD1-CB 4.1Å; Y296-P307 HydrophobicContact CD1-CG 4.2Å; M297-P307 CarbonylContact O-C 3.54Å; M297-P307 WeakPolarHBondContact O-CA 3.34Å; F298-P307 HydrophobicContact CD1-CB 4.34Å; F298-P307 HydrophobicContact CE1-CB 4.08Å | ||
| 308 | V | 95.8 | Very high | 93 | Very high | 94 Ų | 94 | 57.9 Ų | 57.9 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -89.4 | -35 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | M297 N299 | M297-V308 HydrophobicContact CE-CB 3.79Å; M297-V308 HydrophobicContact CE-CG1 3.64Å; M297-V308 PolarHBondContact O-N 3.29Å; N299-V308 HydrophobicContact CB-CG2 3.95Å |
| 309 | A | 96.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 12% | 0.116 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 163.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M297 P349 | M297-A309 HydrophobicContact CB-CB 3.92Å; M297-A309 HydrophobicContact CE-CB 3.72Å; M297-A309 PolarHBondContact N-O 2.96Å; M297-A309 HydrophobicContact SD-CB 4.22Å; A309-P349 HydrophobicContact CB-CB 4.14Å; A309-P349 HydrophobicContact CB-CG 3.84Å |
| 310 | I | 96.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.5 | 172.9 | -40.4 | 176.3 | 0 | 0 | 0 | 106.5 | N294 I295 Y296 N312 | N294-I310 HydrophobicContact CB-CG2 3.79Å; I295-I310 WeakPolarHBondContact O-CA 3.06Å; Y296-I310 HydrophobicContact CD1-CB 4.4Å; Y296-I310 HydrophobicContact CD1-CD1 4.41Å; Y296-I310 HydrophobicContact CD1-CG1 3.98Å; Y296-I310 HydrophobicContact CD1-CG2 3.82Å; Y296-I310 HydrophobicContact CE1-CB 4.48Å; Y296-I310 HydrophobicContact CE1-CD1 4.01Å; Y296-I310 HydrophobicContact CE1-CG1 4.06Å; Y296-I310 HydrophobicContact CE1-CG2 3.67Å; I310-N312 VanDerWaalsContact CG2-OD1 3.28Å; I310-N312 WeakPolarHBondContact CG2-OD1 3.44Å |
| 311 | F | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.1 | 172 | -54.2 | -89.4 | 0 | 0 | 0 | 108.4 | F287 N294 I295 M297 L332 W344 V346 P349 | F287-F311 AromaticContact CD1-CE2 3.86Å; F287-F311 HydrophobicContact CD1-CE2 3.86Å; F287-F311 AromaticContact CE1-CE2 3.72Å; F287-F311 HydrophobicContact CE1-CE2 3.72Å; F287-F311 HydrophobicContact CE1-CZ 4.07Å; N294-F311 WeakPolarHBondContact CA-O 3.4Å; I295-F311 HydrophobicContact CB-CB 4.26Å; I295-F311 HydrophobicContact CB-CD2 4.39Å; I295-F311 PolarHBondContact N-O 3.1Å; I295-F311 PolarHBondContact O-N 2.84Å; M297-F311 HydrophobicContact CB-CE2 4.11Å; M297-F311 HydrophobicContact SD-CE2 4.31Å; M297-F311 HydrophobicContact SD-CZ 4.35Å; F311-L332 HydrophobicContact CB-CD2 4.48Å; F311-L332 HydrophobicContact CD2-CD2 3.69Å; F311-L332 HydrophobicContact CE2-CD2 3.99Å; F311-L332 HydrophobicContact CG-CD2 3.99Å; F311-W344 HydrophobicContact CB-CD2 4.09Å; F311-W344 HydrophobicContact CB-CG 4.03Å; F311-W344 HydrophobicContact CD1-CB 3.58Å; F311-W344 AromaticContact CD1-CD1 3.98Å; F311-W344 AromaticContact CD1-CG 3.8Å; F311-W344 HydrophobicContact CD1-CG 3.8Å; F311-W344 HydrophobicContact CE1-CB 4.09Å; F311-W344 HydrophobicContact CG-CB 4.41Å; F311-W344 HydrophobicContact CG-CG 4.27Å; F311-V346 HydrophobicContact CZ-CG1 4.5Å; F311-P349 HydrophobicContact CD1-CB 3.7Å; F311-P349 HydrophobicContact CE1-CB 3.56Å; F311-P349 HydrophobicContact CG-CB 4.42Å; F311-P349 HydrophobicContact CZ-CB 4.16Å |
| 312 | N | 94.6 | Very high | 93 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 160.8 | -171.3 | -60 | 45.5 | 0 | 0 | 0 | 110.1 | N294 I310 W344 | N294-N312 VanDerWaalsContact OD1-CG 3.28Å; N294-N312 PolarHBondContact OD1-ND2 2.67Å; I310-N312 VanDerWaalsContact CG2-OD1 3.28Å; I310-N312 WeakPolarHBondContact CG2-OD1 3.44Å; N312-W344 PolarHBondContact O-NE1 2.74Å |
| 313 | G | 91.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 32% | 0.32 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 106.5 | 3.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y342 K412 | G313-Y342 PolarHBondContact O-OH 3.25Å; G313-K412 PolarHBondContact O-NZ 2.82Å |
| 314 | H | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -85.5 | 173.5 | 149.1 | 69.1 | -52.3 | 0 | 0 | 0 | 109.4 | N289 D293 Y342 W344 | N289-H314 PolarHBondContact OD1-NE2 2.81Å; D293-H314 PolarHBondContact O-CE1 3.39Å; D293-H314 VanDerWaalsContact O-CE1 3.29Å; H314-Y342 VanDerWaalsContact CA-CE2 3.46Å; H314-Y342 HydrophobicContact CB-CD2 3.28Å; H314-Y342 HydrophobicContact CB-CE2 3.59Å; H314-Y342 HydrophobicContact CB-CG 4Å; H314-W344 HydrophobicContact CB-CH2 3.89Å; H314-W344 HydrophobicContact CB-CZ2 4.03Å; H314-W344 AromaticContact CG-CH2 3.71Å; H314-W344 AromaticContact CG-CZ2 3.94Å; H314-W344 AromaticContact ND1-CH2 3.62Å; H314-W344 AromaticContact ND1-CZ2 3.5Å |
| 315 | Q | 96.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 42.4 Ų | 42.4 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | trans | -110 | 146.4 | 163.6 | -61.8 | 179.4 | 50.7 | 0 | 0 | 110.8 | D293 S336 S337 D338 | D293-Q315 WeakPolarHBondContact OD1-CA 3.35Å; Q315-S336 WeakPolarHBondContact CA-OG 3.31Å; Q315-S336 PolarHBondContact N-OG 2.92Å; Q315-S336 VanDerWaalsContact O-CA 3.31Å; Q315-S336 WeakPolarHBondContact O-CA 3.44Å; Q315-S336 WeakPolarHBondContact O-CB 3.48Å; Q315-S336 PolarHBondContact O-OG 3.09Å; Q315-S337 PolarHBondContact O-N 2.58Å; Q315-D338 HydrophobicContact CB-CB 4.17Å; Q315-D338 HydrophobicContact CG-CB 4.06Å; Q315-D338 VanDerWaalsContact NE2-CB 3.31Å | ||
| 316 | N | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -142.7 | 79.9 | 179.1 | -172.6 | 20.2 | 0 | 0 | 0 | 111.5 | S275 N289 C290 T291 D293 T318 V321 | S275-N316 PolarHBondContact OG-ND2 2.8Å; N289-N316 VanDerWaalsContact CG-ND2 3.27Å; N289-N316 PolarHBondContact ND2-ND2 3Å; N289-N316 PolarHBondContact OD1-ND2 3.2Å; C290-N316 VanDerWaalsContact C-ND2 3.34Å; C290-N316 PolarHBondContact O-ND2 2.83Å; T291-N316 CarbonylContact C-O 3.54Å; T291-N316 VanDerWaalsContact CA-O 3.24Å; T291-N316 WeakPolarHBondContact CA-O 3.5Å; D293-N316 PolarHBondContact OD1-N 2.93Å; N316-T318 VanDerWaalsContact C-N 3.33Å; N316-T318 PolarHBondContact O-N 2.8Å; N316-T318 PolarHBondContact OD1-O 2.95Å; N316-V321 VanDerWaalsContact OD1-CB 3.32Å; N316-V321 WeakPolarHBondContact OD1-CB 3.31Å; N316-V321 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 317 | S | 88.7 | Confident | 94.7 | Very high | 90 Ų | 90 | 38.1 Ų | 38.1 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | trans | -83.4 | -3.5 | -178.7 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | S337 | S317-S337 PolarHBondContact N-OG 2.66Å; S317-S337 WeakPolarHBondContact OG-CB 3.42Å; S317-S337 PolarHBondContact OG-OG 3.01Å | ||
| 318 | T | 89.6 | Confident | 94.5 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -140.9 | 164.7 | -167.3 | 84.2 | 0 | 0 | 0 | 0 | 114.3 | S275 N316 Y320 E362 | S275-T318 WeakPolarHBondContact CB-O 3.47Å; N316-T318 VanDerWaalsContact C-N 3.33Å; N316-T318 PolarHBondContact O-N 2.8Å; N316-T318 PolarHBondContact OD1-O 2.95Å; T318-Y320 PolarHBondContact O-N 2.85Å; T318-Y320 PolarHBondContact OG1-N 3.26Å; T318-E362 WeakPolarHBondContact CG2-OE2 3.41Å; T318-E362 PolarHBondContact OG1-OE1 3.22Å; T318-E362 PolarHBondContact OG1-OE2 2.91Å |
| 319 | F | 90.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 35 Ų | 35 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -87.5 | 17.6 | 175 | -57.4 | -71.9 | 0 | 0 | 0 | 113.7 | T220 A235 T291 | T220-F319 HydrophobicContact CG2-CB 4.09Å; T220-F319 HydrophobicContact CG2-CD1 3.9Å; T220-F319 HydrophobicContact CG2-CG 4.16Å; A235-F319 HydrophobicContact CB-CD1 4.05Å; A235-F319 HydrophobicContact CB-CD2 4.28Å; A235-F319 HydrophobicContact CB-CE1 3.91Å; A235-F319 HydrophobicContact CB-CE2 4.15Å; A235-F319 HydrophobicContact CB-CG 4.25Å; A235-F319 HydrophobicContact CB-CZ 3.97Å; A235-F319 WeakPolarHBondContact O-CE1 3.08Å; A235-F319 WeakPolarHBondContact O-CZ 3.47Å; T291-F319 HydrophobicContact CG2-CD1 3.74Å; T291-F319 HydrophobicContact CG2-CE1 3.39Å; T291-F319 HydrophobicContact CG2-CZ 3.94Å |
| 320 | Y | 91.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 37 Ų | 37 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | trans | -103.1 | -28.8 | -179.6 | -63.5 | -76.1 | 0 | 0 | 0 | 113 | F102 K144 T318 K322 R553 | F102-Y320 HydrophobicContact CD1-CD1 4.43Å; F102-Y320 AromaticContact CD1-CE1 3.85Å; F102-Y320 HydrophobicContact CD1-CE1 3.85Å; F102-Y320 AromaticContact CE1-CE1 3.73Å; F102-Y320 HydrophobicContact CE1-CE1 3.73Å; K144-Y320 PolarHBondContact NZ-OH 3.07Å; T318-Y320 PolarHBondContact O-N 2.85Å; T318-Y320 PolarHBondContact OG1-N 3.26Å; Y320-K322 WeakPolarHBondContact O-CG 3.48Å; Y320-K322 PolarHBondContact O-N 2.8Å; Y320-R553 HydrophobicContact CE2-CG 4.47Å | ||
| 321 | V | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -66.2 | 104.3 | -172.8 | -175.5 | 0 | 0 | 0 | 0 | 112.2 | S275 N289 N316 G335 E362 T364 | S275-V321 WeakPolarHBondContact CB-O 3.4Å; S275-V321 PolarHBondContact OG-O 3.44Å; N289-V321 PolarHBondContact ND2-O 3.47Å; N289-V321 VanDerWaalsContact ND2-O 3.09Å; N316-V321 VanDerWaalsContact OD1-CB 3.32Å; N316-V321 WeakPolarHBondContact OD1-CB 3.31Å; N316-V321 WeakPolarHBondContact OD1-CG2 3.39Å; V321-G335 WeakPolarHBondContact CG1-O 3.36Å; V321-E362 HydrophobicContact CG2-CG 4.12Å; V321-T364 CarbonylContact C-O 3.51Å; V321-T364 WeakPolarHBondContact CA-O 3.34Å | ||
| 322 | K | 97.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | trans | -84.7 | 161.2 | 175.9 | -57.3 | -175.7 | -174.2 | 172.3 | 0 | 112.5 | F102 D103 Y320 S334 G335 T364 | F102-K322 PolarHBondContact O-NZ 2.97Å; D103-K322 IonicContact OD1-NZ 3.16Å; D103-K322 PolarHBondContact OD1-NZ 3.36Å; Y320-K322 WeakPolarHBondContact O-CG 3.48Å; Y320-K322 PolarHBondContact O-N 2.8Å; K322-S334 PolarHBondContact O-OG 3.39Å; K322-G335 PolarHBondContact O-N 2.74Å; K322-G335 VanDerWaalsContact O-N 3.11Å; K322-T364 PolarHBondContact N-O 3.44Å | ||
| 323 | S | 97.8 | Very high | 94.5 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.2 | 177.4 | -44 | 0 | 0 | 0 | 0 | 110.2 | S276 I278 N289 V333 S334 | S276-S323 PolarHBondContact OG-N 2.79Å; I278-S323 VanDerWaalsContact CD1-C 3.48Å; N289-S323 PolarHBondContact ND2-OG 3.08Å; S323-V333 CarbonylContact C-O 3.57Å; S323-V333 VanDerWaalsContact CA-O 3.23Å; S323-V333 WeakPolarHBondContact CA-O 3.4Å; S323-V333 WeakPolarHBondContact CB-O 3.44Å; S323-S334 WeakPolarHBondContact OG-CB 3.25Å; S323-S334 PolarHBondContact OG-OG 2.84Å |
| 324 | S | 97.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157 | -177.2 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | V333 W368 | S324-V333 PolarHBondContact N-O 2.81Å; S324-V333 WeakPolarHBondContact O-CG1 3.49Å; S324-V333 PolarHBondContact O-N 2.62Å; S324-W368 PolarHBondContact OG-N 3.18Å |
| 325 | L | 97.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 155.4 | 177.1 | -73.6 | 170.3 | 0 | 0 | 0 | 110.6 | I278 D280 F287 L332 V346 W368 | I278-L325 HydrophobicContact CB-CD1 4.35Å; I278-L325 HydrophobicContact CB-CG 4.47Å; I278-L325 HydrophobicContact CD1-CG 4Å; I278-L325 HydrophobicContact CG2-CD1 3.89Å; I278-L325 HydrophobicContact CG2-CG 4.03Å; D280-L325 HydrophobicContact CB-CD1 4.33Å; F287-L325 HydrophobicContact CD2-CD1 3.87Å; F287-L325 HydrophobicContact CD2-CD2 4.02Å; F287-L325 HydrophobicContact CD2-CG 4.36Å; F287-L325 HydrophobicContact CE2-CD1 3.79Å; F287-L325 HydrophobicContact CE2-CD2 3.82Å; F287-L325 HydrophobicContact CE2-CG 4.4Å; F287-L325 HydrophobicContact CG-CD2 4.48Å; F287-L325 HydrophobicContact CZ-CD2 4.08Å; L325-L332 HydrophobicContact CD2-CB 4.14Å; L325-L332 HydrophobicContact CD2-CD1 3.93Å; L325-V346 HydrophobicContact CD2-CG2 4.43Å; L325-W368 WeakPolarHBondContact O-CB 3.5Å |
| 326 | S | 96 | Very high | 95 | Very high | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | trans | -67.5 | 156.1 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | D328 D329 Q330 F331 | S326-D328 PolarHBondContact O-N 3.38Å; S326-D328 PolarHBondContact OG-OD1 3.38Å; S326-D329 PolarHBondContact O-N 3.11Å; S326-Q330 PolarHBondContact OG-N 3.41Å; S326-F331 PolarHBondContact N-O 3.11Å; S326-F331 PolarHBondContact OG-N 2.88Å; S326-F331 VanDerWaalsContact OG-N 3.11Å | ||
| 327 | P | 92.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 24.2 Ų | 24.2 | 24% | 0.24 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 1.7 | 173.4 | -33.5 | 39.8 | 0 | 0 | 0 | 118 | L2 C369 P370 | L2-P327 HydrophobicContact CD1-CB 3.56Å; P327-C369 WeakPolarHBondContact CG-O 3.39Å; P327-P370 VanDerWaalsContact CB-O 3.31Å; P327-P370 WeakPolarHBondContact CB-O 3.32Å; P327-P370 WeakPolarHBondContact CG-O 3.23Å |
| 328 | D | 91 | Very high | 95.5 | Very high | 25 Ų | 25 | 21.8 Ų | 21.8 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142 | 18.8 | -179.6 | 68.8 | -15.1 | 0 | 0 | 0 | 113.2 | F3 S326 Q330 | F3-D328 VanDerWaalsContact CB-OD2 3.22Å; F3-D328 WeakPolarHBondContact CB-OD2 3.49Å; S326-D328 PolarHBondContact O-N 3.38Å; S326-D328 PolarHBondContact OG-OD1 3.38Å; D328-Q330 PolarHBondContact O-N 2.84Å; D328-Q330 PolarHBondContact OD2-NE2 3.45Å |
| 329 | D | 95.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 55.5 | 7.9 | 178.1 | -57.6 | -56.3 | 0 | 0 | 0 | 115.9 | D280 S281 S326 V346 | D280-D329 WeakPolarHBondContact CA-OD1 3.43Å; D280-D329 HydrophobicContact CB-CB 4.5Å; S281-D329 WeakPolarHBondContact CB-OD2 3.38Å; S281-D329 PolarHBondContact N-OD1 2.86Å; S281-D329 VanDerWaalsContact N-OD1 3.12Å; S281-D329 PolarHBondContact N-OD2 2.82Å; S281-D329 PolarHBondContact OG-OD2 3.17Å; S326-D329 PolarHBondContact O-N 3.11Å; D329-V346 WeakPolarHBondContact O-CG2 3.46Å |
| 330 | Q | 93.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 22.2 Ų | 22.2 | 26% | 0.257 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -76.8 | -25.7 | -178.3 | -68.1 | -166.8 | 60.9 | 0 | 0 | 113.5 | S326 D328 V346 | S326-Q330 PolarHBondContact OG-N 3.41Å; D328-Q330 PolarHBondContact O-N 2.84Å; D328-Q330 PolarHBondContact OD2-NE2 3.45Å; Q330-V346 PolarHBondContact O-N 3.04Å |
| 331 | F | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.3 | -176.1 | -58.2 | -87.3 | 0 | 0 | 0 | 111.5 | F3 L25 L29 S326 I343 W344 K345 W368 F373 | F3-F331 HydrophobicContact CD2-CD2 4.48Å; F3-F331 AromaticContact CD2-CE2 3.75Å; F3-F331 HydrophobicContact CD2-CE2 3.75Å; F3-F331 AromaticContact CE2-CE2 3.67Å; F3-F331 HydrophobicContact CE2-CE2 3.67Å; F3-F331 HydrophobicContact CE2-CZ 4.05Å; F3-F331 HydrophobicContact CZ-CE2 4.41Å; F3-F331 HydrophobicContact CZ-CZ 4.46Å; L25-F331 HydrophobicContact CB-CZ 4.25Å; L29-F331 HydrophobicContact CD1-CD1 3.87Å; L29-F331 HydrophobicContact CD1-CE1 3.74Å; L29-F331 HydrophobicContact CD2-CD1 4.37Å; L29-F331 HydrophobicContact CD2-CE1 4.28Å; L29-F331 HydrophobicContact CG-CE1 4.32Å; S326-F331 PolarHBondContact N-O 3.11Å; S326-F331 PolarHBondContact OG-N 2.88Å; S326-F331 VanDerWaalsContact OG-N 3.11Å; F331-I343 HydrophobicContact CB-CG2 4.06Å; F331-I343 HydrophobicContact CD1-CG2 4.28Å; F331-W344 VanDerWaalsContact CA-O 3.32Å; F331-W344 WeakPolarHBondContact CA-O 3.21Å; F331-K345 HydrophobicContact CD1-CB 3.97Å; F331-K345 HydrophobicContact CD1-CG 4.07Å; F331-K345 HydrophobicContact CE1-CB 3.87Å; F331-K345 HydrophobicContact CE1-CD 4.23Å; F331-K345 HydrophobicContact CE1-CG 3.73Å; F331-K345 HydrophobicContact CZ-CG 4.33Å; F331-W368 HydrophobicContact CB-CH2 3.63Å; F331-W368 HydrophobicContact CB-CZ3 3.75Å; F331-W368 HydrophobicContact CG-CH2 4.36Å; F331-F373 AromaticContact CD2-CE2 3.71Å; F331-F373 HydrophobicContact CD2-CE2 3.71Å; F331-F373 AromaticContact CD2-CZ 3.9Å; F331-F373 HydrophobicContact CD2-CZ 3.9Å; F331-F373 HydrophobicContact CE2-CE2 4.19Å; F331-F373 HydrophobicContact CE2-CZ 4.1Å |
| 332 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.5 | 175.7 | 171 | 69.7 | 0 | 0 | 0 | 107.5 | I278 F287 I295 F311 L325 I343 W344 V346 | I278-L332 HydrophobicContact CD1-CD1 3.48Å; I278-L332 VanDerWaalsContact CD1-CD1 3.48Å; F287-L332 HydrophobicContact CB-CD1 4.38Å; F287-L332 HydrophobicContact CD1-CD1 4.3Å; F287-L332 HydrophobicContact CD1-CD2 4Å; F287-L332 HydrophobicContact CG-CD1 4.36Å; I295-L332 HydrophobicContact CB-CD2 4.35Å; I295-L332 HydrophobicContact CD1-CD2 3.86Å; I295-L332 HydrophobicContact CD1-CG 4.42Å; I295-L332 HydrophobicContact CG2-CD2 4.03Å; F311-L332 HydrophobicContact CB-CD2 4.48Å; F311-L332 HydrophobicContact CD2-CD2 3.69Å; F311-L332 HydrophobicContact CE2-CD2 3.99Å; F311-L332 HydrophobicContact CG-CD2 3.99Å; L325-L332 HydrophobicContact CD2-CB 4.14Å; L325-L332 HydrophobicContact CD2-CD1 3.93Å; L332-I343 CarbonylContact O-C 3.58Å; L332-I343 VanDerWaalsContact O-CA 3.28Å; L332-I343 WeakPolarHBondContact O-CA 3.25Å; L332-W344 HydrophobicContact CD2-CE3 4.19Å; L332-W344 HydrophobicContact CG-CE3 4.19Å; L332-W344 PolarHBondContact N-O 3.31Å; L332-W344 PolarHBondContact O-N 3.06Å; L332-V346 HydrophobicContact CB-CG2 4.14Å |
| 333 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.1 | 170.6 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | S323 S324 Y342 I343 V366 W368 | S323-V333 CarbonylContact C-O 3.57Å; S323-V333 VanDerWaalsContact CA-O 3.23Å; S323-V333 WeakPolarHBondContact CA-O 3.4Å; S323-V333 WeakPolarHBondContact CB-O 3.44Å; S324-V333 PolarHBondContact N-O 2.81Å; S324-V333 WeakPolarHBondContact O-CG1 3.49Å; S324-V333 PolarHBondContact O-N 2.62Å; V333-Y342 CarbonylContact C-O 3.52Å; V333-Y342 WeakPolarHBondContact CA-O 3.43Å; V333-I343 HydrophobicContact CB-CG1 4.21Å; V333-I343 HydrophobicContact CG2-CG1 3.93Å; V333-V366 HydrophobicContact CG1-CG2 4.02Å; V333-V366 HydrophobicContact CG2-CG2 4.3Å; V333-W368 HydrophobicContact CB-CE3 4.12Å; V333-W368 HydrophobicContact CB-CZ3 3.97Å; V333-W368 HydrophobicContact CG1-CE3 3.66Å; V333-W368 HydrophobicContact CG1-CZ3 4.05Å |
| 334 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 149.5 | 171.9 | -169.4 | 0 | 0 | 0 | 0 | 111 | N289 K322 S323 A341 Y342 | N289-S334 PolarHBondContact ND2-OG 2.9Å; K322-S334 PolarHBondContact O-OG 3.39Å; S323-S334 WeakPolarHBondContact OG-CB 3.25Å; S323-S334 PolarHBondContact OG-OG 2.84Å; S334-A341 CarbonylContact O-C 3.44Å; S334-A341 VanDerWaalsContact O-CA 3.25Å; S334-A341 WeakPolarHBondContact O-CA 3.19Å; S334-A341 WeakPolarHBondContact O-CB 3.31Å; S334-Y342 PolarHBondContact N-O 2.9Å; S334-Y342 PolarHBondContact O-N 2.9Å |
| 335 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -179.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V321 K322 V363 V366 | V321-G335 WeakPolarHBondContact CG1-O 3.36Å; K322-G335 PolarHBondContact O-N 2.74Å; K322-G335 VanDerWaalsContact O-N 3.11Å; G335-V363 WeakPolarHBondContact CA-O 3Å; G335-V366 VanDerWaalsContact N-CG1 3.3Å |
| 336 | S | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -155.5 | 154 | 176.7 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | Q315 D338 A340 E362 V363 | Q315-S336 WeakPolarHBondContact CA-OG 3.31Å; Q315-S336 PolarHBondContact N-OG 2.92Å; Q315-S336 VanDerWaalsContact O-CA 3.31Å; Q315-S336 WeakPolarHBondContact O-CA 3.44Å; Q315-S336 WeakPolarHBondContact O-CB 3.48Å; Q315-S336 PolarHBondContact O-OG 3.09Å; S336-D338 WeakPolarHBondContact CB-OD1 3.49Å; S336-D338 PolarHBondContact O-N 2.95Å; S336-D338 PolarHBondContact OG-N 2.68Å; S336-D338 PolarHBondContact OG-OD1 2.81Å; S336-A340 WeakPolarHBondContact CB-O 3.45Å; S336-A340 PolarHBondContact N-O 3.1Å; S336-A340 VanDerWaalsContact N-O 3.11Å; S336-E362 WeakPolarHBondContact O-CA 3.31Å; S336-V363 PolarHBondContact N-O 3Å; S336-V363 PolarHBondContact O-N 2.86Å | ||
| 337 | S | 97.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 22.9 Ų | 22.9 | 18% | 0.175 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13 | 166.8 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | Q315 S317 E339 E362 | Q315-S337 PolarHBondContact O-N 2.58Å; S317-S337 PolarHBondContact N-OG 2.66Å; S317-S337 WeakPolarHBondContact OG-CB 3.42Å; S317-S337 PolarHBondContact OG-OG 3.01Å; S337-E339 VanDerWaalsContact C-N 3.3Å; S337-E339 PolarHBondContact O-N 3.06Å; S337-E362 WeakPolarHBondContact CB-OE2 3.49Å; S337-E362 PolarHBondContact OG-OE2 2.83Å |
| 338 | D | 96.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 22.1 Ų | 22.1 | 21% | 0.209 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 29.1 | -176.6 | 76.5 | 0.4 | 0 | 0 | 0 | 114.8 | Q315 S336 A340 Y342 | Q315-D338 HydrophobicContact CB-CB 4.17Å; Q315-D338 HydrophobicContact CG-CB 4.06Å; Q315-D338 VanDerWaalsContact NE2-CB 3.31Å; S336-D338 WeakPolarHBondContact CB-OD1 3.49Å; S336-D338 PolarHBondContact O-N 2.95Å; S336-D338 PolarHBondContact OG-N 2.68Å; S336-D338 PolarHBondContact OG-OD1 2.81Å; D338-A340 PolarHBondContact O-N 3.16Å; D338-A340 VanDerWaalsContact O-N 3.08Å; D338-A340 WeakPolarHBondContact OD1-CB 3.48Å; D338-A340 PolarHBondContact OD1-N 2.9Å; D338-Y342 VanDerWaalsContact OD1-CE2 3.25Å; D338-Y342 WeakPolarHBondContact OD1-CE2 3.32Å; D338-Y342 WeakPolarHBondContact OD2-CE2 3.37Å; D338-Y342 PolarHBondContact OD2-OH 2.95Å |
| 339 | E | 96.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 22.2 Ų | 22.2 | 49% | 0.486 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 67.2 | -2 | 179.7 | -48.8 | 173.1 | -154.2 | 0 | 0 | 115 | S337 H359 | S337-E339 VanDerWaalsContact C-N 3.3Å; S337-E339 PolarHBondContact O-N 3.06Å; E339-H359 WeakPolarHBondContact O-CB 3.47Å |
| 340 | A | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | trans | -109.3 | 168.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S336 D338 Y342 V355 L356 L357 V363 | S336-A340 WeakPolarHBondContact CB-O 3.45Å; S336-A340 PolarHBondContact N-O 3.1Å; S336-A340 VanDerWaalsContact N-O 3.11Å; D338-A340 PolarHBondContact O-N 3.16Å; D338-A340 VanDerWaalsContact O-N 3.08Å; D338-A340 WeakPolarHBondContact OD1-CB 3.48Å; D338-A340 PolarHBondContact OD1-N 2.9Å; A340-Y342 HydrophobicContact CB-CE2 3.96Å; A340-V355 HydrophobicContact CB-CG1 3.6Å; A340-L356 WeakPolarHBondContact CA-O 3.44Å; A340-L357 HydrophobicContact CB-CD2 4.14Å; A340-V363 WeakPolarHBondContact O-CG2 3.47Å | ||
| 341 | A | 98 | Very high | 96 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S334 V355 L356 V363 V366 T378 | S334-A341 CarbonylContact O-C 3.44Å; S334-A341 VanDerWaalsContact O-CA 3.25Å; S334-A341 WeakPolarHBondContact O-CA 3.19Å; S334-A341 WeakPolarHBondContact O-CB 3.31Å; A341-V355 CarbonylContact O-C 3.59Å; A341-L356 HydrophobicContact CB-CB 4.16Å; A341-L356 HydrophobicContact CB-CD1 4.21Å; A341-L356 PolarHBondContact N-O 3.14Å; A341-L356 VanDerWaalsContact N-O 3.14Å; A341-L356 PolarHBondContact O-N 2.91Å; A341-V363 HydrophobicContact CB-CG1 4.34Å; A341-V366 HydrophobicContact CB-CG1 4.33Å; A341-T378 HydrophobicContact CB-CG2 4.13Å |
| 342 | Y | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.9 | -171.9 | -71 | -84.7 | 0 | 0 | 0 | 111.9 | G313 H314 V333 S334 D338 A340 W344 P353 T354 V355 K412 | G313-Y342 PolarHBondContact O-OH 3.25Å; H314-Y342 VanDerWaalsContact CA-CE2 3.46Å; H314-Y342 HydrophobicContact CB-CD2 3.28Å; H314-Y342 HydrophobicContact CB-CE2 3.59Å; H314-Y342 HydrophobicContact CB-CG 4Å; V333-Y342 CarbonylContact C-O 3.52Å; V333-Y342 WeakPolarHBondContact CA-O 3.43Å; S334-Y342 PolarHBondContact N-O 2.9Å; S334-Y342 PolarHBondContact O-N 2.9Å; D338-Y342 VanDerWaalsContact OD1-CE2 3.25Å; D338-Y342 WeakPolarHBondContact OD1-CE2 3.32Å; D338-Y342 WeakPolarHBondContact OD2-CE2 3.37Å; D338-Y342 PolarHBondContact OD2-OH 2.95Å; A340-Y342 HydrophobicContact CB-CE2 3.96Å; Y342-W344 VanDerWaalsContact CB-CH2 3.44Å; Y342-W344 HydrophobicContact CG-CH2 4.32Å; Y342-W344 HydrophobicContact CG-CZ2 4.41Å; Y342-W344 WeakPolarHBondContact O-CZ3 3.45Å; Y342-P353 HydrophobicContact CD1-CB 3.96Å; Y342-P353 HydrophobicContact CD1-CG 3.66Å; Y342-P353 HydrophobicContact CE1-CG 4.28Å; Y342-T354 CarbonylContact C-O 3.59Å; Y342-T354 WeakPolarHBondContact CA-O 3.23Å; Y342-V355 HydrophobicContact CD1-CB 4.27Å; Y342-V355 HydrophobicContact CD1-CG1 4.06Å; Y342-V355 HydrophobicContact CD1-CG2 3.88Å; Y342-V355 HydrophobicContact CE1-CB 4.07Å; Y342-V355 HydrophobicContact CE1-CG1 3.61Å; Y342-V355 HydrophobicContact CE1-CG2 3.54Å; Y342-K412 HydrophobicContact CE1-CD 3.98Å; Y342-K412 PolarHBondContact OH-NZ 3.3Å |
| 343 | I | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.6 | 175.8 | -49.5 | 175.2 | 0 | 0 | 0 | 109.9 | L29 Y32 F331 L332 V333 P353 T354 L356 W368 I376 | L29-I343 HydrophobicContact CD1-CB 4.39Å; L29-I343 HydrophobicContact CD1-CG2 3.88Å; L29-I343 HydrophobicContact CD2-CG2 4.39Å; Y32-I343 HydrophobicContact CD2-CD1 3.96Å; Y32-I343 HydrophobicContact CE2-CD1 3.98Å; F331-I343 HydrophobicContact CB-CG2 4.06Å; F331-I343 HydrophobicContact CD1-CG2 4.28Å; L332-I343 CarbonylContact O-C 3.58Å; L332-I343 VanDerWaalsContact O-CA 3.28Å; L332-I343 WeakPolarHBondContact O-CA 3.25Å; V333-I343 HydrophobicContact CB-CG1 4.21Å; V333-I343 HydrophobicContact CG2-CG1 3.93Å; I343-P353 CarbonylContact O-C 3.44Å; I343-P353 VanDerWaalsContact O-CA 3.27Å; I343-P353 WeakPolarHBondContact O-CA 3.29Å; I343-P353 WeakPolarHBondContact O-CB 3.43Å; I343-T354 PolarHBondContact N-O 3.07Å; I343-T354 PolarHBondContact O-N 2.77Å; I343-L356 HydrophobicContact CD1-CD1 4.25Å; I343-L356 HydrophobicContact CD1-CD2 4.13Å; I343-L356 HydrophobicContact CD1-CG 4.31Å; I343-L356 HydrophobicContact CG1-CD1 4.48Å; I343-L356 HydrophobicContact CG1-CG 4.49Å; I343-W368 HydrophobicContact CD1-CH2 4.39Å; I343-W368 HydrophobicContact CG2-CH2 3.88Å; I343-W368 HydrophobicContact CG2-CZ3 4.18Å; I343-I376 HydrophobicContact CD1-CD1 3.72Å |
| 344 | W | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 152.6 | 171.9 | -56.2 | -102.4 | 0 | 0 | 0 | 110.8 | I295 F311 N312 H314 F331 L332 Y342 P353 | I295-W344 HydrophobicContact CD1-CE3 4.42Å; I295-W344 HydrophobicContact CD1-CH2 3.78Å; I295-W344 HydrophobicContact CD1-CZ3 3.69Å; F311-W344 HydrophobicContact CB-CD2 4.09Å; F311-W344 HydrophobicContact CB-CG 4.03Å; F311-W344 HydrophobicContact CD1-CB 3.58Å; F311-W344 AromaticContact CD1-CD1 3.98Å; F311-W344 AromaticContact CD1-CG 3.8Å; F311-W344 HydrophobicContact CD1-CG 3.8Å; F311-W344 HydrophobicContact CE1-CB 4.09Å; F311-W344 HydrophobicContact CG-CB 4.41Å; F311-W344 HydrophobicContact CG-CG 4.27Å; N312-W344 PolarHBondContact O-NE1 2.74Å; H314-W344 HydrophobicContact CB-CH2 3.89Å; H314-W344 HydrophobicContact CB-CZ2 4.03Å; H314-W344 AromaticContact CG-CH2 3.71Å; H314-W344 AromaticContact CG-CZ2 3.94Å; H314-W344 AromaticContact ND1-CH2 3.62Å; H314-W344 AromaticContact ND1-CZ2 3.5Å; F331-W344 VanDerWaalsContact CA-O 3.32Å; F331-W344 WeakPolarHBondContact CA-O 3.21Å; L332-W344 HydrophobicContact CD2-CE3 4.19Å; L332-W344 HydrophobicContact CG-CE3 4.19Å; L332-W344 PolarHBondContact N-O 3.31Å; L332-W344 PolarHBondContact O-N 3.06Å; Y342-W344 VanDerWaalsContact CB-CH2 3.44Å; Y342-W344 HydrophobicContact CG-CH2 4.32Å; Y342-W344 HydrophobicContact CG-CZ2 4.41Å; Y342-W344 WeakPolarHBondContact O-CZ3 3.45Å; W344-P353 HydrophobicContact CD2-CB 4.11Å; W344-P353 HydrophobicContact CG-CB 4.02Å |
| 345 | K | 94.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 34 Ų | 34 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.5 | 169.3 | -168.7 | -174.7 | -175.5 | -138.5 | 0 | 110.1 | F331 S347 T348 | F331-K345 HydrophobicContact CD1-CB 3.97Å; F331-K345 HydrophobicContact CD1-CG 4.07Å; F331-K345 HydrophobicContact CE1-CB 3.87Å; F331-K345 HydrophobicContact CE1-CD 4.23Å; F331-K345 HydrophobicContact CE1-CG 3.73Å; F331-K345 HydrophobicContact CZ-CG 4.33Å; K345-S347 VanDerWaalsContact C-N 3.27Å; K345-S347 WeakPolarHBondContact CD-OG 3.42Å; K345-S347 VanDerWaalsContact CE-OG 3.24Å; K345-S347 WeakPolarHBondContact CE-OG 3.45Å; K345-S347 PolarHBondContact NZ-OG 3.32Å; K345-S347 PolarHBondContact O-N 2.84Å; K345-T348 CarbonylContact O-C 3.42Å; K345-T348 PolarHBondContact O-N 3.22Å |
| 346 | V | 95.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -36.5 | -171.5 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | F287 M297 F311 L325 D329 Q330 L332 T348 | F287-V346 HydrophobicContact CE1-CG1 4.06Å; F287-V346 HydrophobicContact CE1-CG2 4.08Å; F287-V346 HydrophobicContact CZ-CG1 3.8Å; F287-V346 HydrophobicContact CZ-CG2 4.06Å; M297-V346 HydrophobicContact SD-CG1 4.1Å; F311-V346 HydrophobicContact CZ-CG1 4.5Å; L325-V346 HydrophobicContact CD2-CG2 4.43Å; D329-V346 WeakPolarHBondContact O-CG2 3.46Å; Q330-V346 PolarHBondContact O-N 3.04Å; L332-V346 HydrophobicContact CB-CG2 4.14Å; V346-T348 PolarHBondContact O-N 2.89Å |
| 347 | S | 94.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 37 Ų | 37 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.5 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | K345 | K345-S347 VanDerWaalsContact C-N 3.27Å; K345-S347 WeakPolarHBondContact CD-OG 3.42Å; K345-S347 VanDerWaalsContact CE-OG 3.24Å; K345-S347 WeakPolarHBondContact CE-OG 3.45Å; K345-S347 PolarHBondContact NZ-OG 3.32Å; K345-S347 PolarHBondContact O-N 2.84Å |
| 348 | T | 93.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 37 Ų | 37 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | trans | -144.7 | 63 | -167.6 | 48.6 | 0 | 0 | 0 | 0 | 111 | K345 V346 W350 Q351 | K345-T348 CarbonylContact O-C 3.42Å; K345-T348 PolarHBondContact O-N 3.22Å; V346-T348 PolarHBondContact O-N 2.89Å; T348-W350 HydrophobicContact CG2-CH2 4.02Å; T348-W350 HydrophobicContact CG2-CZ2 3.7Å; T348-W350 PolarHBondContact O-N 2.83Å; T348-W350 VanDerWaalsContact O-N 3.08Å; T348-Q351 WeakPolarHBondContact O-CB 3.41Å; T348-Q351 PolarHBondContact O-N 3.29Å | ||
| 349 | P | 92.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.6 | -173.8 | 23.2 | -36.4 | 0 | 0 | 0 | 115 | A309 F311 Q351 | A309-P349 HydrophobicContact CB-CB 4.14Å; A309-P349 HydrophobicContact CB-CG 3.84Å; F311-P349 HydrophobicContact CD1-CB 3.7Å; F311-P349 HydrophobicContact CE1-CB 3.56Å; F311-P349 HydrophobicContact CG-CB 4.42Å; F311-P349 HydrophobicContact CZ-CB 4.16Å; P349-Q351 VanDerWaalsContact C-N 3.3Å; P349-Q351 PolarHBondContact O-N 2.97Å |
| 350 | W | 90.1 | Very high | 95.4 | Very high | 192 Ų | 192 | 34.5 Ų | 34.5 | 73% | 0.727 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.8 | 178.4 | 62.3 | 83.5 | 0 | 0 | 0 | 114.4 | T348 | T348-W350 HydrophobicContact CG2-CH2 4.02Å; T348-W350 HydrophobicContact CG2-CZ2 3.7Å; T348-W350 PolarHBondContact O-N 2.83Å; T348-W350 VanDerWaalsContact O-N 3.08Å |
| 351 | Q | 90.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -82.2 | 146 | 172.5 | -68.6 | -174.7 | 3.4 | 0 | 0 | 110.1 | T348 P349 | T348-Q351 WeakPolarHBondContact O-CB 3.41Å; T348-Q351 PolarHBondContact O-N 3.29Å; P349-Q351 VanDerWaalsContact C-N 3.3Å; P349-Q351 PolarHBondContact O-N 2.97Å |
| 352 | P | 91.6 | Very high | 95.4 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 143.1 | 176.5 | 26 | -33.7 | 0 | 0 | 0 | 111.1 | Q26 K412 | Q26-P352 PolarHBondContact NE2-O 2.87Å; P352-K412 HydrophobicContact CB-CB 4.26Å; P352-K412 WeakPolarHBondContact CB-O 3.48Å |
| 353 | P | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -68.8 | 158.1 | 174.5 | 27.8 | -33.7 | 0 | 0 | 0 | 112.1 | Y342 I343 W344 K412 | Y342-P353 HydrophobicContact CD1-CB 3.96Å; Y342-P353 HydrophobicContact CD1-CG 3.66Å; Y342-P353 HydrophobicContact CE1-CG 4.28Å; I343-P353 CarbonylContact O-C 3.44Å; I343-P353 VanDerWaalsContact O-CA 3.27Å; I343-P353 WeakPolarHBondContact O-CA 3.29Å; I343-P353 WeakPolarHBondContact O-CB 3.43Å; W344-P353 HydrophobicContact CD2-CB 4.11Å; W344-P353 HydrophobicContact CG-CB 4.02Å; P353-K412 HydrophobicContact CG-CB 4.3Å; P353-K412 HydrophobicContact CG-CD 4.26Å; P353-K412 WeakPolarHBondContact O-CB 3.3Å; P353-K412 PolarHBondContact O-N 3.01Å |
| 354 | T | 95.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.9 | 157.6 | -45.8 | 0 | 0 | 0 | 0 | 108 | Q26 L29 T30 Y342 I343 A409 S410 Q411 | Q26-T354 PolarHBondContact NE2-OG1 2.55Å; L29-T354 HydrophobicContact CB-CG2 3.87Å; L29-T354 VanDerWaalsContact CB-OG1 3.31Å; L29-T354 WeakPolarHBondContact CB-OG1 3.48Å; L29-T354 VanDerWaalsContact CD1-OG1 3.31Å; L29-T354 WeakPolarHBondContact CD1-OG1 3.4Å; T30-T354 HydrophobicContact CG2-CG2 4.29Å; Y342-T354 CarbonylContact C-O 3.59Å; Y342-T354 WeakPolarHBondContact CA-O 3.23Å; I343-T354 PolarHBondContact N-O 3.07Å; I343-T354 PolarHBondContact O-N 2.77Å; T354-A409 HydrophobicContact CG2-CB 4.02Å; T354-S410 CarbonylContact C-O 3.5Å; T354-S410 WeakPolarHBondContact CA-O 3.45Å; T354-S410 WeakPolarHBondContact CG2-O 3.49Å; T354-Q411 PolarHBondContact OG1-NE2 3.03Å |
| 355 | V | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.7 | 178.9 | -161.9 | 0 | 0 | 0 | 0 | 108.5 | A340 A341 Y342 L357 A409 S410 K412 | A340-V355 HydrophobicContact CB-CG1 3.6Å; A341-V355 CarbonylContact O-C 3.59Å; Y342-V355 HydrophobicContact CD1-CB 4.27Å; Y342-V355 HydrophobicContact CD1-CG1 4.06Å; Y342-V355 HydrophobicContact CD1-CG2 3.88Å; Y342-V355 HydrophobicContact CE1-CB 4.07Å; Y342-V355 HydrophobicContact CE1-CG1 3.61Å; Y342-V355 HydrophobicContact CE1-CG2 3.54Å; V355-L357 HydrophobicContact CB-CG 4.42Å; V355-L357 HydrophobicContact CG1-CD2 3.67Å; V355-L357 HydrophobicContact CG1-CG 3.97Å; V355-A409 CarbonylContact O-C 3.56Å; V355-A409 VanDerWaalsContact O-CA 3.25Å; V355-A409 WeakPolarHBondContact O-CA 3.24Å; V355-S410 PolarHBondContact N-O 2.91Å; V355-S410 PolarHBondContact O-N 3.33Å; V355-K412 HydrophobicContact CG2-CB 3.72Å; V355-K412 HydrophobicContact CG2-CD 4.4Å; V355-K412 HydrophobicContact CG2-CG 4.25Å |
| 356 | L | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 112.8 | 169.1 | -55.9 | -176.2 | 0 | 0 | 0 | 107.5 | Y32 A340 A341 I343 W388 A409 | Y32-L356 HydrophobicContact CG-CD2 4.41Å; A340-L356 WeakPolarHBondContact CA-O 3.44Å; A341-L356 HydrophobicContact CB-CB 4.16Å; A341-L356 HydrophobicContact CB-CD1 4.21Å; A341-L356 PolarHBondContact N-O 3.14Å; A341-L356 VanDerWaalsContact N-O 3.14Å; A341-L356 PolarHBondContact O-N 2.91Å; I343-L356 HydrophobicContact CD1-CD1 4.25Å; I343-L356 HydrophobicContact CD1-CD2 4.13Å; I343-L356 HydrophobicContact CD1-CG 4.31Å; I343-L356 HydrophobicContact CG1-CD1 4.48Å; I343-L356 HydrophobicContact CG1-CG 4.49Å; L356-W388 HydrophobicContact CB-CD2 4.37Å; L356-W388 HydrophobicContact CB-CE3 4.13Å; L356-W388 HydrophobicContact CB-CH2 3.71Å; L356-W388 HydrophobicContact CB-CZ2 3.95Å; L356-W388 HydrophobicContact CB-CZ3 3.78Å; L356-W388 HydrophobicContact CD1-CD2 4.03Å; L356-W388 HydrophobicContact CD1-CE3 4.38Å; L356-W388 HydrophobicContact CD1-CG 4.25Å; L356-W388 HydrophobicContact CD2-CE3 4.05Å; L356-W388 HydrophobicContact CD2-CZ3 4.32Å; L356-W388 HydrophobicContact CG-CE3 4.42Å; L356-A409 HydrophobicContact CD2-CB 3.73Å |
| 357 | L | 97 | Very high | 95.6 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 32% | 0.319 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | -175.2 | -64.6 | 170.5 | 0 | 0 | 0 | 109.8 | A340 V355 W388 G407 W408 | A340-L357 HydrophobicContact CB-CD2 4.14Å; V355-L357 HydrophobicContact CB-CG 4.42Å; V355-L357 HydrophobicContact CG1-CD2 3.67Å; V355-L357 HydrophobicContact CG1-CG 3.97Å; L357-W388 WeakPolarHBondContact O-CH2 3.06Å; L357-G407 CarbonylContact O-C 3.59Å; L357-G407 WeakPolarHBondContact O-CA 3.45Å; L357-W408 HydrophobicContact CB-CD2 4.45Å; L357-W408 HydrophobicContact CB-CZ2 4.1Å; L357-W408 HydrophobicContact CD1-CZ2 4.21Å; L357-W408 PolarHBondContact N-O 3.03Å; L357-W408 PolarHBondContact O-N 2.89Å |
| 358 | G | 95.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | trans | 147.3 | -9.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | K386 V406 | G358-K386 WeakPolarHBondContact O-CE 3.35Å; G358-K386 PolarHBondContact O-NZ 2.72Å; G358-V406 WeakPolarHBondContact CA-O 3.22Å | ||
| 359 | H | 97.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 7% | 0.069 | 17% | 0.17 | C | C | . | . | trans | -81 | 165 | 161.9 | -78.6 | -65.5 | 0 | 0 | 0 | 110.4 | E339 V363 T378 S380 D382 T384 K386 | E339-H359 WeakPolarHBondContact O-CB 3.47Å; H359-V363 HydrophobicContact CB-CG2 3.99Å; H359-T378 PolarHBondContact CD2-OG1 2.76Å; H359-T378 PolarHBondContact NE2-OG1 2.88Å; H359-S380 WeakPolarHBondContact ND1-CB 3.28Å; H359-D382 VanDerWaalsContact CA-OD2 3.23Å; H359-D382 WeakPolarHBondContact CA-OD2 3.31Å; H359-D382 VanDerWaalsContact CB-OD2 3.3Å; H359-D382 WeakPolarHBondContact CB-OD2 3.17Å; H359-D382 IonicContact CE1-OD1 3.35Å; H359-D382 IonicContact CE1-OD2 3.89Å; H359-D382 IonicContact CG-OD2 3.2Å; H359-D382 IonicContact ND1-OD1 2.67Å; H359-D382 PolarHBondContact ND1-OD1 2.92Å; H359-D382 IonicContact ND1-OD2 2.81Å; H359-D382 PolarHBondContact ND1-OD2 3.33Å; H359-T384 PolarHBondContact CE1-OG1 3.26Å; H359-T384 PolarHBondContact ND1-OG1 2.92Å; H359-T384 VanDerWaalsContact ND1-OG1 3.16Å; H359-K386 WeakPolarHBondContact ND1-CE 3.41Å | ||
| 360 | S | 97.3 | Very high | 95.7 | Very high | 75 Ų | 75 | 33.8 Ų | 33.8 | 52% | 0.524 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -126 | 8 | -179.7 | 63 | 0 | 0 | 0 | 0 | 114.9 | D382 | S360-D382 PolarHBondContact N-OD2 2.88Å; S360-D382 WeakPolarHBondContact OG-CB 3.48Å |
| 361 | Q | 97.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 26.5 Ų | 26.5 | 41% | 0.407 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -149 | 175.4 | 170.4 | -61.1 | -173.4 | 53.3 | 0 | 0 | 109.5 | V363 S380 D381 D382 | Q361-V363 PolarHBondContact O-N 2.83Å; Q361-S380 VanDerWaalsContact C-OG 3.23Å; Q361-S380 PolarHBondContact O-OG 2.8Å; Q361-D381 HydrophobicContact CB-CB 3.95Å; Q361-D381 PolarHBondContact NE2-O 3.12Å; Q361-D382 HydrophobicContact CB-CB 4.16Å; Q361-D382 HydrophobicContact CG-CB 4.14Å |
| 362 | E | 97.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | trans | -43.4 | 124.5 | 178.9 | 172.5 | 168.2 | 97.7 | 0 | 0 | 113.2 | T318 V321 S336 S337 T364 S380 D381 R553 | T318-E362 WeakPolarHBondContact CG2-OE2 3.41Å; T318-E362 PolarHBondContact OG1-OE1 3.22Å; T318-E362 PolarHBondContact OG1-OE2 2.91Å; V321-E362 HydrophobicContact CG2-CG 4.12Å; S336-E362 WeakPolarHBondContact O-CA 3.31Å; S337-E362 WeakPolarHBondContact CB-OE2 3.49Å; S337-E362 PolarHBondContact OG-OE2 2.83Å; E362-T364 HydrophobicContact CG-CG2 4.14Å; E362-T364 PolarHBondContact O-N 2.52Å; E362-S380 WeakPolarHBondContact O-CA 3.32Å; E362-S380 WeakPolarHBondContact O-CB 3.38Å; E362-S380 PolarHBondContact O-OG 3.2Å; E362-S380 VanDerWaalsContact O-OG 3.11Å; E362-D381 PolarHBondContact O-N 2.73Å; E362-R553 IonicContact OE1-CZ 3.19Å; E362-R553 VanDerWaalsContact OE1-CZ 3.23Å; E362-R553 IonicContact OE1-NH1 2.95Å; E362-R553 PolarHBondContact OE1-NH1 3.13Å; E362-R553 IonicContact OE1-NH2 3.98Å; E362-R553 PolarHBondContact OE1-NH2 3.1Å; E362-R553 IonicContact OE2-NH2 3.32Å | ||
| 363 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 99.5 | 171.7 | -175 | 0 | 0 | 0 | 0 | 108.4 | G335 S336 A340 A341 H359 Q361 V366 T378 C379 | G335-V363 WeakPolarHBondContact CA-O 3Å; S336-V363 PolarHBondContact N-O 3Å; S336-V363 PolarHBondContact O-N 2.86Å; A340-V363 WeakPolarHBondContact O-CG2 3.47Å; A341-V363 HydrophobicContact CB-CG1 4.34Å; H359-V363 HydrophobicContact CB-CG2 3.99Å; Q361-V363 PolarHBondContact O-N 2.83Å; V363-V366 HydrophobicContact CG1-CG1 3.73Å; V363-T378 HydrophobicContact CG1-CG2 4.38Å; V363-C379 CarbonylContact C-O 3.48Å; V363-C379 WeakPolarHBondContact CA-O 3.46Å; V363-C379 WeakPolarHBondContact CG1-O 3.35Å |
| 364 | T | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -45.3 | -174.5 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | P52 V321 K322 E362 C379 D381 | P52-T364 PolarHBondContact O-OG1 3.11Å; V321-T364 CarbonylContact C-O 3.51Å; V321-T364 WeakPolarHBondContact CA-O 3.34Å; K322-T364 PolarHBondContact N-O 3.44Å; E362-T364 HydrophobicContact CG-CG2 4.14Å; E362-T364 PolarHBondContact O-N 2.52Å; T364-C379 PolarHBondContact N-O 2.85Å; T364-C379 PolarHBondContact OG1-O 2.92Å; T364-D381 VanDerWaalsContact CG2-OD1 3.27Å; T364-D381 WeakPolarHBondContact CG2-OD1 3.45Å |
| 365 | S | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137 | -174.8 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | C55 T378 C379 | C55-S365 PolarHBondContact N-OG 2.92Å; C55-S365 PolarHBondContact SG-OG 2.88Å; S365-T378 CarbonylContact O-C 3.59Å; S365-T378 WeakPolarHBondContact O-CA 3.1Å; S365-C379 PolarHBondContact N-O 2.78Å; S365-C379 PolarHBondContact O-N 2.87Å |
| 366 | V | 98.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.2 | 174.4 | -50.3 | 0 | 0 | 0 | 0 | 110.6 | V333 G335 A341 V363 A377 T378 | V333-V366 HydrophobicContact CG1-CG2 4.02Å; V333-V366 HydrophobicContact CG2-CG2 4.3Å; G335-V366 VanDerWaalsContact N-CG1 3.3Å; A341-V366 HydrophobicContact CB-CG1 4.33Å; V363-V366 HydrophobicContact CG1-CG1 3.73Å; V366-A377 CarbonylContact C-O 3.57Å; V366-A377 VanDerWaalsContact CA-O 3.31Å; V366-A377 WeakPolarHBondContact CA-O 3.5Å; V366-T378 HydrophobicContact CB-CG2 4.33Å; V366-T378 HydrophobicContact CG1-CG2 3.87Å |
| 367 | C | 97.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 10% | 0.095 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 130.6 | 178.2 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | C55 F57 A377 | C55-C367 WeakPolarHBondContact O-CB 3.36Å; F57-C367 HydrophobicContact CD2-CB 4.28Å; C367-A377 PolarHBondContact N-O 3.29Å; C367-A377 PolarHBondContact O-N 2.72Å |
| 368 | W | 96.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.8 | 167.4 | -134.6 | -54 | 0 | 0 | 0 | 110 | Y32 S324 L325 F331 V333 I343 F373 K375 I376 | Y32-W368 HydrophobicContact CE2-CZ2 4.47Å; Y32-W368 WeakPolarHBondContact OH-CZ2 3.43Å; S324-W368 PolarHBondContact OG-N 3.18Å; L325-W368 WeakPolarHBondContact O-CB 3.5Å; F331-W368 HydrophobicContact CB-CH2 3.63Å; F331-W368 HydrophobicContact CB-CZ3 3.75Å; F331-W368 HydrophobicContact CG-CH2 4.36Å; V333-W368 HydrophobicContact CB-CE3 4.12Å; V333-W368 HydrophobicContact CB-CZ3 3.97Å; V333-W368 HydrophobicContact CG1-CE3 3.66Å; V333-W368 HydrophobicContact CG1-CZ3 4.05Å; I343-W368 HydrophobicContact CD1-CH2 4.39Å; I343-W368 HydrophobicContact CG2-CH2 3.88Å; I343-W368 HydrophobicContact CG2-CZ3 4.18Å; W368-F373 AromaticContact CE2-CE2 3.8Å; W368-F373 AromaticContact CH2-CE2 3.85Å; W368-F373 HydrophobicContact CH2-CE2 3.85Å; W368-F373 AromaticContact CH2-CZ 3.95Å; W368-F373 HydrophobicContact CH2-CZ 3.95Å; W368-F373 AromaticContact CZ2-CD2 3.9Å; W368-F373 HydrophobicContact CZ2-CD2 3.9Å; W368-F373 HydrophobicContact CZ2-CE1 4.08Å; W368-F373 AromaticContact CZ2-CE2 3.23Å; W368-F373 HydrophobicContact CZ2-CE2 3.23Å; W368-F373 AromaticContact CZ2-CZ 3.33Å; W368-F373 HydrophobicContact CZ2-CZ 3.33Å; W368-F373 AromaticContact NE1-CD2 3.94Å; W368-F373 PolarHBondContact NE1-O 2.91Å; W368-K375 VanDerWaalsContact CD1-O 3.26Å; W368-I376 HydrophobicContact CD2-CD1 4.17Å; W368-I376 HydrophobicContact CD2-CG1 3.97Å; W368-I376 HydrophobicContact CE3-CD1 4.49Å; W368-I376 HydrophobicContact CG-CG1 4.1Å; W368-I376 HydrophobicContact CH2-CD1 4.08Å; W368-I376 HydrophobicContact CZ2-CD1 3.72Å; W368-I376 HydrophobicContact CZ2-CG1 4.17Å; W368-I376 HydrophobicContact CZ3-CD1 4.46Å |
| 369 | C | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | trans | -68.3 | 122.3 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 110 | F57 P327 S371 D372 K375 | F57-C369 HydrophobicContact CD1-CB 4.13Å; F57-C369 VanDerWaalsContact CD2-CA 3.46Å; F57-C369 HydrophobicContact CD2-CB 3.93Å; F57-C369 HydrophobicContact CE1-CB 3.99Å; F57-C369 HydrophobicContact CE2-CB 3.8Å; F57-C369 HydrophobicContact CG-CB 4.1Å; F57-C369 HydrophobicContact CZ-CB 3.84Å; P327-C369 WeakPolarHBondContact CG-O 3.39Å; C369-S371 VanDerWaalsContact C-N 3.3Å; C369-S371 PolarHBondContact O-N 3.09Å; C369-D372 HydrophobicContact CB-CB 4.39Å; C369-D372 WeakPolarHBondContact CB-O 3.21Å; C369-D372 CarbonylContact O-C 3.51Å; C369-D372 PolarHBondContact O-N 3.44Å; C369-K375 HydrophobicContact CB-CB 3.72Å; C369-K375 WeakPolarHBondContact CB-O 3.28Å; C369-K375 PolarHBondContact N-O 3.19Å | ||
| 370 | P | 91.8 | Very high | 95.6 | Very high | 60 Ų | 60 | 18.7 Ų | 18.7 | 39% | 0.39 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -69.5 | -20.9 | -165.3 | 26.5 | -36 | 0 | 0 | 0 | 114.6 | F57 P327 | F57-P370 VanDerWaalsContact CB-CD 3.4Å; F57-P370 HydrophobicContact CB-CG 4.27Å; P327-P370 VanDerWaalsContact CB-O 3.31Å; P327-P370 WeakPolarHBondContact CB-O 3.32Å; P327-P370 WeakPolarHBondContact CG-O 3.23Å |
| 371 | S | 90 | Very high | 95.6 | Very high | 39 Ų | 39 | 15.7 Ų | 15.7 | 27% | 0.273 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -110 | -11.8 | 176.2 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | L2 E64 C369 | L2-S371 WeakPolarHBondContact CD1-O 3.31Å; E64-S371 WeakPolarHBondContact CB-OG 3.44Å; E64-S371 VanDerWaalsContact CD-CB 3.49Å; E64-S371 WeakPolarHBondContact OE2-CB 3.46Å; E64-S371 PolarHBondContact OE2-OG 3.3Å; C369-S371 VanDerWaalsContact C-N 3.3Å; C369-S371 PolarHBondContact O-N 3.09Å |
| 372 | D | 89.5 | Confident | 95.6 | Very high | 38 Ų | 38 | 12.3 Ų | 12.3 | 20% | 0.203 | 7% | 0.073 | C | C | . | . | trans | -128.5 | 103.6 | -177.7 | -175.5 | -0.8 | 0 | 0 | 0 | 110.7 | C369 T374 K375 | C369-D372 HydrophobicContact CB-CB 4.39Å; C369-D372 WeakPolarHBondContact CB-O 3.21Å; C369-D372 CarbonylContact O-C 3.51Å; C369-D372 PolarHBondContact O-N 3.44Å; D372-T374 PolarHBondContact O-N 2.9Å; D372-T374 VanDerWaalsContact O-N 3.07Å; D372-T374 VanDerWaalsContact OD1-CB 3.3Å; D372-T374 WeakPolarHBondContact OD1-CB 3.37Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.38Å; D372-T374 PolarHBondContact OD1-N 2.74Å; D372-T374 PolarHBondContact OD1-OG1 2.82Å; D372-T374 PolarHBondContact OD2-OG1 3.05Å; D372-K375 PolarHBondContact O-N 2.6Å; D372-K375 IonicContact OD2-NZ 3.56Å; D372-K375 PolarHBondContact OD2-NZ 2.84Å | ||
| 373 | F | 91.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -27.6 | 175.8 | -175.8 | -88.7 | 0 | 0 | 0 | 112.2 | F3 L29 Y32 F331 W368 K375 L390 | F3-F373 AromaticContact CD2-CD1 3.71Å; F3-F373 HydrophobicContact CD2-CD1 3.71Å; F3-F373 AromaticContact CD2-CD2 3.88Å; F3-F373 HydrophobicContact CD2-CD2 3.88Å; F3-F373 AromaticContact CD2-CE1 3.4Å; F3-F373 HydrophobicContact CD2-CE1 3.4Å; F3-F373 AromaticContact CD2-CE2 3.57Å; F3-F373 HydrophobicContact CD2-CE2 3.57Å; F3-F373 AromaticContact CD2-CG 3.96Å; F3-F373 HydrophobicContact CD2-CG 3.96Å; F3-F373 AromaticContact CD2-CZ 3.33Å; F3-F373 HydrophobicContact CD2-CZ 3.33Å; F3-F373 HydrophobicContact CE2-CD1 4.09Å; F3-F373 AromaticContact CE2-CE1 3.38Å; F3-F373 HydrophobicContact CE2-CE1 3.38Å; F3-F373 HydrophobicContact CE2-CE2 4.14Å; F3-F373 AromaticContact CE2-CZ 3.42Å; F3-F373 HydrophobicContact CE2-CZ 3.42Å; F3-F373 VanDerWaalsContact CE2-CZ 3.42Å; L29-F373 HydrophobicContact CD2-CE1 4.48Å; L29-F373 HydrophobicContact CD2-CZ 4.07Å; Y32-F373 VanDerWaalsContact OH-CE1 3.26Å; Y32-F373 WeakPolarHBondContact OH-CE1 3.4Å; Y32-F373 PolarHBondContact OH-O 2.8Å; F331-F373 AromaticContact CD2-CE2 3.71Å; F331-F373 HydrophobicContact CD2-CE2 3.71Å; F331-F373 AromaticContact CD2-CZ 3.9Å; F331-F373 HydrophobicContact CD2-CZ 3.9Å; F331-F373 HydrophobicContact CE2-CE2 4.19Å; F331-F373 HydrophobicContact CE2-CZ 4.1Å; W368-F373 AromaticContact CE2-CE2 3.8Å; W368-F373 AromaticContact CH2-CE2 3.85Å; W368-F373 HydrophobicContact CH2-CE2 3.85Å; W368-F373 AromaticContact CH2-CZ 3.95Å; W368-F373 HydrophobicContact CH2-CZ 3.95Å; W368-F373 AromaticContact CZ2-CD2 3.9Å; W368-F373 HydrophobicContact CZ2-CD2 3.9Å; W368-F373 HydrophobicContact CZ2-CE1 4.08Å; W368-F373 AromaticContact CZ2-CE2 3.23Å; W368-F373 HydrophobicContact CZ2-CE2 3.23Å; W368-F373 AromaticContact CZ2-CZ 3.33Å; W368-F373 HydrophobicContact CZ2-CZ 3.33Å; W368-F373 AromaticContact NE1-CD2 3.94Å; W368-F373 PolarHBondContact NE1-O 2.91Å; F373-K375 VanDerWaalsContact C-N 3.26Å; F373-K375 PolarHBondContact O-N 3.48Å; F373-L390 HydrophobicContact CD1-CD2 4.21Å; F373-L390 HydrophobicContact CE1-CD2 4.29Å |
| 374 | T | 91 | Very high | 95.5 | Very high | 32 Ų | 32 | 13.9 Ų | 13.9 | 20% | 0.196 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -6 | -173.7 | 72.8 | 0 | 0 | 0 | 0 | 115.2 | V6 D372 R389 L390 | V6-T374 HydrophobicContact CG1-CG2 3.93Å; D372-T374 PolarHBondContact O-N 2.9Å; D372-T374 VanDerWaalsContact O-N 3.07Å; D372-T374 VanDerWaalsContact OD1-CB 3.3Å; D372-T374 WeakPolarHBondContact OD1-CB 3.37Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.38Å; D372-T374 PolarHBondContact OD1-N 2.74Å; D372-T374 PolarHBondContact OD1-OG1 2.82Å; D372-T374 PolarHBondContact OD2-OG1 3.05Å; T374-R389 CarbonylContact O-C 3.51Å; T374-R389 WeakPolarHBondContact O-CA 3.46Å; T374-L390 HydrophobicContact CG2-CB 4.16Å; T374-L390 HydrophobicContact CG2-CD2 4.15Å; T374-L390 PolarHBondContact O-N 2.99Å |
| 375 | K | 93.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 14 Ų | 14 | 7% | 0.07 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.7 | -178.4 | -57.9 | -172.3 | -171.8 | 83 | 0 | 112.6 | F57 T81 W368 C369 D372 F373 W388 | F57-K375 HydrophobicContact CZ-CB 4.43Å; T81-K375 WeakPolarHBondContact OG1-CD 3.47Å; W368-K375 VanDerWaalsContact CD1-O 3.26Å; C369-K375 HydrophobicContact CB-CB 3.72Å; C369-K375 WeakPolarHBondContact CB-O 3.28Å; C369-K375 PolarHBondContact N-O 3.19Å; D372-K375 PolarHBondContact O-N 2.6Å; D372-K375 IonicContact OD2-NZ 3.56Å; D372-K375 PolarHBondContact OD2-NZ 2.84Å; F373-K375 VanDerWaalsContact C-N 3.26Å; F373-K375 PolarHBondContact O-N 3.48Å; K375-W388 WeakPolarHBondContact CA-O 3.1Å |
| 376 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.4 | 167.8 | -57.7 | 172.3 | 0 | 0 | 0 | 108.2 | Y32 I343 W368 T378 I387 W388 | Y32-I376 HydrophobicContact CD1-CD1 4.42Å; Y32-I376 HydrophobicContact CD2-CD1 4.37Å; Y32-I376 HydrophobicContact CE1-CD1 3.94Å; Y32-I376 HydrophobicContact CE1-CG1 4.1Å; Y32-I376 HydrophobicContact CE2-CD1 3.89Å; I343-I376 HydrophobicContact CD1-CD1 3.72Å; W368-I376 HydrophobicContact CD2-CD1 4.17Å; W368-I376 HydrophobicContact CD2-CG1 3.97Å; W368-I376 HydrophobicContact CE3-CD1 4.49Å; W368-I376 HydrophobicContact CG-CG1 4.1Å; W368-I376 HydrophobicContact CH2-CD1 4.08Å; W368-I376 HydrophobicContact CZ2-CD1 3.72Å; W368-I376 HydrophobicContact CZ2-CG1 4.17Å; W368-I376 HydrophobicContact CZ3-CD1 4.46Å; I376-T378 HydrophobicContact CG2-CG2 4.35Å; I376-I387 CarbonylContact O-C 3.54Å; I376-W388 HydrophobicContact CB-CB 4.25Å; I376-W388 PolarHBondContact N-O 2.93Å; I376-W388 VanDerWaalsContact N-O 3.1Å; I376-W388 PolarHBondContact O-N 2.79Å |
| 377 | A | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F57 L67 V366 C367 L385 | F57-A377 HydrophobicContact CE2-CB 3.89Å; F57-A377 HydrophobicContact CZ-CB 4.26Å; L67-A377 HydrophobicContact CD1-CB 3.88Å; L67-A377 HydrophobicContact CD2-CB 3.52Å; L67-A377 HydrophobicContact CG-CB 4.36Å; V366-A377 CarbonylContact C-O 3.57Å; V366-A377 VanDerWaalsContact CA-O 3.31Å; V366-A377 WeakPolarHBondContact CA-O 3.5Å; C367-A377 PolarHBondContact N-O 3.29Å; C367-A377 PolarHBondContact O-N 2.72Å; A377-L385 HydrophobicContact CB-CD1 4.24Å |
| 378 | T | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.2 | 176.1 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | A341 H359 V363 S365 V366 I376 L385 K386 W388 | A341-T378 HydrophobicContact CB-CG2 4.13Å; H359-T378 PolarHBondContact CD2-OG1 2.76Å; H359-T378 PolarHBondContact NE2-OG1 2.88Å; V363-T378 HydrophobicContact CG1-CG2 4.38Å; S365-T378 CarbonylContact O-C 3.59Å; S365-T378 WeakPolarHBondContact O-CA 3.1Å; V366-T378 HydrophobicContact CB-CG2 4.33Å; V366-T378 HydrophobicContact CG1-CG2 3.87Å; I376-T378 HydrophobicContact CG2-CG2 4.35Å; T378-L385 CarbonylContact O-C 3.57Å; T378-L385 WeakPolarHBondContact O-CA 3.44Å; T378-K386 PolarHBondContact N-O 3.21Å; T378-K386 PolarHBondContact O-N 3.11Å; T378-W388 VanDerWaalsContact CG2-NE1 3.31Å; T378-W388 PolarHBondContact OG1-NE1 2.88Å |
| 379 | C | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.1 | 177.7 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | P52 V363 T364 S365 T384 | P52-C379 HydrophobicContact CB-CB 3.95Å; P52-C379 HydrophobicContact CG-CB 3.81Å; V363-C379 CarbonylContact C-O 3.48Å; V363-C379 WeakPolarHBondContact CA-O 3.46Å; V363-C379 WeakPolarHBondContact CG1-O 3.35Å; T364-C379 PolarHBondContact N-O 2.85Å; T364-C379 PolarHBondContact OG1-O 2.92Å; S365-C379 PolarHBondContact N-O 2.78Å; S365-C379 PolarHBondContact O-N 2.87Å; C379-T384 WeakPolarHBondContact CA-O 3.42Å |
| 380 | S | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.1 | -177.8 | 169.5 | 0 | 0 | 0 | 0 | 112.6 | P52 H359 Q361 E362 D382 N383 T384 | P52-S380 WeakPolarHBondContact CD-O 3.37Å; H359-S380 WeakPolarHBondContact ND1-CB 3.28Å; Q361-S380 VanDerWaalsContact C-OG 3.23Å; Q361-S380 PolarHBondContact O-OG 2.8Å; E362-S380 WeakPolarHBondContact O-CA 3.32Å; E362-S380 WeakPolarHBondContact O-CB 3.38Å; E362-S380 PolarHBondContact O-OG 3.2Å; E362-S380 VanDerWaalsContact O-OG 3.11Å; S380-D382 WeakPolarHBondContact CB-OD1 3.33Å; S380-D382 PolarHBondContact O-N 2.74Å; S380-D382 VanDerWaalsContact O-N 3.11Å; S380-D382 VanDerWaalsContact OG-CG 3.26Å; S380-D382 PolarHBondContact OG-N 3.05Å; S380-D382 VanDerWaalsContact OG-N 3.09Å; S380-D382 PolarHBondContact OG-OD2 2.95Å; S380-N383 PolarHBondContact O-N 2.9Å; S380-N383 VanDerWaalsContact O-N 3.14Å; S380-T384 PolarHBondContact N-O 3.28Å; S380-T384 VanDerWaalsContact N-O 3.14Å |
| 381 | D | 97.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 6% | 0.064 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.9 | 167.9 | -80 | 4.2 | 0 | 0 | 0 | 113.1 | Q361 E362 T364 N383 R553 | Q361-D381 HydrophobicContact CB-CB 3.95Å; Q361-D381 PolarHBondContact NE2-O 3.12Å; E362-D381 PolarHBondContact O-N 2.73Å; T364-D381 VanDerWaalsContact CG2-OD1 3.27Å; T364-D381 WeakPolarHBondContact CG2-OD1 3.45Å; D381-N383 PolarHBondContact O-N 3.36Å; D381-N383 VanDerWaalsContact O-N 3.08Å; D381-R553 IonicContact OD1-NH1 2.67Å; D381-R553 PolarHBondContact OD1-NH1 2.8Å; D381-R553 WeakPolarHBondContact OD2-CD 3.1Å; D381-R553 IonicContact OD2-CZ 2.85Å; D381-R553 IonicContact OD2-NE 3.86Å; D381-R553 PolarHBondContact OD2-NE 3.31Å; D381-R553 IonicContact OD2-NH1 3.01Å; D381-R553 PolarHBondContact OD2-NH1 2.96Å; D381-R553 IonicContact OD2-NH2 3.99Å |
| 382 | D | 96.9 | Very high | 93.4 | Very high | 17 Ų | 17 | 18.9 Ų | 18.9 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 1.6 | 168.1 | 70.7 | 18.8 | 0 | 0 | 0 | 114.1 | H359 S360 Q361 S380 T384 | H359-D382 VanDerWaalsContact CA-OD2 3.23Å; H359-D382 WeakPolarHBondContact CA-OD2 3.31Å; H359-D382 VanDerWaalsContact CB-OD2 3.3Å; H359-D382 WeakPolarHBondContact CB-OD2 3.17Å; H359-D382 IonicContact CE1-OD1 3.35Å; H359-D382 IonicContact CE1-OD2 3.89Å; H359-D382 IonicContact CG-OD2 3.2Å; H359-D382 IonicContact ND1-OD1 2.67Å; H359-D382 PolarHBondContact ND1-OD1 2.92Å; H359-D382 IonicContact ND1-OD2 2.81Å; H359-D382 PolarHBondContact ND1-OD2 3.33Å; S360-D382 PolarHBondContact N-OD2 2.88Å; S360-D382 WeakPolarHBondContact OG-CB 3.48Å; Q361-D382 HydrophobicContact CB-CB 4.16Å; Q361-D382 HydrophobicContact CG-CB 4.14Å; S380-D382 WeakPolarHBondContact CB-OD1 3.33Å; S380-D382 PolarHBondContact O-N 2.74Å; S380-D382 VanDerWaalsContact O-N 3.11Å; S380-D382 VanDerWaalsContact OG-CG 3.26Å; S380-D382 PolarHBondContact OG-N 3.05Å; S380-D382 VanDerWaalsContact OG-N 3.09Å; S380-D382 PolarHBondContact OG-OD2 2.95Å; D382-T384 VanDerWaalsContact C-N 3.29Å; D382-T384 WeakPolarHBondContact OD1-CA 3.31Å; D382-T384 VanDerWaalsContact OD1-CB 3.24Å; D382-T384 WeakPolarHBondContact OD1-CB 3.31Å; D382-T384 WeakPolarHBondContact OD1-CG2 3.47Å; D382-T384 PolarHBondContact OD1-N 3Å; D382-T384 PolarHBondContact OD1-OG1 3.23Å; D382-T384 PolarHBondContact OD2-OG1 3Å |
| 383 | N | 97.4 | Very high | 91.7 | Very high | 35 Ų | 35 | 18.9 Ų | 18.9 | 19% | 0.187 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 75.1 | 9 | -178.5 | -41.9 | -86.4 | 0 | 0 | 0 | 114.1 | S42 P49 V50 P51 S380 D381 | S42-N383 PolarHBondContact N-O 2.84Å; P49-N383 HydrophobicContact CB-CB 3.79Å; P49-N383 PolarHBondContact O-OD1 2.91Å; V50-N383 WeakPolarHBondContact CA-OD1 3.26Å; V50-N383 PolarHBondContact N-OD1 3.07Å; P51-N383 WeakPolarHBondContact CD-OD1 3.25Å; S380-N383 PolarHBondContact O-N 2.9Å; S380-N383 VanDerWaalsContact O-N 3.14Å; D381-N383 PolarHBondContact O-N 3.36Å; D381-N383 VanDerWaalsContact O-N 3.08Å |
| 384 | T | 97.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.5 | -176.9 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | E39 P52 H359 C379 S380 D382 K386 | E39-T384 HydrophobicContact CG-CG2 4.44Å; E39-T384 WeakPolarHBondContact OE1-CG2 3.32Å; P52-T384 WeakPolarHBondContact CG-O 3.49Å; H359-T384 PolarHBondContact CE1-OG1 3.26Å; H359-T384 PolarHBondContact ND1-OG1 2.92Å; H359-T384 VanDerWaalsContact ND1-OG1 3.16Å; C379-T384 WeakPolarHBondContact CA-O 3.42Å; S380-T384 PolarHBondContact N-O 3.28Å; S380-T384 VanDerWaalsContact N-O 3.14Å; D382-T384 VanDerWaalsContact C-N 3.29Å; D382-T384 WeakPolarHBondContact OD1-CA 3.31Å; D382-T384 VanDerWaalsContact OD1-CB 3.24Å; D382-T384 WeakPolarHBondContact OD1-CB 3.31Å; D382-T384 WeakPolarHBondContact OD1-CG2 3.47Å; D382-T384 PolarHBondContact OD1-N 3Å; D382-T384 PolarHBondContact OD1-OG1 3.23Å; D382-T384 PolarHBondContact OD2-OG1 3Å; T384-K386 WeakPolarHBondContact OG1-CE 3.27Å |
| 385 | L | 97.3 | Very high | 87 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.5 | 160.4 | 160.4 | 71 | 0 | 0 | 0 | 107.3 | E39 H40 L67 V69 Y79 A377 T378 I387 | E39-L385 CarbonylContact C-O 3.55Å; E39-L385 WeakPolarHBondContact CA-O 3.43Å; H40-L385 HydrophobicContact CB-CB 4.25Å; H40-L385 HydrophobicContact CB-CD2 4.16Å; H40-L385 HydrophobicContact CB-CG 4.46Å; H40-L385 PolarHBondContact N-O 3.28Å; H40-L385 PolarHBondContact O-N 3.16Å; L67-L385 HydrophobicContact CD2-CD1 3.8Å; L67-L385 HydrophobicContact CD2-CD2 4.12Å; V69-L385 HydrophobicContact CG2-CD1 4.13Å; V69-L385 HydrophobicContact CG2-CD2 3.83Å; Y79-L385 HydrophobicContact CD1-CD2 4.33Å; Y79-L385 HydrophobicContact CD2-CD2 3.71Å; Y79-L385 HydrophobicContact CE1-CD2 4.2Å; Y79-L385 HydrophobicContact CE2-CD2 3.58Å; Y79-L385 HydrophobicContact CG-CD2 4.1Å; A377-L385 HydrophobicContact CB-CD1 4.24Å; T378-L385 CarbonylContact O-C 3.57Å; T378-L385 WeakPolarHBondContact O-CA 3.44Å; L385-I387 HydrophobicContact CD1-CG1 4.47Å; L385-I387 HydrophobicContact CG-CG1 4.43Å |
| 386 | K | 96.8 | Very high | 84.4 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.6 | 172.6 | -70.1 | 177.4 | -165 | -105.2 | 0 | 110 | E39 G358 H359 T378 T384 W388 V406 | E39-K386 HydrophobicContact CB-CG 4.26Å; E39-K386 HydrophobicContact CG-CG 4.22Å; E39-K386 WeakPolarHBondContact OE1-CE 3.21Å; E39-K386 IonicContact OE1-NZ 3.41Å; E39-K386 PolarHBondContact OE1-NZ 3.38Å; E39-K386 IonicContact OE2-NZ 4Å; E39-K386 PolarHBondContact OE2-NZ 2.92Å; G358-K386 WeakPolarHBondContact O-CE 3.35Å; G358-K386 PolarHBondContact O-NZ 2.72Å; H359-K386 WeakPolarHBondContact ND1-CE 3.41Å; T378-K386 PolarHBondContact N-O 3.21Å; T378-K386 PolarHBondContact O-N 3.11Å; T384-K386 WeakPolarHBondContact OG1-CE 3.27Å; K386-W388 HydrophobicContact CB-CZ2 4.36Å; K386-W388 HydrophobicContact CD-CZ2 4.49Å; K386-V406 PolarHBondContact NZ-O 2.9Å |
| 387 | I | 95.9 | Very high | 81.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.7 | 177.1 | -59.9 | 158.2 | 0 | 0 | 0 | 108.7 | D38 L67 T81 I376 L385 | D38-I387 HydrophobicContact CB-CB 4.1Å; D38-I387 WeakPolarHBondContact CB-O 3.24Å; D38-I387 PolarHBondContact O-N 3.45Å; L67-I387 HydrophobicContact CD2-CG1 4.31Å; T81-I387 HydrophobicContact CG2-CD1 3.99Å; T81-I387 HydrophobicContact CG2-CG2 4.4Å; I376-I387 CarbonylContact O-C 3.54Å; L385-I387 HydrophobicContact CD1-CG1 4.47Å; L385-I387 HydrophobicContact CG-CG1 4.43Å |
| 388 | W | 95.8 | Very high | 78.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.2 | -177.1 | -50.5 | 76.1 | 0 | 0 | 0 | 109.5 | Y32 Q33 C34 L356 L357 K375 I376 T378 K386 | Y32-W388 HydrophobicContact CD1-CB 4.03Å; Q33-W388 WeakPolarHBondContact O-CA 3.26Å; C34-W388 HydrophobicContact CB-CD2 4.27Å; C34-W388 HydrophobicContact CB-CE3 4.16Å; C34-W388 HydrophobicContact CB-CZ3 4.41Å; L356-W388 HydrophobicContact CB-CD2 4.37Å; L356-W388 HydrophobicContact CB-CE3 4.13Å; L356-W388 HydrophobicContact CB-CH2 3.71Å; L356-W388 HydrophobicContact CB-CZ2 3.95Å; L356-W388 HydrophobicContact CB-CZ3 3.78Å; L356-W388 HydrophobicContact CD1-CD2 4.03Å; L356-W388 HydrophobicContact CD1-CE3 4.38Å; L356-W388 HydrophobicContact CD1-CG 4.25Å; L356-W388 HydrophobicContact CD2-CE3 4.05Å; L356-W388 HydrophobicContact CD2-CZ3 4.32Å; L356-W388 HydrophobicContact CG-CE3 4.42Å; L357-W388 WeakPolarHBondContact O-CH2 3.06Å; K375-W388 WeakPolarHBondContact CA-O 3.1Å; I376-W388 HydrophobicContact CB-CB 4.25Å; I376-W388 PolarHBondContact N-O 2.93Å; I376-W388 VanDerWaalsContact N-O 3.1Å; I376-W388 PolarHBondContact O-N 2.79Å; T378-W388 VanDerWaalsContact CG2-NE1 3.31Å; T378-W388 PolarHBondContact OG1-NE1 2.88Å; K386-W388 HydrophobicContact CB-CZ2 4.36Å; K386-W388 HydrophobicContact CD-CZ2 4.49Å |
| 389 | R | 92.3 | Very high | 76.1 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.5 | 175.1 | -58.6 | -176.4 | -170.2 | -94.8 | -8.6 | 109.5 | Y32 Q33 D38 T81 T374 N391 | Y32-R389 WeakPolarHBondContact CA-O 3.2Å; Q33-R389 PolarHBondContact N-O 2.85Å; Q33-R389 PolarHBondContact O-N 2.74Å; D38-R389 IonicContact OD1-CZ 2.66Å; D38-R389 IonicContact OD1-NE 2.69Å; D38-R389 PolarHBondContact OD1-NE 2.64Å; D38-R389 IonicContact OD1-NH2 3.99Å; D38-R389 PolarHBondContact OD1-NH2 3.07Å; D38-R389 IonicContact OD2-CZ 2.72Å; D38-R389 IonicContact OD2-NE 3.42Å; D38-R389 PolarHBondContact OD2-NE 3.36Å; D38-R389 IonicContact OD2-NH2 2.66Å; T81-R389 PolarHBondContact O-NH1 3.31Å; T81-R389 PolarHBondContact O-NH2 2.94Å; T374-R389 CarbonylContact O-C 3.51Å; T374-R389 WeakPolarHBondContact O-CA 3.46Å; R389-N391 PolarHBondContact O-N 2.88Å; R389-N391 VanDerWaalsContact O-N 3.07Å |
| 390 | L | 90.3 | Very high | 73.5 | Confident | 14 Ų | 14 | 57.5 Ų | 57.5 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 91.6 | 175 | -174.5 | 70.7 | 0 | 0 | 0 | 110.3 | L28 Y32 F373 T374 R392 | L28-L390 WeakPolarHBondContact O-CD1 3.38Å; Y32-L390 HydrophobicContact CD1-CB 4.11Å; Y32-L390 HydrophobicContact CD1-CD1 4.33Å; Y32-L390 HydrophobicContact CD2-CD1 4.07Å; Y32-L390 HydrophobicContact CE1-CB 3.72Å; Y32-L390 HydrophobicContact CE1-CD1 4.18Å; Y32-L390 HydrophobicContact CE2-CD1 3.91Å; Y32-L390 HydrophobicContact CG-CD1 4.24Å; F373-L390 HydrophobicContact CD1-CD2 4.21Å; F373-L390 HydrophobicContact CE1-CD2 4.29Å; T374-L390 HydrophobicContact CG2-CB 4.16Å; T374-L390 HydrophobicContact CG2-CD2 4.15Å; T374-L390 PolarHBondContact O-N 2.99Å; L390-R392 HydrophobicContact CG-CG 4.35Å |
| 391 | N | 82 | Confident | 70.9 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | trans | -71.3 | 133.4 | 173.2 | -167.1 | -3.5 | 0 | 0 | 0 | 110.2 | G31 Q33 R389 G393 | G31-N391 WeakPolarHBondContact O-CB 3.16Å; G31-N391 PolarHBondContact O-N 3.19Å; Q33-N391 PolarHBondContact OE1-ND2 2.75Å; R389-N391 PolarHBondContact O-N 2.88Å; R389-N391 VanDerWaalsContact O-N 3.07Å; N391-G393 PolarHBondContact OD1-N 2.86Å | ||
| 392 | R | 66.6 | Low | 68.8 | Low | 70 Ų | 70 | 69 Ų | 69 | 26% | 0.264 | 38% | 0.377 | S | S | . | . | trans | -123.1 | 3.5 | -177.8 | -73.8 | 170.2 | 156.3 | -116.9 | 3.7 | 112.8 | V6 Q11 L390 | V6-R392 VanDerWaalsContact CG1-CZ 3.46Å; V6-R392 PolarHBondContact O-NH1 2.96Å; V6-R392 PolarHBondContact O-NH2 3.36Å; Q11-R392 PolarHBondContact NE2-O 2.96Å; L390-R392 HydrophobicContact CG-CG 4.35Å | ||
| 393 | G | 53.9 | Low | 66.5 | Low | 39 Ų | 39 | 77.4 Ų | 77.4 | 40% | 0.402 | 41% | 0.413 | S | S | . | . | trans | -87.7 | 125.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | N391 E395 | N391-G393 PolarHBondContact OD1-N 2.86Å; G393-E395 PolarHBondContact O-N 2.69Å | ||
| 394 | L | 43.9 | Very low | 65.6 | Low | 169 Ų | 169 | 78 Ų | 78 | 89% | 0.885 | 42% | 0.42 | S | S | * | . | trans | -84.8 | 21.7 | 151.8 | -139.5 | 160.3 | 0 | 0 | 0 | 109.9 | E396 | L394-E396 PolarHBondContact O-N 2.86Š| ||
| 395 | E | 39.8 | Very low | 65.1 | Low | 142 Ų | 142 | 81 Ų | 81 | 66% | 0.664 | 43% | 0.434 | S | S | * | . | trans | -72.3 | 79.3 | 168 | -76.4 | -113.3 | 131.7 | 0 | 0 | 109.2 | G393 K397 | G393-E395 PolarHBondContact O-N 2.69Å; E395-K397 PolarHBondContact O-N 2.88Å; E395-K397 WeakPolarHBondContact OE2-CE 3.47Å | ||
| 396 | E | 40 | Very low | 64.9 | Low | 128 Ų | 128 | 82.8 Ų | 82.8 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | trans | -65.7 | 81.8 | 150.4 | -67.3 | -151.4 | 137.2 | 0 | 0 | 108.2 | L394 P398 K402 | L394-E396 PolarHBondContact O-N 2.86Å; E396-P398 VanDerWaalsContact O-CD 3.24Å; E396-P398 WeakPolarHBondContact O-CD 3.29Å; E396-P398 VanDerWaalsContact O-N 3.16Å; E396-K402 VanDerWaalsContact OE1-CE 3.29Å; E396-K402 WeakPolarHBondContact OE1-CE 3.29Å; E396-K402 IonicContact OE1-NZ 2.83Å; E396-K402 PolarHBondContact OE1-NZ 3.49Å; E396-K402 IonicContact OE2-NZ 3.51Å | ||
| 397 | K | 37.2 | Very low | 64.7 | Low | 136 Ų | 136 | 82.5 Ų | 82.5 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | trans | -58.9 | 117.1 | 161.7 | -74.7 | -168.7 | 175.2 | -175 | 0 | 107 | E395 G399 S400 | E395-K397 PolarHBondContact O-N 2.88Å; E395-K397 WeakPolarHBondContact OE2-CE 3.47Å; K397-G399 PolarHBondContact O-N 2.97Å; K397-S400 PolarHBondContact O-N 3.47Å; K397-S400 PolarHBondContact O-OG 2.73Å | ||
| 398 | P | 35.9 | Very low | 64.7 | Low | 138 Ų | 138 | 88.3 Ų | 88.3 | 90% | 0.896 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 98 | -178.3 | 27.5 | -33 | 0 | 0 | 0 | 108.4 | E396 | E396-P398 VanDerWaalsContact O-CD 3.24Å; E396-P398 WeakPolarHBondContact O-CD 3.29Å; E396-P398 VanDerWaalsContact O-N 3.16Å |
| 399 | G | 45.3 | Very low | 64.6 | Low | 78 Ų | 78 | 88.9 Ų | 88.9 | 80% | 0.804 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.2 | 3.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K397 | K397-G399 PolarHBondContact O-N 2.97Š|
| 400 | S | 43.7 | Very low | 64.6 | Low | 68 Ų | 68 | 88.4 Ų | 88.4 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | trans | -73.6 | 129.4 | 163.5 | 62 | 0 | 0 | 0 | 0 | 110.4 | K397 K402 | K397-S400 PolarHBondContact O-N 3.47Å; K397-S400 PolarHBondContact O-OG 2.73Å; S400-K402 PolarHBondContact O-N 2.95Å | ||
| 401 | D | 44.1 | Very low | 64.6 | Low | 114 Ų | 114 | 90.4 Ų | 90.4 | 61% | 0.61 | 49% | 0.485 | S | S | * | . | trans | -66.3 | 95.9 | -176.8 | -96.5 | -47.5 | 0 | 0 | 0 | 112.1 | F403 S404 | D401-F403 PolarHBondContact O-N 3.42Å; D401-F403 VanDerWaalsContact O-N 3.16Å; D401-S404 PolarHBondContact O-N 3.32Å | ||
| 402 | K | 51.9 | Low | 64.8 | Low | 139 Ų | 139 | 90.2 Ų | 90.2 | 60% | 0.604 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -58.1 | -20.1 | 162.6 | -71.2 | 179.7 | 177 | 174.3 | 0 | 111.6 | E396 S400 S404 | E396-K402 VanDerWaalsContact OE1-CE 3.29Å; E396-K402 WeakPolarHBondContact OE1-CE 3.29Å; E396-K402 IonicContact OE1-NZ 2.83Å; E396-K402 PolarHBondContact OE1-NZ 3.49Å; E396-K402 IonicContact OE2-NZ 3.51Å; S400-K402 PolarHBondContact O-N 2.95Å; K402-S404 VanDerWaalsContact C-N 3.32Å |
| 403 | F | 48.9 | Very low | 65.3 | Low | 195 Ų | 195 | 96 Ų | 96 | 86% | 0.855 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -74.1 | -11.9 | 171.8 | -59.2 | -71.5 | 0 | 0 | 0 | 114.8 | D401 | D401-F403 PolarHBondContact O-N 3.42Å; D401-F403 VanDerWaalsContact O-N 3.16Å |
| 404 | S | 78.3 | Confident | 65.6 | Low | 48 Ų | 48 | 102.7 Ų | 102.7 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -97.1 | 5 | 178.8 | -161 | 0 | 0 | 0 | 0 | 113.5 | S35 G36 D401 K402 | S35-S404 CarbonylContact C-O 3.5Å; G36-S404 PolarHBondContact N-O 3.04Å; D401-S404 PolarHBondContact O-N 3.32Å; K402-S404 VanDerWaalsContact C-N 3.32Å |
| 405 | M | 87.6 | Confident | 65.7 | Low | 76 Ų | 76 | 103.4 Ų | 103.4 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.4 | 178.7 | -164.7 | 178.2 | -58.7 | 0 | 0 | 110.8 | Q33 G407 W408 | Q33-M405 HydrophobicContact CG-CE 4.23Å; Q33-M405 HydrophobicContact CG-SD 4.21Å; M405-G407 WeakPolarHBondContact CG-O 3.48Å; M405-W408 HydrophobicContact SD-CB 3.92Å |
| 406 | V | 92.7 | Very high | 65.5 | Low | 38 Ų | 38 | 101.8 Ų | 101.8 | 23% | 0.23 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 2.7 | -175.5 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | C34 S35 E39 G358 K386 | C34-V406 HydrophobicContact CB-CG2 4.11Å; C34-V406 PolarHBondContact O-N 3.3Å; S35-V406 WeakPolarHBondContact O-CG2 3.49Å; E39-V406 HydrophobicContact CB-CG2 3.87Å; E39-V406 WeakPolarHBondContact OE2-CB 3.42Å; E39-V406 WeakPolarHBondContact OE2-CG1 3.39Å; E39-V406 WeakPolarHBondContact OE2-CG2 3.24Å; G358-V406 WeakPolarHBondContact CA-O 3.22Å; K386-V406 PolarHBondContact NZ-O 2.9Å |
| 407 | G | 93.6 | Very high | 65.2 | Low | 0 Ų | 0 | 106.7 Ų | 106.7 | 0% | 0 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 150.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C34 L357 M405 | C34-G407 PolarHBondContact N-O 3.04Å; C34-G407 PolarHBondContact O-N 3.18Å; L357-G407 CarbonylContact O-C 3.59Å; L357-G407 WeakPolarHBondContact O-CA 3.45Å; M405-G407 WeakPolarHBondContact CG-O 3.48Å |
| 408 | W | 95 | Very high | 65 | Low | 125 Ų | 125 | 106.5 Ų | 106.5 | 47% | 0.473 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.6 | -178.8 | 65.9 | 94.1 | 0 | 0 | 0 | 111.7 | Y32 L357 M405 | Y32-W408 CarbonylContact O-C 3.56Å; L357-W408 HydrophobicContact CB-CD2 4.45Å; L357-W408 HydrophobicContact CB-CZ2 4.1Å; L357-W408 HydrophobicContact CD1-CZ2 4.21Å; L357-W408 PolarHBondContact N-O 3.03Å; L357-W408 PolarHBondContact O-N 2.89Å; M405-W408 HydrophobicContact SD-CB 3.92Å |
| 409 | A | 94.7 | Very high | 64.9 | Low | 12 Ų | 12 | 103 Ų | 103 | 10% | 0.099 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 144.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L29 Y32 T354 V355 L356 | L29-A409 WeakPolarHBondContact O-CB 3.42Å; Y32-A409 WeakPolarHBondContact O-CB 3.42Å; Y32-A409 PolarHBondContact O-N 3.44Å; T354-A409 HydrophobicContact CG2-CB 4.02Å; V355-A409 CarbonylContact O-C 3.56Å; V355-A409 VanDerWaalsContact O-CA 3.25Å; V355-A409 WeakPolarHBondContact O-CA 3.24Å; L356-A409 HydrophobicContact CD2-CB 3.73Å |
| 410 | S | 92.3 | Very high | 64.5 | Low | 50 Ų | 50 | 107.2 Ų | 107.2 | 35% | 0.35 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 147.4 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | T354 V355 | T354-S410 CarbonylContact C-O 3.5Å; T354-S410 WeakPolarHBondContact CA-O 3.45Å; T354-S410 WeakPolarHBondContact CG2-O 3.49Å; V355-S410 PolarHBondContact N-O 2.91Å; V355-S410 PolarHBondContact O-N 3.33Å |
| 411 | Q | 89.6 | Confident | 63.9 | Low | 56 Ų | 56 | 109.8 Ų | 109.8 | 26% | 0.262 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.6 | 169.5 | -71.1 | -56.3 | -48.3 | 0 | 0 | 110 | Q26 T30 T354 K413 | Q26-Q411 PolarHBondContact O-NE2 3.35Å; T30-Q411 HydrophobicContact CG2-CG 3.94Å; T354-Q411 PolarHBondContact OG1-NE2 3.03Å; Q411-K413 PolarHBondContact O-N 3.26Å |
| 412 | K | 85.5 | Confident | 63.2 | Low | 74 Ų | 74 | 110.3 Ų | 110.3 | 32% | 0.322 | 57% | 0.567 | S | S | . | * | trans | -64.5 | 112.1 | 171.5 | -162.8 | 163.4 | -163.4 | 150.2 | 0 | 108.4 | G313 Y342 P352 P353 V355 K414 | G313-K412 PolarHBondContact O-NZ 2.82Å; Y342-K412 HydrophobicContact CE1-CD 3.98Å; Y342-K412 PolarHBondContact OH-NZ 3.3Å; P352-K412 HydrophobicContact CB-CB 4.26Å; P352-K412 WeakPolarHBondContact CB-O 3.48Å; P353-K412 HydrophobicContact CG-CB 4.3Å; P353-K412 HydrophobicContact CG-CD 4.26Å; P353-K412 WeakPolarHBondContact O-CB 3.3Å; P353-K412 PolarHBondContact O-N 3.01Å; V355-K412 HydrophobicContact CG2-CB 3.72Å; V355-K412 HydrophobicContact CG2-CD 4.4Å; V355-K412 HydrophobicContact CG2-CG 4.25Å; K412-K414 PolarHBondContact O-N 3.27Å | ||
| 413 | K | 77.5 | Confident | 62.2 | Low | 192 Ų | 192 | 109.5 Ų | 109.5 | 84% | 0.835 | 57% | 0.573 | S | S | * | * | trans | -60.4 | 126 | 175 | -70.1 | -178.9 | -179.3 | 176.1 | 0 | 108.1 | Q411 E415 | Q411-K413 PolarHBondContact O-N 3.26Å; K413-E415 PolarHBondContact O-N 2.66Å | ||
| 414 | K | 61 | Low | 61.3 | Low | 178 Ų | 178 | 106.1 Ų | 106.1 | 77% | 0.774 | 57% | 0.569 | S | S | * | * | trans | -65.8 | 120.5 | 174.3 | -177.8 | 175.5 | -177.7 | 175 | 0 | 108.2 | K412 S416 | K412-K414 PolarHBondContact O-N 3.27Å; K414-S416 PolarHBondContact O-N 2.85Å | ||
| 415 | E | 46.2 | Very low | 59 | Low | 185 Ų | 185 | 109.4 Ų | 109.4 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -63.4 | 102.2 | 173.9 | -69 | -171.2 | 149.7 | 0 | 0 | 110.1 | K413 R417 | K413-E415 PolarHBondContact O-N 2.66Å; E415-R417 PolarHBondContact O-N 3.12Å | ||
| 416 | S | 35.4 | Very low | 56.3 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 75% | 0.748 | 61% | 0.613 | S | S | * | * | trans | -69.9 | 107.4 | 159.7 | 52.6 | 0 | 0 | 0 | 0 | 107.8 | K414 | K414-S416 PolarHBondContact O-N 2.85Š| ||
| 417 | R | 32 | Very low | 53.4 | Low | 232 Ų | 232 | 118.9 Ų | 118.9 | 88% | 0.875 | 65% | 0.645 | S | S | * | * | trans | -46.4 | 133.3 | 158 | -71.1 | -178.5 | 175.3 | 178.7 | -2.5 | 107.8 | E415 G419 | E415-R417 PolarHBondContact O-N 3.12Å; R417-G419 PolarHBondContact O-N 3.21Å | ||
| 418 | P | 33.9 | Very low | 50.3 | Low | 132 Ų | 132 | 124.5 Ų | 124.5 | 86% | 0.857 | 69% | 0.685 | S | S | * | * | trans | -51.8 | 113.8 | 177.4 | -28.4 | 35.9 | 0 | 0 | 0 | 110.1 | ||||
| 419 | G | 33.1 | Very low | 47 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -66.3 | 136.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110 | R417 V421 | R417-G419 PolarHBondContact O-N 3.21Å; G419-V421 PolarHBondContact O-N 3.27Å | ||
| 420 | L | 37.2 | Very low | 44.6 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -52.9 | 124.4 | 169.8 | -178.9 | 66.5 | 0 | 0 | 0 | 108.6 | T422 | L420-T422 PolarHBondContact O-N 3.46Š| ||
| 421 | V | 30.8 | Very low | 41.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -68.7 | 102.9 | -174.2 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | G419 V423 | G419-V421 PolarHBondContact O-N 3.27Å; V421-V423 VanDerWaalsContact C-N 3.3Å; V421-V423 HydrophobicContact CG1-CG2 3.96Å; V421-V423 PolarHBondContact O-N 3.5Å | ||
| 422 | T | 30.2 | Very low | 38.7 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -72.9 | 84 | 173.9 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | L420 T424 | L420-T422 PolarHBondContact O-N 3.46Å; T422-T424 PolarHBondContact O-N 3.17Å; T422-T424 VanDerWaalsContact O-N 3.16Å | ||
| 423 | V | 30.7 | Very low | 36.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | trans | -68.4 | 108.9 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | V421 S425 | V421-V423 VanDerWaalsContact C-N 3.3Å; V421-V423 HydrophobicContact CG1-CG2 3.96Å; V421-V423 PolarHBondContact O-N 3.5Å; V423-S425 PolarHBondContact O-N 2.8Å | ||
| 424 | T | 30.3 | Very low | 34.1 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 122.5 | 173.4 | 47.4 | 0 | 0 | 0 | 0 | 110.4 | T422 | T422-T424 PolarHBondContact O-N 3.17Å; T422-T424 VanDerWaalsContact O-N 3.16Å | ||
| 425 | S | 29.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -78.1 | 128.4 | -177.8 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | V423 | V423-S425 PolarHBondContact O-N 2.8Š| ||
| 426 | S | 31.5 | Very low | 31.5 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -115.7 | 131.5 | 159.4 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 427 | Q | 31.6 | Very low | 31.1 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 133.8 | -177 | -66.1 | -175.5 | 0.8 | 0 | 0 | 112.4 | ||||
| 428 | S | 29.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -158.3 | 130.7 | 151.9 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 429 | T | 25.4 | Very low | 30.6 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -127.5 | 171.4 | 172.6 | 38.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 430 | P | 44.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -133 | 174 | 6.5 | 42.1 | -27.2 | 0 | 0 | 0 | 115.6 | ||||
| 431 | A | 28.4 | Very low | 30.2 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -174.5 | 134.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 432 | K | 29.3 | Very low | 30.1 | Very low | 211 Ų | 211 | 137.2 Ų | 137.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 37.4 | 123.1 | 155 | -68.2 | 179.7 | 176.7 | 175.5 | 0 | 121.5 | ||||
| 433 | A | 30.6 | Very low | 30 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -92.6 | 163.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 434 | P | 35.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -136.5 | 124.1 | 108.9 | 35.8 | -24 | 0 | 0 | 0 | 112.6 | |||||
| 435 | R | 26.4 | Very low | 30.7 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | 92 | 102.5 | 87.7 | -80.1 | -167.8 | 173.6 | -163.2 | -0.6 | 116.4 | |||||
| 436 | V | 27.5 | Very low | 30.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 75% | 0.745 | 81% | 0.806 | S | S | * | * | 69.9 | 101.3 | 126.3 | 178.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 437 | K | 27 | Very low | 31.2 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | 173.2 | 145.2 | 115.8 | -92.4 | -178.6 | -170.9 | -179.6 | 0 | 109.5 | |||||
| 438 | C | 27.6 | Very low | 31 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -159 | 144.6 | -18.9 | -131.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 439 | N | 27.7 | Very low | 31 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | 56.2 | 140.3 | 157.4 | -58.9 | 12.2 | 0 | 0 | 0 | 120.4 | ||||
| 440 | A | 28.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -125.2 | 157 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 441 | S | 32.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -151.6 | 115.6 | 153.4 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 442 | I | 29.3 | Very low | 30.8 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -63.8 | 150.5 | 153.4 | -67.1 | 160.3 | 0 | 0 | 0 | 106.9 | ||||
| 443 | S | 28.1 | Very low | 30.8 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | cis | -155.3 | 161.8 | 21.2 | 23.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 444 | S | 37.9 | Very low | 30.8 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | 54.1 | 138.3 | 146 | -55.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 445 | P | 36.1 | Very low | 30.5 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | -137.7 | 173.3 | 105.5 | 38.6 | -29.1 | 0 | 0 | 0 | 115.2 | |||||
| 446 | S | 32.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -86.2 | 152.6 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 447 | S | 39.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 88% | 0.881 | 82% | 0.82 | S | S | * | * | trans | 30 | 111.3 | 147.5 | -56.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 448 | A | 27.6 | Very low | 30.6 | Very low | 108 Ų | 108 | 120 Ų | 120 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -131.1 | 146.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 449 | A | 29.3 | Very low | 31 | Very low | 96 Ų | 96 | 121 Ų | 121 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | trans | -107.8 | 145.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 450 | C | 29.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -158.4 | 149.1 | 156.8 | -97.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 451 | A | 29.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 153 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 452 | P | 34.4 | Very low | 31.1 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.3 | 173.1 | 31.2 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 453 | S | 28.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 137.3 | 173 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 454 | C | 31.5 | Very low | 31.5 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -144.6 | 134.7 | 161.9 | -84.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 455 | A | 27.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -115.1 | 146.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 456 | G | 28.3 | Very low | 31.1 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -173 | 58.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 457 | D | 27.1 | Very low | 30.8 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 45.1 | 128.1 | 151.1 | -79 | -39.9 | 0 | 0 | 0 | 124.4 | ||||
| 458 | L | 28.1 | Very low | 30.3 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 73.6 | 152.3 | 145.4 | -62.5 | 169.7 | 0 | 0 | 0 | 120.8 | ||||
| 459 | P | 37.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | cis | -124.9 | 170.3 | -21.1 | 36.3 | -20.7 | 0 | 0 | 0 | 114.3 | ||||
| 460 | L | 31.2 | Very low | 30.4 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -104 | 151.4 | 179 | -72.3 | 166.2 | 0 | 0 | 0 | 113.2 | ||
| 461 | P | 30.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 161.1 | 152.7 | 35.1 | -30.5 | 0 | 0 | 0 | 112.3 | ||
| 462 | S | 28.7 | Very low | 30.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 148 | -160.4 | 57.3 | 0 | 0 | 0 | 0 | 117.7 | ||
| 463 | N | 31.4 | Very low | 30.8 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | 27.5 | 143.5 | 123.2 | -56.8 | -14.7 | 0 | 0 | 0 | 119.4 | |||||
| 464 | T | 33.4 | Very low | 31 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | cis | -174.7 | -167.2 | 4.7 | 18.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 465 | P | 39.2 | Very low | 30.9 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | cis | -131.6 | 165.1 | -43.6 | 34.7 | -19.4 | 0 | 0 | 0 | 113.9 | ||||
| 466 | T | 27.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -148 | 143.2 | 143.5 | -27.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 467 | F | 27.1 | Very low | 31.1 | Very low | 187 Ų | 187 | 142 Ų | 142 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 172.1 | 173.6 | -73.5 | -105.3 | 0 | 0 | 0 | 111.9 | ||||
| 468 | S | 27.3 | Very low | 31.3 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 57% | 0.566 | 80% | 0.795 | S | S | * | * | cis | -179.9 | 170.4 | -35 | 68.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 469 | I | 31.1 | Very low | 32.2 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 68.2 | 103.6 | 162 | -62.4 | 167.4 | 0 | 0 | 0 | 114.9 | ||||
| 470 | K | 28.6 | Very low | 31.8 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | 78.5 | 117 | 72.2 | -78.6 | -177.2 | 175.3 | -179.9 | 0 | 115.8 | |||||
| 471 | T | 28.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -150.2 | 159.6 | 151.6 | 22.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 472 | P | 38.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -121 | -151.5 | -148 | 49.1 | -36.2 | 0 | 0 | 0 | 113.4 | ||||
| 473 | P | 35.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -114.4 | 171.1 | -126.7 | 16.8 | 9.8 | 0 | 0 | 0 | 115.2 | |||||
| 474 | A | 33.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -72.7 | 157 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 475 | K | 29.9 | Very low | 31.5 | Very low | 212 Ų | 212 | 148.7 Ų | 148.7 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | trans | -120 | 145 | 157.9 | -77.6 | -175.8 | 176.2 | 178 | 0 | 109.2 | ||||
| 476 | A | 30 | Very low | 31.1 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -112.3 | 148.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 477 | R | 29.1 | Very low | 31.3 | Very low | 251 Ų | 251 | 148 Ų | 148 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -178.3 | 132.3 | 141 | -102 | 162.5 | -170.9 | -161 | 1.6 | 112.1 | ||||
| 478 | S | 31.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -98.6 | -175.3 | 151.6 | 59.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 479 | P | 47.7 | Very low | 31.6 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | cis | -146.5 | -161.4 | 13 | 43.3 | -21.5 | 0 | 0 | 0 | 116.7 | ||||
| 480 | L | 28.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | 101.2 | 149.3 | 148.1 | -123.4 | 75.8 | 0 | 0 | 0 | 120.7 | ||||
| 481 | N | 31.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -104.5 | 152.4 | -173.4 | -70.2 | -52.4 | 0 | 0 | 0 | 113.2 | ||||
| 482 | R | 29.1 | Very low | 32.6 | Very low | 253 Ų | 253 | 144.1 Ų | 144.1 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | trans | -160.4 | 176.6 | 139.4 | -115.2 | 174.7 | -174.9 | -141.7 | 0.9 | 114.1 | ||||
| 483 | R | 29.5 | Very low | 33.3 | Very low | 252 Ų | 252 | 144 Ų | 144 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | trans | -104.4 | 160.1 | -154.5 | -54.1 | 173.4 | 177.6 | 178 | -2.8 | 115.5 | ||||
| 484 | G | 27.6 | Very low | 33.7 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 145.6 | 113.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 485 | S | 30.5 | Very low | 33.6 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | 67 | 128 | 54.2 | -137.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 486 | V | 30.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | cis | -152.4 | 140.4 | 34.2 | 169.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 487 | S | 32.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 62.3 | 160.1 | 159.9 | 83.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 488 | S | 30.5 | Very low | 33.9 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -153.6 | -177.8 | 3.4 | 57.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 489 | V | 29.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | cis | -133.6 | -142.4 | 0.9 | -154.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 490 | S | 31.8 | Very low | 33 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -160.9 | 174.8 | 172.7 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 491 | P | 46.2 | Very low | 33.2 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -153.2 | 133.9 | 81.3 | 37.2 | -16 | 0 | 0 | 0 | 119.6 | |||||
| 492 | K | 32.6 | Very low | 33 | Very low | 203 Ų | 203 | 145.3 Ų | 145.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 48 | 147 | 138.8 | -65.7 | -173.8 | 176.8 | 180 | 0 | 125.6 | ||||
| 493 | P | 52.8 | Low | 33 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -112.9 | -176.7 | 172.2 | 45.1 | -36.8 | 0 | 0 | 0 | 114.4 | ||||
| 494 | P | 42.6 | Very low | 32.9 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -130.4 | -166.1 | 138.4 | 26.8 | -8.5 | 0 | 0 | 0 | 114.1 | ||||
| 495 | S | 31.7 | Very low | 32.9 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -148.3 | 151.1 | -161.1 | 59.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 496 | S | 35.1 | Very low | 32.8 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 40.1 | 120.4 | 147.6 | 64.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 497 | F | 30 | Very low | 32.6 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -157.6 | 150.1 | 146.8 | -84.3 | -81.3 | 0 | 0 | 0 | 108.2 | ||||
| 498 | K | 30.7 | Very low | 32.4 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | 96.2 | 133 | 2.4 | -151 | -162.9 | -178.4 | -175.2 | 0 | 117.2 | ||||
| 499 | M | 29.8 | Very low | 32.9 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | 73.8 | 157.8 | 173.3 | -66.2 | -73 | 89 | 0 | 0 | 116.6 | ||||
| 500 | S | 29.6 | Very low | 32.7 | Very low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | cis | -161.1 | 167.9 | -17.2 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 501 | I | 32.4 | Very low | 32.5 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 135.8 | 167 | -64.7 | 164.8 | 0 | 0 | 0 | 111.3 | ||||
| 502 | R | 26.7 | Very low | 31.8 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | 172.8 | 148.1 | 129.6 | -104 | -173.9 | 177.1 | 169.7 | -0.3 | 116.1 | |||||
| 503 | N | 29.3 | Very low | 33 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | 65.6 | 155.6 | 161.8 | -48.2 | -8.8 | 0 | 0 | 0 | 116.3 | ||||
| 504 | W | 27.3 | Very low | 32.6 | Very low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | cis | -128.5 | 156.4 | 3.7 | -69.4 | 66.5 | 0 | 0 | 0 | 109.3 | ||||
| 505 | V | 29.1 | Very low | 32.1 | Very low | 102 Ų | 102 | 141 Ų | 141 | 62% | 0.618 | 76% | 0.76 | S | S | * | * | cis | 97.2 | 101.3 | 20.2 | -178.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 506 | T | 27.8 | Very low | 32.1 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | 56.6 | 125.3 | 157.7 | 58.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 507 | R | 26.5 | Very low | 32.5 | Very low | 249 Ų | 249 | 142.8 Ų | 142.8 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | -171.8 | 150.4 | 104.5 | -102.6 | -178.5 | 177.3 | -151.1 | -1.6 | 113.1 | |||||
| 508 | T | 29.1 | Very low | 33.6 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -121.5 | 163.9 | 162.6 | 57.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 509 | P | 39.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | -153.6 | 173.6 | 85.9 | 40.2 | -20.7 | 0 | 0 | 0 | 117 | |||||
| 510 | S | 27.1 | Very low | 33.7 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 43.5 | 134.5 | 148.9 | 59.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 511 | S | 27.5 | Very low | 33.7 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | -164.1 | -177.8 | 59.2 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 512 | S | 30.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -170 | -179.1 | -179.4 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 513 | P | 58 | Low | 33.7 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | cis | -116.1 | -160.9 | -30.4 | 39.6 | -22.2 | 0 | 0 | 0 | 111 | I515 | P513-I515 HydrophobicContact CG-CD1 4.21Š| ||
| 514 | P | 44.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -131.6 | 165 | 75.1 | 12.2 | 13.6 | 0 | 0 | 0 | 113.1 | |||||
| 515 | I | 32.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | 75.3 | 131.9 | 46.8 | -55.9 | 166.1 | 0 | 0 | 0 | 111.3 | P513 | P513-I515 HydrophobicContact CG-CD1 4.21Š| ||
| 516 | T | 31.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -142.1 | 174.4 | 21.6 | -1.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 517 | P | 42.7 | Very low | 34 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -110.6 | -148.3 | 174.1 | 46 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 518 | P | 53.8 | Low | 34.1 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -135.2 | 174 | -18.5 | 42.3 | -26 | 0 | 0 | 0 | 116.1 | ||||
| 519 | A | 30.1 | Very low | 34.2 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 172.6 | 157 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 520 | S | 32.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -165.3 | 162 | -29 | 53.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 521 | E | 30.2 | Very low | 33.7 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -71 | 152.8 | -173 | -51.7 | -174.8 | 134.9 | 0 | 0 | 115.2 | ||||
| 522 | T | 30.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | -161.8 | 150.8 | 127.4 | 2.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 523 | K | 27.9 | Very low | 33.7 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -77.5 | -177.9 | -177.3 | -67 | 163.1 | 171.3 | 161 | 0 | 113.5 | ||||
| 524 | I | 27.4 | Very low | 32.1 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 115.4 | 101.3 | 140 | -83.5 | 155.9 | 0 | 0 | 0 | 119.8 | ||||
| 525 | M | 24.2 | Very low | 31.3 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | 90.9 | 145.2 | 132.5 | -69.7 | -176.7 | 79.3 | 0 | 0 | 124.7 | ||||
| 526 | S | 30.3 | Very low | 31.2 | Very low | 93 Ų | 93 | 144 Ų | 144 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -86.1 | 166.9 | 166.5 | 162.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 527 | P | 37.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -120.3 | 138.3 | 136.6 | 34.6 | -29.3 | 0 | 0 | 0 | 113.3 | ||||
| 528 | R | 29.1 | Very low | 30 | Very low | 237 Ų | 237 | 148.2 Ų | 148.2 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | trans | -76.6 | 153.4 | 158.7 | -67.5 | 175.8 | 173.2 | 174.3 | -3.1 | 109.5 | ||||
| 529 | K | 31 | Very low | 28.7 | Very low | 214 Ų | 214 | 148 Ų | 148 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -138.5 | 138.3 | 145.1 | -95.5 | -174.7 | 176.9 | 178.3 | 0 | 109.7 | ||||
| 530 | A | 26.5 | Very low | 28.5 | Very low | 93 Ų | 93 | 152.6 Ų | 152.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -116.9 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 531 | L | 29.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 82% | 0.817 | 83% | 0.826 | S | S | * | * | trans | -176.9 | 123.3 | 147.1 | -99.3 | 168 | 0 | 0 | 0 | 110.7 | ||||
| 532 | I | 29.3 | Very low | 27.8 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 73% | 0.733 | 83% | 0.83 | S | S | * | * | trans | 50.7 | 128.9 | 147.2 | -59.4 | 173.5 | 0 | 0 | 0 | 120.6 | ||||
| 533 | P | 29.1 | Very low | 27.4 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -85.3 | 155 | 167.7 | 36.2 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 534 | V | 25.2 | Very low | 27.1 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -112 | 128 | 171.8 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 535 | S | 26.3 | Very low | 27 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -79.3 | 133.7 | 171.4 | 81.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 536 | Q | 29.9 | Very low | 27.1 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -119.8 | 134.4 | 165.2 | -71.6 | -169 | -26.5 | 0 | 0 | 110.1 | ||||
| 537 | K | 23.6 | Very low | 27 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 153.9 | 177.4 | -66.5 | 180 | 177.3 | -179.9 | 0 | 110.2 | ||
| 538 | S | 26.1 | Very low | 27.1 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 132.1 | 169.7 | 41.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 539 | S | 26.3 | Very low | 27.8 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 136.5 | 160.6 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 540 | Q | 25.4 | Very low | 28.8 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.3 | 174.5 | -68.1 | 166.3 | -52 | 0 | 0 | 109.7 | ||
| 541 | A | 25.4 | Very low | 30 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 126.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 542 | E | 23.2 | Very low | 31 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.2 | 173.4 | -65.1 | -179.4 | 119.1 | 0 | 0 | 110.9 | C544 | E542-C544 PolarHBondContact O-N 3.04Š|
| 543 | A | 22.6 | Very low | 32 | Very low | 108 Ų | 108 | 132 Ų | 132 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -82.6 | 100.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 544 | C | 22.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -84.7 | 127.5 | 167.9 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | E542 E546 | E542-C544 PolarHBondContact O-N 3.04Å; C544-E546 PolarHBondContact O-N 3.34Å; C544-E546 VanDerWaalsContact O-N 3.11Å | ||
| 545 | S | 25.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | trans | -85.2 | 76.4 | -175 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 546 | E | 25.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | trans | -67.9 | 134.3 | 169 | -68.4 | -168.6 | 143 | 0 | 0 | 111.5 | C544 R548 | C544-E546 PolarHBondContact O-N 3.34Å; C544-E546 VanDerWaalsContact O-N 3.11Å; E546-R548 WeakPolarHBondContact O-CG 3.12Å; E546-R548 PolarHBondContact O-N 3.04Å; E546-R548 VanDerWaalsContact O-N 3.17Å | ||
| 547 | S | 27.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -69.8 | 106.9 | 178.1 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | N549 | S547-N549 PolarHBondContact O-N 3.08Å; S547-N549 VanDerWaalsContact O-N 3.14Å | ||
| 548 | R | 39.4 | Very low | 32.9 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | trans | -79.1 | 94.2 | -167.9 | -58.3 | -174.6 | -172.9 | 177.2 | 2.2 | 113.5 | E546 R550 | E546-R548 WeakPolarHBondContact O-CG 3.12Å; E546-R548 PolarHBondContact O-N 3.04Å; E546-R548 VanDerWaalsContact O-N 3.17Å; R548-R550 PolarHBondContact O-N 3.02Å | ||
| 549 | N | 44.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 78% | 0.781 | 71% | 0.705 | S | S | * | * | trans | -74.7 | 81.6 | 168.1 | -72.6 | -31.3 | 0 | 0 | 0 | 111.3 | S547 | S547-N549 PolarHBondContact O-N 3.08Å; S547-N549 VanDerWaalsContact O-N 3.14Å | ||
| 550 | R | 51.2 | Low | 32.9 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 36% | 0.355 | 71% | 0.709 | S | S | . | * | trans | -65.5 | 130 | 172.9 | -156.2 | -178.1 | -154.6 | 165.5 | 10.7 | 109.7 | E73 R548 K552 | E73-R550 VanDerWaalsContact CA-NH2 3.32Å; E73-R550 PolarHBondContact O-NH2 3.23Å; E73-R550 IonicContact OE1-CZ 2.79Å; E73-R550 VanDerWaalsContact OE1-CZ 3.25Å; E73-R550 IonicContact OE1-NH1 3.02Å; E73-R550 PolarHBondContact OE1-NH1 3.2Å; E73-R550 IonicContact OE1-NH2 3.04Å; E73-R550 PolarHBondContact OE1-NH2 3.25Å; E73-R550 IonicContact OE2-CZ 3.53Å; E73-R550 IonicContact OE2-NH1 2.79Å; E73-R550 PolarHBondContact OE2-NH1 3.25Å; E73-R550 IonicContact OE2-NH2 3.41Å; E73-R550 PolarHBondContact OE2-NH2 2.99Å; R548-R550 PolarHBondContact O-N 3.02Å; R550-K552 PolarHBondContact O-N 3.24Å | ||
| 551 | V | 52.9 | Low | 32.9 | Very low | 62 Ų | 62 | 129.5 Ų | 129.5 | 38% | 0.376 | 71% | 0.71 | S | S | . | * | trans | -93.9 | 87.6 | -174.2 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | N99 | N99-V551 PolarHBondContact OD1-N 3.49Š| ||
| 552 | K | 50.5 | Low | 32.9 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | trans | -68.8 | 154.2 | 168.7 | -67.3 | -162.7 | 173.2 | -160.6 | 0 | 111.8 | E72 R550 R554 | E72-K552 VanDerWaalsContact OE1-CA 3.24Å; E72-K552 WeakPolarHBondContact OE1-CA 3.4Å; R550-K552 PolarHBondContact O-N 3.24Å; K552-R554 PolarHBondContact O-N 3.23Å | ||
| 553 | R | 50.6 | Low | 33 | Very low | 36 Ų | 36 | 127.3 Ų | 127.3 | 14% | 0.136 | 70% | 0.704 | C | S | . | * | trans | -55.7 | 115.8 | 170.5 | 179.4 | 176.5 | 170.5 | 135.1 | 2 | 110.2 | F53 E72 Y320 E362 D381 L555 | F53-R553 HydrophobicContact CZ-CB 4.25Å; E72-R553 PolarHBondContact OE1-N 3.1Å; Y320-R553 HydrophobicContact CE2-CG 4.47Å; E362-R553 IonicContact OE1-CZ 3.19Å; E362-R553 VanDerWaalsContact OE1-CZ 3.23Å; E362-R553 IonicContact OE1-NH1 2.95Å; E362-R553 PolarHBondContact OE1-NH1 3.13Å; E362-R553 IonicContact OE1-NH2 3.98Å; E362-R553 PolarHBondContact OE1-NH2 3.1Å; E362-R553 IonicContact OE2-NH2 3.32Å; D381-R553 IonicContact OD1-NH1 2.67Å; D381-R553 PolarHBondContact OD1-NH1 2.8Å; D381-R553 WeakPolarHBondContact OD2-CD 3.1Å; D381-R553 IonicContact OD2-CZ 2.85Å; D381-R553 IonicContact OD2-NE 3.86Å; D381-R553 PolarHBondContact OD2-NE 3.31Å; D381-R553 IonicContact OD2-NH1 3.01Å; D381-R553 PolarHBondContact OD2-NH1 2.96Å; D381-R553 IonicContact OD2-NH2 3.99Å; R553-L555 HydrophobicContact CG-CG 4.48Å | ||
| 554 | R | 41.3 | Very low | 33.2 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | trans | -81.4 | 113.2 | 162.2 | -76.1 | -167.7 | -179.8 | -179 | -0.7 | 108.8 | K552 D556 | K552-R554 PolarHBondContact O-N 3.23Å; R554-D556 VanDerWaalsContact C-N 3.3Å; R554-D556 PolarHBondContact O-N 2.96Å | ||
| 555 | L | 31 | Very low | 33.3 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | trans | -79 | 82.7 | 164.5 | -74.5 | 162.2 | 0 | 0 | 0 | 107.9 | R553 S557 | R553-L555 HydrophobicContact CG-CG 4.48Å; L555-S557 PolarHBondContact O-N 3.43Å | ||
| 556 | D | 26.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | trans | -78.1 | 58.8 | 176.5 | -68.1 | -34.8 | 0 | 0 | 0 | 110.5 | R554 | R554-D556 VanDerWaalsContact C-N 3.3Å; R554-D556 PolarHBondContact O-N 2.96Å | ||
| 557 | S | 27.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -85.5 | 115.4 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | L555 | L555-S557 PolarHBondContact O-N 3.43Š| ||
| 558 | S | 26 | Very low | 33.1 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -77 | 127.1 | -178.7 | 58.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 559 | C | 26.2 | Very low | 32.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | 68.2 | 112 | 172.9 | -58.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 560 | L | 26.6 | Very low | 31.7 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | -67.7 | 147.3 | 152.7 | -73.3 | 84.1 | 0 | 0 | 0 | 109.3 | ||||
| 561 | E | 24.5 | Very low | 30.5 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | trans | -123.3 | 142.6 | 148.6 | -167.9 | 159.2 | -137.1 | 0 | 0 | 108.9 | ||||
| 562 | S | 25.2 | Very low | 29.2 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -101.8 | 128.7 | -157 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 563 | V | 25.9 | Very low | 28.1 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | -105.4 | 132.8 | 162.7 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 564 | K | 26.1 | Very low | 26.9 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -79.1 | 124.9 | -164.7 | -61.6 | 163.2 | -177.4 | 168.3 | 0 | 112 | ||||
| 565 | Q | 25.4 | Very low | 26.3 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -106.9 | 130.7 | 155.8 | -157.7 | 163.7 | 8.5 | 0 | 0 | 109.1 | C567 | Q565-C567 PolarHBondContact O-N 3.31Š| ||
| 566 | K | 23.9 | Very low | 26.1 | Very low | 203 Ų | 203 | 145.7 Ų | 145.7 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -75 | 117.4 | -171.6 | -70.1 | 178.3 | 178.4 | 176.1 | 0 | 110.8 | ||||
| 567 | C | 23.3 | Very low | 26.1 | Very low | 121 Ų | 121 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -85.8 | 133.4 | 164.8 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | Q565 | Q565-C567 PolarHBondContact O-N 3.31Š| ||
| 568 | V | 25.7 | Very low | 26.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -106 | 116 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 569 | K | 28.6 | Very low | 26.1 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 83% | 0.828 | S | S | * | * | trans | -62.8 | 155.2 | 168 | -66.9 | 180 | -179.1 | -178.1 | 0 | 109.7 | ||||
| 570 | S | 27.7 | Very low | 26.1 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 83% | 0.826 | S | S | * | * | cis | 178.2 | 166.9 | -4.1 | 44.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 571 | C | 25.7 | Very low | 26.2 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | -169.5 | 155.8 | 129.1 | -99.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 572 | N | 25.5 | Very low | 26.4 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -105.5 | 152.7 | 172.2 | -58.9 | -26.3 | 0 | 0 | 0 | 109.5 | ||||
| 573 | C | 26.1 | Very low | 26.4 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | -166.3 | 159 | 127.2 | 44 | 0 | 0 | 0 | 0 | 111 | |||||
| 574 | V | 26.5 | Very low | 26.5 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 128.9 | 174.9 | 172.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 575 | T | 29.1 | Very low | 26.4 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 175 | 122.7 | 141.1 | 22.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 576 | E | 26.8 | Very low | 26.7 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | 67.8 | 148.3 | 130 | -68.2 | -173.1 | 154.9 | 0 | 0 | 125.5 | ||||
| 577 | L | 26.7 | Very low | 26.8 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 75.3 | 95.7 | 153.8 | -71.1 | 161.8 | 0 | 0 | 0 | 121.4 | ||||
| 578 | D | 26.9 | Very low | 27 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | 58.6 | 142.2 | 113.2 | -140.2 | -7.8 | 0 | 0 | 0 | 121.5 | |||||
| 579 | G | 25.7 | Very low | 27 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 156.3 | 112.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 580 | Q | 26.3 | Very low | 26.9 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -96 | 145.2 | -175.9 | -90.8 | -167.9 | 5.3 | 0 | 0 | 113.7 | ||||
| 581 | V | 28 | Very low | 27 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 71 | 133.6 | 137.8 | 172.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 582 | E | 28.5 | Very low | 27 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | cis | -139.2 | 160.8 | 40 | -82.4 | -157.4 | 160.4 | 0 | 0 | 116 | ||||
| 583 | N | 26.2 | Very low | 27 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 65% | 0.647 | 78% | 0.777 | S | S | * | * | trans | 31.2 | 132.8 | 134.1 | -46.6 | -38.1 | 0 | 0 | 0 | 119.6 | ||||
| 584 | L | 27 | Very low | 27 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | -150.4 | 164.7 | 52.2 | -88.1 | 168 | 0 | 0 | 0 | 114.6 | |||||
| 585 | H | 24.8 | Very low | 27 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -91.2 | 130.9 | -173.1 | -152.6 | -76.3 | 0 | 0 | 0 | 111.5 | ||||
| 586 | L | 31.8 | Very low | 27 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -79.3 | 142.6 | 154.8 | -76.8 | 89.3 | 0 | 0 | 0 | 108.3 | ||||
| 587 | D | 26.4 | Very low | 27 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | -169.2 | 155.3 | 126.4 | -116.4 | -14.1 | 0 | 0 | 0 | 117.7 | |||||
| 588 | L | 26.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 71% | 0.707 | 77% | 0.767 | S | S | * | * | trans | 40 | 106.9 | 147.7 | -98.3 | 54 | 0 | 0 | 0 | 123.5 | ||||
| 589 | C | 26.2 | Very low | 27.2 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | 69.6 | 160.5 | 107.4 | -68.2 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 590 | C | 26 | Very low | 27.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 96.2 | 95.6 | 152.3 | -69.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 591 | L | 29.5 | Very low | 27.4 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | 70.5 | 130.8 | 118.1 | -70.8 | 169.5 | 0 | 0 | 0 | 123.8 | |||||
| 592 | A | 26.2 | Very low | 27.4 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 75% | 0.752 | S | S | * | * | trans | 80.6 | 143.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 593 | G | 25.5 | Very low | 27.4 | Very low | 66 Ų | 66 | 136.1 Ų | 136.1 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 148.2 | 98.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 594 | N | 26.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 47.2 | 123.3 | 145.3 | -55.4 | 0.9 | 0 | 0 | 0 | 120.5 | ||||
| 595 | Q | 27.2 | Very low | 28.7 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | 95.3 | 153.4 | 66.2 | -160.7 | 179.7 | -10.6 | 0 | 0 | 112.1 | |||||
| 596 | E | 29.4 | Very low | 28.8 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | 73.4 | 140.7 | 176.4 | -69.2 | 176.9 | -158.9 | 0 | 0 | 116.9 | ||||
| 597 | D | 26.7 | Very low | 28.9 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -161 | 177.9 | -24.4 | -152.3 | -8.7 | 0 | 0 | 0 | 111.2 | ||||
| 598 | L | 29.3 | Very low | 29.1 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | 65 | 123.5 | 151.5 | -73.2 | 165.6 | 0 | 0 | 0 | 121.8 | ||||
| 599 | S | 28.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 159.1 | 132.8 | 76.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 600 | K | 29.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -171.9 | 151.1 | -39 | -158.9 | 176.2 | 166.5 | -90.2 | 0 | 108.1 | ||||
| 601 | D | 26.2 | Very low | 30.1 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | trans | 59.7 | 175.6 | 165.9 | -56.6 | -36.4 | 0 | 0 | 0 | 116.7 | ||||
| 602 | S | 28.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | -160.1 | 163.2 | -57.4 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 603 | L | 27.4 | Very low | 30.5 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | 68.6 | 151.2 | 158.6 | -64.3 | 160.5 | 0 | 0 | 0 | 120.1 | ||||
| 604 | G | 26.8 | Very low | 30.9 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -99.6 | -132 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 605 | P | 53 | Low | 31.1 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | cis | -138.1 | -173 | -9.9 | 43.9 | -27.8 | 0 | 0 | 0 | 113.6 | ||||
| 606 | T | 27.7 | Very low | 31.3 | Very low | 119 Ų | 119 | 127 Ų | 127 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | -176.9 | 126.3 | 137.8 | 26 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 607 | K | 32.9 | Very low | 31.3 | Very low | 196 Ų | 196 | 123.4 Ų | 123.4 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | 58.8 | 137.2 | 102 | -60.3 | -179.4 | -174.5 | 175.7 | 0 | 116.2 | |||||
| 608 | S | 31.7 | Very low | 31.5 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | cis | -159.9 | -168.7 | -14 | 55.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 609 | S | 32.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | cis | -152.4 | 161.8 | 23.1 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 610 | K | 34.7 | Very low | 31.3 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | 65.4 | 128 | 66.8 | -123.1 | -175.8 | -175.3 | -87.8 | 0 | 113.8 | E612 | K610-E612 IonicContact NZ-OE1 2.73Å; K610-E612 PolarHBondContact NZ-OE1 2.94Å | |||
| 611 | I | 33.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -145.1 | 161.1 | 46.5 | -83 | 173.9 | 0 | 0 | 0 | 115.4 | ||||
| 612 | E | 33.1 | Very low | 33.8 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -25.8 | 161.8 | 172.8 | -62.5 | 102.9 | -123 | 0 | 0 | 120.1 | K610 | K610-E612 IonicContact NZ-OE1 2.73Å; K610-E612 PolarHBondContact NZ-OE1 2.94Å | ||
| 613 | G | 31.4 | Very low | 34.2 | Very low | 75 Ų | 75 | 124.6 Ų | 124.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | 173.3 | -163.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 614 | A | 33.9 | Very low | 35.3 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | cis | -170.5 | 168.4 | -19.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 615 | G | 29.3 | Very low | 35.3 | Very low | 60 Ų | 60 | 125.8 Ų | 125.8 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | cis | 178.2 | -175.5 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 616 | T | 31 | Very low | 34.4 | Very low | 147 Ų | 147 | 124.5 Ų | 124.5 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 65.1 | 143.6 | 168.5 | 53.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 617 | S | 29.8 | Very low | 35.5 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | cis | -177.5 | 154.6 | -15.7 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 618 | I | 30.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 90.3 | 132.4 | 144.4 | -73.9 | 156.3 | 0 | 0 | 0 | 123.7 | ||||
| 619 | S | 26.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 140.8 | 152 | 62.2 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 620 | E | 28.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 124.2 Ų | 124.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -90.2 | -163.5 | 160.7 | -39.1 | 166.4 | 96.9 | 0 | 0 | 110.4 | ||||
| 621 | P | 55.1 | Low | 35.5 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -119.5 | -127.2 | -26.1 | 32.5 | -9.5 | 0 | 0 | 0 | 107.9 | ||||
| 622 | P | 51.8 | Low | 35.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | cis | -124.4 | -153.5 | -35.4 | 40.3 | -22 | 0 | 0 | 0 | 112.8 | ||||
| 623 | S | 38.2 | Very low | 35.1 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -147.4 | 154.6 | 177.3 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 624 | P | 49.6 | Very low | 34.8 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -134.7 | 166.2 | 153.9 | 39.5 | -26.8 | 0 | 0 | 0 | 113.4 | ||||
| 625 | V | 28.3 | Very low | 34.5 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -162.6 | 162.4 | -20.1 | 135.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 626 | S | 33.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -83.9 | -177.6 | -177.4 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 627 | P | 52.3 | Low | 35.2 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | -143.4 | 144.9 | 97.5 | 32.7 | -15.5 | 0 | 0 | 0 | 117.1 | |||||
| 628 | Y | 34.5 | Very low | 35.2 | Very low | 220 Ų | 220 | 129.6 Ų | 129.6 | 86% | 0.863 | 78% | 0.782 | S | S | * | * | trans | 36.4 | 154 | 141.8 | -65.8 | -98.7 | 0 | 0 | 0 | 122.1 | ||||
| 629 | A | 32 | Very low | 36.7 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | cis | 176.9 | 163.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 630 | S | 33.2 | Very low | 36.7 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -167.1 | -160.9 | -12.5 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 631 | E | 29.8 | Very low | 36.8 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 119.8 | 170.6 | -53.2 | -174.3 | 178.5 | 0 | 0 | 117.7 | ||||
| 632 | S | 31.4 | Very low | 36.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | 88.1 | 140.1 | 25.6 | 82.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 633 | C | 26.6 | Very low | 35.2 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | cis | -169.7 | 156.3 | -24.4 | -167 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 634 | G | 26.8 | Very low | 34.8 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 83.7 | 175.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 635 | T | 27.8 | Very low | 33.8 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | cis | -169.8 | 156.2 | -28.4 | -82.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 636 | L | 35.2 | Very low | 33.8 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -71.2 | 164.1 | 179.7 | -65.9 | 169.5 | 0 | 0 | 0 | 114.2 | ||||
| 637 | P | 39.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | -142.7 | 175.7 | 115.9 | 39.1 | -26.6 | 0 | 0 | 0 | 115.8 | |||||
| 638 | L | 29.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -108.6 | -146.3 | 172.2 | -68.2 | 167.7 | 0 | 0 | 0 | 110.9 | ||||
| 639 | P | 61.9 | Low | 32.3 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -119.5 | -179.8 | -113.5 | 39.1 | -21.8 | 0 | 0 | 0 | 114.6 | |||||
| 640 | L | 26.4 | Very low | 32.3 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | 173.7 | 174.5 | 133.9 | -94.5 | 162.6 | 0 | 0 | 0 | 114.6 | ||||
| 641 | R | 29.3 | Very low | 31.9 | Very low | 224 Ų | 224 | 134.5 Ų | 134.5 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -115.8 | 172.3 | 178.7 | -135.5 | -175.2 | -175.2 | -174.2 | 0.9 | 108.8 | ||||
| 642 | P | 45.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | -152.1 | -164.6 | 68.2 | 40.7 | -17.7 | 0 | 0 | 0 | 116.9 | |||||
| 643 | C | 29.1 | Very low | 31.8 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -42.6 | 162.6 | -173.9 | -50.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 644 | G | 29.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | 169.1 | -165.8 | 9.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 645 | E | 28.5 | Very low | 31.9 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | cis | -156.5 | -171.9 | -12.3 | -67 | -147.2 | 59.5 | 0 | 0 | 106.3 | ||||
| 646 | G | 29.1 | Very low | 32.4 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | cis | 172.9 | 170.6 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 647 | S | 31.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 65.1 | 152.3 | -177.2 | -118.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 648 | E | 26.9 | Very low | 32 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | cis | -115.6 | -170.3 | 3.7 | -70.4 | -166.7 | 114.5 | 0 | 0 | 113.9 | ||||
| 649 | M | 30.4 | Very low | 32.3 | Very low | 181 Ų | 181 | 138 Ų | 138 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | -115.3 | 178.2 | -159.5 | -106 | -163.3 | -178.9 | 0 | 0 | 116.3 | ||||
| 650 | V | 30.3 | Very low | 31 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | 95.5 | 115.1 | 160.7 | -169.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 651 | G | 26 | Very low | 31.7 | Very low | 64 Ų | 64 | 139.1 Ų | 139.1 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 159.5 | 152.5 | -13.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 652 | K | 29.5 | Very low | 32.2 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 66.1 | 149 | 163.4 | -68.1 | -163.2 | 172.4 | -166.9 | 0 | 118.9 | ||||
| 653 | E | 28.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -167.4 | 161.5 | -27.3 | -123.2 | 164.3 | -145.1 | 0 | 0 | 109.8 | ||||
| 654 | N | 27.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | 55.8 | 107 | 145.9 | -61.5 | -22.8 | 0 | 0 | 0 | 123.1 | ||||
| 655 | S | 28 | Very low | 33 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 57.7 | 144.1 | 122.3 | 65.9 | 0 | 0 | 0 | 0 | 124 | |||||
| 656 | S | 39.2 | Very low | 33.7 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -54.5 | 156.9 | 172.6 | -37.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 657 | P | 36.3 | Very low | 34.2 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | -140.3 | 147.3 | 128.8 | 37.8 | -25.9 | 0 | 0 | 0 | 117 | |||||
| 658 | E | 29.1 | Very low | 34.5 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | trans | 20.4 | 122 | 146.4 | -54.4 | -168.6 | 137.2 | 0 | 0 | 123.8 | ||||
| 659 | N | 37.2 | Very low | 35 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | 43.4 | 109 | 113.9 | -135.4 | 0.2 | 0 | 0 | 0 | 119.8 | |||||
| 660 | K | 34.9 | Very low | 35.3 | Very low | 206 Ų | 206 | 138.7 Ų | 138.7 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | trans | -156 | 157 | 154.3 | -113.2 | 138.5 | -168.6 | 162.9 | 0 | 113.9 | ||||
| 661 | N | 40.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 57% | 0.572 | 75% | 0.749 | S | S | * | * | trans | -92.7 | 111.9 | -158.6 | -171.2 | -10 | 0 | 0 | 0 | 113.4 | L663 | N661-L663 PolarHBondContact O-N 2.81Å; N661-L663 PolarHBondContact OD1-N 2.99Å | ||
| 662 | W | 40.3 | Very low | 35.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 71% | 0.705 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -21.5 | -173.4 | 62 | -87.3 | 0 | 0 | 0 | 115 | L664 A665 | W662-L664 VanDerWaalsContact C-N 3.29Å; W662-L664 PolarHBondContact O-N 2.93Å; W662-A665 WeakPolarHBondContact O-CB 3.36Å; W662-A665 PolarHBondContact O-N 2.96Å; W662-A665 VanDerWaalsContact O-N 3.15Å |
| 663 | L | 38.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 57% | 0.565 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -67.2 | -25.7 | -173.4 | -84.9 | 153.9 | 0 | 0 | 0 | 113.9 | N661 A665 | N661-L663 PolarHBondContact O-N 2.81Å; N661-L663 PolarHBondContact OD1-N 2.99Å; L663-A665 VanDerWaalsContact C-N 3.35Å |
| 664 | L | 40.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -72.4 | -25.2 | 175.4 | -78.2 | 165.1 | 0 | 0 | 0 | 113.2 | W662 M666 | W662-L664 VanDerWaalsContact C-N 3.29Å; W662-L664 PolarHBondContact O-N 2.93Å; L664-M666 VanDerWaalsContact C-N 3.33Å; L664-M666 PolarHBondContact O-N 3.49Å |
| 665 | A | 41.6 | Very low | 36.1 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | H | α-helix | trans | -72.7 | -24 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W662 L663 | W662-A665 WeakPolarHBondContact O-CB 3.36Å; W662-A665 PolarHBondContact O-N 2.96Å; W662-A665 VanDerWaalsContact O-N 3.15Å; L663-A665 VanDerWaalsContact C-N 3.35Å |
| 666 | M | 41.6 | Very low | 36.3 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -87.7 | -22.8 | -177.4 | -67.9 | -68.8 | -87 | 0 | 0 | 113.4 | L664 A668 | L664-M666 VanDerWaalsContact C-N 3.33Å; L664-M666 PolarHBondContact O-N 3.49Å; M666-A668 VanDerWaalsContact C-N 3.33Å; M666-A668 PolarHBondContact O-N 2.86Å |
| 667 | A | 39.3 | Very low | 36.5 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -69.9 | -27.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K669 | A667-K669 VanDerWaalsContact C-N 3.32Å; A667-K669 PolarHBondContact O-N 3Å |
| 668 | A | 37.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -2.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | M666 | M666-A668 VanDerWaalsContact C-N 3.33Å; M666-A668 PolarHBondContact O-N 2.86Å |
| 669 | K | 37.9 | Very low | 36.2 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 31.7 | -169.5 | -145.9 | 171.6 | -175.6 | 174.9 | 0 | 115.6 | A667 | A667-K669 VanDerWaalsContact C-N 3.32Å; A667-K669 PolarHBondContact O-N 3Å |
| 670 | R | 36.7 | Very low | 36.2 | Very low | 236 Ų | 236 | 144.8 Ų | 144.8 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -139.9 | 58.1 | 170.8 | -73.8 | -165.9 | 174 | -160 | 0.2 | 113.4 | ||
| 671 | K | 31.2 | Very low | 35.9 | Very low | 212 Ų | 212 | 140 Ų | 140 | 92% | 0.922 | 76% | 0.762 | S | S | * | * | trans | -157 | 69 | 169.8 | -117.2 | 179.9 | -175.3 | -177 | 0 | 113.2 | ||||
| 672 | A | 29.1 | Very low | 35.4 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -179.2 | 136.5 | 170 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 673 | E | 28.9 | Very low | 34.8 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | -146.3 | 162.6 | -6.7 | -95.6 | 166 | 154.6 | 0 | 0 | 108.4 | ||||
| 674 | N | 32 | Very low | 34.6 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -105.2 | 148.9 | 162.2 | -91.9 | -26.8 | 0 | 0 | 0 | 108.1 | ||||
| 675 | P | 37.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | -140.4 | 154.2 | 107.2 | 37.1 | -25.8 | 0 | 0 | 0 | 114.8 | |||||
| 676 | S | 32 | Very low | 33.8 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -102.9 | 170.4 | 155.7 | 69.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 677 | P | 44.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | -156.6 | -179.4 | 81.1 | 44 | -25.1 | 0 | 0 | 0 | 117 | |||||
| 678 | R | 28 | Very low | 32.7 | Very low | 241 Ų | 241 | 148.5 Ų | 148.5 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 75.2 | 121.4 | 157.3 | -71.5 | 167.6 | -171.3 | -171.1 | 1.4 | 119.7 | ||||
| 679 | S | 31.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -84.2 | 178.4 | 154.1 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 680 | P | 36.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -136.5 | 167.4 | 93 | 39.2 | -29.2 | 0 | 0 | 0 | 114.5 | |||||
| 681 | S | 29 | Very low | 31.5 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -97.8 | 153 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 682 | S | 29.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 161.3 | 172.2 | 115.6 | 60 | 0 | 0 | 0 | 0 | 114 | |||||
| 683 | Q | 27.8 | Very low | 31.4 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | 70.6 | 111.8 | 160 | -60.9 | -180 | 29.3 | 0 | 0 | 120.3 | ||||
| 684 | T | 33.1 | Very low | 31.4 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 151.3 | 138.7 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 685 | P | 39.3 | Very low | 31.5 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | -155.2 | 175.2 | 79.2 | 41.3 | -21.7 | 0 | 0 | 0 | 117.6 | |||||
| 686 | N | 26.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | 36.6 | 126 | 146.5 | -63.3 | -20.5 | 0 | 0 | 0 | 121.3 | ||||
| 687 | S | 29.3 | Very low | 31.4 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | 173.9 | 175.4 | 89.9 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 688 | R | 29.1 | Very low | 30.7 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | -86.5 | 144.6 | -177.3 | -64.1 | 162.7 | 162.9 | 166.5 | -8.9 | 112.6 | ||||
| 689 | R | 28.9 | Very low | 30.8 | Very low | 230 Ų | 230 | 138.1 Ų | 138.1 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | trans | 162.8 | 155.4 | 130.3 | -94.3 | 178 | 166.7 | 157.1 | 0.2 | 108.5 | ||||
| 690 | Q | 28.9 | Very low | 30.7 | Very low | 154 Ų | 154 | 139.2 Ų | 139.2 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | cis | 177.8 | 160.2 | -24.5 | -126.8 | 179.5 | -35.5 | 0 | 0 | 104.3 | ||||
| 691 | S | 28.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 51.5 | 108.4 | 161 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 692 | G | 29.1 | Very low | 30.4 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -152.9 | 106.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 693 | K | 30.4 | Very low | 30.4 | Very low | 209 Ų | 209 | 141.9 Ų | 141.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 126.6 | 178.3 | -72.6 | 179.8 | 178.2 | 177.1 | 0 | 110 | ||||
| 694 | T | 28.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -157.9 | 128.7 | 149.8 | 12.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 695 | S | 33.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -107.9 | 130.7 | 172.1 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 696 | P | 37.3 | Very low | 29.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 141.3 | 159.1 | -6.9 | 26.1 | 0 | 0 | 0 | 111.1 | ||
| 697 | S | 30.6 | Very low | 29.8 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 162.7 | 168.8 | 32.9 | 0 | 0 | 0 | 0 | 112 | ||
| 698 | P | 30.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 132.5 | -176.3 | 27.8 | -35.3 | 0 | 0 | 0 | 112.6 | ||
| 699 | V | 29 | Very low | 30 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -87.1 | 114.6 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | I701 | V699-I701 HydrophobicContact CG1-CG1 4.27Å; V699-I701 PolarHBondContact O-N 2.9Å; V699-I701 VanDerWaalsContact O-N 3.11Å | ||
| 700 | T | 29.5 | Very low | 30 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -70.2 | 100.8 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 701 | I | 29.7 | Very low | 30.2 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -91 | 117.7 | 170.8 | -60.9 | 180 | 0 | 0 | 0 | 109 | V699 | V699-I701 HydrophobicContact CG1-CG1 4.27Å; V699-I701 PolarHBondContact O-N 2.9Å; V699-I701 VanDerWaalsContact O-N 3.11Å | ||
| 702 | T | 29.5 | Very low | 30.3 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 133.7 | 175.4 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | S704 | T702-S704 PolarHBondContact O-N 3.2Š| ||
| 703 | P | 29.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -73 | 112.6 | 176.2 | 28.6 | -32.7 | 0 | 0 | 0 | 110.1 | S705 | P703-S705 PolarHBondContact O-N 2.84Š| ||
| 704 | S | 27.6 | Very low | 30.6 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 134.1 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | T702 M706 | T702-S704 PolarHBondContact O-N 3.2Å; S704-M706 PolarHBondContact O-N 3.08Å |
| 705 | S | 27.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120.2 | -167.1 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | P703 R707 | P703-S705 PolarHBondContact O-N 2.84Å; S705-R707 PolarHBondContact O-N 2.79Å |
| 706 | M | 29 | Very low | 30.3 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.5 | 166.6 | -72.1 | -152.8 | -64.8 | 0 | 0 | 110.1 | S704 K708 | S704-M706 PolarHBondContact O-N 3.08Å; M706-K708 PolarHBondContact O-N 2.93Å |
| 707 | R | 30.6 | Very low | 29.9 | Very low | 239 Ų | 239 | 151.2 Ų | 151.2 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -66.2 | 104.2 | 171.1 | -70.7 | -174.2 | 179 | -179.6 | 0 | 109.7 | S705 I709 | S705-R707 PolarHBondContact O-N 2.79Å; R707-I709 PolarHBondContact O-N 2.86Å | ||
| 708 | K | 29.4 | Very low | 29.9 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -62.2 | 122.3 | 177.1 | -58.9 | 173.8 | -177.1 | 175.7 | 0 | 110.2 | M706 C710 | M706-K708 PolarHBondContact O-N 2.93Å; K708-C710 PolarHBondContact O-N 2.97Å | ||
| 709 | I | 32.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 80.5 | 166 | -55.1 | -179.6 | 0 | 0 | 0 | 107.6 | R707 Y712 | R707-I709 PolarHBondContact O-N 2.86Å; I709-Y712 HydrophobicContact CG2-CD2 4.17Å | ||
| 710 | C | 29.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -130.3 | 34.4 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | K708 | K708-C710 PolarHBondContact O-N 2.97Š| ||
| 711 | T | 32.6 | Very low | 29.8 | Very low | 110 Ų | 110 | 162.4 Ų | 162.4 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -143.2 | 39.5 | -167.8 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 712 | Y | 30.9 | Very low | 29.9 | Very low | 201 Ų | 201 | 161.6 Ų | 161.6 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | trans | -122.5 | -7.2 | 173.2 | -82.3 | -71.8 | 0 | 0 | 0 | 115.2 | I709 H714 | I709-Y712 HydrophobicContact CG2-CD2 4.17Å; Y712-H714 PolarHBondContact O-N 3.16Å | ||
| 713 | F | 34.8 | Very low | 29.9 | Very low | 189 Ų | 189 | 159.3 Ų | 159.3 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -97 | 72.8 | 170.3 | -69.3 | -71.2 | 0 | 0 | 0 | 111.2 | ||||
| 714 | H | 29.5 | Very low | 30.5 | Very low | 187 Ų | 187 | 159.6 Ų | 159.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -133.7 | 92.6 | 162.1 | -93.1 | 42 | 0 | 0 | 0 | 108.2 | Y712 | Y712-H714 PolarHBondContact O-N 3.16Š| ||
| 715 | R | 28.4 | Very low | 31 | Very low | 246 Ų | 246 | 162.6 Ų | 162.6 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 127 | 171.7 | -175.5 | 175 | -179.7 | 168.2 | 0.1 | 107.9 | S717 | R715-S717 PolarHBondContact O-N 3.42Š|
| 716 | K | 28.5 | Very low | 31.2 | Very low | 198 Ų | 198 | 165.8 Ų | 165.8 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.4 | 167 | -81.2 | -172.6 | 172 | -174.1 | 0 | 109.1 | ||
| 717 | S | 28.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 162.7 Ų | 162.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151 | 161.7 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | R715 | R715-S717 PolarHBondContact O-N 3.42Š|
| 718 | Q | 29.5 | Very low | 31.9 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -144 | 84.8 | 175.4 | -172.4 | 173.3 | -2.3 | 0 | 0 | 109.8 | ||||
| 719 | E | 30 | Very low | 32.8 | Very low | 169 Ų | 169 | 157.3 Ų | 157.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -140.6 | 134.7 | 169.2 | -71.3 | 170.3 | 166.2 | 0 | 0 | 102.9 | ||||
| 720 | D | 29.7 | Very low | 33.3 | Very low | 138 Ų | 138 | 162.2 Ų | 162.2 | 74% | 0.738 | 83% | 0.834 | S | S | * | * | cis | -140.9 | 164.9 | -1.9 | -77 | -48.9 | 0 | 0 | 0 | 109.6 | ||||
| 721 | F | 28.2 | Very low | 33.5 | Very low | 219 Ų | 219 | 164.9 Ų | 164.9 | 96% | 0.961 | 84% | 0.838 | S | S | * | * | trans | -150.4 | 121.1 | 142.7 | -108.4 | -73.5 | 0 | 0 | 0 | 109.5 | ||||
| 722 | C | 30.7 | Very low | 33.5 | Very low | 131 Ų | 131 | 167.7 Ų | 167.7 | 89% | 0.885 | 85% | 0.847 | S | S | * | * | trans | -134.7 | 145.3 | 179.4 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 723 | G | 30.2 | Very low | 33.7 | Very low | 64 Ų | 64 | 165.9 Ų | 165.9 | 66% | 0.66 | 85% | 0.85 | S | S | * | * | trans | 107.9 | 164.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 724 | P | 42 | Very low | 33.6 | Very low | 132 Ų | 132 | 164.5 Ų | 164.5 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | cis | -118.9 | 167.3 | -13.6 | 38.4 | -25.4 | 0 | 0 | 0 | 113.2 | ||||
| 725 | E | 37.5 | Very low | 33.8 | Very low | 179 Ų | 179 | 163.1 Ų | 163.1 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | trans | -79.3 | 152.2 | 164.7 | -60.2 | -176.6 | 144.5 | 0 | 0 | 111 | ||||
| 726 | H | 32.1 | Very low | 34.2 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 84% | 0.838 | 85% | 0.845 | S | S | * | * | trans | -165 | 114.5 | 134.9 | -109.3 | -58.6 | 0 | 0 | 0 | 114.1 | ||||
| 727 | S | 34.4 | Very low | 34.6 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 63% | 0.629 | 84% | 0.844 | S | S | * | * | trans | 35.7 | 115.3 | 131.9 | -45.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 728 | T | 40.1 | Very low | 35.1 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | 170.6 | 107.7 | 115.4 | 29.1 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 729 | E | 48.7 | Very low | 35.6 | Very low | 181 Ų | 181 | 154.9 Ų | 154.9 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | 72.8 | 92.1 | 78.9 | -74.2 | -164.8 | 155.2 | 0 | 0 | 115.2 | |||||
| 730 | L | 43 | Very low | 36.1 | Very low | 247 Ų | 247 | 153.6 Ų | 153.6 | 100% | 1.293 | 85% | 0.848 | S | S | * | * | -163.8 | 0 | 114.7 | -105.7 | 165.3 | 0 | 0 | 0 | 111.3 |
Retrieved 730 of 730 residues in 2321.7 ms
(Link to these results)