| 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 | 48.9 | Very low | 48.1 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 97% | 0.97 | 69% | 0.694 | S | S | * | * | 0 | -35.5 | 0 | -78.6 | -171.8 | -86.1 | 0 | 0 | 113.4 | R3 L4 W5 | M1-R3 PolarHBondContact O-N 2.99Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-W5 PolarHBondContact O-N 3.49Å | |||
| 2 | E | 48.8 | Very low | 47.4 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -58.5 | -35.6 | -174.5 | -60.1 | -173.3 | 142.3 | 0 | 0 | 115.9 | L4 W5 F6 | E2-L4 PolarHBondContact O-N 3.11Å; E2-W5 PolarHBondContact O-N 3Å; E2-W5 VanDerWaalsContact O-N 3.12Å; E2-F6 PolarHBondContact O-N 3.42Å |
| 3 | R | 49.3 | Very low | 46.8 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64 | -26.3 | 175.4 | -72.3 | -172.5 | 176.9 | -173.9 | -0.9 | 113.9 | M1 S7 | M1-R3 PolarHBondContact O-N 2.99Å; R3-S7 PolarHBondContact O-N 2.99Å; R3-S7 PolarHBondContact O-OG 3.41Å |
| 4 | L | 50.4 | Low | 46.3 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.1 | -35.7 | 173.1 | -84.9 | 156.3 | 0 | 0 | 0 | 111.4 | M1 E2 S7 F8 | M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.26Å; E2-L4 PolarHBondContact O-N 3.11Å; L4-S7 WeakPolarHBondContact CA-OG 3.26Å; L4-S7 PolarHBondContact O-N 3.39Å; L4-S7 PolarHBondContact O-OG 3.33Å; L4-S7 VanDerWaalsContact O-OG 3.14Å; L4-F8 WeakPolarHBondContact O-CB 3.38Å; L4-F8 PolarHBondContact O-N 3.42Å |
| 5 | W | 49.3 | Very low | 46 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 71% | 0.705 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.6 | -42.5 | 174 | -84.2 | 60.7 | 0 | 0 | 0 | 112.2 | M1 E2 S7 F8 L9 | M1-W5 PolarHBondContact O-N 3.49Å; E2-W5 PolarHBondContact O-N 3Å; E2-W5 VanDerWaalsContact O-N 3.12Å; W5-S7 PolarHBondContact O-N 3.48Å; W5-F8 PolarHBondContact O-N 3.44Å; W5-L9 WeakPolarHBondContact O-CB 3.42Å; W5-L9 PolarHBondContact O-N 3.41Å |
| 6 | F | 50 | Low | 46.2 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -64.1 | -38 | 175.1 | -97.4 | -83.4 | 0 | 0 | 0 | 113.1 | E2 L9 L10 | E2-F6 PolarHBondContact O-N 3.42Å; F6-L9 PolarHBondContact O-N 3.28Å; F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 2.93Å |
| 7 | S | 50.3 | Low | 46.6 | Very low | 52 Ų | 52 | 132.1 Ų | 132.1 | 36% | 0.364 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -70.6 | -36.1 | 174.7 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | R3 L4 W5 L10 L11 | R3-S7 PolarHBondContact O-N 2.99Å; R3-S7 PolarHBondContact O-OG 3.41Å; L4-S7 WeakPolarHBondContact CA-OG 3.26Å; L4-S7 PolarHBondContact O-N 3.39Å; L4-S7 PolarHBondContact O-OG 3.33Å; L4-S7 VanDerWaalsContact O-OG 3.14Å; W5-S7 PolarHBondContact O-N 3.48Å; S7-L10 PolarHBondContact O-N 3.16Å; S7-L11 WeakPolarHBondContact O-CB 3.42Å; S7-L11 WeakPolarHBondContact O-CD1 3.35Å; S7-L11 PolarHBondContact O-N 3.1Å |
| 8 | F | 48.6 | Very low | 47.6 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 171.7 | -134.3 | -95.4 | 0 | 0 | 0 | 112.7 | L4 W5 L11 A12 | L4-F8 WeakPolarHBondContact O-CB 3.38Å; L4-F8 PolarHBondContact O-N 3.42Å; W5-F8 PolarHBondContact O-N 3.44Å; F8-L11 PolarHBondContact O-N 3.42Å; F8-A12 VanDerWaalsContact O-CB 3.3Å; F8-A12 WeakPolarHBondContact O-CB 3.32Å; F8-A12 PolarHBondContact O-N 3.04Å |
| 9 | L | 46.8 | Very low | 49 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.6 | -35.6 | 172.9 | -107 | 115.2 | 0 | 0 | 0 | 112.8 | W5 F6 A12 A13 | W5-L9 WeakPolarHBondContact O-CB 3.42Å; W5-L9 PolarHBondContact O-N 3.41Å; F6-L9 PolarHBondContact O-N 3.28Å; L9-A12 PolarHBondContact O-N 3.28Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.46Å |
| 10 | L | 45.5 | Very low | 50.9 | Low | 123 Ų | 123 | 122.5 Ų | 122.5 | 64% | 0.644 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 173.8 | -91.9 | 150.1 | 0 | 0 | 0 | 112.4 | F6 S7 A13 A14 | F6-L10 WeakPolarHBondContact O-CB 3.43Å; F6-L10 PolarHBondContact O-N 2.93Å; S7-L10 PolarHBondContact O-N 3.16Å; L10-A13 PolarHBondContact O-N 2.85Å; L10-A14 PolarHBondContact O-N 3.47Å |
| 11 | L | 41.2 | Very low | 52.8 | Low | 132 Ų | 132 | 117.2 Ų | 117.2 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.1 | -36.8 | 170.8 | -92.9 | 126.3 | 0 | 0 | 0 | 112.4 | S7 F8 A14 | S7-L11 WeakPolarHBondContact O-CB 3.42Å; S7-L11 WeakPolarHBondContact O-CD1 3.35Å; S7-L11 PolarHBondContact O-N 3.1Å; F8-L11 PolarHBondContact O-N 3.42Å; L11-A14 WeakPolarHBondContact O-CB 3.37Å; L11-A14 PolarHBondContact O-N 3.42Å |
| 12 | A | 39.7 | Very low | 54.6 | Low | 67 Ų | 67 | 118.3 Ų | 118.3 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -37.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F8 L9 A14 C15 | F8-A12 VanDerWaalsContact O-CB 3.3Å; F8-A12 WeakPolarHBondContact O-CB 3.32Å; F8-A12 PolarHBondContact O-N 3.04Å; L9-A12 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 2.96Å; A12-C15 PolarHBondContact O-N 3.29Å |
| 13 | A | 39.4 | Very low | 56.5 | Low | 65 Ų | 65 | 118.5 Ų | 118.5 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.8 | -20.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L9 L10 C15 | L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.46Å; L10-A13 PolarHBondContact O-N 2.85Å; A13-C15 VanDerWaalsContact C-N 3.26Å; A13-C15 PolarHBondContact O-N 3.05Å |
| 14 | A | 39.5 | Very low | 58.6 | Low | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -20.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L10 L11 A12 R16 | L10-A14 PolarHBondContact O-N 3.47Å; L11-A14 WeakPolarHBondContact O-CB 3.37Å; L11-A14 PolarHBondContact O-N 3.42Å; A12-A14 VanDerWaalsContact C-N 3.29Å; A12-A14 PolarHBondContact O-N 2.96Å; A14-R16 PolarHBondContact O-N 3.44Å |
| 15 | C | 42.4 | Very low | 60.5 | Low | 108 Ų | 108 | 108.2 Ų | 108.2 | 73% | 0.73 | 57% | 0.571 | S | S | * | * | trans | -95.7 | 67.2 | 166 | -84.3 | 0 | 0 | 0 | 0 | 111.4 | A12 A13 G17 | A12-C15 PolarHBondContact O-N 3.29Å; A13-C15 VanDerWaalsContact C-N 3.26Å; A13-C15 PolarHBondContact O-N 3.05Å; C15-G17 PolarHBondContact O-N 3.44Å | ||
| 16 | R | 48.5 | Very low | 62.5 | Low | 220 Ų | 220 | 101.2 Ų | 101.2 | 83% | 0.83 | 55% | 0.549 | S | S | * | . | trans | -57.8 | 107.6 | 154.7 | -78.5 | -171.8 | 178.2 | -173.5 | 0.1 | 107.3 | A14 Q18 | A14-R16 PolarHBondContact O-N 3.44Å; R16-Q18 PolarHBondContact O-N 2.96Å; R16-Q18 VanDerWaalsContact O-N 3.17Å | ||
| 17 | G | 54.2 | Low | 64.4 | Low | 65 Ų | 65 | 98.3 Ų | 98.3 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | trans | -44.8 | 119.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112 | C15 S19 | C15-G17 PolarHBondContact O-N 3.44Å; G17-S19 PolarHBondContact O-N 3.27Å | ||
| 18 | Q | 63.3 | Low | 66 | Low | 89 Ų | 89 | 98.9 Ų | 98.9 | 42% | 0.416 | 54% | 0.542 | S | S | . | . | trans | -65.9 | 110.1 | -175.4 | -152.7 | 161.8 | 29.8 | 0 | 0 | 108.1 | R16 C20 S28 L33 | R16-Q18 PolarHBondContact O-N 2.96Å; R16-Q18 VanDerWaalsContact O-N 3.17Å; Q18-C20 VanDerWaalsContact C-N 3.31Å; Q18-C20 PolarHBondContact O-N 2.9Å; Q18-S28 PolarHBondContact NE2-OG 3.49Å; Q18-L33 HydrophobicContact CG-CD1 4.48Å | ||
| 19 | S | 74.6 | Confident | 67.2 | Low | 63 Ų | 63 | 96.5 Ų | 96.5 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | trans | -70.8 | 86.6 | -172.7 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | G17 A48 D50 | G17-S19 PolarHBondContact O-N 3.27Å; S19-A48 VanDerWaalsContact O-O 3.14Å; S19-D50 PolarHBondContact O-N 3.23Å | ||
| 20 | C | 87.3 | Confident | 68.1 | Low | 52 Ų | 52 | 96.4 Ų | 96.4 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | trans | -96.5 | 125.2 | 175.5 | -161.9 | 0 | 0 | 0 | 0 | 110.4 | Q18 C24 C26 | Q18-C20 VanDerWaalsContact C-N 3.31Å; Q18-C20 PolarHBondContact O-N 2.9Å; C20-C24 PolarHBondContact SG-O 3.32Å; C20-C26 WeakPolarHBondContact CA-SG 3.35Å; C20-C26 HydrophobicContact CB-CB 3.85Å; C20-C26 WeakPolarHBondContact CB-SG 3.42Å; C20-C26 WeakPolarHBondContact SG-CB 3.48Å; C20-C26 PolarHBondContact SG-N 3.45Å; C20-C26 CovalentContact SG-SG 2.03Å; C20-C26 PolarHBondContact SG-SG 3.27Å | ||
| 21 | P | 90.9 | Very high | 69.2 | Low | 12 Ų | 12 | 97 Ų | 97 | 8% | 0.078 | 56% | 0.556 | C | S | . | * | trans | -63.8 | 139.7 | 175.2 | -16.4 | 26.7 | 0 | 0 | 0 | 111.6 | R23 C24 P46 A48 I49 | P21-R23 PolarHBondContact O-N 3.49Å; P21-C24 HydrophobicContact CB-CB 4.21Å; P21-C24 HydrophobicContact CG-CB 4.27Å; P21-C24 PolarHBondContact O-N 3.03Å; P21-P46 HydrophobicContact CB-CB 3.8Å; P21-P46 HydrophobicContact CB-CG 4.2Å; P21-P46 HydrophobicContact CG-CB 3.8Å; P21-P46 HydrophobicContact CG-CG 4.27Å; P21-A48 WeakPolarHBondContact CD-O 3.49Å; P21-A48 WeakPolarHBondContact CG-O 3.36Å; P21-I49 HydrophobicContact CG-CG1 4.1Å | ||
| 22 | K | 86.4 | Confident | 71.1 | Confident | 221 Ų | 221 | 93.3 Ų | 93.3 | 96% | 0.961 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.9 | -172 | -65.3 | -173 | 178.3 | -175.4 | 0 | 116.7 | ||
| 23 | R | 88.3 | Confident | 73.5 | Confident | 163 Ų | 163 | 90.6 Ų | 90.6 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -2.2 | 179.2 | -65.9 | -169.2 | 178.9 | -175.9 | 2.6 | 113.6 | P21 T40 | P21-R23 PolarHBondContact O-N 3.49Å; R23-T40 HydrophobicContact CB-CG2 4.43Å; R23-T40 PolarHBondContact NH1-O 3.05Å; R23-T40 WeakPolarHBondContact O-CG2 3.29Å |
| 24 | C | 93.3 | Very high | 76.1 | Confident | 15 Ų | 15 | 88 Ų | 88 | 10% | 0.101 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -108.4 | 155.5 | -174.1 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | C20 P21 I35 L36 C37 | C20-C24 PolarHBondContact SG-O 3.32Å; P21-C24 HydrophobicContact CB-CB 4.21Å; P21-C24 HydrophobicContact CG-CB 4.27Å; P21-C24 PolarHBondContact O-N 3.03Å; C24-I35 HydrophobicContact CB-CG2 4.11Å; C24-L36 CarbonylContact C-O 3.6Å; C24-L36 VanDerWaalsContact CA-O 3.31Å; C24-L36 WeakPolarHBondContact CA-O 3.34Å; C24-L36 WeakPolarHBondContact CB-O 3.46Å; C24-C37 HydrophobicContact CB-CB 4.02Å; C24-C37 WeakPolarHBondContact CB-SG 3.3Å; C24-C37 WeakPolarHBondContact SG-CB 3.39Å; C24-C37 CovalentContact SG-SG 2.03Å; C24-C37 PolarHBondContact SG-SG 3.44Å |
| 25 | M | 92.1 | Very high | 78.7 | Confident | 131 Ų | 131 | 84.1 Ų | 84.1 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.2 | 169.4 | -59.7 | 177.4 | 70.1 | 0 | 0 | 108.9 | L36 | M25-L36 HydrophobicContact CB-CB 4.42Å; M25-L36 PolarHBondContact N-O 3.32Å; M25-L36 PolarHBondContact O-N 3.09Å |
| 26 | C | 91.2 | Very high | 81.2 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.6 | 176.2 | -57 | 0 | 0 | 0 | 0 | 109.8 | C20 A34 I35 | C20-C26 WeakPolarHBondContact CA-SG 3.35Å; C20-C26 HydrophobicContact CB-CB 3.85Å; C20-C26 WeakPolarHBondContact CB-SG 3.42Å; C20-C26 WeakPolarHBondContact SG-CB 3.48Å; C20-C26 PolarHBondContact SG-N 3.45Å; C20-C26 CovalentContact SG-SG 2.03Å; C20-C26 PolarHBondContact SG-SG 3.27Å; C26-A34 WeakPolarHBondContact CA-O 3.41Å; C26-I35 HydrophobicContact CB-CG1 4.33Å |
| 27 | Q | 88.5 | Confident | 83.5 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.5 | -178.9 | -65.7 | -179.7 | -15.2 | 0 | 0 | 108.9 | L29 A34 L36 | Q27-L29 HydrophobicContact CB-CD1 4.03Å; Q27-A34 HydrophobicContact CB-CB 4.46Å; Q27-A34 PolarHBondContact N-O 3.16Å; Q27-A34 PolarHBondContact O-N 3.44Å; Q27-L36 HydrophobicContact CG-CD1 4.47Å |
| 28 | S | 83.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 44% | 0.441 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 80.7 | -177.4 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | Q18 S30 | Q18-S28 PolarHBondContact NE2-OG 3.49Å; S28-S30 PolarHBondContact O-N 3.03Å |
| 29 | L | 73.9 | Confident | 86.9 | Confident | 116 Ų | 116 | 72.1 Ų | 72.1 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 83.2 | 172.2 | -69.5 | 94.4 | 0 | 0 | 0 | 108.2 | Q27 P31 S32 | Q27-L29 HydrophobicContact CB-CD1 4.03Å; L29-P31 VanDerWaalsContact O-N 3.09Å; L29-S32 CarbonylContact C-O 3.58Å; L29-S32 PolarHBondContact N-O 3.3Å; L29-S32 PolarHBondContact O-N 3.03Å; L29-S32 PolarHBondContact O-OG 3.31Å; L29-S32 VanDerWaalsContact O-OG 3.09Å |
| 30 | S | 66.6 | Low | 87.9 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 78% | 0.783 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 118.1 | -178 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | S28 | S28-S30 PolarHBondContact O-N 3.03Š|
| 31 | P | 67.6 | Low | 88.2 | Confident | 136 Ų | 136 | 69.5 Ų | 69.5 | 88% | 0.883 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.2 | -3.3 | 18.4 | 37.4 | -37.1 | 0 | 0 | 0 | 117.1 | L29 | L29-P31 VanDerWaalsContact O-N 3.09Š|
| 32 | S | 81.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.9 | -176.2 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | L29 | L29-S32 CarbonylContact C-O 3.58Å; L29-S32 PolarHBondContact N-O 3.3Å; L29-S32 PolarHBondContact O-N 3.03Å; L29-S32 PolarHBondContact O-OG 3.31Å; L29-S32 VanDerWaalsContact O-OG 3.09Å |
| 33 | L | 89.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.7 | 168.7 | 175.9 | 57.3 | 0 | 0 | 0 | 109.2 | Q18 D50 V54 E55 | Q18-L33 HydrophobicContact CG-CD1 4.48Å; L33-D50 HydrophobicContact CD2-CB 3.77Å; L33-V54 PolarHBondContact O-N 3.48Å; L33-E55 PolarHBondContact O-N 2.73Å |
| 34 | A | 93.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C26 Q27 E55 | C26-A34 WeakPolarHBondContact CA-O 3.41Å; Q27-A34 HydrophobicContact CB-CB 4.46Å; Q27-A34 PolarHBondContact N-O 3.16Å; Q27-A34 PolarHBondContact O-N 3.44Å; A34-E55 CarbonylContact C-O 3.58Å; A34-E55 WeakPolarHBondContact CA-O 3.3Å; A34-E55 HydrophobicContact CB-CB 4.1Å |
| 35 | I | 94.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121 | 176.3 | -60.5 | -171.6 | 0 | 0 | 0 | 109.1 | C24 C26 I49 D50 T53 E55 L56 R57 | C24-I35 HydrophobicContact CB-CG2 4.11Å; C26-I35 HydrophobicContact CB-CG1 4.33Å; I35-I49 HydrophobicContact CD1-CG2 4.18Å; I35-D50 HydrophobicContact CD1-CB 4.49Å; I35-T53 HydrophobicContact CB-CG2 4.2Å; I35-T53 HydrophobicContact CD1-CG2 4.29Å; I35-T53 WeakPolarHBondContact CD1-OG1 3.27Å; I35-T53 HydrophobicContact CG1-CG2 3.95Å; I35-E55 PolarHBondContact N-O 3.24Å; I35-L56 HydrophobicContact CB-CD1 3.94Å; I35-L56 HydrophobicContact CG2-CD1 3.95Å; I35-R57 PolarHBondContact O-N 2.91Å |
| 36 | L | 95.2 | Very high | 89.4 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 110.6 | -172.2 | -47.5 | 177.8 | 0 | 0 | 0 | 109.3 | C24 M25 Q27 R57 | C24-L36 CarbonylContact C-O 3.6Å; C24-L36 VanDerWaalsContact CA-O 3.31Å; C24-L36 WeakPolarHBondContact CA-O 3.34Å; C24-L36 WeakPolarHBondContact CB-O 3.46Å; M25-L36 HydrophobicContact CB-CB 4.42Å; M25-L36 PolarHBondContact N-O 3.32Å; M25-L36 PolarHBondContact O-N 3.09Å; Q27-L36 HydrophobicContact CG-CD1 4.47Å; L36-R57 HydrophobicContact CD2-CB 3.93Å; L36-R57 HydrophobicContact CD2-CG 3.85Å |
| 37 | C | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -119 | 25 | -179.9 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | C24 T40 L42 R57 L58 N61 | C24-C37 HydrophobicContact CB-CB 4.02Å; C24-C37 WeakPolarHBondContact CB-SG 3.3Å; C24-C37 WeakPolarHBondContact SG-CB 3.39Å; C24-C37 CovalentContact SG-SG 2.03Å; C24-C37 PolarHBondContact SG-SG 3.44Å; C37-T40 VanDerWaalsContact O-CG2 3.32Å; C37-T40 WeakPolarHBondContact O-CG2 3.34Å; C37-T40 PolarHBondContact O-OG1 3.08Å; C37-L42 HydrophobicContact CB-CD1 3.7Å; C37-R57 PolarHBondContact N-O 3.36Å; C37-L58 HydrophobicContact CB-CD2 3.69Å; C37-N61 PolarHBondContact O-ND2 2.88Å | ||
| 38 | S | 95.1 | Very high | 89.3 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 29% | 0.287 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 135.7 | -171.9 | -40 | 0 | 0 | 0 | 0 | 112.1 | T40 Q59 | S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.36Å; S38-Q59 VanDerWaalsContact CA-O 3.26Å; S38-Q59 WeakPolarHBondContact CA-O 3.43Å; S38-Q59 PolarHBondContact OG-NE2 2.91Å; S38-Q59 PolarHBondContact OG-OE1 2.89Å |
| 39 | K | 95.3 | Very high | 89.7 | Confident | 153 Ų | 153 | 54.9 Ų | 54.9 | 67% | 0.665 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 33.3 | 179.7 | -51.8 | 175.9 | -168.8 | -92.1 | 0 | 114.8 | Q59 E60 | K39-Q59 PolarHBondContact N-O 3.17Å; K39-E60 WeakPolarHBondContact CA-O 3.19Å; K39-E60 VanDerWaalsContact CE-OE2 3.22Å; K39-E60 WeakPolarHBondContact CE-OE2 3.26Å; K39-E60 HydrophobicContact CG-CB 3.78Å; K39-E60 WeakPolarHBondContact CG-OE2 3.39Å; K39-E60 PolarHBondContact N-O 2.85Å; K39-E60 IonicContact NZ-OE1 3.92Å; K39-E60 IonicContact NZ-OE2 2.7Å; K39-E60 PolarHBondContact NZ-OE2 2.88Å |
| 40 | T | 94.7 | Very high | 90.5 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -102.4 | 3.7 | -173.8 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | R23 C37 S38 L42 N61 | R23-T40 HydrophobicContact CB-CG2 4.43Å; R23-T40 PolarHBondContact NH1-O 3.05Å; R23-T40 WeakPolarHBondContact O-CG2 3.29Å; C37-T40 VanDerWaalsContact O-CG2 3.32Å; C37-T40 WeakPolarHBondContact O-CG2 3.34Å; C37-T40 PolarHBondContact O-OG1 3.08Å; S38-T40 VanDerWaalsContact C-N 3.34Å; S38-T40 PolarHBondContact O-N 3.36Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 3.46Å; T40-L42 WeakPolarHBondContact OG1-CD1 3.37Å; T40-L42 VanDerWaalsContact OG1-CG 3.32Å; T40-L42 WeakPolarHBondContact OG1-CG 3.38Å; T40-N61 PolarHBondContact N-OD1 2.86Å; T40-N61 PolarHBondContact OG1-OD1 2.98Å |
| 41 | G | 94.6 | Very high | 91.7 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | trans | 65.2 | 35.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N61 | G41-N61 PolarHBondContact N-OD1 2.72Š| ||
| 42 | L | 95.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | trans | -72.9 | 127.8 | 177.6 | -70.9 | 167.4 | 0 | 0 | 0 | 111 | C37 T40 P46 L58 N61 F62 I63 | C37-L42 HydrophobicContact CB-CD1 3.7Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 3.46Å; T40-L42 WeakPolarHBondContact OG1-CD1 3.37Å; T40-L42 VanDerWaalsContact OG1-CG 3.32Å; T40-L42 WeakPolarHBondContact OG1-CG 3.38Å; L42-P46 HydrophobicContact CD1-CG 3.79Å; L42-P46 HydrophobicContact CD2-CG 3.97Å; L42-L58 HydrophobicContact CD1-CD2 4.43Å; L42-N61 HydrophobicContact CB-CB 4.09Å; L42-N61 PolarHBondContact N-OD1 3.26Å; L42-F62 CarbonylContact O-C 3.45Å; L42-F62 VanDerWaalsContact O-C 3.22Å; L42-F62 WeakPolarHBondContact O-CA 3.14Å; L42-F62 PolarHBondContact O-N 3.03Å; L42-I63 HydrophobicContact CB-CG1 4.39Å; L42-I63 PolarHBondContact O-N 3.04Å | ||
| 43 | L | 94.9 | Very high | 93.4 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 59% | 0.592 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -86.8 | -15.1 | 173 | -54.2 | -178.9 | 0 | 0 | 0 | 112.5 | F62 | L43-F62 HydrophobicContact CD2-CB 3.99Š|
| 44 | F | 95.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 47.3 Ų | 47.3 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -155 | 157 | -176.8 | 49.6 | -97.8 | 0 | 0 | 0 | 110.2 | ||
| 45 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -60.2 | 127.4 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | I49 L58 I63 D70 F71 | V45-I49 HydrophobicContact CG1-CD1 3.78Å; V45-L58 HydrophobicContact CG1-CD1 3.99Å; V45-L58 HydrophobicContact CG2-CD1 4.22Å; V45-I63 HydrophobicContact CG2-CD1 4.17Å; V45-I63 HydrophobicContact CG2-CG2 4.32Å; V45-D70 HydrophobicContact CB-CB 3.8Å; V45-D70 HydrophobicContact CG1-CB 3.94Å; V45-D70 HydrophobicContact CG2-CB 4.05Å; V45-F71 HydrophobicContact CG1-CE1 3.83Å; V45-F71 HydrophobicContact CG1-CZ 4.11Å; V45-F71 HydrophobicContact CG2-CE1 4.4Å; V45-F71 HydrophobicContact CG2-CE2 4.42Å; V45-F71 HydrophobicContact CG2-CZ 3.82Å | ||
| 46 | P | 93.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | trans | -58.1 | 138.5 | 178.8 | -25.3 | 33.4 | 0 | 0 | 0 | 112.6 | P21 L42 I49 | P21-P46 HydrophobicContact CB-CB 3.8Å; P21-P46 HydrophobicContact CB-CG 4.2Å; P21-P46 HydrophobicContact CG-CB 3.8Å; P21-P46 HydrophobicContact CG-CG 4.27Å; L42-P46 HydrophobicContact CD1-CG 3.79Å; L42-P46 HydrophobicContact CD2-CG 3.97Å; P46-I49 HydrophobicContact CB-CD1 4.27Å; P46-I49 HydrophobicContact CB-CG1 4.15Å; P46-I49 WeakPolarHBondContact O-CD1 3.28Å; P46-I49 WeakPolarHBondContact O-CG1 3.37Å | ||
| 47 | T | 88.8 | Confident | 94 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 64% | 0.644 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -78 | -27 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | I49 | T47-I49 PolarHBondContact O-N 3.04Š|
| 48 | A | 88 | Confident | 94 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 45% | 0.446 | 26% | 0.264 | S | S | . | . | trans | -94.6 | 58.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S19 P21 | S19-A48 VanDerWaalsContact O-O 3.14Å; P21-A48 WeakPolarHBondContact CD-O 3.49Å; P21-A48 WeakPolarHBondContact CG-O 3.36Å | ||
| 49 | I | 91.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | trans | -101.4 | 129.1 | 176.5 | -66.4 | 174.1 | 0 | 0 | 0 | 109 | P21 I35 V45 P46 T47 R51 L56 M74 | P21-I49 HydrophobicContact CG-CG1 4.1Å; I35-I49 HydrophobicContact CD1-CG2 4.18Å; V45-I49 HydrophobicContact CG1-CD1 3.78Å; P46-I49 HydrophobicContact CB-CD1 4.27Å; P46-I49 HydrophobicContact CB-CG1 4.15Å; P46-I49 WeakPolarHBondContact O-CD1 3.28Å; P46-I49 WeakPolarHBondContact O-CG1 3.37Å; T47-I49 PolarHBondContact O-N 3.04Å; I49-R51 PolarHBondContact O-N 3.45Å; I49-L56 HydrophobicContact CD1-CD1 4.38Å; I49-L56 HydrophobicContact CD1-CD2 4.05Å; I49-L56 HydrophobicContact CG2-CD2 4.48Å; I49-M74 HydrophobicContact CG2-CE 3.61Å; I49-M74 HydrophobicContact CG2-SD 4.04Å | ||
| 50 | D | 91.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -62.7 | 124 | 172.8 | -168.5 | -36.7 | 0 | 0 | 0 | 110.4 | S19 L33 I35 R52 T53 | S19-D50 PolarHBondContact O-N 3.23Å; L33-D50 HydrophobicContact CD2-CB 3.77Å; I35-D50 HydrophobicContact CD1-CB 4.49Å; D50-R52 PolarHBondContact O-N 3.17Å; D50-R52 VanDerWaalsContact OD1-CB 3.3Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.04Å; D50-R52 IonicContact OD1-CZ 3.81Å; D50-R52 PolarHBondContact OD1-N 3.17Å; D50-R52 IonicContact OD1-NE 3.84Å; D50-R52 PolarHBondContact OD1-NE 3.29Å; D50-R52 IonicContact OD1-NH2 3.9Å; D50-R52 IonicContact OD2-CZ 3.24Å; D50-R52 IonicContact OD2-NE 2.61Å; D50-R52 PolarHBondContact OD2-NE 3.39Å; D50-R52 IonicContact OD2-NH2 2.63Å; D50-R52 PolarHBondContact OD2-NH2 2.69Å; D50-T53 VanDerWaalsContact O-CB 3.3Å; D50-T53 WeakPolarHBondContact O-CB 3.15Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 VanDerWaalsContact O-N 3.13Å; D50-T53 PolarHBondContact O-OG1 3.1Å | ||
| 51 | R | 92.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.9 | -175.5 | -55.9 | -56.3 | -176.7 | 177.4 | 4.3 | 113.8 | I49 T53 K69 D70 A72 M74 | I49-R51 PolarHBondContact O-N 3.45Å; R51-T53 VanDerWaalsContact C-N 3.31Å; R51-K69 PolarHBondContact NH2-O 2.99Å; R51-D70 PolarHBondContact NH1-O 2.78Å; R51-A72 WeakPolarHBondContact CD-O 3.42Å; R51-A72 PolarHBondContact NE-O 3.34Å; R51-A72 PolarHBondContact NH1-O 2.96Å; R51-M74 HydrophobicContact CB-CG 4.49Å; R51-M74 PolarHBondContact NH1-SD 2.97Å; R51-M74 VanDerWaalsContact NH1-SD 3.38Å |
| 52 | R | 91.3 | Very high | 94.5 | Very high | 142 Ų | 142 | 50.1 Ų | 50.1 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.3 | 172.2 | -57.1 | 172.8 | -67.2 | 172.9 | 1.2 | 113.5 | D50 V54 | D50-R52 PolarHBondContact O-N 3.17Å; D50-R52 VanDerWaalsContact OD1-CB 3.3Å; D50-R52 WeakPolarHBondContact OD1-CB 3.43Å; D50-R52 WeakPolarHBondContact OD1-CG 3.04Å; D50-R52 IonicContact OD1-CZ 3.81Å; D50-R52 PolarHBondContact OD1-N 3.17Å; D50-R52 IonicContact OD1-NE 3.84Å; D50-R52 PolarHBondContact OD1-NE 3.29Å; D50-R52 IonicContact OD1-NH2 3.9Å; D50-R52 IonicContact OD2-CZ 3.24Å; D50-R52 IonicContact OD2-NE 2.61Å; D50-R52 PolarHBondContact OD2-NE 3.39Å; D50-R52 IonicContact OD2-NH2 2.63Å; D50-R52 PolarHBondContact OD2-NH2 2.69Å; R52-V54 PolarHBondContact O-N 2.86Å |
| 53 | T | 93.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -56.3 | 130.2 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 111 | I35 D50 R51 E55 L56 M74 S76 L77 | I35-T53 HydrophobicContact CB-CG2 4.2Å; I35-T53 HydrophobicContact CD1-CG2 4.29Å; I35-T53 WeakPolarHBondContact CD1-OG1 3.27Å; I35-T53 HydrophobicContact CG1-CG2 3.95Å; D50-T53 VanDerWaalsContact O-CB 3.3Å; D50-T53 WeakPolarHBondContact O-CB 3.15Å; D50-T53 PolarHBondContact O-N 3.46Å; D50-T53 VanDerWaalsContact O-N 3.13Å; D50-T53 PolarHBondContact O-OG1 3.1Å; R51-T53 VanDerWaalsContact C-N 3.31Å; T53-E55 WeakPolarHBondContact CG2-O 3.21Å; T53-L56 HydrophobicContact CG2-CB 4.16Å; T53-M74 HydrophobicContact CG2-CE 4.44Å; T53-S76 CarbonylContact O-C 3.45Å; T53-L77 HydrophobicContact CG2-CD1 4.12Å; T53-L77 WeakPolarHBondContact O-CA 3.46Å; T53-L77 WeakPolarHBondContact O-CD1 3.4Å; T53-L77 PolarHBondContact O-N 2.85Å | ||
| 54 | V | 95.2 | Very high | 94.8 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -95.1 | -31.9 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L33 R52 L78 H79 | L33-V54 PolarHBondContact O-N 3.48Å; R52-V54 PolarHBondContact O-N 2.86Å; V54-L78 HydrophobicContact CG1-CB 4.22Å; V54-L78 HydrophobicContact CG1-CD1 3.73Å; V54-L78 HydrophobicContact CG1-CG 3.88Å; V54-L78 PolarHBondContact O-N 2.93Å; V54-H79 PolarHBondContact O-N 3.12Å |
| 55 | E | 95.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125 | 178.8 | 175.8 | 168.2 | -170.7 | 0 | 0 | 110.8 | L33 A34 I35 T53 R57 H79 | L33-E55 PolarHBondContact O-N 2.73Å; A34-E55 CarbonylContact C-O 3.58Å; A34-E55 WeakPolarHBondContact CA-O 3.3Å; A34-E55 HydrophobicContact CB-CB 4.1Å; I35-E55 PolarHBondContact N-O 3.24Å; T53-E55 WeakPolarHBondContact CG2-O 3.21Å; E55-R57 HydrophobicContact CG-CG 4.27Å; E55-R57 IonicContact OE1-CZ 2.72Å; E55-R57 IonicContact OE1-NE 3.89Å; E55-R57 PolarHBondContact OE1-NE 2.83Å; E55-R57 IonicContact OE1-NH2 2.73Å; E55-R57 PolarHBondContact OE1-NH2 3.04Å; E55-H79 WeakPolarHBondContact CA-O 3.26Å; E55-H79 HydrophobicContact CG-CB 4.26Å |
| 56 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 113.1 | -178.7 | 178.9 | 57.7 | 0 | 0 | 0 | 110.4 | I35 I49 T53 L58 F71 M74 L77 H79 L80 T81 | I35-L56 HydrophobicContact CB-CD1 3.94Å; I35-L56 HydrophobicContact CG2-CD1 3.95Å; I49-L56 HydrophobicContact CD1-CD1 4.38Å; I49-L56 HydrophobicContact CD1-CD2 4.05Å; I49-L56 HydrophobicContact CG2-CD2 4.48Å; T53-L56 HydrophobicContact CG2-CB 4.16Å; L56-L58 HydrophobicContact CD1-CD1 4.5Å; L56-L58 HydrophobicContact CD1-CD2 3.91Å; L56-L58 HydrophobicContact CD1-CG 4.05Å; L56-L58 HydrophobicContact CD2-CD1 4.08Å; L56-L58 HydrophobicContact CD2-CG 4.45Å; L56-L58 HydrophobicContact CG-CD1 4.13Å; L56-L58 HydrophobicContact CG-CD2 4.37Å; L56-L58 HydrophobicContact CG-CG 3.96Å; L56-F71 HydrophobicContact CD2-CD1 4.14Å; L56-F71 HydrophobicContact CD2-CE1 3.72Å; L56-M74 HydrophobicContact CD2-CE 4.1Å; L56-M74 HydrophobicContact CD2-SD 4.5Å; L56-L77 HydrophobicContact CB-CD1 3.76Å; L56-H79 PolarHBondContact N-O 3.21Å; L56-L80 HydrophobicContact CB-CD1 4.08Å; L56-L80 HydrophobicContact CD2-CD1 3.98Å; L56-L80 HydrophobicContact CG-CD1 4.01Å; L56-T81 PolarHBondContact O-N 2.88Å |
| 57 | R | 97.4 | Very high | 95.1 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 109 | -178.8 | -65.8 | -159.1 | -164.7 | 174.9 | 1.4 | 110.9 | I35 L36 C37 E55 | I35-R57 PolarHBondContact O-N 2.91Å; L36-R57 HydrophobicContact CD2-CB 3.93Å; L36-R57 HydrophobicContact CD2-CG 3.85Å; C37-R57 PolarHBondContact N-O 3.36Å; E55-R57 HydrophobicContact CG-CG 4.27Å; E55-R57 IonicContact OE1-CZ 2.72Å; E55-R57 IonicContact OE1-NE 3.89Å; E55-R57 PolarHBondContact OE1-NE 2.83Å; E55-R57 IonicContact OE1-NH2 2.73Å; E55-R57 PolarHBondContact OE1-NH2 3.04Å |
| 58 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -117.6 | 16.9 | -177.1 | -61.9 | 176.5 | 0 | 0 | 0 | 112.5 | C37 L42 V45 L56 N61 I63 F71 T81 L82 N85 | C37-L58 HydrophobicContact CB-CD2 3.69Å; L42-L58 HydrophobicContact CD1-CD2 4.43Å; V45-L58 HydrophobicContact CG1-CD1 3.99Å; V45-L58 HydrophobicContact CG2-CD1 4.22Å; L56-L58 HydrophobicContact CD1-CD1 4.5Å; L56-L58 HydrophobicContact CD1-CD2 3.91Å; L56-L58 HydrophobicContact CD1-CG 4.05Å; L56-L58 HydrophobicContact CD2-CD1 4.08Å; L56-L58 HydrophobicContact CD2-CG 4.45Å; L56-L58 HydrophobicContact CG-CD1 4.13Å; L56-L58 HydrophobicContact CG-CD2 4.37Å; L56-L58 HydrophobicContact CG-CG 3.96Å; L58-N61 PolarHBondContact O-ND2 2.83Å; L58-I63 HydrophobicContact CB-CD1 4.28Å; L58-I63 HydrophobicContact CD1-CD1 4.44Å; L58-F71 HydrophobicContact CD1-CE1 4.01Å; L58-F71 HydrophobicContact CD1-CZ 4.03Å; L58-T81 CarbonylContact C-O 3.51Å; L58-T81 WeakPolarHBondContact CA-O 3.12Å; L58-T81 PolarHBondContact N-O 2.87Å; L58-L82 HydrophobicContact CB-CD2 3.94Å; L58-L82 HydrophobicContact CD1-CD2 3.77Å; L58-L82 HydrophobicContact CG-CD2 4.48Å; L58-N85 PolarHBondContact O-ND2 2.8Å | ||
| 59 | Q | 96.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | trans | -70.7 | 156.2 | -174.1 | 78.5 | -75.5 | 31.7 | 0 | 0 | 114.3 | S38 K39 N61 T81 S83 | S38-Q59 VanDerWaalsContact CA-O 3.26Å; S38-Q59 WeakPolarHBondContact CA-O 3.43Å; S38-Q59 PolarHBondContact OG-NE2 2.91Å; S38-Q59 PolarHBondContact OG-OE1 2.89Å; K39-Q59 PolarHBondContact N-O 3.17Å; Q59-N61 PolarHBondContact O-ND2 2.79Å; Q59-T81 HydrophobicContact CB-CG2 4.05Å; Q59-S83 CarbonylContact C-O 3.53Å; Q59-S83 WeakPolarHBondContact CA-O 3.07Å; Q59-S83 WeakPolarHBondContact CB-O 3.29Å | ||
| 60 | E | 97.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 58.8 | 54.2 | 179.5 | -61.5 | 177.5 | -132.7 | 0 | 0 | 111.8 | K39 S83 R84 | K39-E60 WeakPolarHBondContact CA-O 3.19Å; K39-E60 VanDerWaalsContact CE-OE2 3.22Å; K39-E60 WeakPolarHBondContact CE-OE2 3.26Å; K39-E60 HydrophobicContact CG-CB 3.78Å; K39-E60 WeakPolarHBondContact CG-OE2 3.39Å; K39-E60 PolarHBondContact N-O 2.85Å; K39-E60 IonicContact NZ-OE1 3.92Å; K39-E60 IonicContact NZ-OE2 2.7Å; K39-E60 PolarHBondContact NZ-OE2 2.88Å; E60-S83 PolarHBondContact N-O 3.46Å; E60-S83 VanDerWaalsContact N-O 3.1Å; E60-R84 WeakPolarHBondContact CA-O 3.45Å; E60-R84 HydrophobicContact CG-CB 3.79Å; E60-R84 HydrophobicContact CG-CG 4.5Å; E60-R84 VanDerWaalsContact CG-NE 3.29Å; E60-R84 PolarHBondContact N-O 2.89Å; E60-R84 VanDerWaalsContact N-O 3.13Å; E60-R84 IonicContact OE1-CZ 3.44Å; E60-R84 IonicContact OE1-NE 2.67Å; E60-R84 PolarHBondContact OE1-NE 2.8Å; E60-R84 VanDerWaalsContact OE1-NE 3.12Å; E60-R84 IonicContact OE1-NH2 3.29Å; E60-R84 PolarHBondContact OE1-NH2 2.79Å |
| 61 | N | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -131.2 | -170.2 | 175.2 | -75.4 | -67.5 | 0 | 0 | 0 | 109.4 | C37 T40 G41 L42 L58 Q59 I63 R84 N85 | C37-N61 PolarHBondContact O-ND2 2.88Å; T40-N61 PolarHBondContact N-OD1 2.86Å; T40-N61 PolarHBondContact OG1-OD1 2.98Å; G41-N61 PolarHBondContact N-OD1 2.72Å; L42-N61 HydrophobicContact CB-CB 4.09Å; L42-N61 PolarHBondContact N-OD1 3.26Å; L58-N61 PolarHBondContact O-ND2 2.83Å; Q59-N61 PolarHBondContact O-ND2 2.79Å; N61-I63 HydrophobicContact CB-CG1 4.29Å; N61-R84 PolarHBondContact N-O 2.84Å; N61-N85 WeakPolarHBondContact CA-OD1 3.3Å; N61-N85 WeakPolarHBondContact CB-OD1 3.27Å; N61-N85 WeakPolarHBondContact O-CA 3.36Å; N61-N85 PolarHBondContact O-OD1 2.84Å |
| 62 | F | 97.8 | Very high | 96.3 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 53% | 0.531 | 21% | 0.208 | S | C | . | . | trans | -120.2 | 35.3 | -177.6 | -52 | -67.8 | 0 | 0 | 0 | 111.2 | L42 L43 T64 N85 T86 | L42-F62 CarbonylContact O-C 3.45Å; L42-F62 VanDerWaalsContact O-C 3.22Å; L42-F62 WeakPolarHBondContact O-CA 3.14Å; L42-F62 PolarHBondContact O-N 3.03Å; L43-F62 HydrophobicContact CD2-CB 3.99Å; F62-T64 PolarHBondContact O-N 3.24Å; F62-N85 PolarHBondContact N-OD1 2.85Å; F62-T86 VanDerWaalsContact C-OG1 3.29Å; F62-T86 PolarHBondContact O-OG1 3.48Å | ||
| 63 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -69.9 | 124.5 | 178.7 | -58 | 174.2 | 0 | 0 | 0 | 108.2 | L42 V45 L58 N61 L82 N85 T86 I87 | L42-I63 HydrophobicContact CB-CG1 4.39Å; L42-I63 PolarHBondContact O-N 3.04Å; V45-I63 HydrophobicContact CG2-CD1 4.17Å; V45-I63 HydrophobicContact CG2-CG2 4.32Å; L58-I63 HydrophobicContact CB-CD1 4.28Å; L58-I63 HydrophobicContact CD1-CD1 4.44Å; N61-I63 HydrophobicContact CB-CG1 4.29Å; I63-L82 HydrophobicContact CD1-CD2 4.38Å; I63-N85 HydrophobicContact CB-CB 4.5Å; I63-N85 WeakPolarHBondContact CB-OD1 3.34Å; I63-N85 WeakPolarHBondContact CG1-OD1 3.48Å; I63-N85 PolarHBondContact N-OD1 2.91Å; I63-T86 CarbonylContact O-C 3.38Å; I63-T86 PolarHBondContact O-N 3.45Å; I63-T86 VanDerWaalsContact O-N 3.15Å; I63-T86 PolarHBondContact O-OG1 3.34Å; I63-I87 HydrophobicContact CB-CG1 4.33Å; I63-I87 HydrophobicContact CG2-CG1 4.2Å; I63-I87 WeakPolarHBondContact O-CA 3.28Å; I63-I87 WeakPolarHBondContact O-CG1 3.22Å; I63-I87 PolarHBondContact O-N 3.44Å | ||
| 64 | T | 97.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 48% | 0.479 | 21% | 0.212 | S | C | . | . | trans | -98.6 | -25.7 | -176.5 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | F62 I87 S88 | F62-T64 PolarHBondContact O-N 3.24Å; T64-I87 WeakPolarHBondContact O-CA 3.14Å; T64-S88 PolarHBondContact O-N 3.45Å | ||
| 65 | A | 97.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q89 | A65-Q89 CarbonylContact C-O 3.58Å; A65-Q89 VanDerWaalsContact CA-O 3.25Å; A65-Q89 WeakPolarHBondContact CA-O 3.33Å; A65-Q89 HydrophobicContact CB-CB 4.35Å |
| 66 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120 | 177 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | F71 L82 I87 Q89 I90 L91 A94 F95 | V66-F71 HydrophobicContact CG1-CD2 3.87Å; V66-F71 HydrophobicContact CG1-CE2 3.54Å; V66-F71 HydrophobicContact CG2-CE2 4.37Å; V66-L82 HydrophobicContact CG2-CD1 4.15Å; V66-I87 HydrophobicContact CG2-CD1 3.99Å; V66-I87 HydrophobicContact CG2-CG2 4.14Å; V66-Q89 PolarHBondContact N-O 3.16Å; V66-I90 HydrophobicContact CB-CG1 4.48Å; V66-I90 HydrophobicContact CB-CG2 4.5Å; V66-I90 HydrophobicContact CG1-CG2 4.43Å; V66-L91 WeakPolarHBondContact O-CB 3.46Å; V66-L91 WeakPolarHBondContact O-CD1 3.35Å; V66-L91 PolarHBondContact O-N 3.16Å; V66-A94 HydrophobicContact CG1-CB 3.83Å; V66-F95 HydrophobicContact CG1-CE1 3.88Å; V66-F95 HydrophobicContact CG1-CZ 3.98Å |
| 67 | R | 96.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | trans | -109 | 151.4 | -173.3 | -49.8 | 165.6 | -63.3 | -158 | -0.3 | 111.7 | K69 D70 L91 | R67-K69 HydrophobicContact CB-CG 4.34Å; R67-K69 PolarHBondContact O-N 3.48Å; R67-D70 WeakPolarHBondContact CA-OD2 3.45Å; R67-D70 VanDerWaalsContact CB-OD2 3.22Å; R67-D70 WeakPolarHBondContact CB-OD2 3.17Å; R67-D70 WeakPolarHBondContact CG-OD2 3.38Å; R67-D70 IonicContact CZ-OD1 3.72Å; R67-D70 VanDerWaalsContact CZ-OD1 3.29Å; R67-D70 IonicContact CZ-OD2 3.22Å; R67-D70 PolarHBondContact N-OD2 2.82Å; R67-D70 IonicContact NE-OD1 2.66Å; R67-D70 PolarHBondContact NE-OD1 3.16Å; R67-D70 IonicContact NE-OD2 2.92Å; R67-D70 PolarHBondContact NE-OD2 3.07Å; R67-D70 IonicContact NH2-OD1 3.92Å; R67-D70 PolarHBondContact NH2-OD1 3Å; R67-D70 IonicContact NH2-OD2 2.76Å; R67-D70 VanDerWaalsContact O-CB 3.3Å; R67-D70 WeakPolarHBondContact O-CB 3.02Å; R67-D70 PolarHBondContact O-N 2.98Å; R67-L91 HydrophobicContact CB-CD2 4.18Å; R67-L91 HydrophobicContact CG-CD1 4.24Å; R67-L91 HydrophobicContact CG-CD2 4.26Å | ||
| 68 | R | 94.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.5 | -45 | 174.6 | -171.8 | 77.9 | -173.5 | 85.5 | 6.3 | 114.4 | D70 A72 S93 S96 D97 | R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 PolarHBondContact O-N 2.84Å; R68-A72 WeakPolarHBondContact O-CB 3.49Å; R68-A72 PolarHBondContact O-N 2.78Å; R68-S93 WeakPolarHBondContact CD-O 3.36Å; R68-S93 PolarHBondContact NE-O 3.17Å; R68-S93 PolarHBondContact NH1-O 3.27Å; R68-S96 PolarHBondContact NH1-OG 3.09Å; R68-S96 PolarHBondContact NH2-OG 3.16Å; R68-D97 IonicContact CZ-OD1 3.14Å; R68-D97 IonicContact CZ-OD2 3.97Å; R68-D97 VanDerWaalsContact NH1-CG 3.35Å; R68-D97 IonicContact NH1-OD1 2.73Å; R68-D97 PolarHBondContact NH1-OD1 2.63Å; R68-D97 IonicContact NH1-OD2 3.29Å; R68-D97 PolarHBondContact NH1-OD2 3.18Å; R68-D97 IonicContact NH2-OD1 2.8Å; R68-D97 PolarHBondContact NH2-OD1 3.42Å; R68-D97 IonicContact NH2-OD2 3.31Å; R68-D97 PolarHBondContact NH2-OD2 3.1Å |
| 69 | K | 94.9 | Very high | 96.4 | Very high | 129 Ų | 129 | 46 Ų | 46 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.2 | -177.7 | 68.1 | -179.3 | -179.8 | -177.5 | 0 | 115.2 | R51 R67 | R51-K69 PolarHBondContact NH2-O 2.99Å; R67-K69 HydrophobicContact CB-CG 4.34Å; R67-K69 PolarHBondContact O-N 3.48Å |
| 70 | D | 96.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -44.9 | -171.6 | -63.5 | -23.8 | 0 | 0 | 0 | 110.1 | V45 R51 R67 R68 | V45-D70 HydrophobicContact CB-CB 3.8Å; V45-D70 HydrophobicContact CG1-CB 3.94Å; V45-D70 HydrophobicContact CG2-CB 4.05Å; R51-D70 PolarHBondContact NH1-O 2.78Å; R67-D70 WeakPolarHBondContact CA-OD2 3.45Å; R67-D70 VanDerWaalsContact CB-OD2 3.22Å; R67-D70 WeakPolarHBondContact CB-OD2 3.17Å; R67-D70 WeakPolarHBondContact CG-OD2 3.38Å; R67-D70 IonicContact CZ-OD1 3.72Å; R67-D70 VanDerWaalsContact CZ-OD1 3.29Å; R67-D70 IonicContact CZ-OD2 3.22Å; R67-D70 PolarHBondContact N-OD2 2.82Å; R67-D70 IonicContact NE-OD1 2.66Å; R67-D70 PolarHBondContact NE-OD1 3.16Å; R67-D70 IonicContact NE-OD2 2.92Å; R67-D70 PolarHBondContact NE-OD2 3.07Å; R67-D70 IonicContact NH2-OD1 3.92Å; R67-D70 PolarHBondContact NH2-OD1 3Å; R67-D70 IonicContact NH2-OD2 2.76Å; R67-D70 VanDerWaalsContact O-CB 3.3Å; R67-D70 WeakPolarHBondContact O-CB 3.02Å; R67-D70 PolarHBondContact O-N 2.98Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 PolarHBondContact O-N 2.84Å |
| 71 | F | 96.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -108.2 | 8.7 | 179.7 | -54.8 | -55.5 | 0 | 0 | 0 | 114.7 | V45 L56 L58 V66 N73 M74 L80 L82 F95 L98 | V45-F71 HydrophobicContact CG1-CE1 3.83Å; V45-F71 HydrophobicContact CG1-CZ 4.11Å; V45-F71 HydrophobicContact CG2-CE1 4.4Å; V45-F71 HydrophobicContact CG2-CE2 4.42Å; V45-F71 HydrophobicContact CG2-CZ 3.82Å; L56-F71 HydrophobicContact CD2-CD1 4.14Å; L56-F71 HydrophobicContact CD2-CE1 3.72Å; L58-F71 HydrophobicContact CD1-CE1 4.01Å; L58-F71 HydrophobicContact CD1-CZ 4.03Å; V66-F71 HydrophobicContact CG1-CD2 3.87Å; V66-F71 HydrophobicContact CG1-CE2 3.54Å; V66-F71 HydrophobicContact CG2-CE2 4.37Å; F71-N73 PolarHBondContact O-N 2.92Å; F71-M74 HydrophobicContact CD1-SD 4.14Å; F71-M74 WeakPolarHBondContact O-CB 3.38Å; F71-M74 WeakPolarHBondContact O-CG 3.16Å; F71-M74 PolarHBondContact O-N 2.93Å; F71-L80 HydrophobicContact CD1-CD2 4.38Å; F71-L80 HydrophobicContact CD2-CD2 4.27Å; F71-L80 HydrophobicContact CE1-CD1 3.94Å; F71-L80 HydrophobicContact CE1-CD2 4.22Å; F71-L80 HydrophobicContact CE2-CD2 4.08Å; F71-L80 HydrophobicContact CG-CD2 4.42Å; F71-L80 HydrophobicContact CZ-CD1 4.1Å; F71-L80 HydrophobicContact CZ-CD2 4.07Å; F71-L82 HydrophobicContact CE2-CD1 4.07Å; F71-L82 HydrophobicContact CZ-CD1 4.08Å; F71-L82 HydrophobicContact CZ-CD2 4.25Å; F71-F95 AromaticContact CD2-CD1 3.87Å; F71-F95 HydrophobicContact CD2-CD1 3.87Å; F71-F95 AromaticContact CD2-CE1 3.65Å; F71-F95 HydrophobicContact CD2-CE1 3.65Å; F71-F95 HydrophobicContact CE2-CD1 4.44Å; F71-F95 AromaticContact CE2-CE1 3.76Å; F71-F95 HydrophobicContact CE2-CE1 3.76Å; F71-L98 HydrophobicContact CB-CD1 4.18Å; F71-L98 HydrophobicContact CB-CD2 4.22Å; F71-L98 HydrophobicContact CB-CG 4.49Å |
| 72 | A | 95.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 138.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R51 R68 M74 D97 | R51-A72 WeakPolarHBondContact CD-O 3.42Å; R51-A72 PolarHBondContact NE-O 3.34Å; R51-A72 PolarHBondContact NH1-O 2.96Å; R68-A72 WeakPolarHBondContact O-CB 3.49Å; R68-A72 PolarHBondContact O-N 2.78Å; A72-M74 PolarHBondContact O-N 3.09Å; A72-M74 VanDerWaalsContact O-N 3.16Å; A72-D97 VanDerWaalsContact CA-OD2 3.3Å; A72-D97 WeakPolarHBondContact CA-OD2 3.17Å |
| 73 | N | 94.6 | Very high | 96.6 | Very high | 117 Ų | 117 | 37.2 Ų | 37.2 | 63% | 0.626 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 17.3 | 178.4 | -60.8 | -18 | 0 | 0 | 0 | 116.3 | F71 T75 D97 | F71-N73 PolarHBondContact O-N 2.92Å; N73-T75 PolarHBondContact O-N 3.34Å; N73-D97 PolarHBondContact N-OD2 3.14Å; N73-D97 VanDerWaalsContact N-OD2 3.13Å |
| 74 | M | 95 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -83.7 | 57.4 | 177.5 | -63.2 | -171 | 66.5 | 0 | 0 | 112.7 | I49 R51 T53 L56 F71 A72 S76 L77 L98 | I49-M74 HydrophobicContact CG2-CE 3.61Å; I49-M74 HydrophobicContact CG2-SD 4.04Å; R51-M74 HydrophobicContact CB-CG 4.49Å; R51-M74 PolarHBondContact NH1-SD 2.97Å; R51-M74 VanDerWaalsContact NH1-SD 3.38Å; T53-M74 HydrophobicContact CG2-CE 4.44Å; L56-M74 HydrophobicContact CD2-CE 4.1Å; L56-M74 HydrophobicContact CD2-SD 4.5Å; F71-M74 HydrophobicContact CD1-SD 4.14Å; F71-M74 WeakPolarHBondContact O-CB 3.38Å; F71-M74 WeakPolarHBondContact O-CG 3.16Å; F71-M74 PolarHBondContact O-N 2.93Å; A72-M74 PolarHBondContact O-N 3.09Å; A72-M74 VanDerWaalsContact O-N 3.16Å; M74-S76 PolarHBondContact O-N 3.14Å; M74-L77 HydrophobicContact CB-CB 4.32Å; M74-L77 HydrophobicContact CE-CD1 4.2Å; M74-L77 HydrophobicContact CE-CD2 4.29Å; M74-L77 WeakPolarHBondContact O-CB 3.31Å; M74-L77 PolarHBondContact O-N 3.17Å; M74-L98 HydrophobicContact CB-CD2 3.66Å; M74-L98 WeakPolarHBondContact O-CD2 3.32Å | ||
| 75 | T | 93.7 | Very high | 96.7 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.1 | -170.8 | 60.5 | 0 | 0 | 0 | 0 | 114.9 | N73 R100 | N73-T75 PolarHBondContact O-N 3.34Å; T75-R100 VanDerWaalsContact O-CD 3.27Å; T75-R100 WeakPolarHBondContact O-CD 3.49Å; T75-R100 WeakPolarHBondContact O-CG 3.48Å |
| 76 | S | 93.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 26% | 0.259 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -8.3 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | T53 M74 L78 | T53-S76 CarbonylContact O-C 3.45Å; M74-S76 PolarHBondContact O-N 3.14Å; S76-L78 PolarHBondContact O-N 3.31Å |
| 77 | L | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -69.7 | 126.5 | -173.5 | -165.3 | 68 | 0 | 0 | 0 | 110.9 | T53 L56 M74 L80 L98 R100 L101 | T53-L77 HydrophobicContact CG2-CD1 4.12Å; T53-L77 WeakPolarHBondContact O-CA 3.46Å; T53-L77 WeakPolarHBondContact O-CD1 3.4Å; T53-L77 PolarHBondContact O-N 2.85Å; L56-L77 HydrophobicContact CB-CD1 3.76Å; M74-L77 HydrophobicContact CB-CB 4.32Å; M74-L77 HydrophobicContact CE-CD1 4.2Å; M74-L77 HydrophobicContact CE-CD2 4.29Å; M74-L77 WeakPolarHBondContact O-CB 3.31Å; M74-L77 PolarHBondContact O-N 3.17Å; L77-L80 HydrophobicContact CD2-CB 4.09Å; L77-L80 HydrophobicContact CD2-CD1 4.47Å; L77-L80 HydrophobicContact CD2-CD2 4.36Å; L77-L98 HydrophobicContact CB-CD2 4.34Å; L77-L98 HydrophobicContact CD2-CD1 4.27Å; L77-L98 HydrophobicContact CD2-CD2 4.01Å; L77-R100 CarbonylContact O-C 3.58Å; L77-L101 HydrophobicContact CB-CD1 4.44Å; L77-L101 HydrophobicContact CD2-CD1 4.06Å; L77-L101 HydrophobicContact CG-CD1 3.91Å; L77-L101 WeakPolarHBondContact O-CA 3.34Å; L77-L101 PolarHBondContact O-N 2.8Å | ||
| 78 | L | 97.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 15% | 0.152 | 21% | 0.205 | C | C | . | . | trans | -106.6 | -37.9 | 177.2 | -61.8 | -177.4 | 0 | 0 | 0 | 111.8 | V54 S76 R100 R102 A103 | V54-L78 HydrophobicContact CG1-CB 4.22Å; V54-L78 HydrophobicContact CG1-CD1 3.73Å; V54-L78 HydrophobicContact CG1-CG 3.88Å; V54-L78 PolarHBondContact O-N 2.93Å; S76-L78 PolarHBondContact O-N 3.31Å; L78-R100 HydrophobicContact CD2-CB 3.98Å; L78-R100 WeakPolarHBondContact CD2-O 3.35Å; L78-R102 PolarHBondContact O-N 3.24Å; L78-A103 PolarHBondContact O-N 3.38Å; L78-A103 VanDerWaalsContact O-N 3.14Å | ||
| 79 | H | 98.2 | Very high | 96.8 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 33% | 0.329 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.7 | -177.3 | -51.1 | 136.2 | 0 | 0 | 0 | 110.8 | V54 E55 L56 | V54-H79 PolarHBondContact O-N 3.12Å; E55-H79 WeakPolarHBondContact CA-O 3.26Å; E55-H79 HydrophobicContact CG-CB 4.26Å; L56-H79 PolarHBondContact N-O 3.21Å |
| 80 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 118.7 | 176.5 | 178.1 | 55.5 | 0 | 0 | 0 | 109.9 | L56 F71 L77 L82 F95 L98 L101 A103 L104 H105 | L56-L80 HydrophobicContact CB-CD1 4.08Å; L56-L80 HydrophobicContact CD2-CD1 3.98Å; L56-L80 HydrophobicContact CG-CD1 4.01Å; F71-L80 HydrophobicContact CD1-CD2 4.38Å; F71-L80 HydrophobicContact CD2-CD2 4.27Å; F71-L80 HydrophobicContact CE1-CD1 3.94Å; F71-L80 HydrophobicContact CE1-CD2 4.22Å; F71-L80 HydrophobicContact CE2-CD2 4.08Å; F71-L80 HydrophobicContact CG-CD2 4.42Å; F71-L80 HydrophobicContact CZ-CD1 4.1Å; F71-L80 HydrophobicContact CZ-CD2 4.07Å; L77-L80 HydrophobicContact CD2-CB 4.09Å; L77-L80 HydrophobicContact CD2-CD1 4.47Å; L77-L80 HydrophobicContact CD2-CD2 4.36Å; L80-L82 HydrophobicContact CD1-CD1 4.47Å; L80-L82 HydrophobicContact CD1-CG 4.31Å; L80-L82 HydrophobicContact CD2-CD1 4.15Å; L80-L82 HydrophobicContact CG-CD1 4.2Å; L80-L82 HydrophobicContact CG-CG 4.37Å; L80-F95 HydrophobicContact CD2-CD1 4.33Å; L80-F95 HydrophobicContact CD2-CE1 4Å; L80-L98 HydrophobicContact CD2-CD1 4.06Å; L80-L101 HydrophobicContact CB-CD1 3.82Å; L80-L101 HydrophobicContact CB-CD2 4.43Å; L80-A103 PolarHBondContact N-O 3.49Å; L80-L104 HydrophobicContact CB-CD1 4.19Å; L80-L104 HydrophobicContact CD2-CD1 3.93Å; L80-L104 HydrophobicContact CG-CD1 4.05Å; L80-H105 PolarHBondContact O-N 3.39Å |
| 81 | T | 98.5 | Very high | 97 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.129 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.6 | 179.6 | -45.2 | 0 | 0 | 0 | 0 | 110.7 | L56 L58 Q59 S83 H105 | L56-T81 PolarHBondContact O-N 2.88Å; L58-T81 CarbonylContact C-O 3.51Å; L58-T81 WeakPolarHBondContact CA-O 3.12Å; L58-T81 PolarHBondContact N-O 2.87Å; Q59-T81 HydrophobicContact CB-CG2 4.05Å; T81-S83 WeakPolarHBondContact CG2-OG 3.08Å; T81-H105 HydrophobicContact CG2-CB 4.06Å |
| 82 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -112.9 | 11 | 175.6 | -74.6 | 162 | 0 | 0 | 0 | 112.3 | L58 I63 V66 F71 L80 N85 I87 F95 H105 L106 N109 | L58-L82 HydrophobicContact CB-CD2 3.94Å; L58-L82 HydrophobicContact CD1-CD2 3.77Å; L58-L82 HydrophobicContact CG-CD2 4.48Å; I63-L82 HydrophobicContact CD1-CD2 4.38Å; V66-L82 HydrophobicContact CG2-CD1 4.15Å; F71-L82 HydrophobicContact CE2-CD1 4.07Å; F71-L82 HydrophobicContact CZ-CD1 4.08Å; F71-L82 HydrophobicContact CZ-CD2 4.25Å; L80-L82 HydrophobicContact CD1-CD1 4.47Å; L80-L82 HydrophobicContact CD1-CG 4.31Å; L80-L82 HydrophobicContact CD2-CD1 4.15Å; L80-L82 HydrophobicContact CG-CD1 4.2Å; L80-L82 HydrophobicContact CG-CG 4.37Å; L82-N85 PolarHBondContact O-ND2 2.81Å; L82-I87 HydrophobicContact CB-CD1 3.9Å; L82-I87 HydrophobicContact CD1-CD1 4.39Å; L82-I87 HydrophobicContact CD2-CD1 4.01Å; L82-I87 HydrophobicContact CG-CD1 4.33Å; L82-F95 HydrophobicContact CD1-CE1 4.44Å; L82-F95 HydrophobicContact CD1-CZ 4.46Å; L82-H105 WeakPolarHBondContact CA-O 3.49Å; L82-H105 WeakPolarHBondContact CB-O 3.3Å; L82-H105 PolarHBondContact N-O 2.83Å; L82-L106 HydrophobicContact CB-CD2 3.88Å; L82-L106 HydrophobicContact CD1-CD2 3.81Å; L82-N109 PolarHBondContact O-ND2 2.76Å | ||
| 83 | S | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -47 | 147.5 | 178.7 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | Q59 E60 T81 N85 H105 D107 | Q59-S83 CarbonylContact C-O 3.53Å; Q59-S83 WeakPolarHBondContact CA-O 3.07Å; Q59-S83 WeakPolarHBondContact CB-O 3.29Å; E60-S83 PolarHBondContact N-O 3.46Å; E60-S83 VanDerWaalsContact N-O 3.1Å; T81-S83 WeakPolarHBondContact CG2-OG 3.08Å; S83-N85 PolarHBondContact O-N 3.05Å; S83-N85 PolarHBondContact O-ND2 2.54Å; S83-H105 WeakPolarHBondContact OG-CB 3.07Å; S83-D107 CarbonylContact C-O 3.6Å; S83-D107 VanDerWaalsContact CA-O 3.23Å; S83-D107 WeakPolarHBondContact CA-O 3.34Å; S83-D107 WeakPolarHBondContact CB-OD1 3.49Å; S83-D107 VanDerWaalsContact CB-OD2 3.28Å; S83-D107 WeakPolarHBondContact CB-OD2 3.44Å; S83-D107 PolarHBondContact OG-OD1 2.84Å | ||
| 84 | R | 98.4 | Very high | 97.1 | Very high | 112 Ų | 112 | 35.7 Ų | 35.7 | 42% | 0.423 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 52.3 | 57.1 | 173.6 | -64.9 | -175.7 | -67.1 | -75.1 | 7.8 | 112 | E60 N61 D107 S108 | E60-R84 WeakPolarHBondContact CA-O 3.45Å; E60-R84 HydrophobicContact CG-CB 3.79Å; E60-R84 HydrophobicContact CG-CG 4.5Å; E60-R84 VanDerWaalsContact CG-NE 3.29Å; E60-R84 PolarHBondContact N-O 2.89Å; E60-R84 VanDerWaalsContact N-O 3.13Å; E60-R84 IonicContact OE1-CZ 3.44Å; E60-R84 IonicContact OE1-NE 2.67Å; E60-R84 PolarHBondContact OE1-NE 2.8Å; E60-R84 VanDerWaalsContact OE1-NE 3.12Å; E60-R84 IonicContact OE1-NH2 3.29Å; E60-R84 PolarHBondContact OE1-NH2 2.79Å; N61-R84 PolarHBondContact N-O 2.84Å; R84-D107 PolarHBondContact N-O 2.87Å; R84-D107 IonicContact NH1-OD2 2.75Å; R84-S108 WeakPolarHBondContact CA-O 3.48Å; R84-S108 PolarHBondContact N-O 2.83Å |
| 85 | N | 98.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -123.1 | -169.8 | 172.2 | -87.8 | -88.9 | 0 | 0 | 0 | 109.6 | L58 N61 F62 I63 L82 S83 I87 S108 N109 | L58-N85 PolarHBondContact O-ND2 2.8Å; N61-N85 WeakPolarHBondContact CA-OD1 3.3Å; N61-N85 WeakPolarHBondContact CB-OD1 3.27Å; N61-N85 WeakPolarHBondContact O-CA 3.36Å; N61-N85 PolarHBondContact O-OD1 2.84Å; F62-N85 PolarHBondContact N-OD1 2.85Å; I63-N85 HydrophobicContact CB-CB 4.5Å; I63-N85 WeakPolarHBondContact CB-OD1 3.34Å; I63-N85 WeakPolarHBondContact CG1-OD1 3.48Å; I63-N85 PolarHBondContact N-OD1 2.91Å; L82-N85 PolarHBondContact O-ND2 2.81Å; S83-N85 PolarHBondContact O-N 3.05Å; S83-N85 PolarHBondContact O-ND2 2.54Å; N85-I87 HydrophobicContact CB-CD1 4.07Å; N85-I87 HydrophobicContact CB-CG1 3.88Å; N85-S108 PolarHBondContact N-O 2.85Å; N85-N109 WeakPolarHBondContact CA-OD1 3.48Å; N85-N109 WeakPolarHBondContact CB-OD1 3.26Å; N85-N109 PolarHBondContact N-OD1 2.04Å; N85-N109 PolarHBondContact O-OD1 2.84Å |
| 86 | T | 98 | Very high | 97.4 | Very high | 35 Ų | 35 | 33 Ų | 33 | 22% | 0.215 | 18% | 0.181 | C | C | . | . | trans | -112.1 | 28.5 | 176.5 | 49 | 0 | 0 | 0 | 0 | 111.6 | F62 I63 S88 | F62-T86 VanDerWaalsContact C-OG1 3.29Å; F62-T86 PolarHBondContact O-OG1 3.48Å; I63-T86 CarbonylContact O-C 3.38Å; I63-T86 PolarHBondContact O-N 3.45Å; I63-T86 VanDerWaalsContact O-N 3.15Å; I63-T86 PolarHBondContact O-OG1 3.34Å; T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 VanDerWaalsContact O-N 3.14Å | ||
| 87 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -68.9 | 113.9 | -171.3 | -55.9 | 166.4 | 0 | 0 | 0 | 109.2 | I63 T64 V66 L82 N85 I90 L106 N109 R110 L111 | I63-I87 HydrophobicContact CB-CG1 4.33Å; I63-I87 HydrophobicContact CG2-CG1 4.2Å; I63-I87 WeakPolarHBondContact O-CA 3.28Å; I63-I87 WeakPolarHBondContact O-CG1 3.22Å; I63-I87 PolarHBondContact O-N 3.44Å; T64-I87 WeakPolarHBondContact O-CA 3.14Å; V66-I87 HydrophobicContact CG2-CD1 3.99Å; V66-I87 HydrophobicContact CG2-CG2 4.14Å; L82-I87 HydrophobicContact CB-CD1 3.9Å; L82-I87 HydrophobicContact CD1-CD1 4.39Å; L82-I87 HydrophobicContact CD2-CD1 4.01Å; L82-I87 HydrophobicContact CG-CD1 4.33Å; N85-I87 HydrophobicContact CB-CD1 4.07Å; N85-I87 HydrophobicContact CB-CG1 3.88Å; I87-I90 HydrophobicContact CG2-CG1 4.47Å; I87-L106 HydrophobicContact CD1-CD2 4.3Å; I87-N109 HydrophobicContact CB-CB 4.38Å; I87-N109 VanDerWaalsContact CB-OD1 3.27Å; I87-N109 WeakPolarHBondContact CB-OD1 3.48Å; I87-N109 VanDerWaalsContact CG1-OD1 3.28Å; I87-N109 WeakPolarHBondContact CG1-OD1 3.01Å; I87-N109 PolarHBondContact N-OD1 2.89Å; I87-R110 CarbonylContact O-C 3.54Å; I87-R110 WeakPolarHBondContact O-CA 3.01Å; I87-R110 PolarHBondContact O-N 2.9Å; I87-L111 HydrophobicContact CG2-CD2 3.88Å; I87-L111 PolarHBondContact O-N 2.84Å | ||
| 88 | S | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 32.5 Ų | 32.5 | 47% | 0.469 | 18% | 0.175 | S | C | . | . | trans | -105.5 | -16.3 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | T64 T86 R110 | T64-S88 PolarHBondContact O-N 3.45Å; T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 VanDerWaalsContact O-N 3.14Å; S88-R110 WeakPolarHBondContact CA-O 3.39Å | ||
| 89 | Q | 96.2 | Very high | 97.4 | Very high | 114 Ų | 114 | 38.9 Ų | 38.9 | 53% | 0.533 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.4 | -177.9 | -167.9 | 179.2 | 13.4 | 0 | 0 | 112.7 | A65 V66 L91 | A65-Q89 CarbonylContact C-O 3.58Å; A65-Q89 VanDerWaalsContact CA-O 3.25Å; A65-Q89 WeakPolarHBondContact CA-O 3.33Å; A65-Q89 HydrophobicContact CB-CB 4.35Å; V66-Q89 PolarHBondContact N-O 3.16Å; Q89-L91 HydrophobicContact CG-CD1 4.35Å |
| 90 | I | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129 | 165.1 | -56.9 | 172.4 | 0 | 0 | 0 | 106.1 | V66 I87 A94 F95 L106 L111 H118 F119 | V66-I90 HydrophobicContact CB-CG1 4.48Å; V66-I90 HydrophobicContact CB-CG2 4.5Å; V66-I90 HydrophobicContact CG1-CG2 4.43Å; I87-I90 HydrophobicContact CG2-CG1 4.47Å; I90-A94 HydrophobicContact CG2-CB 4.01Å; I90-F95 HydrophobicContact CD1-CE2 4.14Å; I90-F95 HydrophobicContact CD1-CZ 4.5Å; I90-F95 HydrophobicContact CG2-CE2 3.88Å; I90-F95 HydrophobicContact CG2-CZ 4.3Å; I90-L106 HydrophobicContact CD1-CD1 4.02Å; I90-L111 HydrophobicContact CD1-CD1 4Å; I90-L111 HydrophobicContact CD1-CD2 3.92Å; I90-L111 HydrophobicContact CG1-CD2 3.85Å; I90-H118 HydrophobicContact CG2-CB 4.43Å; I90-F119 HydrophobicContact CD1-CE1 4.48Å |
| 91 | L | 96.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 29% | 0.293 | 21% | 0.206 | S | C | . | . | trans | -78 | 152.3 | 176.8 | -86.7 | 69.8 | 0 | 0 | 0 | 110.8 | V66 R67 Q89 S93 A94 | V66-L91 WeakPolarHBondContact O-CB 3.46Å; V66-L91 WeakPolarHBondContact O-CD1 3.35Å; V66-L91 PolarHBondContact O-N 3.16Å; R67-L91 HydrophobicContact CB-CD2 4.18Å; R67-L91 HydrophobicContact CG-CD1 4.24Å; R67-L91 HydrophobicContact CG-CD2 4.26Å; Q89-L91 HydrophobicContact CG-CD1 4.35Å; L91-S93 PolarHBondContact O-N 2.87Å; L91-A94 VanDerWaalsContact O-CB 3.23Å; L91-A94 WeakPolarHBondContact O-CB 3.49Å; L91-A94 PolarHBondContact O-N 3.1Å; L91-A94 VanDerWaalsContact O-N 3.11Å | ||
| 92 | P | 95.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 46.4 Ų | 46.4 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | 130.5 | 173.7 | -33.9 | 37 | 0 | 0 | 0 | 114.1 | A94 D117 | P92-A94 PolarHBondContact O-N 3.49Å; P92-A94 VanDerWaalsContact O-N 3.13Å; P92-D117 WeakPolarHBondContact CA-OD2 3.32Å; P92-D117 WeakPolarHBondContact CB-OD2 3.4Å; P92-D117 WeakPolarHBondContact CG-OD2 3.23Å |
| 93 | S | 95.8 | Very high | 97.3 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 24.1 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 114.9 | R68 L91 F95 S96 D117 | R68-S93 WeakPolarHBondContact CD-O 3.36Å; R68-S93 PolarHBondContact NE-O 3.17Å; R68-S93 PolarHBondContact NH1-O 3.27Å; L91-S93 PolarHBondContact O-N 2.87Å; S93-F95 PolarHBondContact O-N 3.25Å; S93-F95 VanDerWaalsContact O-N 3.08Å; S93-S96 PolarHBondContact O-N 3.31Å; S93-S96 VanDerWaalsContact O-N 3.12Å; S93-S96 PolarHBondContact O-OG 2.69Å; S93-D117 VanDerWaalsContact CA-O 3.32Å; S93-D117 WeakPolarHBondContact CA-O 3.32Å; S93-D117 PolarHBondContact N-O 3.23Å |
| 94 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V66 I90 L91 P92 | V66-A94 HydrophobicContact CG1-CB 3.83Å; I90-A94 HydrophobicContact CG2-CB 4.01Å; L91-A94 VanDerWaalsContact O-CB 3.23Å; L91-A94 WeakPolarHBondContact O-CB 3.49Å; L91-A94 PolarHBondContact O-N 3.1Å; L91-A94 VanDerWaalsContact O-N 3.11Å; P92-A94 PolarHBondContact O-N 3.49Å; P92-A94 VanDerWaalsContact O-N 3.13Å |
| 95 | F | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 5.9 | 179.3 | -53.8 | -53.8 | 0 | 0 | 0 | 114.6 | V66 F71 L80 L82 I90 S93 D97 L98 L104 L106 H118 F119 L122 | V66-F95 HydrophobicContact CG1-CE1 3.88Å; V66-F95 HydrophobicContact CG1-CZ 3.98Å; F71-F95 AromaticContact CD2-CD1 3.87Å; F71-F95 HydrophobicContact CD2-CD1 3.87Å; F71-F95 AromaticContact CD2-CE1 3.65Å; F71-F95 HydrophobicContact CD2-CE1 3.65Å; F71-F95 HydrophobicContact CE2-CD1 4.44Å; F71-F95 AromaticContact CE2-CE1 3.76Å; F71-F95 HydrophobicContact CE2-CE1 3.76Å; L80-F95 HydrophobicContact CD2-CD1 4.33Å; L80-F95 HydrophobicContact CD2-CE1 4Å; L82-F95 HydrophobicContact CD1-CE1 4.44Å; L82-F95 HydrophobicContact CD1-CZ 4.46Å; I90-F95 HydrophobicContact CD1-CE2 4.14Å; I90-F95 HydrophobicContact CD1-CZ 4.5Å; I90-F95 HydrophobicContact CG2-CE2 3.88Å; I90-F95 HydrophobicContact CG2-CZ 4.3Å; S93-F95 PolarHBondContact O-N 3.25Å; S93-F95 VanDerWaalsContact O-N 3.08Å; F95-D97 PolarHBondContact O-N 2.99Å; F95-L98 HydrophobicContact CB-CD1 4.02Å; F95-L98 HydrophobicContact CB-CG 4.45Å; F95-L98 HydrophobicContact CD1-CD1 3.74Å; F95-L98 HydrophobicContact CG-CD1 4.3Å; F95-L98 VanDerWaalsContact O-CB 3.28Å; F95-L98 WeakPolarHBondContact O-CB 3.41Å; F95-L98 WeakPolarHBondContact O-CG 3.13Å; F95-L98 PolarHBondContact O-N 2.66Å; F95-L104 HydrophobicContact CD2-CD2 4.23Å; F95-L104 HydrophobicContact CE2-CD2 4.07Å; F95-L104 HydrophobicContact CZ-CD1 4.43Å; F95-L104 HydrophobicContact CZ-CD2 4.44Å; F95-L106 HydrophobicContact CE2-CD1 4.43Å; F95-H118 VanDerWaalsContact CD2-O 3.26Å; F95-H118 WeakPolarHBondContact CD2-O 3.32Å; F95-F119 HydrophobicContact CD2-CD1 4.01Å; F95-F119 HydrophobicContact CD2-CE1 4.47Å; F95-F119 HydrophobicContact CE2-CD1 4.14Å; F95-F119 HydrophobicContact CE2-CE1 4.13Å; F95-L122 HydrophobicContact CB-CD1 4.18Å; F95-L122 HydrophobicContact CB-CD2 3.93Å; F95-L122 HydrophobicContact CB-CG 4.11Å; F95-L122 HydrophobicContact CD2-CD1 4.43Å |
| 96 | S | 96.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17 | -166.9 | 69.1 | 0 | 0 | 0 | 0 | 117 | R68 S93 K120 | R68-S96 PolarHBondContact NH1-OG 3.09Å; R68-S96 PolarHBondContact NH2-OG 3.16Å; S93-S96 PolarHBondContact O-N 3.31Å; S93-S96 VanDerWaalsContact O-N 3.12Å; S93-S96 PolarHBondContact O-OG 2.69Å; S96-K120 WeakPolarHBondContact CA-O 3.2Å |
| 97 | D | 96.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.6 | -178.6 | -45.2 | -25.9 | 0 | 0 | 0 | 111.3 | R68 A72 N73 F95 R99 | R68-D97 IonicContact CZ-OD1 3.14Å; R68-D97 IonicContact CZ-OD2 3.97Å; R68-D97 VanDerWaalsContact NH1-CG 3.35Å; R68-D97 IonicContact NH1-OD1 2.73Å; R68-D97 PolarHBondContact NH1-OD1 2.63Å; R68-D97 IonicContact NH1-OD2 3.29Å; R68-D97 PolarHBondContact NH1-OD2 3.18Å; R68-D97 IonicContact NH2-OD1 2.8Å; R68-D97 PolarHBondContact NH2-OD1 3.42Å; R68-D97 IonicContact NH2-OD2 3.31Å; R68-D97 PolarHBondContact NH2-OD2 3.1Å; A72-D97 VanDerWaalsContact CA-OD2 3.3Å; A72-D97 WeakPolarHBondContact CA-OD2 3.17Å; N73-D97 PolarHBondContact N-OD2 3.14Å; N73-D97 VanDerWaalsContact N-OD2 3.13Å; F95-D97 PolarHBondContact O-N 2.99Å; D97-R99 PolarHBondContact O-N 3.07Å |
| 98 | L | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -83.2 | 44.1 | -175 | -53.3 | -173.8 | 0 | 0 | 0 | 112.5 | F71 M74 L77 L80 F95 R100 L101 L122 | F71-L98 HydrophobicContact CB-CD1 4.18Å; F71-L98 HydrophobicContact CB-CD2 4.22Å; F71-L98 HydrophobicContact CB-CG 4.49Å; M74-L98 HydrophobicContact CB-CD2 3.66Å; M74-L98 WeakPolarHBondContact O-CD2 3.32Å; L77-L98 HydrophobicContact CB-CD2 4.34Å; L77-L98 HydrophobicContact CD2-CD1 4.27Å; L77-L98 HydrophobicContact CD2-CD2 4.01Å; L80-L98 HydrophobicContact CD2-CD1 4.06Å; F95-L98 HydrophobicContact CB-CD1 4.02Å; F95-L98 HydrophobicContact CB-CG 4.45Å; F95-L98 HydrophobicContact CD1-CD1 3.74Å; F95-L98 HydrophobicContact CG-CD1 4.3Å; F95-L98 VanDerWaalsContact O-CB 3.28Å; F95-L98 WeakPolarHBondContact O-CB 3.41Å; F95-L98 WeakPolarHBondContact O-CG 3.13Å; F95-L98 PolarHBondContact O-N 2.66Å; L98-R100 PolarHBondContact O-N 2.84Å; L98-L101 HydrophobicContact CB-CB 4.05Å; L98-L101 HydrophobicContact CB-CD2 4.45Å; L98-L101 HydrophobicContact CD1-CD2 4.13Å; L98-L101 WeakPolarHBondContact O-CB 3.38Å; L98-L101 PolarHBondContact O-N 2.75Å; L98-L122 HydrophobicContact CB-CD2 3.84Å | ||
| 99 | R | 94.7 | Very high | 97.4 | Very high | 163 Ų | 163 | 41.5 Ų | 41.5 | 62% | 0.615 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.3 | -171 | -64 | 178.6 | 179.5 | -117.8 | -0.3 | 115.2 | D97 N124 | D97-R99 PolarHBondContact O-N 3.07Å; R99-N124 WeakPolarHBondContact O-CB 3.44Å; R99-N124 PolarHBondContact O-ND2 3.23Å |
| 100 | R | 96.6 | Very high | 97.5 | Very high | 139 Ų | 139 | 42.6 Ų | 42.6 | 53% | 0.525 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2.7 | 178.6 | -66.5 | -172.9 | 63.7 | 178.7 | -2.2 | 113.8 | T75 L77 L78 L98 R102 | T75-R100 VanDerWaalsContact O-CD 3.27Å; T75-R100 WeakPolarHBondContact O-CD 3.49Å; T75-R100 WeakPolarHBondContact O-CG 3.48Å; L77-R100 CarbonylContact O-C 3.58Å; L78-R100 HydrophobicContact CD2-CB 3.98Å; L78-R100 WeakPolarHBondContact CD2-O 3.35Å; L98-R100 PolarHBondContact O-N 2.84Å; R100-R102 PolarHBondContact O-N 3.31Å |
| 101 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -61.3 | 131.7 | -176.6 | -164 | 75.3 | 0 | 0 | 0 | 110.1 | L77 L80 L98 L104 L122 N124 L125 | L77-L101 HydrophobicContact CB-CD1 4.44Å; L77-L101 HydrophobicContact CD2-CD1 4.06Å; L77-L101 HydrophobicContact CG-CD1 3.91Å; L77-L101 WeakPolarHBondContact O-CA 3.34Å; L77-L101 PolarHBondContact O-N 2.8Å; L80-L101 HydrophobicContact CB-CD1 3.82Å; L80-L101 HydrophobicContact CB-CD2 4.43Å; L98-L101 HydrophobicContact CB-CB 4.05Å; L98-L101 HydrophobicContact CB-CD2 4.45Å; L98-L101 HydrophobicContact CD1-CD2 4.13Å; L98-L101 WeakPolarHBondContact O-CB 3.38Å; L98-L101 PolarHBondContact O-N 2.75Å; L101-L104 HydrophobicContact CD2-CB 3.96Å; L101-L104 HydrophobicContact CD2-CD1 4.35Å; L101-L122 HydrophobicContact CB-CD2 4.05Å; L101-L122 HydrophobicContact CD2-CD2 3.71Å; L101-N124 CarbonylContact O-C 3.56Å; L101-N124 VanDerWaalsContact O-O 3.11Å; L101-L125 HydrophobicContact CD2-CD1 4.18Å; L101-L125 HydrophobicContact CG-CD1 4.32Å; L101-L125 WeakPolarHBondContact O-CA 3.47Å; L101-L125 PolarHBondContact O-N 3.04Å | ||
| 102 | R | 98.4 | Very high | 97.6 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | trans | -110.5 | -35.6 | 179.9 | -66.3 | -179.2 | 176.6 | -173 | -4.1 | 112.3 | L78 R100 R126 H127 | L78-R102 PolarHBondContact O-N 3.24Å; R100-R102 PolarHBondContact O-N 3.31Å; R102-R126 WeakPolarHBondContact O-CA 3.38Å; R102-R126 WeakPolarHBondContact O-CB 3.25Å; R102-R126 PolarHBondContact O-N 3.29Å; R102-H127 PolarHBondContact O-N 2.02Å | ||
| 103 | A | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L78 L80 H127 | L78-A103 PolarHBondContact O-N 3.38Å; L78-A103 VanDerWaalsContact O-N 3.14Å; L80-A103 PolarHBondContact N-O 3.49Å; A103-H127 WeakPolarHBondContact CA-O 3.01Å; A103-H127 HydrophobicContact CB-CB 4.24Å |
| 104 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.6 | 171.8 | 179.2 | 57 | 0 | 0 | 0 | 108.9 | L80 F95 L101 L106 F119 L122 L125 H127 L128 I129 | L80-L104 HydrophobicContact CB-CD1 4.19Å; L80-L104 HydrophobicContact CD2-CD1 3.93Å; L80-L104 HydrophobicContact CG-CD1 4.05Å; F95-L104 HydrophobicContact CD2-CD2 4.23Å; F95-L104 HydrophobicContact CE2-CD2 4.07Å; F95-L104 HydrophobicContact CZ-CD1 4.43Å; F95-L104 HydrophobicContact CZ-CD2 4.44Å; L101-L104 HydrophobicContact CD2-CB 3.96Å; L101-L104 HydrophobicContact CD2-CD1 4.35Å; L104-L106 HydrophobicContact CD1-CD1 4.29Å; L104-L106 HydrophobicContact CD1-CG 4.2Å; L104-L106 HydrophobicContact CD2-CD1 3.92Å; L104-L106 HydrophobicContact CG-CD1 3.99Å; L104-L106 HydrophobicContact CG-CG 4.22Å; L104-F119 HydrophobicContact CD2-CD1 4.09Å; L104-F119 HydrophobicContact CD2-CE1 3.97Å; L104-L122 HydrophobicContact CD2-CD1 3.82Å; L104-L125 HydrophobicContact CB-CD1 3.85Å; L104-H127 PolarHBondContact N-O 3.27Å; L104-L128 HydrophobicContact CB-CD1 4.29Å; L104-L128 HydrophobicContact CD2-CD1 4.15Å; L104-L128 HydrophobicContact CG-CD1 4.3Å; L104-I129 PolarHBondContact O-N 2.84Å |
| 105 | H | 98.8 | Very high | 97.8 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.3 | 175.4 | -64.6 | -121.4 | 0 | 0 | 0 | 109.7 | L80 T81 L82 S83 D107 | L80-H105 PolarHBondContact O-N 3.39Å; T81-H105 HydrophobicContact CG2-CB 4.06Å; L82-H105 WeakPolarHBondContact CA-O 3.49Å; L82-H105 WeakPolarHBondContact CB-O 3.3Å; L82-H105 PolarHBondContact N-O 2.83Å; S83-H105 WeakPolarHBondContact OG-CB 3.07Å; H105-D107 IonicContact ND1-OD1 3.05Å |
| 106 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -122 | 15.9 | 176.2 | -76.9 | 164.2 | 0 | 0 | 0 | 111 | L82 I87 I90 F95 L104 N109 L111 F119 I129 L130 N133 | L82-L106 HydrophobicContact CB-CD2 3.88Å; L82-L106 HydrophobicContact CD1-CD2 3.81Å; I87-L106 HydrophobicContact CD1-CD2 4.3Å; I90-L106 HydrophobicContact CD1-CD1 4.02Å; F95-L106 HydrophobicContact CE2-CD1 4.43Å; L104-L106 HydrophobicContact CD1-CD1 4.29Å; L104-L106 HydrophobicContact CD1-CG 4.2Å; L104-L106 HydrophobicContact CD2-CD1 3.92Å; L104-L106 HydrophobicContact CG-CD1 3.99Å; L104-L106 HydrophobicContact CG-CG 4.22Å; L106-N109 WeakPolarHBondContact O-CB 3.46Å; L106-N109 PolarHBondContact O-ND2 2.91Å; L106-L111 HydrophobicContact CB-CD1 4.25Å; L106-L111 HydrophobicContact CD1-CD1 4.39Å; L106-F119 HydrophobicContact CD1-CE1 3.79Å; L106-F119 HydrophobicContact CD1-CZ 4.19Å; L106-I129 PolarHBondContact N-O 2.8Å; L106-L130 HydrophobicContact CB-CD2 3.78Å; L106-L130 HydrophobicContact CD1-CD2 3.94Å; L106-N133 PolarHBondContact O-ND2 2.75Å | ||
| 107 | D | 98.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | trans | -62 | 154.9 | -177.8 | 63.1 | -81.6 | 0 | 0 | 0 | 113.6 | S83 R84 H105 N109 I129 S131 | S83-D107 CarbonylContact C-O 3.6Å; S83-D107 VanDerWaalsContact CA-O 3.23Å; S83-D107 WeakPolarHBondContact CA-O 3.34Å; S83-D107 WeakPolarHBondContact CB-OD1 3.49Å; S83-D107 VanDerWaalsContact CB-OD2 3.28Å; S83-D107 WeakPolarHBondContact CB-OD2 3.44Å; S83-D107 PolarHBondContact OG-OD1 2.84Å; R84-D107 PolarHBondContact N-O 2.87Å; R84-D107 IonicContact NH1-OD2 2.75Å; H105-D107 IonicContact ND1-OD1 3.05Å; D107-N109 PolarHBondContact O-ND2 2.99Å; D107-N109 VanDerWaalsContact O-ND2 3.07Å; D107-I129 HydrophobicContact CB-CG2 4Å; D107-I129 PolarHBondContact N-O 2.81Å; D107-S131 CarbonylContact C-O 3.55Å; D107-S131 WeakPolarHBondContact CA-O 3.22Å; D107-S131 WeakPolarHBondContact CB-O 3.36Å | ||
| 108 | S | 98.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 53.8 | 57.6 | 178.3 | -55 | 0 | 0 | 0 | 0 | 112.3 | R84 N85 S131 N132 | R84-S108 WeakPolarHBondContact CA-O 3.48Å; R84-S108 PolarHBondContact N-O 2.83Å; N85-S108 PolarHBondContact N-O 2.85Å; S108-S131 PolarHBondContact N-O 3.21Å; S108-N132 CarbonylContact C-O 3.57Å; S108-N132 WeakPolarHBondContact CA-O 3.48Å; S108-N132 PolarHBondContact N-O 2.74Å; S108-N132 PolarHBondContact OG-ND2 3.08Å |
| 109 | N | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -129.8 | -162.9 | 179.7 | -88.4 | -73.8 | 0 | 0 | 0 | 110.4 | L82 N85 I87 L106 D107 L111 N132 N133 | L82-N109 PolarHBondContact O-ND2 2.76Å; N85-N109 WeakPolarHBondContact CA-OD1 3.48Å; N85-N109 WeakPolarHBondContact CB-OD1 3.26Å; N85-N109 PolarHBondContact N-OD1 2.04Å; N85-N109 PolarHBondContact O-OD1 2.84Å; I87-N109 HydrophobicContact CB-CB 4.38Å; I87-N109 VanDerWaalsContact CB-OD1 3.27Å; I87-N109 WeakPolarHBondContact CB-OD1 3.48Å; I87-N109 VanDerWaalsContact CG1-OD1 3.28Å; I87-N109 WeakPolarHBondContact CG1-OD1 3.01Å; I87-N109 PolarHBondContact N-OD1 2.89Å; L106-N109 WeakPolarHBondContact O-CB 3.46Å; L106-N109 PolarHBondContact O-ND2 2.91Å; D107-N109 PolarHBondContact O-ND2 2.99Å; D107-N109 VanDerWaalsContact O-ND2 3.07Å; N109-L111 HydrophobicContact CB-CG 4.5Å; N109-N132 PolarHBondContact N-O 3.05Å; N109-N132 VanDerWaalsContact N-O 3.14Å; N109-N133 WeakPolarHBondContact CA-OD1 3.49Å; N109-N133 WeakPolarHBondContact CB-OD1 3.38Å |
| 110 | R | 98.4 | Very high | 97.8 | Very high | 137 Ų | 137 | 46.8 Ų | 46.8 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | trans | -125.3 | 26.9 | -176.9 | -61.2 | -179.3 | 178.7 | -121.7 | -0.8 | 111.7 | I87 S88 N133 | I87-R110 CarbonylContact O-C 3.54Å; I87-R110 WeakPolarHBondContact O-CA 3.01Å; I87-R110 PolarHBondContact O-N 2.9Å; S88-R110 WeakPolarHBondContact CA-O 3.39Å; R110-N133 PolarHBondContact N-OD1 2.79Å | ||
| 111 | L | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -68.4 | 133.1 | 179.3 | -60.6 | 174.6 | 0 | 0 | 0 | 109.2 | I87 I90 L106 N109 I114 L130 N133 Q134 L135 | I87-L111 HydrophobicContact CG2-CD2 3.88Å; I87-L111 PolarHBondContact O-N 2.84Å; I90-L111 HydrophobicContact CD1-CD1 4Å; I90-L111 HydrophobicContact CD1-CD2 3.92Å; I90-L111 HydrophobicContact CG1-CD2 3.85Å; L106-L111 HydrophobicContact CB-CD1 4.25Å; L106-L111 HydrophobicContact CD1-CD1 4.39Å; N109-L111 HydrophobicContact CB-CG 4.5Å; L111-I114 HydrophobicContact CD1-CD1 4.43Å; L111-L130 HydrophobicContact CD1-CD2 4.17Å; L111-N133 HydrophobicContact CB-CB 4.42Å; L111-N133 WeakPolarHBondContact CB-OD1 3.28Å; L111-N133 WeakPolarHBondContact CG-OD1 3.27Å; L111-N133 PolarHBondContact N-OD1 3.45Å; L111-Q134 CarbonylContact O-C 3.06Å; L111-Q134 WeakPolarHBondContact O-CA 3.32Å; L111-Q134 PolarHBondContact O-N 3.07Å; L111-L135 HydrophobicContact CB-CD2 3.75Å; L111-L135 PolarHBondContact O-N 3.48Å | ||
| 112 | T | 97.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 40.7 Ų | 40.7 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | trans | -109.5 | -26 | 179.5 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | Q134 L135 H136 | T112-Q134 WeakPolarHBondContact CA-O 3.36Å; T112-Q134 HydrophobicContact CG2-CB 4.13Å; T112-L135 WeakPolarHBondContact O-CA 3.48Å; T112-H136 PolarHBondContact O-CE1 2.98Å; T112-H136 VanDerWaalsContact O-CE1 3.28Å; T112-H136 PolarHBondContact O-N 2.73Å; T112-H136 PolarHBondContact O-ND1 3.43Å | ||
| 113 | V | 97.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 137.8 | -175.3 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | K115 H118 Y137 | V113-K115 HydrophobicContact CG1-CG 4.04Å; V113-H118 PolarHBondContact O-CE1 3.1Å; V113-Y137 WeakPolarHBondContact CA-O 3.43Å; V113-Y137 HydrophobicContact CG1-CD1 3.99Å |
| 114 | I | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.9 | 166.3 | -56 | -57.3 | 0 | 0 | 0 | 110.1 | L111 F119 L130 L135 Y137 I138 S139 A142 | L111-I114 HydrophobicContact CD1-CD1 4.43Å; I114-F119 HydrophobicContact CB-CE2 4.43Å; I114-F119 HydrophobicContact CD1-CE2 4.02Å; I114-F119 HydrophobicContact CD1-CZ 3.79Å; I114-F119 HydrophobicContact CG1-CE2 4.17Å; I114-F119 HydrophobicContact CG1-CZ 4.42Å; I114-F119 HydrophobicContact CG2-CD2 3.73Å; I114-F119 HydrophobicContact CG2-CE2 3.38Å; I114-F119 HydrophobicContact CG2-CZ 4.18Å; I114-L130 HydrophobicContact CD1-CD2 4.47Å; I114-L135 HydrophobicContact CD1-CD1 4.49Å; I114-L135 HydrophobicContact CD1-CD2 3.94Å; I114-L135 HydrophobicContact CG1-CD1 4.05Å; I114-L135 HydrophobicContact CG1-CD2 3.8Å; I114-Y137 PolarHBondContact N-O 3.11Å; I114-I138 HydrophobicContact CB-CB 4.46Å; I114-I138 HydrophobicContact CB-CG1 4.21Å; I114-I138 HydrophobicContact CB-CG2 4.19Å; I114-I138 HydrophobicContact CG1-CG1 4.26Å; I114-I138 HydrophobicContact CG2-CG2 4.38Å; I114-S139 PolarHBondContact O-N 3Å; I114-A142 HydrophobicContact CG2-CB 3.73Å |
| 115 | K | 96.7 | Very high | 97.5 | Very high | 114 Ų | 114 | 41.5 Ų | 41.5 | 50% | 0.496 | 21% | 0.209 | S | C | . | . | trans | -116.5 | 161.4 | 178.4 | -62.4 | -178 | 174.5 | -176.3 | 0 | 111.5 | V113 D117 H118 | V113-K115 HydrophobicContact CG1-CG 4.04Å; K115-D117 VanDerWaalsContact CB-OD1 3.26Å; K115-D117 WeakPolarHBondContact CB-OD1 3.46Å; K115-D117 PolarHBondContact O-N 3.47Å; K115-D117 VanDerWaalsContact O-N 3.07Å; K115-H118 PolarHBondContact N-ND1 3.04Å; K115-H118 WeakPolarHBondContact O-CB 3.18Å; K115-H118 PolarHBondContact O-N 2.81Å | ||
| 116 | D | 95.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -26.8 | -177 | -50.2 | -34.7 | 0 | 0 | 0 | 114.1 | S139 H141 A142 | D116-S139 VanDerWaalsContact CG-OG 3.26Å; D116-S139 WeakPolarHBondContact OD1-CB 3.21Å; D116-S139 PolarHBondContact OD1-OG 3.02Å; D116-S139 PolarHBondContact OD2-OG 3.24Å; D116-H141 HydrophobicContact CB-CB 4.39Å; D116-H141 WeakPolarHBondContact OD1-CB 3.18Å; D116-H141 PolarHBondContact OD1-N 2.76Å; D116-A142 PolarHBondContact OD1-N 3.06Å |
| 117 | D | 95.7 | Very high | 97.5 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -9.5 | -178.3 | 66.2 | -21.4 | 0 | 0 | 0 | 114.1 | P92 S93 K115 | P92-D117 WeakPolarHBondContact CA-OD2 3.32Å; P92-D117 WeakPolarHBondContact CB-OD2 3.4Å; P92-D117 WeakPolarHBondContact CG-OD2 3.23Å; S93-D117 VanDerWaalsContact CA-O 3.32Å; S93-D117 WeakPolarHBondContact CA-O 3.32Å; S93-D117 PolarHBondContact N-O 3.23Å; K115-D117 VanDerWaalsContact CB-OD1 3.26Å; K115-D117 WeakPolarHBondContact CB-OD1 3.46Å; K115-D117 PolarHBondContact O-N 3.47Å; K115-D117 VanDerWaalsContact O-N 3.07Å |
| 118 | H | 97.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -48.3 | -179.5 | -70.5 | -173.6 | 0 | 0 | 0 | 111.3 | I90 F95 V113 K115 | I90-H118 HydrophobicContact CG2-CB 4.43Å; F95-H118 VanDerWaalsContact CD2-O 3.26Å; F95-H118 WeakPolarHBondContact CD2-O 3.32Å; V113-H118 PolarHBondContact O-CE1 3.1Å; K115-H118 PolarHBondContact N-ND1 3.04Å; K115-H118 WeakPolarHBondContact O-CB 3.18Å; K115-H118 PolarHBondContact O-N 2.81Å |
| 119 | F | 97.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -102.9 | 4.7 | -176 | -58.5 | -42.7 | 0 | 0 | 0 | 114.7 | I90 F95 L104 L106 I114 G121 L122 L128 L130 F143 F146 | I90-F119 HydrophobicContact CD1-CE1 4.48Å; F95-F119 HydrophobicContact CD2-CD1 4.01Å; F95-F119 HydrophobicContact CD2-CE1 4.47Å; F95-F119 HydrophobicContact CE2-CD1 4.14Å; F95-F119 HydrophobicContact CE2-CE1 4.13Å; L104-F119 HydrophobicContact CD2-CD1 4.09Å; L104-F119 HydrophobicContact CD2-CE1 3.97Å; L106-F119 HydrophobicContact CD1-CE1 3.79Å; L106-F119 HydrophobicContact CD1-CZ 4.19Å; I114-F119 HydrophobicContact CB-CE2 4.43Å; I114-F119 HydrophobicContact CD1-CE2 4.02Å; I114-F119 HydrophobicContact CD1-CZ 3.79Å; I114-F119 HydrophobicContact CG1-CE2 4.17Å; I114-F119 HydrophobicContact CG1-CZ 4.42Å; I114-F119 HydrophobicContact CG2-CD2 3.73Å; I114-F119 HydrophobicContact CG2-CE2 3.38Å; I114-F119 HydrophobicContact CG2-CZ 4.18Å; F119-G121 PolarHBondContact O-N 3.49Å; F119-L122 HydrophobicContact CB-CD1 4.06Å; F119-L122 HydrophobicContact CD1-CD1 4.17Å; F119-L122 HydrophobicContact CG-CD1 4.49Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 VanDerWaalsContact O-CG 3.29Å; F119-L122 WeakPolarHBondContact O-CG 3.38Å; F119-L122 PolarHBondContact O-N 2.78Å; F119-L128 HydrophobicContact CD2-CD2 4.4Å; F119-L128 HydrophobicContact CE1-CD1 4.5Å; F119-L128 HydrophobicContact CE2-CD2 4.15Å; F119-L128 HydrophobicContact CZ-CD1 4.26Å; F119-L130 HydrophobicContact CE2-CD1 4.06Å; F119-L130 HydrophobicContact CZ-CD1 4.06Å; F119-L130 HydrophobicContact CZ-CD2 3.97Å; F119-F143 HydrophobicContact CD2-CD1 4.35Å; F119-F143 HydrophobicContact CD2-CE1 4.28Å; F119-F143 HydrophobicContact CE2-CE1 4.2Å; F119-F146 HydrophobicContact CB-CE1 3.84Å; F119-F146 HydrophobicContact CB-CZ 4.33Å; F119-F146 HydrophobicContact CD2-CZ 4.42Å |
| 120 | K | 95.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 44.2 Ų | 44.2 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 132.7 | 176.8 | -167.8 | 165.1 | -169.5 | 159.7 | 0 | 111.8 | S96 D145 | S96-K120 WeakPolarHBondContact CA-O 3.2Å; K120-D145 WeakPolarHBondContact CA-OD2 3.34Å |
| 121 | G | 94.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -4.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F119 T123 D145 | F119-G121 PolarHBondContact O-N 3.49Å; G121-T123 VanDerWaalsContact C-N 3.26Å; G121-T123 PolarHBondContact O-N 3.35Å; G121-D145 PolarHBondContact N-OD2 3.07Å |
| 122 | L | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -82.6 | 47.1 | -175.1 | -68 | -176.3 | 0 | 0 | 0 | 114.4 | F95 L98 L101 L104 F119 N124 L125 F146 | F95-L122 HydrophobicContact CB-CD1 4.18Å; F95-L122 HydrophobicContact CB-CD2 3.93Å; F95-L122 HydrophobicContact CB-CG 4.11Å; F95-L122 HydrophobicContact CD2-CD1 4.43Å; L98-L122 HydrophobicContact CB-CD2 3.84Å; L101-L122 HydrophobicContact CB-CD2 4.05Å; L101-L122 HydrophobicContact CD2-CD2 3.71Å; L104-L122 HydrophobicContact CD2-CD1 3.82Å; F119-L122 HydrophobicContact CB-CD1 4.06Å; F119-L122 HydrophobicContact CD1-CD1 4.17Å; F119-L122 HydrophobicContact CG-CD1 4.49Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 VanDerWaalsContact O-CG 3.29Å; F119-L122 WeakPolarHBondContact O-CG 3.38Å; F119-L122 PolarHBondContact O-N 2.78Å; L122-N124 PolarHBondContact O-N 3.45Å; L122-L125 HydrophobicContact CB-CB 4.28Å; L122-L125 HydrophobicContact CB-CD2 4.46Å; L122-L125 HydrophobicContact CD1-CD2 4.15Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 2.93Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-F146 HydrophobicContact CB-CD1 4.07Å; L122-F146 HydrophobicContact CB-CE1 4.41Å | ||
| 123 | T | 96.2 | Very high | 97.5 | Very high | 59 Ų | 59 | 40.1 Ų | 40.1 | 36% | 0.362 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.4 | -166 | 62.1 | 0 | 0 | 0 | 0 | 117 | G121 D145 T149 | G121-T123 VanDerWaalsContact C-N 3.26Å; G121-T123 PolarHBondContact O-N 3.35Å; T123-D145 WeakPolarHBondContact CA-O 3.46Å; T123-T149 WeakPolarHBondContact O-CG2 3.48Å; T123-T149 PolarHBondContact O-OG1 3.44Å |
| 124 | N | 97.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 13 | 179.5 | -76.5 | -97.9 | 0 | 0 | 0 | 113.5 | R99 L101 L122 | R99-N124 WeakPolarHBondContact O-CB 3.44Å; R99-N124 PolarHBondContact O-ND2 3.23Å; L101-N124 CarbonylContact O-C 3.56Å; L101-N124 VanDerWaalsContact O-O 3.11Å; L122-N124 PolarHBondContact O-N 3.45Å |
| 125 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -66.5 | 134.3 | -176.5 | -163.1 | 70.4 | 0 | 0 | 0 | 111 | L101 L104 L122 L128 F146 T149 L150 | L101-L125 HydrophobicContact CD2-CD1 4.18Å; L101-L125 HydrophobicContact CG-CD1 4.32Å; L101-L125 WeakPolarHBondContact O-CA 3.47Å; L101-L125 PolarHBondContact O-N 3.04Å; L104-L125 HydrophobicContact CB-CD1 3.85Å; L122-L125 HydrophobicContact CB-CB 4.28Å; L122-L125 HydrophobicContact CB-CD2 4.46Å; L122-L125 HydrophobicContact CD1-CD2 4.15Å; L122-L125 WeakPolarHBondContact O-CB 3.49Å; L122-L125 PolarHBondContact O-N 2.93Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L125-L128 HydrophobicContact CD2-CB 3.98Å; L125-L128 HydrophobicContact CD2-CD1 4.3Å; L125-L128 HydrophobicContact CD2-CD2 4.37Å; L125-L128 HydrophobicContact CD2-CG 4.44Å; L125-F146 HydrophobicContact CB-CB 3.98Å; L125-F146 HydrophobicContact CB-CD1 4.33Å; L125-F146 HydrophobicContact CB-CG 4.09Å; L125-F146 HydrophobicContact CD2-CD1 4.13Å; L125-F146 HydrophobicContact CD2-CD2 4.3Å; L125-F146 HydrophobicContact CD2-CE1 4.08Å; L125-F146 HydrophobicContact CD2-CE2 4.23Å; L125-F146 HydrophobicContact CD2-CG 4.22Å; L125-F146 HydrophobicContact CD2-CZ 4.1Å; L125-T149 CarbonylContact O-C 3.57Å; L125-T149 WeakPolarHBondContact O-CB 3.44Å; L125-T149 VanDerWaalsContact O-O 3.11Å; L125-T149 PolarHBondContact O-OG1 2.82Å; L125-L150 HydrophobicContact CD2-CD1 4.28Å; L125-L150 HydrophobicContact CG-CD1 4.24Å; L125-L150 WeakPolarHBondContact O-CA 3.32Å; L125-L150 PolarHBondContact O-N 2.67Å | ||
| 126 | R | 98.5 | Very high | 97.6 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | trans | -118.1 | -39.1 | -179.6 | -69.6 | 176.3 | 174 | -116.2 | -12.8 | 112 | R102 T149 L150 E151 D152 | R102-R126 WeakPolarHBondContact O-CA 3.38Å; R102-R126 WeakPolarHBondContact O-CB 3.25Å; R102-R126 PolarHBondContact O-N 3.29Å; R126-T149 WeakPolarHBondContact CG-O 3.42Å; R126-L150 WeakPolarHBondContact O-CD1 3.36Å; R126-E151 HydrophobicContact CB-CB 4.32Å; R126-E151 HydrophobicContact CB-CG 4.42Å; R126-E151 HydrophobicContact CG-CG 4.43Å; R126-E151 IonicContact CZ-OE1 3.55Å; R126-E151 VanDerWaalsContact CZ-OE1 3.24Å; R126-E151 IonicContact CZ-OE2 2.84Å; R126-E151 IonicContact NE-OE1 3.93Å; R126-E151 VanDerWaalsContact NH1-CD 3.26Å; R126-E151 IonicContact NH1-OE1 3.41Å; R126-E151 PolarHBondContact NH1-OE1 3.37Å; R126-E151 IonicContact NH1-OE2 3.34Å; R126-E151 PolarHBondContact NH1-OE2 3.43Å; R126-E151 VanDerWaalsContact NH1-OE2 3.14Å; R126-E151 IonicContact NH2-OE1 3.51Å; R126-E151 CarbonylContact O-C 3.08Å; R126-E151 WeakPolarHBondContact O-CA 3.33Å; R126-E151 PolarHBondContact O-N 3.17Å; R126-D152 PolarHBondContact O-N 3.13Å | ||
| 127 | H | 98.7 | Very high | 97.7 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 25% | 0.25 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.1 | -178.9 | -41.4 | -81 | 0 | 0 | 0 | 108.9 | R102 A103 L104 D152 | R102-H127 PolarHBondContact O-N 2.02Å; A103-H127 WeakPolarHBondContact CA-O 3.01Å; A103-H127 HydrophobicContact CB-CB 4.24Å; L104-H127 PolarHBondContact N-O 3.27Å; H127-D152 WeakPolarHBondContact CA-O 3.36Å; H127-D152 IonicContact CE1-OD2 2.99Å; H127-D152 PolarHBondContact CE1-OD2 2.92Å; H127-D152 VanDerWaalsContact CE1-OD2 3.29Å; H127-D152 IonicContact CG-OD2 3.89Å; H127-D152 IonicContact ND1-OD2 3.02Å; H127-D152 PolarHBondContact ND1-OD2 3.39Å |
| 128 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 107.3 | 174.6 | 178.3 | 55.9 | 0 | 0 | 0 | 109 | L104 F119 L125 L130 F143 F146 L150 D152 L153 D154 | L104-L128 HydrophobicContact CB-CD1 4.29Å; L104-L128 HydrophobicContact CD2-CD1 4.15Å; L104-L128 HydrophobicContact CG-CD1 4.3Å; F119-L128 HydrophobicContact CD2-CD2 4.4Å; F119-L128 HydrophobicContact CE1-CD1 4.5Å; F119-L128 HydrophobicContact CE2-CD2 4.15Å; F119-L128 HydrophobicContact CZ-CD1 4.26Å; L125-L128 HydrophobicContact CD2-CB 3.98Å; L125-L128 HydrophobicContact CD2-CD1 4.3Å; L125-L128 HydrophobicContact CD2-CD2 4.37Å; L125-L128 HydrophobicContact CD2-CG 4.44Å; L128-L130 HydrophobicContact CD1-CD1 4.08Å; L128-L130 HydrophobicContact CD1-CG 4.02Å; L128-L130 HydrophobicContact CD2-CD1 3.97Å; L128-L130 HydrophobicContact CG-CD1 3.89Å; L128-L130 HydrophobicContact CG-CG 4.15Å; L128-F143 HydrophobicContact CD2-CD1 4.29Å; L128-F143 HydrophobicContact CD2-CE1 3.97Å; L128-F146 HydrophobicContact CD2-CE2 3.95Å; L128-F146 HydrophobicContact CD2-CZ 3.8Å; L128-L150 HydrophobicContact CB-CD1 3.96Å; L128-D152 PolarHBondContact N-O 3.1Å; L128-L153 HydrophobicContact CB-CD1 4.12Å; L128-L153 HydrophobicContact CD2-CD1 4.06Å; L128-L153 HydrophobicContact CG-CD1 4.11Å; L128-D154 PolarHBondContact O-N 2.82Å |
| 129 | I | 98.8 | Very high | 97.8 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.1 | -176.8 | -43.7 | -57.4 | 0 | 0 | 0 | 108.8 | L104 L106 D107 D154 | L104-I129 PolarHBondContact O-N 2.84Å; L106-I129 PolarHBondContact N-O 2.8Å; D107-I129 HydrophobicContact CB-CG2 4Å; D107-I129 PolarHBondContact N-O 2.81Å; I129-D154 HydrophobicContact CD1-CB 3.94Å; I129-D154 HydrophobicContact CG2-CB 4.12Å; I129-D154 WeakPolarHBondContact CG2-OD2 3.39Å |
| 130 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -119.6 | 10.1 | -178.1 | -72.7 | 165 | 0 | 0 | 0 | 112.5 | L106 L111 I114 F119 L128 N133 L135 D154 L155 N158 | L106-L130 HydrophobicContact CB-CD2 3.78Å; L106-L130 HydrophobicContact CD1-CD2 3.94Å; L111-L130 HydrophobicContact CD1-CD2 4.17Å; I114-L130 HydrophobicContact CD1-CD2 4.47Å; F119-L130 HydrophobicContact CE2-CD1 4.06Å; F119-L130 HydrophobicContact CZ-CD1 4.06Å; F119-L130 HydrophobicContact CZ-CD2 3.97Å; L128-L130 HydrophobicContact CD1-CD1 4.08Å; L128-L130 HydrophobicContact CD1-CG 4.02Å; L128-L130 HydrophobicContact CD2-CD1 3.97Å; L128-L130 HydrophobicContact CG-CD1 3.89Å; L128-L130 HydrophobicContact CG-CG 4.15Å; L130-N133 PolarHBondContact O-ND2 3.41Å; L130-L135 HydrophobicContact CB-CD1 4.25Å; L130-L135 HydrophobicContact CD1-CD1 4.48Å; L130-D154 WeakPolarHBondContact CA-O 2.99Å; L130-D154 PolarHBondContact N-O 2.8Å; L130-L155 HydrophobicContact CB-CD2 4.14Å; L130-L155 HydrophobicContact CD1-CD2 3.88Å; L130-N158 PolarHBondContact O-ND2 3.03Å; L130-N158 VanDerWaalsContact O-ND2 3.12Å | ||
| 131 | S | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | trans | -63.4 | 154.6 | -174.6 | 41.8 | 0 | 0 | 0 | 0 | 114.4 | D107 S108 N133 D154 S156 | D107-S131 CarbonylContact C-O 3.55Å; D107-S131 WeakPolarHBondContact CA-O 3.22Å; D107-S131 WeakPolarHBondContact CB-O 3.36Å; S108-S131 PolarHBondContact N-O 3.21Å; S131-N133 PolarHBondContact O-ND2 3.02Å; S131-D154 WeakPolarHBondContact CB-OD1 3.48Å; S131-D154 WeakPolarHBondContact CB-OD2 3.48Å; S131-D154 PolarHBondContact N-O 2.79Å; S131-D154 PolarHBondContact OG-OD2 3.17Å; S131-S156 CarbonylContact C-O 3.57Å; S131-S156 WeakPolarHBondContact CA-O 3.34Å; S131-S156 VanDerWaalsContact CB-O 3.24Å; S131-S156 WeakPolarHBondContact CB-O 3.05Å | ||
| 132 | N | 98.7 | Very high | 97.9 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 56 | 57.4 | -178.8 | -169.1 | 34.4 | 0 | 0 | 0 | 111.5 | S108 N109 S156 Y157 | S108-N132 CarbonylContact C-O 3.57Å; S108-N132 WeakPolarHBondContact CA-O 3.48Å; S108-N132 PolarHBondContact N-O 2.74Å; S108-N132 PolarHBondContact OG-ND2 3.08Å; N109-N132 PolarHBondContact N-O 3.05Å; N109-N132 VanDerWaalsContact N-O 3.14Å; N132-S156 PolarHBondContact N-O 3.26Å; N132-Y157 WeakPolarHBondContact CA-O 3.44Å; N132-Y157 PolarHBondContact N-O 2.92Å |
| 133 | N | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -123.3 | -161.8 | 172.5 | -89 | -82.2 | 0 | 0 | 0 | 108.9 | L106 N109 R110 L111 L130 S131 L135 Y157 N158 | L106-N133 PolarHBondContact O-ND2 2.75Å; N109-N133 WeakPolarHBondContact CA-OD1 3.49Å; N109-N133 WeakPolarHBondContact CB-OD1 3.38Å; R110-N133 PolarHBondContact N-OD1 2.79Å; L111-N133 HydrophobicContact CB-CB 4.42Å; L111-N133 WeakPolarHBondContact CB-OD1 3.28Å; L111-N133 WeakPolarHBondContact CG-OD1 3.27Å; L111-N133 PolarHBondContact N-OD1 3.45Å; L130-N133 PolarHBondContact O-ND2 3.41Å; S131-N133 PolarHBondContact O-ND2 3.02Å; N133-L135 HydrophobicContact CB-CG 4.12Å; N133-Y157 PolarHBondContact N-O 3.15Å; N133-Y157 VanDerWaalsContact N-O 3.1Å; N133-N158 WeakPolarHBondContact CA-OD1 3.39Å; N133-N158 WeakPolarHBondContact CB-OD1 3.4Å; N133-N158 PolarHBondContact N-OD1 3.02Å |
| 134 | Q | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 43 Ų | 43 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | trans | -125 | 29.6 | 179.5 | -62.4 | 175.7 | 8.2 | 0 | 0 | 110.4 | L111 T112 H136 N158 N159 | L111-Q134 CarbonylContact O-C 3.06Å; L111-Q134 WeakPolarHBondContact O-CA 3.32Å; L111-Q134 PolarHBondContact O-N 3.07Å; T112-Q134 WeakPolarHBondContact CA-O 3.36Å; T112-Q134 HydrophobicContact CG2-CB 4.13Å; Q134-H136 PolarHBondContact O-N 3.39Å; Q134-N158 PolarHBondContact N-OD1 2.83Å; Q134-N159 WeakPolarHBondContact CA-OD1 3.23Å | ||
| 135 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -67.6 | 118.4 | -172.9 | -63.9 | 176.7 | 0 | 0 | 0 | 110 | L111 T112 I114 L130 N133 N158 N159 L160 | L111-L135 HydrophobicContact CB-CD2 3.75Å; L111-L135 PolarHBondContact O-N 3.48Å; T112-L135 WeakPolarHBondContact O-CA 3.48Å; I114-L135 HydrophobicContact CD1-CD1 4.49Å; I114-L135 HydrophobicContact CD1-CD2 3.94Å; I114-L135 HydrophobicContact CG1-CD1 4.05Å; I114-L135 HydrophobicContact CG1-CD2 3.8Å; L130-L135 HydrophobicContact CB-CD1 4.25Å; L130-L135 HydrophobicContact CD1-CD1 4.48Å; N133-L135 HydrophobicContact CB-CG 4.12Å; L135-N158 HydrophobicContact CB-CB 4.22Å; L135-N158 VanDerWaalsContact CB-OD1 3.25Å; L135-N158 WeakPolarHBondContact CB-OD1 3.43Å; L135-N158 WeakPolarHBondContact CG-OD1 3.37Å; L135-N158 PolarHBondContact N-OD1 3.44Å; L135-N159 CarbonylContact O-C 3.22Å; L135-N159 VanDerWaalsContact O-CA 3.22Å; L135-N159 WeakPolarHBondContact O-CA 3.03Å; L135-N159 WeakPolarHBondContact O-CB 3.46Å; L135-N159 PolarHBondContact O-N 2.92Å; L135-L160 HydrophobicContact CB-CD2 3.94Å; L135-L160 HydrophobicContact CB-CG 4.42Å; L135-L160 WeakPolarHBondContact O-CD2 3.08Å; L135-L160 WeakPolarHBondContact O-CG 3.09Å; L135-L160 PolarHBondContact O-N 3.41Å; L135-L160 VanDerWaalsContact O-N 3.13Å | ||
| 136 | H | 97.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | trans | -111.8 | -8.5 | 171.7 | 64.2 | -85.9 | 0 | 0 | 0 | 112.4 | T112 Q134 N159 | T112-H136 PolarHBondContact O-CE1 2.98Å; T112-H136 VanDerWaalsContact O-CE1 3.28Å; T112-H136 PolarHBondContact O-N 2.73Å; T112-H136 PolarHBondContact O-ND1 3.43Å; Q134-H136 PolarHBondContact O-N 3.39Å; H136-N159 HydrophobicContact CB-CB 4.21Å | ||
| 137 | Y | 97.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 38.9 Ų | 38.9 | 41% | 0.408 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 134.3 | 176.8 | -175.5 | -99.6 | 0 | 0 | 0 | 112 | V113 I114 | V113-Y137 WeakPolarHBondContact CA-O 3.43Å; V113-Y137 HydrophobicContact CG1-CD1 3.99Å; I114-Y137 PolarHBondContact N-O 3.11Å |
| 138 | I | 98.1 | Very high | 97.3 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.4 | 171.1 | -59.6 | 173.2 | 0 | 0 | 0 | 107.2 | I114 A142 F143 L155 L160 P164 | I114-I138 HydrophobicContact CB-CB 4.46Å; I114-I138 HydrophobicContact CB-CG1 4.21Å; I114-I138 HydrophobicContact CB-CG2 4.19Å; I114-I138 HydrophobicContact CG1-CG1 4.26Å; I114-I138 HydrophobicContact CG2-CG2 4.38Å; I138-A142 HydrophobicContact CG2-CB 3.97Å; I138-F143 HydrophobicContact CD1-CZ 4.19Å; I138-F143 HydrophobicContact CG2-CE1 4.13Å; I138-F143 HydrophobicContact CG2-CE2 4.14Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; I138-L155 HydrophobicContact CD1-CD1 4.23Å; I138-L155 HydrophobicContact CD1-CD2 3.99Å; I138-L160 HydrophobicContact CD1-CD1 3.82Å; I138-L160 HydrophobicContact CD1-CD2 3.82Å; I138-L160 HydrophobicContact CG1-CD2 3.85Å; I138-P164 HydrophobicContact CB-CG 4.35Å; I138-P164 HydrophobicContact CG2-CG 3.84Å |
| 139 | S | 97.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -64.3 | 142.9 | -179.1 | -167.4 | 0 | 0 | 0 | 0 | 112.3 | I114 D116 H141 A142 | I114-S139 PolarHBondContact O-N 3Å; D116-S139 VanDerWaalsContact CG-OG 3.26Å; D116-S139 WeakPolarHBondContact OD1-CB 3.21Å; D116-S139 PolarHBondContact OD1-OG 3.02Å; D116-S139 PolarHBondContact OD2-OG 3.24Å; S139-H141 PolarHBondContact O-N 3.3Å; S139-H141 VanDerWaalsContact O-N 3.1Å; S139-A142 WeakPolarHBondContact O-CB 3.42Å; S139-A142 PolarHBondContact O-N 3.19Å | ||
| 140 | P | 96 | Very high | 97.2 | Very high | 59 Ų | 59 | 41 Ų | 41 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -35.1 | -175.1 | -30.3 | 36.5 | 0 | 0 | 0 | 115.6 | T167 | P140-T167 PolarHBondContact O-OG1 2.93Š|
| 141 | H | 96 | Very high | 97.2 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 4.7 | -176.1 | -57.6 | -67.6 | 0 | 0 | 0 | 113.6 | D116 S139 F143 D144 | D116-H141 HydrophobicContact CB-CB 4.39Å; D116-H141 WeakPolarHBondContact OD1-CB 3.18Å; D116-H141 PolarHBondContact OD1-N 2.76Å; S139-H141 PolarHBondContact O-N 3.3Å; S139-H141 VanDerWaalsContact O-N 3.1Å; H141-F143 PolarHBondContact O-N 3.15Å; H141-D144 WeakPolarHBondContact CA-OD2 3.31Å; H141-D144 WeakPolarHBondContact CB-OD2 3.39Å; H141-D144 IonicContact CE1-OD2 3.4Å; H141-D144 IonicContact CG-OD2 3.92Å; H141-D144 IonicContact ND1-OD2 3.12Å; H141-D144 PolarHBondContact ND1-OD2 3.32Å; H141-D144 PolarHBondContact O-N 3.27Å |
| 142 | A | 97.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | I114 D116 I138 S139 | I114-A142 HydrophobicContact CG2-CB 3.73Å; D116-A142 PolarHBondContact OD1-N 3.06Å; I138-A142 HydrophobicContact CG2-CB 3.97Å; S139-A142 WeakPolarHBondContact O-CB 3.42Å; S139-A142 PolarHBondContact O-N 3.19Å |
| 143 | F | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -1.9 | -176.9 | -55.4 | -28.8 | 0 | 0 | 0 | 114.1 | F119 L128 I138 H141 D145 F146 V147 L153 L155 P164 T167 | F119-F143 HydrophobicContact CD2-CD1 4.35Å; F119-F143 HydrophobicContact CD2-CE1 4.28Å; F119-F143 HydrophobicContact CE2-CE1 4.2Å; L128-F143 HydrophobicContact CD2-CD1 4.29Å; L128-F143 HydrophobicContact CD2-CE1 3.97Å; I138-F143 HydrophobicContact CD1-CZ 4.19Å; I138-F143 HydrophobicContact CG2-CE1 4.13Å; I138-F143 HydrophobicContact CG2-CE2 4.14Å; I138-F143 HydrophobicContact CG2-CZ 3.73Å; H141-F143 PolarHBondContact O-N 3.15Å; F143-D145 VanDerWaalsContact C-N 3.29Å; F143-D145 PolarHBondContact O-N 2.03Å; F143-F146 HydrophobicContact CB-CE2 3.79Å; F143-F146 HydrophobicContact CB-CZ 4Å; F143-F146 AromaticContact CD1-CE2 3.93Å; F143-F146 HydrophobicContact CD1-CE2 3.93Å; F143-F146 AromaticContact CD1-CZ 3.65Å; F143-F146 HydrophobicContact CD1-CZ 3.65Å; F143-F146 HydrophobicContact CG-CE2 4.1Å; F143-F146 HydrophobicContact CG-CZ 4.2Å; F143-F146 PolarHBondContact O-N 3.17Å; F143-V147 WeakPolarHBondContact O-CG2 3.28Å; F143-V147 PolarHBondContact O-N 3.1Å; F143-L153 HydrophobicContact CE2-CD2 4.16Å; F143-L155 HydrophobicContact CZ-CD2 4.48Å; F143-P164 HydrophobicContact CD2-CG 4.14Å; F143-P164 HydrophobicContact CE2-CG 3.9Å; F143-T167 HydrophobicContact CB-CG2 3.83Å |
| 144 | D | 95.9 | Very high | 97.2 | Very high | 58 Ų | 58 | 41 Ų | 41 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -58.5 | -35.5 | -168.5 | -85.7 | -26 | 0 | 0 | 0 | 114 | H141 F146 T167 R170 | H141-D144 WeakPolarHBondContact CA-OD2 3.31Å; H141-D144 WeakPolarHBondContact CB-OD2 3.39Å; H141-D144 IonicContact CE1-OD2 3.4Å; H141-D144 IonicContact CG-OD2 3.92Å; H141-D144 IonicContact ND1-OD2 3.12Å; H141-D144 PolarHBondContact ND1-OD2 3.32Å; H141-D144 PolarHBondContact O-N 3.27Å; D144-F146 PolarHBondContact O-N 2.97Å; D144-T167 WeakPolarHBondContact OD1-CG2 3.33Å; D144-R170 IonicContact OD1-CZ 2.65Å; D144-R170 IonicContact OD1-NH2 3.46Å; D144-R170 PolarHBondContact OD1-NH2 3.11Å |
| 145 | D | 96.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 35% | 0.353 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -65.7 | -19 | -177 | -83.7 | 1.4 | 0 | 0 | 0 | 114.5 | K120 G121 T123 F143 | K120-D145 WeakPolarHBondContact CA-OD2 3.34Å; G121-D145 PolarHBondContact N-OD2 3.07Å; T123-D145 WeakPolarHBondContact CA-O 3.46Å; F143-D145 VanDerWaalsContact C-N 3.29Å; F143-D145 PolarHBondContact O-N 2.03Å |
| 146 | F | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -128 | 18.3 | -176.9 | 47.2 | -94.6 | 0 | 0 | 0 | 114.3 | F119 L122 L125 L128 F143 D144 T148 T149 L150 | F119-F146 HydrophobicContact CB-CE1 3.84Å; F119-F146 HydrophobicContact CB-CZ 4.33Å; F119-F146 HydrophobicContact CD2-CZ 4.42Å; L122-F146 HydrophobicContact CB-CD1 4.07Å; L122-F146 HydrophobicContact CB-CE1 4.41Å; L125-F146 HydrophobicContact CB-CB 3.98Å; L125-F146 HydrophobicContact CB-CD1 4.33Å; L125-F146 HydrophobicContact CB-CG 4.09Å; L125-F146 HydrophobicContact CD2-CD1 4.13Å; L125-F146 HydrophobicContact CD2-CD2 4.3Å; L125-F146 HydrophobicContact CD2-CE1 4.08Å; L125-F146 HydrophobicContact CD2-CE2 4.23Å; L125-F146 HydrophobicContact CD2-CG 4.22Å; L125-F146 HydrophobicContact CD2-CZ 4.1Å; L128-F146 HydrophobicContact CD2-CE2 3.95Å; L128-F146 HydrophobicContact CD2-CZ 3.8Å; F143-F146 HydrophobicContact CB-CE2 3.79Å; F143-F146 HydrophobicContact CB-CZ 4Å; F143-F146 AromaticContact CD1-CE2 3.93Å; F143-F146 HydrophobicContact CD1-CE2 3.93Å; F143-F146 AromaticContact CD1-CZ 3.65Å; F143-F146 HydrophobicContact CD1-CZ 3.65Å; F143-F146 HydrophobicContact CG-CE2 4.1Å; F143-F146 HydrophobicContact CG-CZ 4.2Å; F143-F146 PolarHBondContact O-N 3.17Å; D144-F146 PolarHBondContact O-N 2.97Å; F146-T148 PolarHBondContact O-N 3.03Å; F146-T148 VanDerWaalsContact O-N 3.12Å; F146-T149 WeakPolarHBondContact CA-OG1 3.35Å; F146-T149 WeakPolarHBondContact CB-OG1 3.41Å; F146-T149 PolarHBondContact O-N 3.16Å; F146-T149 PolarHBondContact O-OG1 3.13Å; F146-L150 HydrophobicContact CD2-CB 4.19Å; F146-L150 HydrophobicContact CD2-CD1 3.88Å; F146-L150 HydrophobicContact CD2-CD2 4.07Å; F146-L150 HydrophobicContact CD2-CG 4.28Å; F146-L150 HydrophobicContact CE2-CD1 4.19Å; F146-L150 HydrophobicContact CE2-CD2 4.06Å; F146-L150 PolarHBondContact O-N 2.75Å |
| 147 | V | 95.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.103 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -34.1 | 179.1 | 168.9 | 0 | 0 | 0 | 0 | 113.1 | F143 T167 R170 L171 | F143-V147 WeakPolarHBondContact O-CG2 3.28Å; F143-V147 PolarHBondContact O-N 3.1Å; V147-T167 HydrophobicContact CG2-CG2 3.81Å; V147-R170 HydrophobicContact CG1-CB 3.42Å; V147-R170 VanDerWaalsContact CG1-CB 3.42Å; V147-R170 WeakPolarHBondContact CG1-O 3.23Å; V147-L171 HydrophobicContact CB-CD2 4.37Å; V147-L171 HydrophobicContact CG1-CD2 4.47Å; V147-L171 HydrophobicContact CG2-CD2 4.26Å |
| 148 | T | 94.7 | Very high | 97.3 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 58% | 0.583 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -2.5 | -179.2 | 58 | 0 | 0 | 0 | 0 | 114 | F146 N173 | F146-T148 PolarHBondContact O-N 3.03Å; F146-T148 VanDerWaalsContact O-N 3.12Å; T148-N173 PolarHBondContact O-ND2 3.04Å |
| 149 | T | 97.2 | Very high | 97.4 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | -19.8 | -173.6 | 42.6 | 0 | 0 | 0 | 0 | 114.4 | T123 L125 R126 F146 | T123-T149 WeakPolarHBondContact O-CG2 3.48Å; T123-T149 PolarHBondContact O-OG1 3.44Å; L125-T149 CarbonylContact O-C 3.57Å; L125-T149 WeakPolarHBondContact O-CB 3.44Å; L125-T149 VanDerWaalsContact O-O 3.11Å; L125-T149 PolarHBondContact O-OG1 2.82Å; R126-T149 WeakPolarHBondContact CG-O 3.42Å; F146-T149 WeakPolarHBondContact CA-OG1 3.35Å; F146-T149 WeakPolarHBondContact CB-OG1 3.41Å; F146-T149 PolarHBondContact O-N 3.16Å; F146-T149 PolarHBondContact O-OG1 3.13Å |
| 150 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -67.2 | 132.8 | -179.6 | -154.5 | 70.2 | 0 | 0 | 0 | 112.3 | L125 R126 L128 F146 L153 L171 N173 V174 | L125-L150 HydrophobicContact CD2-CD1 4.28Å; L125-L150 HydrophobicContact CG-CD1 4.24Å; L125-L150 WeakPolarHBondContact O-CA 3.32Å; L125-L150 PolarHBondContact O-N 2.67Å; R126-L150 WeakPolarHBondContact O-CD1 3.36Å; L128-L150 HydrophobicContact CB-CD1 3.96Å; F146-L150 HydrophobicContact CD2-CB 4.19Å; F146-L150 HydrophobicContact CD2-CD1 3.88Å; F146-L150 HydrophobicContact CD2-CD2 4.07Å; F146-L150 HydrophobicContact CD2-CG 4.28Å; F146-L150 HydrophobicContact CE2-CD1 4.19Å; F146-L150 HydrophobicContact CE2-CD2 4.06Å; F146-L150 PolarHBondContact O-N 2.75Å; L150-L153 HydrophobicContact CD2-CB 3.88Å; L150-L153 HydrophobicContact CD2-CD1 4.37Å; L150-L153 HydrophobicContact CD2-CD2 4.27Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L150-L171 HydrophobicContact CB-CD2 4.41Å; L150-L171 HydrophobicContact CD2-CD1 4.16Å; L150-L171 HydrophobicContact CD2-CD2 4.32Å; L150-N173 CarbonylContact O-C 3.58Å; L150-N173 WeakPolarHBondContact O-CB 3.24Å; L150-V174 PolarHBondContact O-N 3.04Å | ||
| 151 | E | 98.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | trans | -116.4 | -36.5 | -177.8 | -73.1 | 174 | 179.9 | 0 | 0 | 111.2 | R126 V174 N175 T176 | R126-E151 HydrophobicContact CB-CB 4.32Å; R126-E151 HydrophobicContact CB-CG 4.42Å; R126-E151 HydrophobicContact CG-CG 4.43Å; R126-E151 IonicContact CZ-OE1 3.55Å; R126-E151 VanDerWaalsContact CZ-OE1 3.24Å; R126-E151 IonicContact CZ-OE2 2.84Å; R126-E151 IonicContact NE-OE1 3.93Å; R126-E151 VanDerWaalsContact NH1-CD 3.26Å; R126-E151 IonicContact NH1-OE1 3.41Å; R126-E151 PolarHBondContact NH1-OE1 3.37Å; R126-E151 IonicContact NH1-OE2 3.34Å; R126-E151 PolarHBondContact NH1-OE2 3.43Å; R126-E151 VanDerWaalsContact NH1-OE2 3.14Å; R126-E151 IonicContact NH2-OE1 3.51Å; R126-E151 CarbonylContact O-C 3.08Å; R126-E151 WeakPolarHBondContact O-CA 3.33Å; R126-E151 PolarHBondContact O-N 3.17Å; E151-V174 CarbonylContact O-C 3.17Å; E151-V174 WeakPolarHBondContact O-CA 3.27Å; E151-V174 WeakPolarHBondContact O-CG2 3.33Å; E151-N175 PolarHBondContact O-N 2.98Å; E151-T176 PolarHBondContact O-N 2.82Å | ||
| 152 | D | 98.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 22% | 0.219 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.1 | 174.8 | -57.1 | -54.3 | 0 | 0 | 0 | 111.2 | R126 H127 L128 T176 | R126-D152 PolarHBondContact O-N 3.13Å; H127-D152 WeakPolarHBondContact CA-O 3.36Å; H127-D152 IonicContact CE1-OD2 2.99Å; H127-D152 PolarHBondContact CE1-OD2 2.92Å; H127-D152 VanDerWaalsContact CE1-OD2 3.29Å; H127-D152 IonicContact CG-OD2 3.89Å; H127-D152 IonicContact ND1-OD2 3.02Å; H127-D152 PolarHBondContact ND1-OD2 3.39Å; L128-D152 PolarHBondContact N-O 3.1Å; D152-T176 WeakPolarHBondContact OD1-CB 3.38Å; D152-T176 PolarHBondContact OD1-OG1 3.15Å |
| 153 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.3 | 174.1 | 178.8 | 56.4 | 0 | 0 | 0 | 109.9 | L128 F143 L150 L155 I168 L171 T176 L177 N178 | L128-L153 HydrophobicContact CB-CD1 4.12Å; L128-L153 HydrophobicContact CD2-CD1 4.06Å; L128-L153 HydrophobicContact CG-CD1 4.11Å; F143-L153 HydrophobicContact CE2-CD2 4.16Å; L150-L153 HydrophobicContact CD2-CB 3.88Å; L150-L153 HydrophobicContact CD2-CD1 4.37Å; L150-L153 HydrophobicContact CD2-CD2 4.27Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L153-L155 HydrophobicContact CD1-CD2 4.01Å; L153-L155 HydrophobicContact CD1-CG 4.11Å; L153-L155 HydrophobicContact CD2-CD1 4.35Å; L153-L155 HydrophobicContact CG-CD1 4.46Å; L153-L155 HydrophobicContact CG-CG 4.13Å; L153-I168 HydrophobicContact CD2-CG1 4.43Å; L153-L171 HydrophobicContact CD2-CD1 4.02Å; L153-T176 PolarHBondContact N-O 3.35Å; L153-L177 HydrophobicContact CB-CD1 3.83Å; L153-L177 HydrophobicContact CD2-CD1 3.8Å; L153-L177 HydrophobicContact CG-CD1 3.98Å; L153-N178 PolarHBondContact O-N 3.31Å |
| 154 | D | 98.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.128 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 109.1 | 179.1 | 178 | 14.4 | 0 | 0 | 0 | 110.2 | L128 I129 L130 S131 S156 | L128-D154 PolarHBondContact O-N 2.82Å; I129-D154 HydrophobicContact CD1-CB 3.94Å; I129-D154 HydrophobicContact CG2-CB 4.12Å; I129-D154 WeakPolarHBondContact CG2-OD2 3.39Å; L130-D154 WeakPolarHBondContact CA-O 2.99Å; L130-D154 PolarHBondContact N-O 2.8Å; S131-D154 WeakPolarHBondContact CB-OD1 3.48Å; S131-D154 WeakPolarHBondContact CB-OD2 3.48Å; S131-D154 PolarHBondContact N-O 2.79Å; S131-D154 PolarHBondContact OG-OD2 3.17Å; D154-S156 WeakPolarHBondContact OD1-CB 3.37Å; D154-S156 PolarHBondContact OD1-N 2.9Å; D154-S156 VanDerWaalsContact OD1-N 3.09Å; D154-S156 PolarHBondContact OD1-OG 3.22Å; D154-S156 VanDerWaalsContact OD1-OG 3.06Å |
| 155 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -110.2 | 9.8 | 177.9 | -62.2 | 178.5 | 0 | 0 | 0 | 112.2 | L130 I138 F143 L153 N158 L160 V163 N178 M179 N182 | L130-L155 HydrophobicContact CB-CD2 4.14Å; L130-L155 HydrophobicContact CD1-CD2 3.88Å; I138-L155 HydrophobicContact CD1-CD1 4.23Å; I138-L155 HydrophobicContact CD1-CD2 3.99Å; F143-L155 HydrophobicContact CZ-CD2 4.48Å; L153-L155 HydrophobicContact CD1-CD2 4.01Å; L153-L155 HydrophobicContact CD1-CG 4.11Å; L153-L155 HydrophobicContact CD2-CD1 4.35Å; L153-L155 HydrophobicContact CG-CD1 4.46Å; L153-L155 HydrophobicContact CG-CG 4.13Å; L155-N158 PolarHBondContact O-ND2 2.72Å; L155-L160 HydrophobicContact CB-CD1 4.15Å; L155-L160 HydrophobicContact CD1-CD1 4.16Å; L155-V163 HydrophobicContact CD1-CG1 4.49Å; L155-N178 PolarHBondContact N-O 3.47Å; L155-M179 HydrophobicContact CD1-CE 4.25Å; L155-N182 PolarHBondContact O-ND2 3.13Å | ||
| 156 | S | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | trans | -65.9 | 155.6 | -168 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | S131 N132 D154 N158 N178 D180 | S131-S156 CarbonylContact C-O 3.57Å; S131-S156 WeakPolarHBondContact CA-O 3.34Å; S131-S156 VanDerWaalsContact CB-O 3.24Å; S131-S156 WeakPolarHBondContact CB-O 3.05Å; N132-S156 PolarHBondContact N-O 3.26Å; D154-S156 WeakPolarHBondContact OD1-CB 3.37Å; D154-S156 PolarHBondContact OD1-N 2.9Å; D154-S156 VanDerWaalsContact OD1-N 3.09Å; D154-S156 PolarHBondContact OD1-OG 3.22Å; D154-S156 VanDerWaalsContact OD1-OG 3.06Å; S156-N158 PolarHBondContact O-ND2 3.03Å; S156-N178 VanDerWaalsContact OG-CB 3.27Å; S156-N178 WeakPolarHBondContact OG-CB 3.43Å; S156-D180 CarbonylContact C-O 3.15Å; S156-D180 WeakPolarHBondContact CA-O 3.35Å; S156-D180 WeakPolarHBondContact CB-O 3.25Å; S156-D180 WeakPolarHBondContact CB-OD1 3.18Å; S156-D180 PolarHBondContact OG-N 3.25Å; S156-D180 PolarHBondContact OG-OD1 3Å | ||
| 157 | Y | 98.7 | Very high | 96.9 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 48% | 0.478 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 54 | 64.3 | -178.1 | -61.3 | -100 | 0 | 0 | 0 | 111.8 | N132 N133 D180 H181 | N132-Y157 WeakPolarHBondContact CA-O 3.44Å; N132-Y157 PolarHBondContact N-O 2.92Å; N133-Y157 PolarHBondContact N-O 3.15Å; N133-Y157 VanDerWaalsContact N-O 3.1Å; Y157-D180 VanDerWaalsContact CE2-OD2 3.23Å; Y157-D180 WeakPolarHBondContact CE2-OD2 3.36Å; Y157-D180 PolarHBondContact N-O 2.81Å; Y157-H181 CarbonylContact C-O 3.42Å; Y157-H181 WeakPolarHBondContact CA-O 3.2Å; Y157-H181 HydrophobicContact CD1-CB 3.78Å; Y157-H181 AromaticContact CD1-CG 3.96Å; Y157-H181 HydrophobicContact CD2-CB 4.15Å; Y157-H181 HydrophobicContact CE1-CB 4Å; Y157-H181 AromaticContact CE1-CD2 3.96Å; Y157-H181 AromaticContact CE1-CG 3.63Å; Y157-H181 AromaticContact CE1-ND1 3.82Å; Y157-H181 HydrophobicContact CE2-CB 4.32Å; Y157-H181 AromaticContact CE2-ND1 3.58Å; Y157-H181 HydrophobicContact CG-CB 3.86Å; Y157-H181 AromaticContact CZ-CE1 3.74Å; Y157-H181 AromaticContact CZ-CG 3.67Å; Y157-H181 AromaticContact CZ-ND1 3.34Å; Y157-H181 VanDerWaalsContact CZ-ND1 3.34Å; Y157-H181 PolarHBondContact N-O 2.89Å; Y157-H181 PolarHBondContact OH-CE1 2.88Å; Y157-H181 PolarHBondContact OH-ND1 3.21Å |
| 158 | N | 98.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -138.4 | -171.8 | 176.3 | -86.5 | -73.6 | 0 | 0 | 0 | 109.7 | L130 N133 Q134 L135 L155 S156 L160 H181 N182 | L130-N158 PolarHBondContact O-ND2 3.03Å; L130-N158 VanDerWaalsContact O-ND2 3.12Å; N133-N158 WeakPolarHBondContact CA-OD1 3.39Å; N133-N158 WeakPolarHBondContact CB-OD1 3.4Å; N133-N158 PolarHBondContact N-OD1 3.02Å; Q134-N158 PolarHBondContact N-OD1 2.83Å; L135-N158 HydrophobicContact CB-CB 4.22Å; L135-N158 VanDerWaalsContact CB-OD1 3.25Å; L135-N158 WeakPolarHBondContact CB-OD1 3.43Å; L135-N158 WeakPolarHBondContact CG-OD1 3.37Å; L135-N158 PolarHBondContact N-OD1 3.44Å; L155-N158 PolarHBondContact O-ND2 2.72Å; S156-N158 PolarHBondContact O-ND2 3.03Å; N158-L160 HydrophobicContact CB-CD1 4.47Å; N158-L160 HydrophobicContact CB-CG 4.23Å; N158-H181 PolarHBondContact N-O 2.85Å; N158-N182 WeakPolarHBondContact CA-OD1 3.28Å; N158-N182 WeakPolarHBondContact CB-OD1 3.23Å; N158-N182 PolarHBondContact O-OD1 2.91Å |
| 159 | N | 98.3 | Very high | 96.9 | Very high | 74 Ų | 74 | 36.3 Ų | 36.3 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | trans | -114.3 | 25.8 | -176.1 | -65.2 | 85 | 0 | 0 | 0 | 111.6 | Q134 L135 H136 D161 | Q134-N159 WeakPolarHBondContact CA-OD1 3.23Å; L135-N159 CarbonylContact O-C 3.22Å; L135-N159 VanDerWaalsContact O-CA 3.22Å; L135-N159 WeakPolarHBondContact O-CA 3.03Å; L135-N159 WeakPolarHBondContact O-CB 3.46Å; L135-N159 PolarHBondContact O-N 2.92Å; H136-N159 HydrophobicContact CB-CB 4.21Å; N159-D161 PolarHBondContact O-N 2.84Å | ||
| 160 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -74.9 | 113.5 | -172.8 | -59.8 | 170.3 | 0 | 0 | 0 | 110.7 | L135 I138 L155 N158 V163 N182 L183 I184 | L135-L160 HydrophobicContact CB-CD2 3.94Å; L135-L160 HydrophobicContact CB-CG 4.42Å; L135-L160 WeakPolarHBondContact O-CD2 3.08Å; L135-L160 WeakPolarHBondContact O-CG 3.09Å; L135-L160 PolarHBondContact O-N 3.41Å; L135-L160 VanDerWaalsContact O-N 3.13Å; I138-L160 HydrophobicContact CD1-CD1 3.82Å; I138-L160 HydrophobicContact CD1-CD2 3.82Å; I138-L160 HydrophobicContact CG1-CD2 3.85Å; L155-L160 HydrophobicContact CB-CD1 4.15Å; L155-L160 HydrophobicContact CD1-CD1 4.16Å; N158-L160 HydrophobicContact CB-CD1 4.47Å; N158-L160 HydrophobicContact CB-CG 4.23Å; L160-V163 HydrophobicContact CB-CG2 4.32Å; L160-N182 HydrophobicContact CB-CB 4.45Å; L160-N182 VanDerWaalsContact CB-OD1 3.31Å; L160-N182 WeakPolarHBondContact CB-OD1 3.35Å; L160-N182 WeakPolarHBondContact CG-OD1 3.29Å; L160-N182 PolarHBondContact N-OD1 3.3Å; L160-N182 VanDerWaalsContact N-OD1 3.11Å; L160-L183 CarbonylContact O-C 3.59Å; L160-L183 VanDerWaalsContact O-CA 3.26Å; L160-L183 WeakPolarHBondContact O-CA 3.1Å; L160-L183 PolarHBondContact O-N 3.23Å; L160-I184 WeakPolarHBondContact O-CG1 3.3Å; L160-I184 PolarHBondContact O-N 2.73Å; L160-I184 VanDerWaalsContact O-N 3.07Å | ||
| 161 | D | 95.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -85.7 | -38.7 | 165.1 | 64.9 | -34.3 | 0 | 0 | 0 | 110.9 | N159 L183 | N159-D161 PolarHBondContact O-N 2.84Å; D161-L183 HydrophobicContact CB-CB 4.4Å |
| 162 | Q | 92.5 | Very high | 96.5 | Very high | 133 Ų | 133 | 40.6 Ų | 40.6 | 62% | 0.621 | 20% | 0.2 | S | C | * | . | trans | -118.2 | 148.8 | 176.5 | -61 | -175.4 | 21.6 | 0 | 0 | 111.9 | ||||
| 163 | V | 95 | Very high | 96.4 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | trans | -138.4 | 143.1 | -174.1 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | L155 L160 W165 I168 M179 I184 | L155-V163 HydrophobicContact CD1-CG1 4.49Å; L160-V163 HydrophobicContact CB-CG2 4.32Å; V163-W165 HydrophobicContact CB-CD2 4.27Å; V163-W165 HydrophobicContact CB-CH2 4.49Å; V163-W165 HydrophobicContact CB-CZ2 4.08Å; V163-W165 HydrophobicContact CG2-CZ2 4.24Å; V163-W165 VanDerWaalsContact O-CD1 3.23Å; V163-W165 PolarHBondContact O-N 2.8Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; V163-M179 HydrophobicContact CG1-CE 4Å; V163-M179 HydrophobicContact CG1-SD 4.46Å; V163-I184 HydrophobicContact CG2-CD1 3.68Å; V163-I184 HydrophobicContact CG2-CG1 3.78Å | ||
| 164 | P | 96.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 8% | 0.078 | 20% | 0.201 | C | C | . | . | trans | -73.3 | 70.4 | -179.6 | 31.8 | -39.6 | 0 | 0 | 0 | 112.4 | I138 F143 D166 T167 I168 | I138-P164 HydrophobicContact CB-CG 4.35Å; I138-P164 HydrophobicContact CG2-CG 3.84Å; F143-P164 HydrophobicContact CD2-CG 4.14Å; F143-P164 HydrophobicContact CE2-CG 3.9Å; P164-D166 VanDerWaalsContact C-N 3.33Å; P164-D166 PolarHBondContact O-N 3.29Å; P164-T167 PolarHBondContact O-N 2.84Å; P164-T167 VanDerWaalsContact O-N 3.09Å; P164-I168 HydrophobicContact CG-CD1 4.22Å; P164-I168 PolarHBondContact O-N 3.13Å | ||
| 165 | W | 95.6 | Very high | 96.1 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 13% | 0.125 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.8 | -42.4 | -174.2 | -67.5 | 121.8 | 0 | 0 | 0 | 113.6 | V163 T167 I168 G169 M179 I184 V187 P188 V191 F192 | V163-W165 HydrophobicContact CB-CD2 4.27Å; V163-W165 HydrophobicContact CB-CH2 4.49Å; V163-W165 HydrophobicContact CB-CZ2 4.08Å; V163-W165 HydrophobicContact CG2-CZ2 4.24Å; V163-W165 VanDerWaalsContact O-CD1 3.23Å; V163-W165 PolarHBondContact O-N 2.8Å; W165-T167 PolarHBondContact O-N 2.92Å; W165-I168 HydrophobicContact CE3-CG2 4.48Å; W165-I168 PolarHBondContact O-N 2.85Å; W165-G169 PolarHBondContact O-N 3.47Å; W165-M179 HydrophobicContact CH2-SD 3.91Å; W165-M179 HydrophobicContact CZ3-CE 4.1Å; W165-M179 HydrophobicContact CZ3-SD 4.06Å; W165-I184 HydrophobicContact CH2-CG2 4.34Å; W165-I184 HydrophobicContact CZ2-CG2 3.71Å; W165-V187 HydrophobicContact CH2-CG2 4.04Å; W165-V187 HydrophobicContact CZ2-CG2 4.21Å; W165-P188 HydrophobicContact CB-CG 3.84Å; W165-P188 VanDerWaalsContact CD1-CG 3.48Å; W165-P188 HydrophobicContact CD2-CG 4.23Å; W165-P188 HydrophobicContact CG-CG 3.59Å; W165-V191 HydrophobicContact CB-CG2 4.04Å; W165-V191 HydrophobicContact CE3-CG1 4.49Å; W165-V191 HydrophobicContact CE3-CG2 4.12Å; W165-V191 WeakPolarHBondContact O-CG2 3.41Å; W165-F192 HydrophobicContact CZ3-CE1 4.36Å; W165-F192 HydrophobicContact CZ3-CZ 4.37Å |
| 166 | D | 94.4 | Very high | 96 | Very high | 132 Ų | 132 | 43.9 Ų | 43.9 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -55.4 | -39.3 | 178.1 | -65.4 | -26 | 0 | 0 | 0 | 112.3 | P164 R170 | P164-D166 VanDerWaalsContact C-N 3.33Å; P164-D166 PolarHBondContact O-N 3.29Å; D166-R170 WeakPolarHBondContact O-CG 3.42Å; D166-R170 PolarHBondContact O-NH1 3.15Å |
| 167 | T | 95 | Very high | 96 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -83 | -35.1 | -177.9 | -54 | 0 | 0 | 0 | 0 | 111 | P140 F143 D144 V147 P164 W165 R170 | P140-T167 PolarHBondContact O-OG1 2.93Å; F143-T167 HydrophobicContact CB-CG2 3.83Å; D144-T167 WeakPolarHBondContact OD1-CG2 3.33Å; V147-T167 HydrophobicContact CG2-CG2 3.81Å; P164-T167 PolarHBondContact O-N 2.84Å; P164-T167 VanDerWaalsContact O-N 3.09Å; W165-T167 PolarHBondContact O-N 2.92Å; T167-R170 PolarHBondContact O-N 2.85Å; T167-R170 PolarHBondContact OG1-NH2 2.87Å |
| 168 | I | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 172.7 | -78.1 | 151.4 | 0 | 0 | 0 | 112.2 | L153 V163 P164 W165 R170 L171 L177 M179 | L153-I168 HydrophobicContact CD2-CG1 4.43Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; P164-I168 HydrophobicContact CG-CD1 4.22Å; P164-I168 PolarHBondContact O-N 3.13Å; W165-I168 HydrophobicContact CE3-CG2 4.48Å; W165-I168 PolarHBondContact O-N 2.85Å; I168-R170 PolarHBondContact O-N 2.9Å; I168-R170 VanDerWaalsContact O-N 3.1Å; I168-L171 HydrophobicContact CB-CD1 4.34Å; I168-L171 HydrophobicContact CG1-CD1 4.04Å; I168-L171 WeakPolarHBondContact O-CB 3.39Å; I168-L171 WeakPolarHBondContact O-CG 3.41Å; I168-L171 PolarHBondContact O-N 3.16Å; I168-L177 HydrophobicContact CG2-CD2 3.93Å; I168-M179 HydrophobicContact CD1-CE 3.74Å; I168-M179 HydrophobicContact CG2-CE 4.4Å |
| 169 | G | 94.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 39 Ų | 39 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -8.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | W165 V191 | W165-G169 PolarHBondContact O-N 3.47Å; G169-V191 WeakPolarHBondContact CA-O 3.24Å |
| 170 | R | 95.4 | Very high | 95.9 | Very high | 101 Ų | 101 | 36.4 Ų | 36.4 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.6 | 171.5 | -61.9 | -172.6 | -59.7 | -93.4 | 12.1 | 113.8 | D144 V147 D166 T167 I168 T172 | D144-R170 IonicContact OD1-CZ 2.65Å; D144-R170 IonicContact OD1-NH2 3.46Å; D144-R170 PolarHBondContact OD1-NH2 3.11Å; V147-R170 HydrophobicContact CG1-CB 3.42Å; V147-R170 VanDerWaalsContact CG1-CB 3.42Å; V147-R170 WeakPolarHBondContact CG1-O 3.23Å; D166-R170 WeakPolarHBondContact O-CG 3.42Å; D166-R170 PolarHBondContact O-NH1 3.15Å; T167-R170 PolarHBondContact O-N 2.85Å; T167-R170 PolarHBondContact OG1-NH2 2.87Å; I168-R170 PolarHBondContact O-N 2.9Å; I168-R170 VanDerWaalsContact O-N 3.1Å; R170-T172 PolarHBondContact O-N 3.07Å |
| 171 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -74.2 | 58.6 | -176.1 | -59 | 177.7 | 0 | 0 | 0 | 113.3 | V147 L150 L153 I168 N173 V174 L195 | V147-L171 HydrophobicContact CB-CD2 4.37Å; V147-L171 HydrophobicContact CG1-CD2 4.47Å; V147-L171 HydrophobicContact CG2-CD2 4.26Å; L150-L171 HydrophobicContact CB-CD2 4.41Å; L150-L171 HydrophobicContact CD2-CD1 4.16Å; L150-L171 HydrophobicContact CD2-CD2 4.32Å; L153-L171 HydrophobicContact CD2-CD1 4.02Å; I168-L171 HydrophobicContact CB-CD1 4.34Å; I168-L171 HydrophobicContact CG1-CD1 4.04Å; I168-L171 WeakPolarHBondContact O-CB 3.39Å; I168-L171 WeakPolarHBondContact O-CG 3.41Å; I168-L171 PolarHBondContact O-N 3.16Å; L171-N173 PolarHBondContact O-N 3.5Å; L171-V174 HydrophobicContact CB-CB 4.05Å; L171-V174 HydrophobicContact CB-CG1 4.32Å; L171-V174 WeakPolarHBondContact O-CB 3.02Å; L171-V174 PolarHBondContact O-N 3.11Å; L171-L195 HydrophobicContact CB-CD2 4.26Å; L171-L195 WeakPolarHBondContact O-CD2 3.15Å | ||
| 172 | T | 93.1 | Very high | 96 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 41% | 0.405 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.2 | -172.2 | 52.7 | 0 | 0 | 0 | 0 | 116 | R170 | R170-T172 PolarHBondContact O-N 3.07Š|
| 173 | N | 95.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 33.5 Ų | 33.5 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -1.6 | 178.4 | -82.3 | -39.1 | 0 | 0 | 0 | 115 | T148 L150 L171 N175 K197 | T148-N173 PolarHBondContact O-ND2 3.04Å; L150-N173 CarbonylContact O-C 3.58Å; L150-N173 WeakPolarHBondContact O-CB 3.24Å; L171-N173 PolarHBondContact O-N 3.5Å; N173-N175 PolarHBondContact O-N 3.43Å; N173-K197 WeakPolarHBondContact OD1-CE 3.2Å; N173-K197 PolarHBondContact OD1-NZ 3.35Å |
| 174 | V | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -72.6 | 130.4 | -174.6 | 98.7 | 0 | 0 | 0 | 0 | 111.5 | L150 E151 L171 L195 K197 L198 | L150-V174 PolarHBondContact O-N 3.04Å; E151-V174 CarbonylContact O-C 3.17Å; E151-V174 WeakPolarHBondContact O-CA 3.27Å; E151-V174 WeakPolarHBondContact O-CG2 3.33Å; L171-V174 HydrophobicContact CB-CB 4.05Å; L171-V174 HydrophobicContact CB-CG1 4.32Å; L171-V174 WeakPolarHBondContact O-CB 3.02Å; L171-V174 PolarHBondContact O-N 3.11Å; V174-L195 HydrophobicContact CG1-CD1 4.32Å; V174-K197 CarbonylContact O-C 3.55Å; V174-K197 VanDerWaalsContact O-C 3.31Å; V174-L198 HydrophobicContact CG1-CD1 3.61Å; V174-L198 WeakPolarHBondContact O-CA 3.49Å; V174-L198 PolarHBondContact O-N 2.66Å; V174-L198 VanDerWaalsContact O-N 3.14Å | ||
| 175 | N | 95 | Very high | 96.4 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 29% | 0.289 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -102.4 | -39.4 | 177.9 | -52.4 | -61.7 | 0 | 0 | 0 | 110.6 | E151 N173 A199 R200 | E151-N175 PolarHBondContact O-N 2.98Å; N173-N175 PolarHBondContact O-N 3.43Å; N175-A199 PolarHBondContact O-N 3.13Å; N175-R200 PolarHBondContact O-N 3.25Å; N175-R200 VanDerWaalsContact O-N 3.07Å |
| 176 | T | 96.8 | Very high | 96.3 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125 | -178.5 | -44.1 | 0 | 0 | 0 | 0 | 110.3 | E151 D152 L153 N178 R200 | E151-T176 PolarHBondContact O-N 2.82Å; D152-T176 WeakPolarHBondContact OD1-CB 3.38Å; D152-T176 PolarHBondContact OD1-OG1 3.15Å; L153-T176 PolarHBondContact N-O 3.35Å; T176-N178 WeakPolarHBondContact CG2-OD1 3.35Å; T176-R200 HydrophobicContact CG2-CB 4.27Å; T176-R200 HydrophobicContact CG2-CG 4.44Å |
| 177 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 103.9 | 173.7 | -171.5 | 60.3 | 0 | 0 | 0 | 109.1 | L153 I168 M179 F192 L198 R200 L201 D202 | L153-L177 HydrophobicContact CB-CD1 3.83Å; L153-L177 HydrophobicContact CD2-CD1 3.8Å; L153-L177 HydrophobicContact CG-CD1 3.98Å; I168-L177 HydrophobicContact CG2-CD2 3.93Å; L177-M179 HydrophobicContact CD1-CE 3.76Å; L177-M179 HydrophobicContact CD2-CE 3.91Å; L177-M179 HydrophobicContact CG-CE 3.89Å; L177-F192 HydrophobicContact CD2-CE1 4.28Å; L177-L198 HydrophobicContact CB-CD1 3.76Å; L177-R200 PolarHBondContact N-O 3.26Å; L177-L201 HydrophobicContact CB-CD1 4.11Å; L177-L201 HydrophobicContact CD2-CD1 4.02Å; L177-L201 HydrophobicContact CG-CD1 4.13Å; L177-L201 WeakPolarHBondContact O-CA 3.46Å; L177-D202 PolarHBondContact O-N 3.3Å |
| 178 | N | 98.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 37 Ų | 37 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.7 | 177.5 | -56.2 | -17 | 0 | 0 | 0 | 109.9 | L153 L155 S156 T176 | L153-N178 PolarHBondContact O-N 3.31Å; L155-N178 PolarHBondContact N-O 3.47Å; S156-N178 VanDerWaalsContact OG-CB 3.27Å; S156-N178 WeakPolarHBondContact OG-CB 3.43Å; T176-N178 WeakPolarHBondContact CG2-OD1 3.35Å |
| 179 | M | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -135.4 | 17.9 | 177.4 | -62.5 | -176.3 | 177.7 | 0 | 0 | 111.4 | L155 V163 W165 I168 L177 N182 I184 D202 N206 | L155-M179 HydrophobicContact CD1-CE 4.25Å; V163-M179 HydrophobicContact CG1-CE 4Å; V163-M179 HydrophobicContact CG1-SD 4.46Å; W165-M179 HydrophobicContact CH2-SD 3.91Å; W165-M179 HydrophobicContact CZ3-CE 4.1Å; W165-M179 HydrophobicContact CZ3-SD 4.06Å; I168-M179 HydrophobicContact CD1-CE 3.74Å; I168-M179 HydrophobicContact CG2-CE 4.4Å; L177-M179 HydrophobicContact CD1-CE 3.76Å; L177-M179 HydrophobicContact CD2-CE 3.91Å; L177-M179 HydrophobicContact CG-CE 3.89Å; M179-N182 PolarHBondContact O-ND2 2.79Å; M179-N182 VanDerWaalsContact O-ND2 3.12Å; M179-I184 HydrophobicContact CB-CD1 3.91Å; M179-I184 HydrophobicContact CG-CD1 4.45Å; M179-I184 HydrophobicContact SD-CD1 3.93Å; M179-D202 PolarHBondContact N-O 3.02Å; M179-N206 PolarHBondContact O-ND2 3.27Å | ||
| 180 | D | 97.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | trans | -64.5 | 155.4 | -176.8 | 66.7 | -83.7 | 0 | 0 | 0 | 112.7 | S156 Y157 N182 D202 T204 | S156-D180 CarbonylContact C-O 3.15Å; S156-D180 WeakPolarHBondContact CA-O 3.35Å; S156-D180 WeakPolarHBondContact CB-O 3.25Å; S156-D180 WeakPolarHBondContact CB-OD1 3.18Å; S156-D180 PolarHBondContact OG-N 3.25Å; S156-D180 PolarHBondContact OG-OD1 3Å; Y157-D180 VanDerWaalsContact CE2-OD2 3.23Å; Y157-D180 WeakPolarHBondContact CE2-OD2 3.36Å; Y157-D180 PolarHBondContact N-O 2.81Å; D180-N182 PolarHBondContact O-ND2 2.93Å; D180-D202 PolarHBondContact N-O 3.05Å; D180-T204 CarbonylContact C-O 3.48Å; D180-T204 WeakPolarHBondContact CA-O 3.42Å; D180-T204 WeakPolarHBondContact CB-O 3.41Å | ||
| 181 | H | 98.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 54.8 | 58.9 | -178.7 | -59.3 | 85.7 | 0 | 0 | 0 | 112.5 | Y157 N158 T204 S205 | Y157-H181 CarbonylContact C-O 3.42Å; Y157-H181 WeakPolarHBondContact CA-O 3.2Å; Y157-H181 HydrophobicContact CD1-CB 3.78Å; Y157-H181 AromaticContact CD1-CG 3.96Å; Y157-H181 HydrophobicContact CD2-CB 4.15Å; Y157-H181 HydrophobicContact CE1-CB 4Å; Y157-H181 AromaticContact CE1-CD2 3.96Å; Y157-H181 AromaticContact CE1-CG 3.63Å; Y157-H181 AromaticContact CE1-ND1 3.82Å; Y157-H181 HydrophobicContact CE2-CB 4.32Å; Y157-H181 AromaticContact CE2-ND1 3.58Å; Y157-H181 HydrophobicContact CG-CB 3.86Å; Y157-H181 AromaticContact CZ-CE1 3.74Å; Y157-H181 AromaticContact CZ-CG 3.67Å; Y157-H181 AromaticContact CZ-ND1 3.34Å; Y157-H181 VanDerWaalsContact CZ-ND1 3.34Å; Y157-H181 PolarHBondContact N-O 2.89Å; Y157-H181 PolarHBondContact OH-CE1 2.88Å; Y157-H181 PolarHBondContact OH-ND1 3.21Å; N158-H181 PolarHBondContact N-O 2.85Å; H181-T204 PolarHBondContact N-O 3.36Å; H181-S205 VanDerWaalsContact CA-O 3.29Å; H181-S205 WeakPolarHBondContact CA-O 3.41Å; H181-S205 WeakPolarHBondContact CD2-CB 3.44Å; H181-S205 PolarHBondContact CD2-OG 3.1Å; H181-S205 PolarHBondContact N-O 3.26Å; H181-S205 WeakPolarHBondContact NE2-CB 3.34Å; H181-S205 PolarHBondContact NE2-OG 3.44Å |
| 182 | N | 98.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -131 | -167.9 | 174.2 | -87 | -79.7 | 0 | 0 | 0 | 110 | L155 N158 L160 M179 D180 I184 S205 N206 | L155-N182 PolarHBondContact O-ND2 3.13Å; N158-N182 WeakPolarHBondContact CA-OD1 3.28Å; N158-N182 WeakPolarHBondContact CB-OD1 3.23Å; N158-N182 PolarHBondContact O-OD1 2.91Å; L160-N182 HydrophobicContact CB-CB 4.45Å; L160-N182 VanDerWaalsContact CB-OD1 3.31Å; L160-N182 WeakPolarHBondContact CB-OD1 3.35Å; L160-N182 WeakPolarHBondContact CG-OD1 3.29Å; L160-N182 PolarHBondContact N-OD1 3.3Å; L160-N182 VanDerWaalsContact N-OD1 3.11Å; M179-N182 PolarHBondContact O-ND2 2.79Å; M179-N182 VanDerWaalsContact O-ND2 3.12Å; D180-N182 PolarHBondContact O-ND2 2.93Å; N182-I184 HydrophobicContact CB-CD1 4.25Å; N182-I184 HydrophobicContact CB-CG1 4.07Å; N182-S205 PolarHBondContact N-O 2.89Å; N182-N206 WeakPolarHBondContact CA-OD1 3.29Å; N182-N206 WeakPolarHBondContact CB-OD1 3.44Å; N182-N206 PolarHBondContact O-OD1 3.18Å |
| 183 | L | 98.3 | Very high | 95.5 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 38% | 0.382 | 22% | 0.223 | S | C | . | . | trans | -115.1 | 18.9 | -179.1 | -60.6 | 176.6 | 0 | 0 | 0 | 112.5 | L160 D161 E185 K207 | L160-L183 CarbonylContact O-C 3.59Å; L160-L183 VanDerWaalsContact O-CA 3.26Å; L160-L183 WeakPolarHBondContact O-CA 3.1Å; L160-L183 PolarHBondContact O-N 3.23Å; D161-L183 HydrophobicContact CB-CB 4.4Å; L183-E185 PolarHBondContact O-N 2.6Å; L183-K207 HydrophobicContact CD2-CG 4.45Å | ||
| 184 | I | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -64.4 | 121.2 | -170.8 | -56.9 | 170 | 0 | 0 | 0 | 109.8 | L160 V163 W165 M179 N182 N206 K207 L208 | L160-I184 WeakPolarHBondContact O-CG1 3.3Å; L160-I184 PolarHBondContact O-N 2.73Å; L160-I184 VanDerWaalsContact O-N 3.07Å; V163-I184 HydrophobicContact CG2-CD1 3.68Å; V163-I184 HydrophobicContact CG2-CG1 3.78Å; W165-I184 HydrophobicContact CH2-CG2 4.34Å; W165-I184 HydrophobicContact CZ2-CG2 3.71Å; M179-I184 HydrophobicContact CB-CD1 3.91Å; M179-I184 HydrophobicContact CG-CD1 4.45Å; M179-I184 HydrophobicContact SD-CD1 3.93Å; N182-I184 HydrophobicContact CB-CD1 4.25Å; N182-I184 HydrophobicContact CB-CG1 4.07Å; I184-N206 HydrophobicContact CB-CB 4.41Å; I184-N206 VanDerWaalsContact CB-OD1 3.3Å; I184-N206 WeakPolarHBondContact CB-OD1 3.4Å; I184-N206 VanDerWaalsContact CG1-OD1 3.31Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.44Å; I184-N206 PolarHBondContact N-OD1 2.89Å; I184-K207 CarbonylContact O-C 3.53Å; I184-K207 VanDerWaalsContact O-CA 3.24Å; I184-K207 WeakPolarHBondContact O-CA 3.27Å; I184-K207 WeakPolarHBondContact O-CB 3.49Å; I184-K207 PolarHBondContact O-N 3.06Å; I184-L208 HydrophobicContact CB-CD2 4.41Å; I184-L208 HydrophobicContact CG2-CD2 3.87Å; I184-L208 WeakPolarHBondContact O-CD2 3.31Å; I184-L208 PolarHBondContact O-N 3.25Å; I184-L208 VanDerWaalsContact O-N 3.13Å | ||
| 185 | E | 95.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 43.2 Ų | 43.2 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | trans | -88.4 | -35.9 | -177.3 | -61.6 | -166.3 | 166.3 | 0 | 0 | 114 | L183 K207 L208 | L183-E185 PolarHBondContact O-N 2.6Å; E185-K207 HydrophobicContact CG-CB 4.05Å; E185-L208 WeakPolarHBondContact O-CA 3.42Å | ||
| 186 | N | 93.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 45% | 0.449 | 25% | 0.25 | S | C | . | . | trans | -144.8 | 145.4 | -170.6 | -61.6 | -74.8 | 0 | 0 | 0 | 111.7 | ||||
| 187 | V | 95.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -110.8 | 127.2 | 170.8 | 177.3 | 0 | 0 | 0 | 0 | 108.5 | W165 V191 F192 M203 L208 P212 | W165-V187 HydrophobicContact CH2-CG2 4.04Å; W165-V187 HydrophobicContact CZ2-CG2 4.21Å; V187-V191 HydrophobicContact CG1-CG1 3.69Å; V187-F192 HydrophobicContact CG1-CE2 3.66Å; V187-F192 HydrophobicContact CG1-CZ 3.78Å; V187-M203 HydrophobicContact CG2-SD 4Å; V187-L208 HydrophobicContact CG2-CD1 4.38Å; V187-L208 HydrophobicContact CG2-CD2 3.84Å; V187-P212 HydrophobicContact CB-CG 4.26Å; V187-P212 HydrophobicContact CG1-CG 4.07Å; V187-P212 WeakPolarHBondContact O-CG 3.34Å | ||
| 188 | P | 94.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | trans | -65.6 | 144.9 | 176.5 | -23.1 | 34.8 | 0 | 0 | 0 | 112.8 | W165 G190 V191 | W165-P188 HydrophobicContact CB-CG 3.84Å; W165-P188 VanDerWaalsContact CD1-CG 3.48Å; W165-P188 HydrophobicContact CD2-CG 4.23Å; W165-P188 HydrophobicContact CG-CG 3.59Å; P188-G190 PolarHBondContact O-N 2.9Å; P188-V191 HydrophobicContact CB-CB 4.46Å; P188-V191 VanDerWaalsContact O-CG1 3.27Å; P188-V191 WeakPolarHBondContact O-CG1 3.07Å; P188-V191 PolarHBondContact O-N 2.65Å | ||
| 189 | Q | 91.3 | Very high | 94.1 | Very high | 160 Ų | 160 | 51 Ų | 51 | 75% | 0.748 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 135.5 | 178.4 | -173.3 | 176.8 | 4.7 | 0 | 0 | 111.5 | V191 P212 | Q189-V191 PolarHBondContact O-N 2.93Å; Q189-P212 HydrophobicContact CB-CB 4.16Å; Q189-P212 HydrophobicContact CG-CB 4.33Å |
| 190 | G | 90.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P188 F192 T193 D214 | P188-G190 PolarHBondContact O-N 2.9Å; G190-F192 PolarHBondContact O-N 2.87Å; G190-F192 VanDerWaalsContact O-N 3.16Å; G190-T193 WeakPolarHBondContact CA-OG1 3.4Å; G190-T193 WeakPolarHBondContact O-CB 3.48Å; G190-T193 PolarHBondContact O-N 2.92Å; G190-T193 VanDerWaalsContact O-N 3.15Å; G190-T193 PolarHBondContact O-OG1 2.04Å; G190-D214 WeakPolarHBondContact CA-OD2 3.38Å |
| 191 | V | 94.4 | Very high | 93.7 | Very high | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.7 | -179.5 | 69 | 0 | 0 | 0 | 0 | 113 | W165 G169 V187 P188 Q189 | W165-V191 HydrophobicContact CB-CG2 4.04Å; W165-V191 HydrophobicContact CE3-CG1 4.49Å; W165-V191 HydrophobicContact CE3-CG2 4.12Å; W165-V191 WeakPolarHBondContact O-CG2 3.41Å; G169-V191 WeakPolarHBondContact CA-O 3.24Å; V187-V191 HydrophobicContact CG1-CG1 3.69Å; P188-V191 HydrophobicContact CB-CB 4.46Å; P188-V191 VanDerWaalsContact O-CG1 3.27Å; P188-V191 WeakPolarHBondContact O-CG1 3.07Å; P188-V191 PolarHBondContact O-N 2.65Å; Q189-V191 PolarHBondContact O-N 2.93Å |
| 192 | F | 93.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -4.4 | -178.5 | -51.2 | -53.3 | 0 | 0 | 0 | 114.1 | W165 L177 V187 G190 N194 L195 L201 M203 D214 L216 F217 | W165-F192 HydrophobicContact CZ3-CE1 4.36Å; W165-F192 HydrophobicContact CZ3-CZ 4.37Å; L177-F192 HydrophobicContact CD2-CE1 4.28Å; V187-F192 HydrophobicContact CG1-CE2 3.66Å; V187-F192 HydrophobicContact CG1-CZ 3.78Å; G190-F192 PolarHBondContact O-N 2.87Å; G190-F192 VanDerWaalsContact O-N 3.16Å; F192-N194 PolarHBondContact O-N 2.84Å; F192-L195 HydrophobicContact CB-CD1 4.39Å; F192-L195 HydrophobicContact CD1-CD1 3.77Å; F192-L195 WeakPolarHBondContact O-CB 3.39Å; F192-L195 PolarHBondContact O-N 2.86Å; F192-L201 HydrophobicContact CD2-CD2 4.2Å; F192-L201 HydrophobicContact CE1-CD2 4.27Å; F192-L201 HydrophobicContact CE2-CD2 3.73Å; F192-L201 HydrophobicContact CZ-CD1 4.45Å; F192-L201 HydrophobicContact CZ-CD2 3.77Å; F192-M203 HydrophobicContact CZ-SD 4.37Å; F192-D214 WeakPolarHBondContact CA-OD2 3.44Å; F192-D214 PolarHBondContact N-OD2 2.94Å; F192-D214 VanDerWaalsContact N-OD2 3.14Å; F192-L216 HydrophobicContact CB-CB 4.37Å; F192-L216 HydrophobicContact CB-CD2 3.67Å; F192-L216 HydrophobicContact CG-CD2 4.37Å; F192-F217 HydrophobicContact CD2-CE2 4.44Å; F192-F217 AromaticContact CD2-CZ 3.86Å; F192-F217 HydrophobicContact CD2-CZ 3.86Å; F192-F217 HydrophobicContact CE2-CZ 4.08Å |
| 193 | T | 90.4 | Very high | 93.5 | Very high | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.35 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -41.4 | -176 | -54.5 | 0 | 0 | 0 | 0 | 113.6 | G190 H196 D214 | G190-T193 WeakPolarHBondContact CA-OG1 3.4Å; G190-T193 WeakPolarHBondContact O-CB 3.48Å; G190-T193 PolarHBondContact O-N 2.92Å; G190-T193 VanDerWaalsContact O-N 3.15Å; G190-T193 PolarHBondContact O-OG1 2.04Å; T193-H196 PolarHBondContact O-CE1 2.83Å; T193-H196 PolarHBondContact O-ND1 3Å; T193-D214 PolarHBondContact N-OD2 3.46Å; T193-D214 VanDerWaalsContact N-OD2 3.13Å |
| 194 | N | 90.2 | Very high | 93.4 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.9 | -176 | -59 | -45.4 | 0 | 0 | 0 | 114.2 | F192 H196 | F192-N194 PolarHBondContact O-N 2.84Å; N194-H196 PolarHBondContact O-N 2.86Å |
| 195 | L | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -86.5 | 52.7 | -173.2 | -52.7 | -170.7 | 0 | 0 | 0 | 111.5 | L171 V174 F192 K197 L198 | L171-L195 HydrophobicContact CB-CD2 4.26Å; L171-L195 WeakPolarHBondContact O-CD2 3.15Å; V174-L195 HydrophobicContact CG1-CD1 4.32Å; F192-L195 HydrophobicContact CB-CD1 4.39Å; F192-L195 HydrophobicContact CD1-CD1 3.77Å; F192-L195 WeakPolarHBondContact O-CB 3.39Å; F192-L195 PolarHBondContact O-N 2.86Å; L195-K197 PolarHBondContact O-N 2.87Å; L195-L198 HydrophobicContact CB-CB 4.12Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.27Å; L195-L198 PolarHBondContact O-N 3.46Å | ||
| 196 | H | 89.1 | Confident | 93.5 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.8 | -172 | -52.1 | -49.5 | 0 | 0 | 0 | 114.4 | T193 N194 R219 | T193-H196 PolarHBondContact O-CE1 2.83Å; T193-H196 PolarHBondContact O-ND1 3Å; N194-H196 PolarHBondContact O-N 2.86Å; H196-R219 PolarHBondContact O-NH1 2.53Å; H196-R219 VanDerWaalsContact O-NH1 3.15Å |
| 197 | K | 92.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 47% | 0.47 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -11.7 | 175.2 | -64.3 | -163.4 | -174.5 | 174.1 | 0 | 114.1 | N173 V174 L195 A199 | N173-K197 WeakPolarHBondContact OD1-CE 3.2Å; N173-K197 PolarHBondContact OD1-NZ 3.35Å; V174-K197 CarbonylContact O-C 3.55Å; V174-K197 VanDerWaalsContact O-C 3.31Å; L195-K197 PolarHBondContact O-N 2.87Å; K197-A199 PolarHBondContact O-N 3.11Å |
| 198 | L | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -58.4 | 126.7 | -177 | -162.2 | 72.4 | 0 | 0 | 0 | 109.8 | V174 L177 L195 R200 L201 L216 R219 L234 | V174-L198 HydrophobicContact CG1-CD1 3.61Å; V174-L198 WeakPolarHBondContact O-CA 3.49Å; V174-L198 PolarHBondContact O-N 2.66Å; V174-L198 VanDerWaalsContact O-N 3.14Å; L177-L198 HydrophobicContact CB-CD1 3.76Å; L195-L198 HydrophobicContact CB-CB 4.12Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.27Å; L195-L198 PolarHBondContact O-N 3.46Å; L198-R200 WeakPolarHBondContact CD1-O 3.22Å; L198-L201 HydrophobicContact CD2-CB 3.86Å; L198-L201 HydrophobicContact CD2-CD2 4.39Å; L198-L216 HydrophobicContact CB-CD1 4.39Å; L198-L216 HydrophobicContact CB-CD2 4.3Å; L198-L216 HydrophobicContact CD2-CD2 3.59Å; L198-R219 PolarHBondContact O-NH1 3.1Å; L198-R219 PolarHBondContact O-NH2 3.49Å; L198-L234 HydrophobicContact CB-CD1 4.48Å; L198-L234 HydrophobicContact CD2-CD1 4.36Å; L198-L234 HydrophobicContact CG-CD1 4.22Å | ||
| 199 | A | 91.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 52 Ų | 52 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -119.2 | -24.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N175 K197 V235 | N175-A199 PolarHBondContact O-N 3.13Å; K197-A199 PolarHBondContact O-N 3.11Å; A199-V235 PolarHBondContact O-N 3.5Å | ||
| 200 | R | 92.7 | Very high | 94.1 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 128.5 | 172.7 | 179.8 | 174 | -64.6 | -159.9 | -2.7 | 111.6 | N175 T176 L177 L198 V235 | N175-R200 PolarHBondContact O-N 3.25Å; N175-R200 VanDerWaalsContact O-N 3.07Å; T176-R200 HydrophobicContact CG2-CB 4.27Å; T176-R200 HydrophobicContact CG2-CG 4.44Å; L177-R200 PolarHBondContact N-O 3.26Å; L198-R200 WeakPolarHBondContact CD1-O 3.22Å; R200-V235 CarbonylContact C-O 3.47Å; R200-V235 WeakPolarHBondContact CA-O 3.43Å |
| 201 | L | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 114.4 | 168.7 | 177.2 | 55.9 | 0 | 0 | 0 | 108.8 | L177 F192 L198 M203 F217 V235 L236 S237 | L177-L201 HydrophobicContact CB-CD1 4.11Å; L177-L201 HydrophobicContact CD2-CD1 4.02Å; L177-L201 HydrophobicContact CG-CD1 4.13Å; L177-L201 WeakPolarHBondContact O-CA 3.46Å; F192-L201 HydrophobicContact CD2-CD2 4.2Å; F192-L201 HydrophobicContact CE1-CD2 4.27Å; F192-L201 HydrophobicContact CE2-CD2 3.73Å; F192-L201 HydrophobicContact CZ-CD1 4.45Å; F192-L201 HydrophobicContact CZ-CD2 3.77Å; L198-L201 HydrophobicContact CD2-CB 3.86Å; L198-L201 HydrophobicContact CD2-CD2 4.39Å; L201-M203 HydrophobicContact CD1-CG 3.97Å; L201-M203 HydrophobicContact CD1-SD 4.28Å; L201-M203 HydrophobicContact CD2-CE 3.86Å; L201-M203 HydrophobicContact CD2-SD 4.2Å; L201-M203 HydrophobicContact CG-CE 4.16Å; L201-M203 HydrophobicContact CG-CG 4.12Å; L201-M203 HydrophobicContact CG-SD 4.29Å; L201-F217 HydrophobicContact CD2-CE1 4.12Å; L201-F217 HydrophobicContact CD2-CZ 4.34Å; L201-V235 PolarHBondContact N-O 3.49Å; L201-L236 HydrophobicContact CB-CD1 4.32Å; L201-L236 HydrophobicContact CD2-CD1 4.04Å; L201-L236 HydrophobicContact CG-CD1 4.1Å; L201-L236 WeakPolarHBondContact O-CA 3.2Å; L201-S237 PolarHBondContact O-N 2.82Å |
| 202 | D | 95.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.9 | 175.5 | -153.5 | -36.3 | 0 | 0 | 0 | 110.8 | L177 M179 D180 T204 S237 | L177-D202 PolarHBondContact O-N 3.3Å; M179-D202 PolarHBondContact N-O 3.02Å; D180-D202 PolarHBondContact N-O 3.05Å; D202-T204 WeakPolarHBondContact OD1-CB 3.26Å; D202-T204 PolarHBondContact OD1-N 2.88Å; D202-T204 PolarHBondContact OD1-OG1 3.48Å; D202-S237 WeakPolarHBondContact OD1-CB 3.26Å |
| 203 | M | 96.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | trans | -124.7 | 19.4 | 177.5 | -60.9 | -176 | -67.2 | 0 | 0 | 111.4 | V187 F192 L201 N206 L208 I211 L236 S237 N241 | V187-M203 HydrophobicContact CG2-SD 4Å; F192-M203 HydrophobicContact CZ-SD 4.37Å; L201-M203 HydrophobicContact CD1-CG 3.97Å; L201-M203 HydrophobicContact CD1-SD 4.28Å; L201-M203 HydrophobicContact CD2-CE 3.86Å; L201-M203 HydrophobicContact CD2-SD 4.2Å; L201-M203 HydrophobicContact CG-CE 4.16Å; L201-M203 HydrophobicContact CG-CG 4.12Å; L201-M203 HydrophobicContact CG-SD 4.29Å; M203-N206 PolarHBondContact O-ND2 2.87Å; M203-N206 VanDerWaalsContact O-ND2 3.1Å; M203-L208 HydrophobicContact CB-CD1 3.89Å; M203-L208 HydrophobicContact CE-CD1 4.42Å; M203-L208 HydrophobicContact SD-CD1 4.04Å; M203-I211 HydrophobicContact CE-CD1 3.97Å; M203-I211 HydrophobicContact CE-CG1 4.41Å; M203-I211 HydrophobicContact CE-CG2 4.39Å; M203-L236 HydrophobicContact CE-CD1 3.73Å; M203-S237 PolarHBondContact N-O 2.83Å; M203-N241 PolarHBondContact O-ND2 3.21Å | ||
| 204 | T | 96.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | trans | -58.3 | 148.2 | -178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | D180 H181 D202 N206 S237 G239 | D180-T204 CarbonylContact C-O 3.48Å; D180-T204 WeakPolarHBondContact CA-O 3.42Å; D180-T204 WeakPolarHBondContact CB-O 3.41Å; H181-T204 PolarHBondContact N-O 3.36Å; D202-T204 WeakPolarHBondContact OD1-CB 3.26Å; D202-T204 PolarHBondContact OD1-N 2.88Å; D202-T204 PolarHBondContact OD1-OG1 3.48Å; T204-N206 PolarHBondContact O-N 3.44Å; T204-N206 PolarHBondContact O-ND2 3.46Å; T204-S237 WeakPolarHBondContact OG1-CB 3.24Å; T204-G239 CarbonylContact C-O 3.51Å; T204-G239 VanDerWaalsContact CA-O 3.25Å; T204-G239 WeakPolarHBondContact CA-O 3.01Å; T204-G239 WeakPolarHBondContact CG2-O 3.5Å | ||
| 205 | S | 97.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 55 | 52.7 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 114 | H181 N182 G239 | H181-S205 VanDerWaalsContact CA-O 3.29Å; H181-S205 WeakPolarHBondContact CA-O 3.41Å; H181-S205 WeakPolarHBondContact CD2-CB 3.44Å; H181-S205 PolarHBondContact CD2-OG 3.1Å; H181-S205 PolarHBondContact N-O 3.26Å; H181-S205 WeakPolarHBondContact NE2-CB 3.34Å; H181-S205 PolarHBondContact NE2-OG 3.44Å; N182-S205 PolarHBondContact N-O 2.89Å; S205-G239 PolarHBondContact N-O 2.98Å |
| 206 | N | 98.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -116.1 | -163.2 | 174.3 | -89.3 | -79.1 | 0 | 0 | 0 | 111.3 | M179 N182 I184 M203 T204 L208 N241 P242 | M179-N206 PolarHBondContact O-ND2 3.27Å; N182-N206 WeakPolarHBondContact CA-OD1 3.29Å; N182-N206 WeakPolarHBondContact CB-OD1 3.44Å; N182-N206 PolarHBondContact O-OD1 3.18Å; I184-N206 HydrophobicContact CB-CB 4.41Å; I184-N206 VanDerWaalsContact CB-OD1 3.3Å; I184-N206 WeakPolarHBondContact CB-OD1 3.4Å; I184-N206 VanDerWaalsContact CG1-OD1 3.31Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.44Å; I184-N206 PolarHBondContact N-OD1 2.89Å; M203-N206 PolarHBondContact O-ND2 2.87Å; M203-N206 VanDerWaalsContact O-ND2 3.1Å; T204-N206 PolarHBondContact O-N 3.44Å; T204-N206 PolarHBondContact O-ND2 3.46Å; N206-L208 HydrophobicContact CB-CG 4.1Å; N206-N241 WeakPolarHBondContact CA-OD1 3.34Å; N206-N241 WeakPolarHBondContact CB-OD1 3.16Å; N206-N241 PolarHBondContact N-OD1 3.13Å; N206-N241 PolarHBondContact O-OD1 3.26Å; N206-P242 WeakPolarHBondContact O-CD 3.07Å |
| 207 | K | 97.9 | Very high | 93.6 | Very high | 106 Ų | 106 | 41.5 Ų | 41.5 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | trans | -109.6 | 20.8 | 174.6 | -60.6 | -59.5 | 177.9 | -165.8 | 0 | 112.8 | L183 I184 E185 K209 N241 P242 | L183-K207 HydrophobicContact CD2-CG 4.45Å; I184-K207 CarbonylContact O-C 3.53Å; I184-K207 VanDerWaalsContact O-CA 3.24Å; I184-K207 WeakPolarHBondContact O-CA 3.27Å; I184-K207 WeakPolarHBondContact O-CB 3.49Å; I184-K207 PolarHBondContact O-N 3.06Å; E185-K207 HydrophobicContact CG-CB 4.05Å; K207-K209 PolarHBondContact O-N 3.42Å; K207-N241 PolarHBondContact N-OD1 2.9Å; K207-P242 HydrophobicContact CD-CG 4.48Å | ||
| 208 | L | 97.1 | Very high | 93 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -63.9 | 117.7 | -176.8 | -58.5 | 177.6 | 0 | 0 | 0 | 110.9 | I184 E185 V187 M203 N206 I211 N241 P242 | I184-L208 HydrophobicContact CB-CD2 4.41Å; I184-L208 HydrophobicContact CG2-CD2 3.87Å; I184-L208 WeakPolarHBondContact O-CD2 3.31Å; I184-L208 PolarHBondContact O-N 3.25Å; I184-L208 VanDerWaalsContact O-N 3.13Å; E185-L208 WeakPolarHBondContact O-CA 3.42Å; V187-L208 HydrophobicContact CG2-CD1 4.38Å; V187-L208 HydrophobicContact CG2-CD2 3.84Å; M203-L208 HydrophobicContact CB-CD1 3.89Å; M203-L208 HydrophobicContact CE-CD1 4.42Å; M203-L208 HydrophobicContact SD-CD1 4.04Å; N206-L208 HydrophobicContact CB-CG 4.1Å; L208-I211 HydrophobicContact CD1-CG1 4.43Å; L208-N241 HydrophobicContact CB-CB 4.23Å; L208-N241 VanDerWaalsContact CB-OD1 3.28Å; L208-N241 WeakPolarHBondContact CB-OD1 3.44Å; L208-N241 WeakPolarHBondContact CG-OD1 3.11Å; L208-N241 PolarHBondContact N-OD1 3.48Å; L208-P242 CarbonylContact O-C 3.57Å | ||
| 209 | K | 95.8 | Very high | 92.3 | Very high | 118 Ų | 118 | 47 Ų | 47 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -77.5 | -38.2 | 168.1 | -65.1 | 179.9 | -176 | 174.6 | 0 | 111.1 | K207 H244 | K207-K209 PolarHBondContact O-N 3.42Å; K209-H244 HydrophobicContact CB-CB 4.08Å; K209-H244 PolarHBondContact O-N 3.1Å |
| 210 | K | 94.6 | Very high | 91.6 | Very high | 70 Ų | 70 | 45.4 Ų | 45.4 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | trans | -144.9 | 161.2 | -179.6 | 66 | -173.5 | 175.2 | -174.5 | 0 | 112.1 | E248 L249 | K210-E248 HydrophobicContact CD-CB 4.38Å; K210-E248 WeakPolarHBondContact CD-OE2 3.48Å; K210-E248 WeakPolarHBondContact CE-OE2 3.47Å; K210-E248 IonicContact NZ-OE1 3.49Å; K210-E248 PolarHBondContact NZ-OE1 2.91Å; K210-E248 IonicContact NZ-OE2 3.72Å; K210-E248 PolarHBondContact NZ-OE2 3.41Å; K210-L249 HydrophobicContact CB-CD2 4.15Å; K210-L249 HydrophobicContact CB-CG 4.47Å | ||
| 211 | I | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -118.6 | 123.2 | 169.8 | -57.7 | 174.6 | 0 | 0 | 0 | 106.3 | M203 L208 F217 F238 W251 L252 | M203-I211 HydrophobicContact CE-CD1 3.97Å; M203-I211 HydrophobicContact CE-CG1 4.41Å; M203-I211 HydrophobicContact CE-CG2 4.39Å; L208-I211 HydrophobicContact CD1-CG1 4.43Å; I211-F217 HydrophobicContact CG2-CE2 3.96Å; I211-F217 HydrophobicContact CG2-CZ 4.08Å; I211-F238 HydrophobicContact CD1-CB 3.64Å; I211-F238 HydrophobicContact CD1-CD1 4.39Å; I211-F238 HydrophobicContact CD1-CD2 4.04Å; I211-F238 HydrophobicContact CD1-CG 3.77Å; I211-W251 HydrophobicContact CB-CZ2 4.27Å; I211-W251 HydrophobicContact CG2-CH2 4.43Å; I211-W251 HydrophobicContact CG2-CZ2 4.04Å; I211-W251 WeakPolarHBondContact O-CZ2 3.48Å; I211-W251 PolarHBondContact O-NE1 3.09Å; I211-W251 VanDerWaalsContact O-NE1 3.15Å; I211-L252 HydrophobicContact CD1-CD2 4.21Å | ||
| 212 | P | 92.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | trans | -68.8 | 149.1 | 179 | 30.6 | -36.2 | 0 | 0 | 0 | 110.6 | V187 Q189 D214 W251 | V187-P212 HydrophobicContact CB-CG 4.26Å; V187-P212 HydrophobicContact CG1-CG 4.07Å; V187-P212 WeakPolarHBondContact O-CG 3.34Å; Q189-P212 HydrophobicContact CB-CB 4.16Å; Q189-P212 HydrophobicContact CG-CB 4.33Å; P212-D214 PolarHBondContact O-N 2.82Å; P212-W251 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 213 | P | 91.5 | Very high | 86.9 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | trans | -64.6 | 133.9 | 171.1 | 27.8 | -33.7 | 0 | 0 | 0 | 110.3 | W251 | P213-W251 HydrophobicContact CB-CD2 3.98Å; P213-W251 HydrophobicContact CB-CG 4.02Å | ||
| 214 | D | 91.1 | Very high | 84.4 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | trans | -138.3 | 138.6 | 177.9 | -170.1 | -67.8 | 0 | 0 | 0 | 109.1 | G190 F192 T193 P212 L216 F217 | G190-D214 WeakPolarHBondContact CA-OD2 3.38Å; F192-D214 WeakPolarHBondContact CA-OD2 3.44Å; F192-D214 PolarHBondContact N-OD2 2.94Å; F192-D214 VanDerWaalsContact N-OD2 3.14Å; T193-D214 PolarHBondContact N-OD2 3.46Å; T193-D214 VanDerWaalsContact N-OD2 3.13Å; P212-D214 PolarHBondContact O-N 2.82Å; D214-L216 PolarHBondContact O-N 3Å; D214-L216 WeakPolarHBondContact OD1-CB 3.25Å; D214-L216 PolarHBondContact OD1-N 2.85Å; D214-F217 HydrophobicContact CB-CD2 3.74Å; D214-F217 HydrophobicContact CB-CE2 3.66Å; D214-F217 PolarHBondContact O-N 3.05Å | ||
| 215 | P | 86.8 | Confident | 82 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -52.9 | -26.3 | 177 | -27.6 | 35.6 | 0 | 0 | 0 | 114.4 | F217 L218 | P215-F217 PolarHBondContact O-N 2.85Å; P215-L218 WeakPolarHBondContact O-CB 3.48Å; P215-L218 PolarHBondContact O-N 3.46Å |
| 216 | L | 87.1 | Confident | 79.4 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -55.7 | -38.1 | 175.4 | -179 | 68.9 | 0 | 0 | 0 | 112.4 | F192 L198 D214 L218 R219 L234 | F192-L216 HydrophobicContact CB-CB 4.37Å; F192-L216 HydrophobicContact CB-CD2 3.67Å; F192-L216 HydrophobicContact CG-CD2 4.37Å; L198-L216 HydrophobicContact CB-CD1 4.39Å; L198-L216 HydrophobicContact CB-CD2 4.3Å; L198-L216 HydrophobicContact CD2-CD2 3.59Å; D214-L216 PolarHBondContact O-N 3Å; D214-L216 WeakPolarHBondContact OD1-CB 3.25Å; D214-L216 PolarHBondContact OD1-N 2.85Å; L216-L218 PolarHBondContact O-N 2.86Å; L216-R219 VanDerWaalsContact CD1-NH1 3.29Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 2.99Å; L216-R219 VanDerWaalsContact O-N 3.11Å; L216-L234 HydrophobicContact CD1-CD2 4.46Å; L216-L234 HydrophobicContact CD2-CD2 4.18Å; L216-L234 HydrophobicContact CG-CD2 3.83Å |
| 217 | F | 86.7 | Confident | 77 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -72.1 | -13 | -175.3 | -58.2 | -49.7 | 0 | 0 | 0 | 113.9 | F192 L201 I211 D214 P215 R219 I220 L234 L236 W251 | F192-F217 HydrophobicContact CD2-CE2 4.44Å; F192-F217 AromaticContact CD2-CZ 3.86Å; F192-F217 HydrophobicContact CD2-CZ 3.86Å; F192-F217 HydrophobicContact CE2-CZ 4.08Å; L201-F217 HydrophobicContact CD2-CE1 4.12Å; L201-F217 HydrophobicContact CD2-CZ 4.34Å; I211-F217 HydrophobicContact CG2-CE2 3.96Å; I211-F217 HydrophobicContact CG2-CZ 4.08Å; D214-F217 HydrophobicContact CB-CD2 3.74Å; D214-F217 HydrophobicContact CB-CE2 3.66Å; D214-F217 PolarHBondContact O-N 3.05Å; P215-F217 PolarHBondContact O-N 2.85Å; F217-R219 PolarHBondContact O-N 2.86Å; F217-R219 VanDerWaalsContact O-N 3.16Å; F217-I220 HydrophobicContact CB-CD1 3.97Å; F217-I220 HydrophobicContact CD1-CD1 3.96Å; F217-I220 HydrophobicContact CG-CD1 4.35Å; F217-I220 WeakPolarHBondContact O-CB 3.41Å; F217-I220 WeakPolarHBondContact O-CG1 3.16Å; F217-I220 PolarHBondContact O-N 2.83Å; F217-I220 VanDerWaalsContact O-N 3.11Å; F217-L234 HydrophobicContact CD1-CD2 3.86Å; F217-L234 HydrophobicContact CE1-CD2 4.39Å; F217-L236 HydrophobicContact CD1-CD2 4.04Å; F217-L236 HydrophobicContact CE1-CD1 4.11Å; F217-L236 HydrophobicContact CE1-CD2 3.97Å; F217-W251 HydrophobicContact CB-CH2 4.13Å; F217-W251 HydrophobicContact CB-CZ3 3.77Å; F217-W251 AromaticContact CD2-CH2 3.27Å; F217-W251 HydrophobicContact CD2-CH2 3.27Å; F217-W251 HydrophobicContact CD2-CZ2 4.13Å; F217-W251 AromaticContact CD2-CZ3 3.76Å; F217-W251 HydrophobicContact CD2-CZ3 3.76Å; F217-W251 AromaticContact CE2-CH2 3.81Å; F217-W251 HydrophobicContact CE2-CH2 3.81Å; F217-W251 HydrophobicContact CE2-CZ2 4.36Å; F217-W251 AromaticContact CG-CH2 3.83Å; F217-W251 HydrophobicContact CG-CH2 3.83Å; F217-W251 HydrophobicContact CG-CZ3 4.02Å |
| 218 | L | 79.8 | Confident | 74.8 | Confident | 151 Ų | 151 | 74.4 Ų | 74.4 | 79% | 0.791 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -64.7 | -13.4 | 169.2 | -59.5 | 174.4 | 0 | 0 | 0 | 112.9 | P215 L216 | P215-L218 WeakPolarHBondContact O-CB 3.48Å; P215-L218 PolarHBondContact O-N 3.46Å; L216-L218 PolarHBondContact O-N 2.86Å |
| 219 | R | 80.3 | Confident | 72.4 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 27% | 0.272 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -88.6 | -1 | 175.2 | -60.7 | 170.1 | 61.4 | -140.3 | -2.9 | 113.6 | H196 L198 L216 F217 L234 | H196-R219 PolarHBondContact O-NH1 2.53Å; H196-R219 VanDerWaalsContact O-NH1 3.15Å; L198-R219 PolarHBondContact O-NH1 3.1Å; L198-R219 PolarHBondContact O-NH2 3.49Å; L216-R219 VanDerWaalsContact CD1-NH1 3.29Å; L216-R219 WeakPolarHBondContact O-CB 3.38Å; L216-R219 PolarHBondContact O-N 2.99Å; L216-R219 VanDerWaalsContact O-N 3.11Å; F217-R219 PolarHBondContact O-N 2.86Å; F217-R219 VanDerWaalsContact O-N 3.16Å; R219-L234 HydrophobicContact CB-CB 4.18Å; R219-L234 PolarHBondContact O-N 3.01Å; R219-L234 VanDerWaalsContact O-N 3.13Å |
| 220 | I | 76.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 5% | 0.051 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -68.4 | 130.4 | 173.3 | -65.4 | 174.7 | 0 | 0 | 0 | 108 | F217 V222 L234 L236 L255 R257 | F217-I220 HydrophobicContact CB-CD1 3.97Å; F217-I220 HydrophobicContact CD1-CD1 3.96Å; F217-I220 HydrophobicContact CG-CD1 4.35Å; F217-I220 WeakPolarHBondContact O-CB 3.41Å; F217-I220 WeakPolarHBondContact O-CG1 3.16Å; F217-I220 PolarHBondContact O-N 2.83Å; F217-I220 VanDerWaalsContact O-N 3.11Å; I220-V222 PolarHBondContact O-N 3.45Å; I220-V222 VanDerWaalsContact O-N 3.13Å; I220-L234 HydrophobicContact CD1-CD2 4.46Å; I220-L234 HydrophobicContact CG1-CB 4.23Å; I220-L234 HydrophobicContact CG1-CD2 3.92Å; I220-L234 HydrophobicContact CG1-CG 4.32Å; I220-L236 HydrophobicContact CD1-CB 3.9Å; I220-L236 HydrophobicContact CD1-CD2 3.79Å; I220-L255 HydrophobicContact CB-CD1 4.48Å; I220-L255 HydrophobicContact CD1-CD1 3.73Å; I220-L255 HydrophobicContact CG2-CD1 4.43Å; I220-R257 HydrophobicContact CG2-CG 4.49Å |
| 221 | P | 66.1 | Low | 68.4 | Low | 46 Ų | 46 | 83.9 Ų | 83.9 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | trans | -68.8 | 113.6 | -176.9 | 28.8 | -35 | 0 | 0 | 0 | 110.5 | ||||
| 222 | V | 63.2 | Low | 66.6 | Low | 96 Ų | 96 | 87.6 Ų | 87.6 | 58% | 0.582 | 50% | 0.497 | S | S | * | . | trans | -69.2 | 126.8 | 164.3 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | I220 A224 T256 | I220-V222 PolarHBondContact O-N 3.45Å; I220-V222 VanDerWaalsContact O-N 3.13Å; V222-A224 PolarHBondContact O-N 2.85Å; V222-T256 WeakPolarHBondContact CA-OG1 3.19Å; V222-T256 WeakPolarHBondContact CG1-OG1 3.38Å | ||
| 223 | Y | 56 | Low | 65.8 | Low | 137 Ų | 137 | 89 Ų | 89 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | trans | -70.5 | 73.1 | -178 | -87.5 | -86.8 | 0 | 0 | 0 | 112.4 | T256 E258 | Y223-T256 PolarHBondContact N-OG1 2.9Å; Y223-E258 HydrophobicContact CE2-CG 4.02Å; Y223-E258 PolarHBondContact OH-OE1 2.93Å; Y223-E258 PolarHBondContact OH-OE2 3.39Å | ||
| 224 | A | 43.8 | Very low | 65.5 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | trans | -70.1 | 128.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V222 S226 | V222-A224 PolarHBondContact O-N 2.85Å; A224-S226 PolarHBondContact O-N 3.34Å | ||
| 225 | K | 44.3 | Very low | 65.3 | Low | 224 Ų | 224 | 88.2 Ų | 88.2 | 97% | 0.974 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -66.4 | 13.9 | 177.7 | -69.7 | -178.4 | 175.8 | 175.3 | 0 | 114.7 | ||
| 226 | S | 44.6 | Very low | 65.5 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -98.2 | 127.2 | -178.1 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | A224 G228 | A224-S226 PolarHBondContact O-N 3.34Å; S226-G228 PolarHBondContact O-N 2.86Å; S226-G228 VanDerWaalsContact O-N 3.1Å |
| 227 | K | 47.9 | Very low | 65.7 | Low | 223 Ų | 223 | 84.9 Ų | 84.9 | 97% | 0.97 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -55.9 | 112.3 | 174.1 | -68 | 178.1 | 175.5 | -179.8 | 0 | 111.1 | ||
| 228 | G | 51.7 | Low | 66.1 | Low | 67 Ų | 67 | 84.8 Ų | 84.8 | 69% | 0.691 | 48% | 0.48 | S | S | * | . | trans | 147.6 | 75.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S226 | S226-G228 PolarHBondContact O-N 2.86Å; S226-G228 VanDerWaalsContact O-N 3.1Å | ||
| 229 | S | 46.8 | Very low | 66.7 | Low | 114 Ų | 114 | 78 Ų | 78 | 80% | 0.797 | 45% | 0.447 | S | S | * | . | trans | -62.2 | 135.2 | 175.4 | 2.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 230 | P | 54.5 | Low | 67.4 | Low | 85 Ų | 85 | 77.2 Ų | 77.2 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | trans | -68.6 | 145.1 | 177.6 | 28.1 | -34 | 0 | 0 | 0 | 111.6 | S232 | P230-S232 PolarHBondContact O-N 2.95Å; P230-S232 VanDerWaalsContact O-N 3.1Å | ||
| 231 | L | 51.2 | Low | 68.4 | Low | 189 Ų | 189 | 77.2 Ų | 77.2 | 99% | 0.99 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -0.1 | -171.4 | -83.5 | 133 | 0 | 0 | 0 | 116.1 | ||
| 232 | S | 55.7 | Low | 69.9 | Low | 78 Ų | 78 | 77.2 Ų | 77.2 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -157.3 | 81 | 168.2 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | P230 | P230-S232 PolarHBondContact O-N 2.95Å; P230-S232 VanDerWaalsContact O-N 3.1Å |
| 233 | S | 75.9 | Confident | 71.5 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 34% | 0.343 | 44% | 0.435 | S | S | . | . | trans | -75.7 | 128.3 | 171.7 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 234 | L | 86.2 | Confident | 73.5 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | trans | -71.5 | 127 | 167.5 | 178.6 | 70.3 | 0 | 0 | 0 | 109.9 | L198 L216 F217 R219 I220 | L198-L234 HydrophobicContact CB-CD1 4.48Å; L198-L234 HydrophobicContact CD2-CD1 4.36Å; L198-L234 HydrophobicContact CG-CD1 4.22Å; L216-L234 HydrophobicContact CD1-CD2 4.46Å; L216-L234 HydrophobicContact CD2-CD2 4.18Å; L216-L234 HydrophobicContact CG-CD2 3.83Å; F217-L234 HydrophobicContact CD1-CD2 3.86Å; F217-L234 HydrophobicContact CE1-CD2 4.39Å; R219-L234 HydrophobicContact CB-CB 4.18Å; R219-L234 PolarHBondContact O-N 3.01Å; R219-L234 VanDerWaalsContact O-N 3.13Å; I220-L234 HydrophobicContact CD1-CD2 4.46Å; I220-L234 HydrophobicContact CG1-CB 4.23Å; I220-L234 HydrophobicContact CG1-CD2 3.92Å; I220-L234 HydrophobicContact CG1-CG 4.32Å | ||
| 235 | V | 87.2 | Confident | 76 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.3 | 167.3 | -177 | 0 | 0 | 0 | 0 | 108.4 | A199 R200 L201 | A199-V235 PolarHBondContact O-N 3.5Å; R200-V235 CarbonylContact C-O 3.47Å; R200-V235 WeakPolarHBondContact CA-O 3.43Å; L201-V235 PolarHBondContact N-O 3.49Å |
| 236 | L | 90.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.8 | 169.5 | 172.3 | 64.6 | 0 | 0 | 0 | 108.7 | L201 M203 F217 I220 F238 L252 R257 | L201-L236 HydrophobicContact CB-CD1 4.32Å; L201-L236 HydrophobicContact CD2-CD1 4.04Å; L201-L236 HydrophobicContact CG-CD1 4.1Å; L201-L236 WeakPolarHBondContact O-CA 3.2Å; M203-L236 HydrophobicContact CE-CD1 3.73Å; F217-L236 HydrophobicContact CD1-CD2 4.04Å; F217-L236 HydrophobicContact CE1-CD1 4.11Å; F217-L236 HydrophobicContact CE1-CD2 3.97Å; I220-L236 HydrophobicContact CD1-CB 3.9Å; I220-L236 HydrophobicContact CD1-CD2 3.79Å; L236-F238 HydrophobicContact CD2-CD1 4.16Å; L236-F238 HydrophobicContact CG-CD1 4.09Å; L236-L252 HydrophobicContact CD2-CD1 4.33Å; L236-R257 PolarHBondContact O-NH1 2.8Å; L236-R257 PolarHBondContact O-NH2 2.83Å |
| 237 | S | 92 | Very high | 80.9 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.6 | 171.1 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | L201 D202 M203 T204 | L201-S237 PolarHBondContact O-N 2.82Å; D202-S237 WeakPolarHBondContact OD1-CB 3.26Å; M203-S237 PolarHBondContact N-O 2.83Å; T204-S237 WeakPolarHBondContact OG1-CB 3.24Å |
| 238 | F | 94.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | trans | -145.5 | 15.4 | -177.4 | 66.9 | -83 | 0 | 0 | 0 | 114.6 | I211 L236 N241 L243 L252 E262 F275 W276 | I211-F238 HydrophobicContact CD1-CB 3.64Å; I211-F238 HydrophobicContact CD1-CD1 4.39Å; I211-F238 HydrophobicContact CD1-CD2 4.04Å; I211-F238 HydrophobicContact CD1-CG 3.77Å; L236-F238 HydrophobicContact CD2-CD1 4.16Å; L236-F238 HydrophobicContact CG-CD1 4.09Å; F238-N241 PolarHBondContact O-ND2 3.14Å; F238-L243 HydrophobicContact CD2-CD1 4.02Å; F238-L243 HydrophobicContact CD2-CD2 4.37Å; F238-L243 HydrophobicContact CE2-CD1 3.83Å; F238-L252 HydrophobicContact CD2-CD2 4.29Å; F238-L252 HydrophobicContact CE1-CD1 4.14Å; F238-L252 HydrophobicContact CE1-CD2 4.19Å; F238-L252 HydrophobicContact CE1-CG 4.47Å; F238-L252 HydrophobicContact CE2-CD2 3.72Å; F238-L252 HydrophobicContact CZ-CD1 4.23Å; F238-L252 HydrophobicContact CZ-CD2 3.67Å; F238-L252 HydrophobicContact CZ-CG 4.06Å; F238-E262 HydrophobicContact CD2-CG 4.03Å; F238-E262 HydrophobicContact CE1-CG 4.42Å; F238-E262 WeakPolarHBondContact CE1-OE1 3.32Å; F238-E262 HydrophobicContact CE2-CB 3.99Å; F238-E262 HydrophobicContact CE2-CG 3.72Å; F238-E262 HydrophobicContact CZ-CB 4.45Å; F238-E262 HydrophobicContact CZ-CG 3.93Å; F238-E262 VanDerWaalsContact CZ-OE1 3.27Å; F238-E262 WeakPolarHBondContact CZ-OE1 3.08Å; F238-F275 HydrophobicContact CZ-CD1 4.41Å; F238-F275 HydrophobicContact CZ-CE1 4.37Å; F238-W276 HydrophobicContact CE1-CZ2 4.05Å; F238-W276 HydrophobicContact CZ-CH2 4.33Å; F238-W276 AromaticContact CZ-CZ2 3.69Å; F238-W276 HydrophobicContact CZ-CZ2 3.69Å | ||
| 239 | G | 93.3 | Very high | 85.3 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 166.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T204 S205 N241 | T204-G239 CarbonylContact C-O 3.51Å; T204-G239 VanDerWaalsContact CA-O 3.25Å; T204-G239 WeakPolarHBondContact CA-O 3.01Å; T204-G239 WeakPolarHBondContact CG2-O 3.5Å; S205-G239 PolarHBondContact N-O 2.98Å; G239-N241 PolarHBondContact O-N 2.87Å; G239-N241 VanDerWaalsContact O-N 3.15Å; G239-N241 PolarHBondContact O-ND2 3.07Å |
| 240 | G | 94.9 | Very high | 87.5 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 59% | 0.588 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 11.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 241 | N | 97.6 | Very high | 89.2 | Confident | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -93.2 | 147.6 | 174.4 | -81.1 | -76.5 | 0 | 0 | 0 | 111.9 | M203 N206 K207 L208 F238 G239 L243 | M203-N241 PolarHBondContact O-ND2 3.21Å; N206-N241 WeakPolarHBondContact CA-OD1 3.34Å; N206-N241 WeakPolarHBondContact CB-OD1 3.16Å; N206-N241 PolarHBondContact N-OD1 3.13Å; N206-N241 PolarHBondContact O-OD1 3.26Å; K207-N241 PolarHBondContact N-OD1 2.9Å; L208-N241 HydrophobicContact CB-CB 4.23Å; L208-N241 VanDerWaalsContact CB-OD1 3.28Å; L208-N241 WeakPolarHBondContact CB-OD1 3.44Å; L208-N241 WeakPolarHBondContact CG-OD1 3.11Å; L208-N241 PolarHBondContact N-OD1 3.48Å; F238-N241 PolarHBondContact O-ND2 3.14Å; G239-N241 PolarHBondContact O-N 2.87Å; G239-N241 VanDerWaalsContact O-N 3.15Å; G239-N241 PolarHBondContact O-ND2 3.07Å; N241-L243 HydrophobicContact CB-CD2 3.95Å; N241-L243 HydrophobicContact CB-CG 4.23Å; N241-L243 PolarHBondContact O-N 2.83Å |
| 242 | P | 97.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 26 Ų | 26 | 31% | 0.305 | 17% | 0.166 | S | C | . | . | trans | -79.4 | 65.1 | 176.6 | 35.6 | -37.1 | 0 | 0 | 0 | 111.3 | N206 K207 L208 A265 | N206-P242 WeakPolarHBondContact O-CD 3.07Å; K207-P242 HydrophobicContact CD-CG 4.48Å; L208-P242 CarbonylContact O-C 3.57Å; P242-A265 HydrophobicContact CB-CB 3.92Å | ||
| 243 | L | 97.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 139 | -172.4 | -60.8 | 175.2 | 0 | 0 | 0 | 112.3 | F238 N241 L249 E262 A265 S266 F275 | F238-L243 HydrophobicContact CD2-CD1 4.02Å; F238-L243 HydrophobicContact CD2-CD2 4.37Å; F238-L243 HydrophobicContact CE2-CD1 3.83Å; N241-L243 HydrophobicContact CB-CD2 3.95Å; N241-L243 HydrophobicContact CB-CG 4.23Å; N241-L243 PolarHBondContact O-N 2.83Å; L243-L249 HydrophobicContact CB-CD1 4.13Å; L243-L249 HydrophobicContact CD2-CD1 4.27Å; L243-E262 HydrophobicContact CD1-CB 4.34Å; L243-A265 PolarHBondContact O-N 3Å; L243-S266 PolarHBondContact O-N 3.03Å; L243-F275 HydrophobicContact CD1-CD2 4Å; L243-F275 HydrophobicContact CD1-CG 4.46Å |
| 244 | H | 97.3 | Very high | 93.4 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 97.6 | 173.6 | -176.4 | 48 | 0 | 0 | 0 | 108 | K209 N246 L249 S266 D314 | K209-H244 HydrophobicContact CB-CB 4.08Å; K209-H244 PolarHBondContact O-N 3.1Å; H244-N246 VanDerWaalsContact C-N 3.27Å; H244-N246 PolarHBondContact CD2-ND2 3.38Å; H244-N246 PolarHBondContact NE2-ND2 2.84Å; H244-N246 PolarHBondContact O-N 2.97Å; H244-L249 WeakPolarHBondContact O-CD1 3.27Å; H244-S266 CarbonylContact C-O 3.4Å; H244-S266 WeakPolarHBondContact CA-O 3.4Å; H244-S266 WeakPolarHBondContact CA-OG 3.42Å; H244-S266 PolarHBondContact ND1-OG 2.74Å; H244-D314 IonicContact CE1-OD1 2.74Å; H244-D314 IonicContact CE1-OD2 2.78Å; H244-D314 PolarHBondContact CE1-OD2 3.09Å; H244-D314 VanDerWaalsContact CE1-OD2 3.27Å; H244-D314 IonicContact NE2-OD1 3.21Å; H244-D314 PolarHBondContact NE2-OD1 3.15Å; H244-D314 IonicContact NE2-OD2 3.94Å |
| 245 | C | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -88 | 61.6 | -164.7 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | C264 S266 L270 F283 | C245-C264 HydrophobicContact CB-CB 3.79Å; C245-C264 WeakPolarHBondContact CB-SG 3.39Å; C245-C264 WeakPolarHBondContact SG-CB 3.32Å; C245-C264 CovalentContact SG-SG 2.02Å; C245-C264 PolarHBondContact SG-SG 2.65Å; C245-S266 PolarHBondContact N-O 3.37Å; C245-L270 HydrophobicContact CB-CD1 3.88Å; C245-L270 VanDerWaalsContact O-CD1 3.23Å; C245-L270 WeakPolarHBondContact O-CD1 3.37Å; C245-F283 HydrophobicContact CB-CD1 4.12Å; C245-F283 HydrophobicContact CB-CE1 3.67Å; C245-F283 HydrophobicContact CB-CZ 4.44Å | ||
| 246 | N | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -99.4 | -172.5 | 172.7 | 68.6 | 13.4 | 0 | 0 | 0 | 110.7 | H244 E248 L249 F283 I284 D314 | H244-N246 VanDerWaalsContact C-N 3.27Å; H244-N246 PolarHBondContact CD2-ND2 3.38Å; H244-N246 PolarHBondContact NE2-ND2 2.84Å; H244-N246 PolarHBondContact O-N 2.97Å; N246-E248 PolarHBondContact O-N 3.33Å; N246-E248 WeakPolarHBondContact OD1-CB 3.45Å; N246-E248 WeakPolarHBondContact OD1-CG 3.37Å; N246-E248 PolarHBondContact OD1-N 3.04Å; N246-L249 PolarHBondContact O-N 2.9Å; N246-L249 VanDerWaalsContact O-N 3.08Å; N246-F283 WeakPolarHBondContact O-CD1 3.45Å; N246-I284 WeakPolarHBondContact CA-O 3.43Å; N246-I284 WeakPolarHBondContact CB-O 3.46Å; N246-D314 VanDerWaalsContact CB-OD1 3.32Å; N246-D314 WeakPolarHBondContact CB-OD1 3.31Å; N246-D314 PolarHBondContact ND2-OD1 3.09Å |
| 247 | C | 95.3 | Very high | 91.3 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 26% | 0.264 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -57 | -20.2 | 178.6 | 77 | 0 | 0 | 0 | 0 | 115 | L249 L250 F283 I284 C285 | C247-L249 PolarHBondContact O-N 3.29Å; C247-L250 VanDerWaalsContact O-CB 3.25Å; C247-L250 WeakPolarHBondContact O-CB 3.31Å; C247-L250 PolarHBondContact O-N 3.29Å; C247-F283 VanDerWaalsContact CA-O 3.32Å; C247-F283 WeakPolarHBondContact CA-O 3.43Å; C247-F283 WeakPolarHBondContact CB-O 3.36Å; C247-F283 PolarHBondContact N-O 3.43Å; C247-I284 PolarHBondContact N-O 2.91Å; C247-I284 VanDerWaalsContact N-O 3.17Å; C247-C285 VanDerWaalsContact CA-SG 3.52Å; C247-C285 HydrophobicContact CB-CB 3.83Å; C247-C285 WeakPolarHBondContact CB-SG 3.48Å; C247-C285 PolarHBondContact N-SG 3.04Å; C247-C285 WeakPolarHBondContact SG-CB 3.45Å; C247-C285 CovalentContact SG-SG 2.03Å; C247-C285 PolarHBondContact SG-SG 3.12Å |
| 248 | E | 95.1 | Very high | 90.1 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -67.3 | -22.6 | 177.1 | -57 | -165.6 | 94.3 | 0 | 0 | 112.8 | K210 N246 W251 P315 A364 | K210-E248 HydrophobicContact CD-CB 4.38Å; K210-E248 WeakPolarHBondContact CD-OE2 3.48Å; K210-E248 WeakPolarHBondContact CE-OE2 3.47Å; K210-E248 IonicContact NZ-OE1 3.49Å; K210-E248 PolarHBondContact NZ-OE1 2.91Å; K210-E248 IonicContact NZ-OE2 3.72Å; K210-E248 PolarHBondContact NZ-OE2 3.41Å; N246-E248 PolarHBondContact O-N 3.33Å; N246-E248 WeakPolarHBondContact OD1-CB 3.45Å; N246-E248 WeakPolarHBondContact OD1-CG 3.37Å; N246-E248 PolarHBondContact OD1-N 3.04Å; E248-W251 PolarHBondContact O-NE1 3.11Å; E248-P315 HydrophobicContact CG-CG 3.71Å; E248-P315 WeakPolarHBondContact OE2-CG 3.39Å; E248-A364 HydrophobicContact CG-CB 4.01Å |
| 249 | L | 95.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -97.7 | -0.1 | 174.9 | -69.7 | -175.6 | 0 | 0 | 0 | 113.9 | K210 L243 H244 N246 C247 W251 L252 R253 F275 F283 | K210-L249 HydrophobicContact CB-CD2 4.15Å; K210-L249 HydrophobicContact CB-CG 4.47Å; L243-L249 HydrophobicContact CB-CD1 4.13Å; L243-L249 HydrophobicContact CD2-CD1 4.27Å; H244-L249 WeakPolarHBondContact O-CD1 3.27Å; N246-L249 PolarHBondContact O-N 2.9Å; N246-L249 VanDerWaalsContact O-N 3.08Å; C247-L249 PolarHBondContact O-N 3.29Å; L249-W251 PolarHBondContact O-N 2.85Å; L249-L252 HydrophobicContact CD2-CD2 4.11Å; L249-L252 WeakPolarHBondContact O-CB 3.32Å; L249-L252 PolarHBondContact O-N 2.85Å; L249-R253 PolarHBondContact O-N 3.07Å; L249-F275 HydrophobicContact CB-CE2 4.02Å; L249-F275 HydrophobicContact CB-CZ 4.34Å; L249-F275 HydrophobicContact CD1-CE2 4.01Å; L249-F283 HydrophobicContact CB-CD1 4.36Å; L249-F283 HydrophobicContact CB-CE1 4.32Å |
| 250 | L | 93.8 | Very high | 87.7 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -33.5 | 180 | 179.8 | 58.5 | 0 | 0 | 0 | 112.8 | C247 L252 R253 R254 E280 F283 | C247-L250 VanDerWaalsContact O-CB 3.25Å; C247-L250 WeakPolarHBondContact O-CB 3.31Å; C247-L250 PolarHBondContact O-N 3.29Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 3.24Å; L250-R253 PolarHBondContact O-N 2.86Å; L250-R254 WeakPolarHBondContact O-CG 3.07Å; L250-R254 PolarHBondContact O-N 2.81Å; L250-R254 VanDerWaalsContact O-N 3.16Å; L250-E280 HydrophobicContact CD1-CB 3.87Å; L250-E280 HydrophobicContact CD1-CG 3.95Å; L250-F283 HydrophobicContact CB-CB 4.34Å; L250-F283 HydrophobicContact CD1-CB 4.28Å |
| 251 | W | 91.1 | Very high | 87.3 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 21% | 0.212 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 175.6 | 76.3 | -93.1 | 0 | 0 | 0 | 112.1 | I211 P212 P213 F217 E248 L249 L255 | I211-W251 HydrophobicContact CB-CZ2 4.27Å; I211-W251 HydrophobicContact CG2-CH2 4.43Å; I211-W251 HydrophobicContact CG2-CZ2 4.04Å; I211-W251 WeakPolarHBondContact O-CZ2 3.48Å; I211-W251 PolarHBondContact O-NE1 3.09Å; I211-W251 VanDerWaalsContact O-NE1 3.15Å; P212-W251 WeakPolarHBondContact O-CZ2 3.48Å; P213-W251 HydrophobicContact CB-CD2 3.98Å; P213-W251 HydrophobicContact CB-CG 4.02Å; F217-W251 HydrophobicContact CB-CH2 4.13Å; F217-W251 HydrophobicContact CB-CZ3 3.77Å; F217-W251 AromaticContact CD2-CH2 3.27Å; F217-W251 HydrophobicContact CD2-CH2 3.27Å; F217-W251 HydrophobicContact CD2-CZ2 4.13Å; F217-W251 AromaticContact CD2-CZ3 3.76Å; F217-W251 HydrophobicContact CD2-CZ3 3.76Å; F217-W251 AromaticContact CE2-CH2 3.81Å; F217-W251 HydrophobicContact CE2-CH2 3.81Å; F217-W251 HydrophobicContact CE2-CZ2 4.36Å; F217-W251 AromaticContact CG-CH2 3.83Å; F217-W251 HydrophobicContact CG-CH2 3.83Å; F217-W251 HydrophobicContact CG-CZ3 4.02Å; E248-W251 PolarHBondContact O-NE1 3.11Å; L249-W251 PolarHBondContact O-N 2.85Å; W251-L255 HydrophobicContact CZ3-CD1 4.27Å |
| 252 | L | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.1 | -39.7 | 179.1 | -179.4 | 60.9 | 0 | 0 | 0 | 110.1 | I211 L236 F238 L249 L250 R254 L255 F275 W276 | I211-L252 HydrophobicContact CD1-CD2 4.21Å; L236-L252 HydrophobicContact CD2-CD1 4.33Å; F238-L252 HydrophobicContact CD2-CD2 4.29Å; F238-L252 HydrophobicContact CE1-CD1 4.14Å; F238-L252 HydrophobicContact CE1-CD2 4.19Å; F238-L252 HydrophobicContact CE1-CG 4.47Å; F238-L252 HydrophobicContact CE2-CD2 3.72Å; F238-L252 HydrophobicContact CZ-CD1 4.23Å; F238-L252 HydrophobicContact CZ-CD2 3.67Å; F238-L252 HydrophobicContact CZ-CG 4.06Å; L249-L252 HydrophobicContact CD2-CD2 4.11Å; L249-L252 WeakPolarHBondContact O-CB 3.32Å; L249-L252 PolarHBondContact O-N 2.85Å; L250-L252 VanDerWaalsContact C-N 3.32Å; L250-L252 PolarHBondContact O-N 3.24Å; L252-R254 PolarHBondContact O-N 3.12Å; L252-L255 HydrophobicContact CD1-CD1 3.98Å; L252-L255 WeakPolarHBondContact O-CB 3.33Å; L252-L255 WeakPolarHBondContact O-CG 3.34Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-L255 VanDerWaalsContact O-N 3.11Å; L252-F275 HydrophobicContact CB-CZ 4.15Å; L252-F275 HydrophobicContact CD2-CE1 4.44Å; L252-F275 HydrophobicContact CD2-CZ 4.05Å; L252-F275 HydrophobicContact CG-CE1 4.1Å; L252-F275 HydrophobicContact CG-CZ 3.95Å; L252-W276 WeakPolarHBondContact O-CH2 3.43Å; L252-W276 WeakPolarHBondContact O-CZ3 3.09Å |
| 253 | R | 90.9 | Very high | 87.1 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 18% | 0.177 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -29.8 | 175.8 | 179.8 | 58.3 | -172.7 | 79.4 | 2.1 | 113.5 | L249 L250 L255 F275 W276 I278 E280 F283 | L249-R253 PolarHBondContact O-N 3.07Å; L250-R253 PolarHBondContact O-N 2.86Å; R253-L255 PolarHBondContact O-N 2.86Å; R253-F275 HydrophobicContact CB-CE1 4.17Å; R253-F275 HydrophobicContact CB-CZ 3.96Å; R253-W276 PolarHBondContact NH2-O 3.1Å; R253-W276 VanDerWaalsContact NH2-O 3.1Å; R253-I278 PolarHBondContact NE-O 3.2Å; R253-I278 PolarHBondContact NH2-O 2.96Å; R253-E280 HydrophobicContact CG-CG 4.21Å; R253-F283 HydrophobicContact CB-CD2 4.46Å; R253-F283 HydrophobicContact CB-CE1 4.44Å; R253-F283 HydrophobicContact CB-CE2 4.08Å; R253-F283 HydrophobicContact CB-CZ 4.07Å; R253-F283 HydrophobicContact CG-CD2 4.04Å; R253-F283 HydrophobicContact CG-CE2 3.52Å; R253-F283 HydrophobicContact CG-CZ 3.91Å |
| 254 | R | 88.8 | Confident | 87.1 | Confident | 150 Ų | 150 | 47.5 Ų | 47.5 | 57% | 0.566 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -10.8 | 176.1 | -79 | 170.5 | 174 | 162.1 | 6.5 | 114.7 | L250 L252 E280 | L250-R254 WeakPolarHBondContact O-CG 3.07Å; L250-R254 PolarHBondContact O-N 2.81Å; L250-R254 VanDerWaalsContact O-N 3.16Å; L252-R254 PolarHBondContact O-N 3.12Å; R254-E280 HydrophobicContact CG-CG 4.46Å; R254-E280 WeakPolarHBondContact CG-OE1 3.25Å; R254-E280 WeakPolarHBondContact CG-OE2 3.32Å; R254-E280 IonicContact CZ-OE2 3.83Å; R254-E280 IonicContact NE-OE2 2.71Å; R254-E280 PolarHBondContact NE-OE2 3.36Å; R254-E280 IonicContact NH2-OE2 2.72Å; R254-E280 PolarHBondContact NH2-OE2 3.29Å |
| 255 | L | 83.4 | Confident | 87.1 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74.4 | 147.1 | 173 | -54.5 | -172.6 | 0 | 0 | 0 | 110.1 | I220 W251 L252 R253 W276 | I220-L255 HydrophobicContact CB-CD1 4.48Å; I220-L255 HydrophobicContact CD1-CD1 3.73Å; I220-L255 HydrophobicContact CG2-CD1 4.43Å; W251-L255 HydrophobicContact CZ3-CD1 4.27Å; L252-L255 HydrophobicContact CD1-CD1 3.98Å; L252-L255 WeakPolarHBondContact O-CB 3.33Å; L252-L255 WeakPolarHBondContact O-CG 3.34Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-L255 VanDerWaalsContact O-N 3.11Å; R253-L255 PolarHBondContact O-N 2.86Å; L255-W276 WeakPolarHBondContact O-CZ3 3.37Å |
| 256 | T | 65.3 | Low | 87.1 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | trans | -98.7 | 121.8 | 170.3 | 59.3 | 0 | 0 | 0 | 0 | 108.9 | V222 Y223 | V222-T256 WeakPolarHBondContact CA-OG1 3.19Å; V222-T256 WeakPolarHBondContact CG1-OG1 3.38Å; Y223-T256 PolarHBondContact N-OG1 2.9Å | ||
| 257 | R | 70.9 | Confident | 87.1 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | trans | -139.2 | 166.1 | -175.5 | -74.2 | -172 | 52.7 | 97.3 | 3.9 | 111.2 | I220 L236 D260 W276 | I220-R257 HydrophobicContact CG2-CG 4.49Å; L236-R257 PolarHBondContact O-NH1 2.8Å; L236-R257 PolarHBondContact O-NH2 2.83Å; R257-D260 IonicContact NH2-OD2 3.46Å; R257-D260 PolarHBondContact NH2-OD2 2.91Å; R257-W276 HydrophobicContact CB-CH2 4.25Å; R257-W276 HydrophobicContact CB-CZ2 4.04Å; R257-W276 HydrophobicContact CG-CH2 4.16Å; R257-W276 HydrophobicContact CG-CZ2 4.23Å | ||
| 258 | E | 66.1 | Low | 87 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | trans | -71.1 | 149.2 | 158 | -76.4 | 170 | -175 | 0 | 0 | 109 | Y223 D260 | Y223-E258 HydrophobicContact CE2-CG 4.02Å; Y223-E258 PolarHBondContact OH-OE1 2.93Å; Y223-E258 PolarHBondContact OH-OE2 3.39Å; E258-D260 PolarHBondContact O-N 2.89Å | ||
| 259 | D | 67 | Low | 87 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | trans | -84.2 | 105.5 | -175.8 | -170.2 | -10.9 | 0 | 0 | 0 | 109.3 | L261 | D259-L261 PolarHBondContact O-N 2.93Å; D259-L261 PolarHBondContact OD1-N 3.37Å; D259-L261 VanDerWaalsContact OD1-N 3.1Å | ||
| 260 | D | 69.8 | Low | 87 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -91.9 | 20.3 | 178.7 | -70.4 | -48.3 | 0 | 0 | 0 | 111.2 | R257 E258 E262 | R257-D260 IonicContact NH2-OD2 3.46Å; R257-D260 PolarHBondContact NH2-OD2 2.91Å; E258-D260 PolarHBondContact O-N 2.89Å; D260-E262 VanDerWaalsContact C-N 3.27Å; D260-E262 VanDerWaalsContact C-OE2 3.32Å; D260-E262 WeakPolarHBondContact CA-OE2 3.17Å; D260-E262 PolarHBondContact N-OE2 3.06Å; D260-E262 PolarHBondContact O-N 3.27Å | ||
| 261 | L | 87.4 | Confident | 87.2 | Confident | 107 Ų | 107 | 59.6 Ų | 59.6 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | trans | 61.4 | 28 | 179.9 | -53.5 | 175.5 | 0 | 0 | 0 | 114.1 | D259 T263 Y274 | D259-L261 PolarHBondContact O-N 2.93Å; D259-L261 PolarHBondContact OD1-N 3.37Å; D259-L261 VanDerWaalsContact OD1-N 3.1Å; L261-T263 PolarHBondContact O-N 2.78Å; L261-T263 PolarHBondContact O-OG1 3.35Å; L261-T263 VanDerWaalsContact O-OG1 3.07Å; L261-Y274 HydrophobicContact CB-CD1 4.41Å; L261-Y274 HydrophobicContact CB-CE1 4.11Å; L261-Y274 HydrophobicContact CD2-CD1 4.37Å; L261-Y274 HydrophobicContact CD2-CE1 3.96Å | ||
| 262 | E | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -59.3 | 136.7 | 174 | -52.8 | 100.3 | 125.1 | 0 | 0 | 110.2 | F238 L243 D260 Y274 F275 W276 | F238-E262 HydrophobicContact CD2-CG 4.03Å; F238-E262 HydrophobicContact CE1-CG 4.42Å; F238-E262 WeakPolarHBondContact CE1-OE1 3.32Å; F238-E262 HydrophobicContact CE2-CB 3.99Å; F238-E262 HydrophobicContact CE2-CG 3.72Å; F238-E262 HydrophobicContact CZ-CB 4.45Å; F238-E262 HydrophobicContact CZ-CG 3.93Å; F238-E262 VanDerWaalsContact CZ-OE1 3.27Å; F238-E262 WeakPolarHBondContact CZ-OE1 3.08Å; L243-E262 HydrophobicContact CD1-CB 4.34Å; D260-E262 VanDerWaalsContact C-N 3.27Å; D260-E262 VanDerWaalsContact C-OE2 3.32Å; D260-E262 WeakPolarHBondContact CA-OE2 3.17Å; D260-E262 PolarHBondContact N-OE2 3.06Å; D260-E262 PolarHBondContact O-N 3.27Å; E262-Y274 CarbonylContact O-C 3.6Å; E262-Y274 WeakPolarHBondContact O-CA 3.28Å; E262-F275 HydrophobicContact CB-CB 3.98Å; E262-F275 WeakPolarHBondContact O-CB 3.15Å; E262-F275 PolarHBondContact O-N 3.31Å; E262-W276 PolarHBondContact OE1-NE1 3.19Å; E262-W276 VanDerWaalsContact OE2-CD1 3.29Å; E262-W276 PolarHBondContact OE2-NE1 3.5Å | ||
| 263 | T | 95.2 | Very high | 87.5 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 137.1 | -168 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | L261 K273 | L261-T263 PolarHBondContact O-N 2.78Å; L261-T263 PolarHBondContact O-OG1 3.35Å; L261-T263 VanDerWaalsContact O-OG1 3.07Å; T263-K273 WeakPolarHBondContact CA-O 3.32Å |
| 264 | C | 97.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.6 | 174.6 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | C245 L270 S271 A272 K273 I278 | C245-C264 HydrophobicContact CB-CB 3.79Å; C245-C264 WeakPolarHBondContact CB-SG 3.39Å; C245-C264 WeakPolarHBondContact SG-CB 3.32Å; C245-C264 CovalentContact SG-SG 2.02Å; C245-C264 PolarHBondContact SG-SG 2.65Å; C264-L270 HydrophobicContact CB-CB 4.27Å; C264-L270 VanDerWaalsContact CB-O 3.26Å; C264-L270 WeakPolarHBondContact CB-O 3.22Å; C264-S271 CarbonylContact O-C 3.31Å; C264-S271 WeakPolarHBondContact O-CA 3.49Å; C264-A272 PolarHBondContact O-N 3.48Å; C264-K273 PolarHBondContact N-O 3.12Å; C264-I278 HydrophobicContact CB-CD1 4.22Å; C264-I278 WeakPolarHBondContact SG-CD1 3.22Å |
| 265 | A | 97.8 | Very high | 88 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -29.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P242 L243 S271 | P242-A265 HydrophobicContact CB-CB 3.92Å; L243-A265 PolarHBondContact O-N 3Å; A265-S271 WeakPolarHBondContact O-CB 3.26Å; A265-S271 PolarHBondContact O-OG 2.56Å |
| 266 | S | 96.6 | Very high | 88.4 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 163.8 | -178.1 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | L243 H244 C245 | L243-S266 PolarHBondContact O-N 3.03Å; H244-S266 CarbonylContact C-O 3.4Å; H244-S266 WeakPolarHBondContact CA-O 3.4Å; H244-S266 WeakPolarHBondContact CA-OG 3.42Å; H244-S266 PolarHBondContact ND1-OG 2.74Å; C245-S266 PolarHBondContact N-O 3.37Å |
| 267 | P | 96.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | S | Bend | cis | -61.1 | 172.8 | -8.2 | 27.9 | -36.7 | 0 | 0 | 0 | 113 | D269 L270 S271 | P267-D269 PolarHBondContact O-N 2.69Å; P267-D269 VanDerWaalsContact O-N 3.1Å; P267-L270 HydrophobicContact CG-CD1 4.28Å; P267-L270 HydrophobicContact CG-CG 4.23Å; P267-L270 CarbonylContact O-C 3.15Å; P267-L270 PolarHBondContact O-N 3.5Å; P267-S271 PolarHBondContact O-N 3.36Å |
| 268 | S | 94.8 | Very high | 90.7 | Very high | 98 Ų | 98 | 59 Ų | 59 | 69% | 0.685 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -49.4 | -40.3 | -175.5 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | L270 S271 | S268-L270 PolarHBondContact O-N 3.14Å; S268-S271 WeakPolarHBondContact O-CB 3.32Å; S268-S271 PolarHBondContact O-N 3.16Å |
| 269 | D | 94.3 | Very high | 92 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -77.2 | -13.9 | -171.2 | -51.5 | -7.1 | 0 | 0 | 0 | 112.2 | P267 K273 | P267-D269 PolarHBondContact O-N 2.69Å; P267-D269 VanDerWaalsContact O-N 3.1Å; D269-K273 VanDerWaalsContact O-CE 3.22Å; D269-K273 WeakPolarHBondContact O-CE 3.44Å; D269-K273 PolarHBondContact O-NZ 3.15Å |
| 270 | L | 95.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -110.6 | -1.5 | 173.6 | -56.1 | -173.5 | 0 | 0 | 0 | 112.9 | C245 C264 P267 S268 A272 K273 I278 E282 | C245-L270 HydrophobicContact CB-CD1 3.88Å; C245-L270 VanDerWaalsContact O-CD1 3.23Å; C245-L270 WeakPolarHBondContact O-CD1 3.37Å; C264-L270 HydrophobicContact CB-CB 4.27Å; C264-L270 VanDerWaalsContact CB-O 3.26Å; C264-L270 WeakPolarHBondContact CB-O 3.22Å; P267-L270 HydrophobicContact CG-CD1 4.28Å; P267-L270 HydrophobicContact CG-CG 4.23Å; P267-L270 CarbonylContact O-C 3.15Å; P267-L270 PolarHBondContact O-N 3.5Å; S268-L270 PolarHBondContact O-N 3.14Å; L270-A272 PolarHBondContact O-N 2.93Å; L270-K273 HydrophobicContact CD2-CD 4.02Å; L270-K273 WeakPolarHBondContact O-CB 3.39Å; L270-K273 PolarHBondContact O-N 3.06Å; L270-K273 VanDerWaalsContact O-N 3.16Å; L270-I278 HydrophobicContact CB-CD1 4.34Å; L270-I278 HydrophobicContact CD1-CD1 4.44Å; L270-I278 HydrophobicContact CD1-CG2 4.39Å; L270-I278 HydrophobicContact CD2-CD1 4.39Å; L270-I278 HydrophobicContact CD2-CG2 4.09Å; L270-E282 HydrophobicContact CD2-CB 4.17Å; L270-E282 HydrophobicContact CD2-CG 4.47Å; L270-E282 WeakPolarHBondContact CD2-OE2 3.33Å |
| 271 | S | 96.5 | Very high | 94.5 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 136.3 | -176.6 | -158.8 | 0 | 0 | 0 | 0 | 111.4 | C264 A265 P267 S268 K273 | C264-S271 CarbonylContact O-C 3.31Å; C264-S271 WeakPolarHBondContact O-CA 3.49Å; A265-S271 WeakPolarHBondContact O-CB 3.26Å; A265-S271 PolarHBondContact O-OG 2.56Å; P267-S271 PolarHBondContact O-N 3.36Å; S268-S271 WeakPolarHBondContact O-CB 3.32Å; S268-S271 PolarHBondContact O-N 3.16Å; S271-K273 PolarHBondContact O-N 3Å; S271-K273 VanDerWaalsContact O-N 3.16Å |
| 272 | A | 94.2 | Very high | 94.8 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 66% | 0.661 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 9.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | C264 L270 | C264-A272 PolarHBondContact O-N 3.48Å; L270-A272 PolarHBondContact O-N 2.93Å |
| 273 | K | 94.9 | Very high | 94.9 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | trans | -81 | 144.4 | 167.8 | -66 | -176.4 | -177.3 | 160.6 | 0 | 110.8 | T263 C264 D269 L270 S271 I278 E282 | T263-K273 WeakPolarHBondContact CA-O 3.32Å; C264-K273 PolarHBondContact N-O 3.12Å; D269-K273 VanDerWaalsContact O-CE 3.22Å; D269-K273 WeakPolarHBondContact O-CE 3.44Å; D269-K273 PolarHBondContact O-NZ 3.15Å; L270-K273 HydrophobicContact CD2-CD 4.02Å; L270-K273 WeakPolarHBondContact O-CB 3.39Å; L270-K273 PolarHBondContact O-N 3.06Å; L270-K273 VanDerWaalsContact O-N 3.16Å; S271-K273 PolarHBondContact O-N 3Å; S271-K273 VanDerWaalsContact O-N 3.16Å; K273-I278 HydrophobicContact CB-CD1 3.83Å; K273-I278 HydrophobicContact CB-CG1 3.89Å; K273-I278 HydrophobicContact CD-CD1 4.39Å; K273-I278 HydrophobicContact CD-CG1 4Å; K273-E282 IonicContact NZ-OE2 3.98Å; K273-E282 PolarHBondContact NZ-OE2 3.13Å | ||
| 274 | Y | 94.8 | Very high | 94.8 | Very high | 111 Ų | 111 | 60 Ų | 60 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 129.3 | 172.5 | -64.2 | -66 | 0 | 0 | 0 | 111 | L261 E262 W276 T277 I278 | L261-Y274 HydrophobicContact CB-CD1 4.41Å; L261-Y274 HydrophobicContact CB-CE1 4.11Å; L261-Y274 HydrophobicContact CD2-CD1 4.37Å; L261-Y274 HydrophobicContact CD2-CE1 3.96Å; E262-Y274 CarbonylContact O-C 3.6Å; E262-Y274 WeakPolarHBondContact O-CA 3.28Å; Y274-W276 PolarHBondContact O-N 3Å; Y274-T277 PolarHBondContact O-N 2.88Å; Y274-T277 PolarHBondContact O-OG1 2.85Å; Y274-I278 PolarHBondContact O-N 3.18Å |
| 275 | F | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -52 | -47.1 | -171.4 | -179.1 | -96.3 | 0 | 0 | 0 | 113.3 | F238 L243 L249 L252 R253 E262 T277 F283 | F238-F275 HydrophobicContact CZ-CD1 4.41Å; F238-F275 HydrophobicContact CZ-CE1 4.37Å; L243-F275 HydrophobicContact CD1-CD2 4Å; L243-F275 HydrophobicContact CD1-CG 4.46Å; L249-F275 HydrophobicContact CB-CE2 4.02Å; L249-F275 HydrophobicContact CB-CZ 4.34Å; L249-F275 HydrophobicContact CD1-CE2 4.01Å; L252-F275 HydrophobicContact CB-CZ 4.15Å; L252-F275 HydrophobicContact CD2-CE1 4.44Å; L252-F275 HydrophobicContact CD2-CZ 4.05Å; L252-F275 HydrophobicContact CG-CE1 4.1Å; L252-F275 HydrophobicContact CG-CZ 3.95Å; R253-F275 HydrophobicContact CB-CE1 4.17Å; R253-F275 HydrophobicContact CB-CZ 3.96Å; E262-F275 HydrophobicContact CB-CB 3.98Å; E262-F275 WeakPolarHBondContact O-CB 3.15Å; E262-F275 PolarHBondContact O-N 3.31Å; F275-T277 VanDerWaalsContact C-N 3.31Å; F275-T277 PolarHBondContact O-N 3.14Å; F275-F283 HydrophobicContact CD2-CE1 4.09Å; F275-F283 HydrophobicContact CD2-CZ 4.05Å; F275-F283 AromaticContact CE2-CE1 3.58Å; F275-F283 HydrophobicContact CE2-CE1 3.58Å; F275-F283 AromaticContact CE2-CZ 3.83Å; F275-F283 HydrophobicContact CE2-CZ 3.83Å; F275-F283 HydrophobicContact CZ-CE1 4.21Å; F275-F283 HydrophobicContact CZ-CZ 4.29Å |
| 276 | W | 92.1 | Very high | 94.5 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -73.5 | -19.6 | -178.6 | -56.6 | 111.3 | 0 | 0 | 0 | 114.1 | F238 L252 R253 L255 R257 E262 Y274 | F238-W276 HydrophobicContact CE1-CZ2 4.05Å; F238-W276 HydrophobicContact CZ-CH2 4.33Å; F238-W276 AromaticContact CZ-CZ2 3.69Å; F238-W276 HydrophobicContact CZ-CZ2 3.69Å; L252-W276 WeakPolarHBondContact O-CH2 3.43Å; L252-W276 WeakPolarHBondContact O-CZ3 3.09Å; R253-W276 PolarHBondContact NH2-O 3.1Å; R253-W276 VanDerWaalsContact NH2-O 3.1Å; L255-W276 WeakPolarHBondContact O-CZ3 3.37Å; R257-W276 HydrophobicContact CB-CH2 4.25Å; R257-W276 HydrophobicContact CB-CZ2 4.04Å; R257-W276 HydrophobicContact CG-CH2 4.16Å; R257-W276 HydrophobicContact CG-CZ2 4.23Å; E262-W276 PolarHBondContact OE1-NE1 3.19Å; E262-W276 VanDerWaalsContact OE2-CD1 3.29Å; E262-W276 PolarHBondContact OE2-NE1 3.5Å; Y274-W276 PolarHBondContact O-N 3Å |
| 277 | T | 91.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 65 Ų | 65 | 55% | 0.546 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -81.2 | -22.9 | 179.9 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | Y274 F275 | Y274-T277 PolarHBondContact O-N 2.88Å; Y274-T277 PolarHBondContact O-OG1 2.85Å; F275-T277 VanDerWaalsContact C-N 3.31Å; F275-T277 PolarHBondContact O-N 3.14Å |
| 278 | I | 93 | Very high | 94.2 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -71.4 | 133.9 | 178 | -58.7 | 163.6 | 0 | 0 | 0 | 108.5 | R253 C264 L270 K273 Y274 E282 F283 | R253-I278 PolarHBondContact NE-O 3.2Å; R253-I278 PolarHBondContact NH2-O 2.96Å; C264-I278 HydrophobicContact CB-CD1 4.22Å; C264-I278 WeakPolarHBondContact SG-CD1 3.22Å; L270-I278 HydrophobicContact CB-CD1 4.34Å; L270-I278 HydrophobicContact CD1-CD1 4.44Å; L270-I278 HydrophobicContact CD1-CG2 4.39Å; L270-I278 HydrophobicContact CD2-CD1 4.39Å; L270-I278 HydrophobicContact CD2-CG2 4.09Å; K273-I278 HydrophobicContact CB-CD1 3.83Å; K273-I278 HydrophobicContact CB-CG1 3.89Å; K273-I278 HydrophobicContact CD-CD1 4.39Å; K273-I278 HydrophobicContact CD-CG1 4Å; Y274-I278 PolarHBondContact O-N 3.18Å; I278-E282 HydrophobicContact CG2-CB 3.52Å; I278-E282 HydrophobicContact CG2-CG 4.44Å; I278-F283 HydrophobicContact CB-CE2 3.79Å; I278-F283 HydrophobicContact CB-CZ 4.19Å; I278-F283 HydrophobicContact CD1-CZ 4.44Å; I278-F283 HydrophobicContact CG2-CD2 4.01Å; I278-F283 HydrophobicContact CG2-CE2 3.48Å; I278-F283 VanDerWaalsContact CG2-CE2 3.48Å; I278-F283 HydrophobicContact CG2-CZ 4.14Å |
| 279 | P | 93.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 63 Ų | 63 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | trans | -71.8 | 159.2 | 175.6 | 32.1 | -36.4 | 0 | 0 | 0 | 111.7 | E281 E282 F283 | P279-E281 WeakPolarHBondContact CB-OE2 3.33Å; P279-E281 PolarHBondContact O-N 2.91Å; P279-E282 WeakPolarHBondContact CD-OE1 3.45Å; P279-E282 HydrophobicContact CG-CB 4.15Å; P279-E282 HydrophobicContact CG-CG 3.93Å; P279-E282 WeakPolarHBondContact CG-OE1 3.22Å; P279-E282 PolarHBondContact O-N 3.05Å; P279-F283 WeakPolarHBondContact O-CD2 3.48Å | ||
| 280 | E | 94.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 59 Ų | 59 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -61.5 | -30.7 | -177 | -78.7 | -171.8 | -140.5 | 0 | 0 | 112.7 | L250 R253 R254 E282 F283 | L250-E280 HydrophobicContact CD1-CB 3.87Å; L250-E280 HydrophobicContact CD1-CG 3.95Å; R253-E280 HydrophobicContact CG-CG 4.21Å; R254-E280 HydrophobicContact CG-CG 4.46Å; R254-E280 WeakPolarHBondContact CG-OE1 3.25Å; R254-E280 WeakPolarHBondContact CG-OE2 3.32Å; R254-E280 IonicContact CZ-OE2 3.83Å; R254-E280 IonicContact NE-OE2 2.71Å; R254-E280 PolarHBondContact NE-OE2 3.36Å; R254-E280 IonicContact NH2-OE2 2.72Å; R254-E280 PolarHBondContact NH2-OE2 3.29Å; E280-E282 VanDerWaalsContact C-N 3.27Å; E280-E282 PolarHBondContact O-N 3.25Å; E280-F283 PolarHBondContact O-N 2.61Å |
| 281 | E | 93.5 | Very high | 93.5 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 71% | 0.71 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -72 | -17.1 | -177.4 | -59.6 | 77.8 | -172.8 | 0 | 0 | 113.6 | P279 | P279-E281 WeakPolarHBondContact CB-OE2 3.33Å; P279-E281 PolarHBondContact O-N 2.91Å |
| 282 | E | 95.1 | Very high | 92.8 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -82.9 | -12.7 | 175.4 | -87.7 | 178.1 | -118.2 | 0 | 0 | 112.7 | L270 K273 I278 P279 E280 I284 | L270-E282 HydrophobicContact CD2-CB 4.17Å; L270-E282 HydrophobicContact CD2-CG 4.47Å; L270-E282 WeakPolarHBondContact CD2-OE2 3.33Å; K273-E282 IonicContact NZ-OE2 3.98Å; K273-E282 PolarHBondContact NZ-OE2 3.13Å; I278-E282 HydrophobicContact CG2-CB 3.52Å; I278-E282 HydrophobicContact CG2-CG 4.44Å; P279-E282 WeakPolarHBondContact CD-OE1 3.45Å; P279-E282 HydrophobicContact CG-CB 4.15Å; P279-E282 HydrophobicContact CG-CG 3.93Å; P279-E282 WeakPolarHBondContact CG-OE1 3.22Å; P279-E282 PolarHBondContact O-N 3.05Å; E280-E282 VanDerWaalsContact C-N 3.27Å; E280-E282 PolarHBondContact O-N 3.25Å; E282-I284 VanDerWaalsContact C-N 3.34Å; E282-I284 PolarHBondContact O-N 3.45Å |
| 283 | F | 95.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | trans | -83.6 | 73 | 177.7 | -71.8 | -98 | 0 | 0 | 0 | 111.7 | C245 N246 C247 L249 L250 R253 F275 I278 P279 E280 | C245-F283 HydrophobicContact CB-CD1 4.12Å; C245-F283 HydrophobicContact CB-CE1 3.67Å; C245-F283 HydrophobicContact CB-CZ 4.44Å; N246-F283 WeakPolarHBondContact O-CD1 3.45Å; C247-F283 VanDerWaalsContact CA-O 3.32Å; C247-F283 WeakPolarHBondContact CA-O 3.43Å; C247-F283 WeakPolarHBondContact CB-O 3.36Å; C247-F283 PolarHBondContact N-O 3.43Å; L249-F283 HydrophobicContact CB-CD1 4.36Å; L249-F283 HydrophobicContact CB-CE1 4.32Å; L250-F283 HydrophobicContact CB-CB 4.34Å; L250-F283 HydrophobicContact CD1-CB 4.28Å; R253-F283 HydrophobicContact CB-CD2 4.46Å; R253-F283 HydrophobicContact CB-CE1 4.44Å; R253-F283 HydrophobicContact CB-CE2 4.08Å; R253-F283 HydrophobicContact CB-CZ 4.07Å; R253-F283 HydrophobicContact CG-CD2 4.04Å; R253-F283 HydrophobicContact CG-CE2 3.52Å; R253-F283 HydrophobicContact CG-CZ 3.91Å; F275-F283 HydrophobicContact CD2-CE1 4.09Å; F275-F283 HydrophobicContact CD2-CZ 4.05Å; F275-F283 AromaticContact CE2-CE1 3.58Å; F275-F283 HydrophobicContact CE2-CE1 3.58Å; F275-F283 AromaticContact CE2-CZ 3.83Å; F275-F283 HydrophobicContact CE2-CZ 3.83Å; F275-F283 HydrophobicContact CZ-CE1 4.21Å; F275-F283 HydrophobicContact CZ-CZ 4.29Å; I278-F283 HydrophobicContact CB-CE2 3.79Å; I278-F283 HydrophobicContact CB-CZ 4.19Å; I278-F283 HydrophobicContact CD1-CZ 4.44Å; I278-F283 HydrophobicContact CG2-CD2 4.01Å; I278-F283 HydrophobicContact CG2-CE2 3.48Å; I278-F283 VanDerWaalsContact CG2-CE2 3.48Å; I278-F283 HydrophobicContact CG2-CZ 4.14Å; P279-F283 WeakPolarHBondContact O-CD2 3.48Å; E280-F283 PolarHBondContact O-N 2.61Å | ||
| 284 | I | 93.8 | Very high | 91.8 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 55% | 0.554 | 33% | 0.33 | S | S | * | . | trans | -93.7 | 156.8 | -175 | -60.8 | 167.9 | 0 | 0 | 0 | 110.8 | N246 C247 E282 | N246-I284 WeakPolarHBondContact CA-O 3.43Å; N246-I284 WeakPolarHBondContact CB-O 3.46Å; C247-I284 PolarHBondContact N-O 2.91Å; C247-I284 VanDerWaalsContact N-O 3.17Å; E282-I284 VanDerWaalsContact C-N 3.34Å; E282-I284 PolarHBondContact O-N 3.45Å | ||
| 285 | C | 94.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | trans | -129.5 | 144.6 | 166.9 | -75.7 | 0 | 0 | 0 | 0 | 109.4 | C247 D314 A365 | C247-C285 VanDerWaalsContact CA-SG 3.52Å; C247-C285 HydrophobicContact CB-CB 3.83Å; C247-C285 WeakPolarHBondContact CB-SG 3.48Å; C247-C285 PolarHBondContact N-SG 3.04Å; C247-C285 WeakPolarHBondContact SG-CB 3.45Å; C247-C285 CovalentContact SG-SG 2.03Å; C247-C285 PolarHBondContact SG-SG 3.12Å; C285-D314 CarbonylContact C-O 3.59Å; C285-D314 WeakPolarHBondContact CA-O 3.36Å; C285-D314 WeakPolarHBondContact CB-O 3.05Å; C285-A365 HydrophobicContact CB-CB 3.78Å | ||
| 286 | D | 93.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 69.6 Ų | 69.6 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127 | 178 | -73.7 | -37.2 | 0 | 0 | 0 | 111.4 | D314 N363 | D286-D314 HydrophobicContact CB-CB 4.08Å; D286-D314 PolarHBondContact N-O 3.22Å; D286-D314 PolarHBondContact O-N 3.31Å; D286-N363 PolarHBondContact O-ND2 2.91Å |
| 287 | P | 92.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 69.4 Ų | 69.4 | 43% | 0.429 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 155 | 179.7 | 29.3 | -35.8 | 0 | 0 | 0 | 111.9 | A365 | P287-A365 HydrophobicContact CB-CB 4.16Å |
| 288 | P | 93.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 140.4 | -176.4 | 25.3 | -32.8 | 0 | 0 | 0 | 112.2 | N312 P317 A361 N363 G366 S368 | P288-N312 CarbonylContact C-O 3.49Å; P288-N312 WeakPolarHBondContact CA-O 3.37Å; P288-P317 HydrophobicContact CB-CB 3.85Å; P288-P317 HydrophobicContact CB-CG 4.08Å; P288-A361 HydrophobicContact CB-CB 4.07Å; P288-A361 VanDerWaalsContact CG-O 3.24Å; P288-A361 WeakPolarHBondContact CG-O 3.34Å; P288-N363 WeakPolarHBondContact CD-OD1 3.28Å; P288-G366 VanDerWaalsContact CD-O 3.28Å; P288-G366 WeakPolarHBondContact CD-O 3.18Å; P288-G366 WeakPolarHBondContact CG-O 3.27Å; P288-S368 WeakPolarHBondContact O-CB 3.45Å; P288-S368 PolarHBondContact O-OG 2.88Å |
| 289 | V | 92.8 | Very high | 90 | Very high | 89 Ų | 89 | 69.8 Ų | 69.8 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.8 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | T291 A311 N312 | V289-T291 PolarHBondContact O-N 2.86Å; V289-T291 VanDerWaalsContact O-N 3.15Å; V289-A311 CarbonylContact O-C 3.14Å; V289-A311 VanDerWaalsContact O-CA 3.28Å; V289-A311 WeakPolarHBondContact O-CA 3.08Å; V289-N312 PolarHBondContact N-O 3.19Å; V289-N312 PolarHBondContact O-N 3.02Å |
| 290 | L | 90.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 108.9 | 175.7 | -60.5 | -171.7 | 0 | 0 | 0 | 110.2 | A311 A361 G370 | L290-A311 HydrophobicContact CD2-CB 3.84Å; L290-A361 HydrophobicContact CD2-CB 3.79Å; L290-G370 VanDerWaalsContact CD1-CA 3.46Å |
| 291 | T | 87.6 | Confident | 89.7 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -28.8 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | V289 K310 N312 | V289-T291 PolarHBondContact O-N 2.86Å; V289-T291 VanDerWaalsContact O-N 3.15Å; T291-K310 PolarHBondContact N-O 2.95Å; T291-K310 PolarHBondContact OG1-O 3.34Å; T291-N312 HydrophobicContact CG2-CB 3.84Å; T291-N312 VanDerWaalsContact CG2-CG 3.47Å; T291-N312 WeakPolarHBondContact CG2-OD1 3.46Å; T291-N312 PolarHBondContact OG1-OD1 3.05Å; T291-N312 VanDerWaalsContact OG1-OD1 3.1Å |
| 292 | R | 82.5 | Confident | 89.4 | Confident | 197 Ų | 197 | 67.4 Ų | 67.4 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 128.4 | 174.5 | -58.5 | -174.1 | -175.6 | -160.3 | -0.2 | 110.5 | C309 K310 | R292-C309 CarbonylContact O-C 3.45Å; R292-C309 WeakPolarHBondContact O-CA 3.19Å; R292-K310 HydrophobicContact CB-CB 4.34Å; R292-K310 PolarHBondContact N-O 3.01Å; R292-K310 PolarHBondContact O-N 2.92Å |
| 293 | K | 84.6 | Confident | 89.2 | Confident | 92 Ų | 92 | 68.9 Ų | 68.9 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.2 | 168.1 | 71.9 | -172.4 | -171.7 | 73.4 | 0 | 111 | P295 K308 R371 V372 | K293-P295 WeakPolarHBondContact O-CD 3.46Å; K293-K308 CarbonylContact C-O 3.58Å; K293-K308 VanDerWaalsContact CA-O 3.23Å; K293-K308 WeakPolarHBondContact CA-O 3.14Å; K293-R371 PolarHBondContact NZ-O 2.92Å; K293-V372 HydrophobicContact CB-CG2 4.49Å |
| 294 | S | 82.1 | Confident | 89 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 12% | 0.119 | 39% | 0.391 | C | S | . | . | trans | -66.2 | 121.5 | 164 | 40 | 0 | 0 | 0 | 0 | 108.5 | K308 V372 | S294-K308 PolarHBondContact N-O 2.69Å; S294-K308 PolarHBondContact OG-N 2.76Å; S294-K308 PolarHBondContact OG-O 3.07Å; S294-V372 WeakPolarHBondContact O-CG1 3.44Å; S294-V372 VanDerWaalsContact O-CG2 3.23Å; S294-V372 WeakPolarHBondContact O-CG2 3.39Å; S294-V372 VanDerWaalsContact OG-CG1 3.22Å; S294-V372 WeakPolarHBondContact OG-CG1 3.44Å | ||
| 295 | P | 74.1 | Confident | 88.9 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -73.1 | -42.5 | 177.7 | 27.6 | -31.7 | 0 | 0 | 0 | 111.2 | K293 E373 | K293-P295 WeakPolarHBondContact O-CD 3.46Å; P295-E373 PolarHBondContact O-N 2.94Å |
| 296 | H | 85.8 | Confident | 88.8 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 43% | 0.431 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 138.6 | -175.4 | 178.4 | 94.9 | 0 | 0 | 0 | 108.6 | V298 E373 V375 | H296-V298 VanDerWaalsContact NE2-CG2 3.26Å; H296-V298 WeakPolarHBondContact NE2-CG2 3.36Å; H296-E373 CarbonylContact C-O 3.55Å; H296-E373 WeakPolarHBondContact CA-O 3.34Å; H296-E373 IonicContact CE1-OE2 3.25Å; H296-E373 PolarHBondContact CE1-OE2 3.1Å; H296-E373 IonicContact CG-OE2 3.27Å; H296-E373 IonicContact ND1-OE2 3.64Å; H296-E373 PolarHBondContact ND1-OE2 2.96Å; H296-V375 VanDerWaalsContact CE1-CG2 3.5Å; H296-V375 WeakPolarHBondContact CE1-CG2 3.32Å |
| 297 | T | 88.9 | Confident | 88.8 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 16% | 0.16 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.7 | 179.4 | -58 | 0 | 0 | 0 | 0 | 109.2 | L307 E373 L374 V375 | T297-L307 HydrophobicContact CG2-CD2 3.96Å; T297-L307 WeakPolarHBondContact OG1-CD2 3.48Å; T297-E373 PolarHBondContact N-O 3.31Å; T297-L374 HydrophobicContact CG2-CD1 4.04Å; T297-L374 WeakPolarHBondContact O-CA 3.42Å; T297-V375 PolarHBondContact O-N 2.85Å |
| 298 | V | 89.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.2 | 175.5 | -173 | 0 | 0 | 0 | 0 | 109.6 | H296 V375 T377 | H296-V298 VanDerWaalsContact NE2-CG2 3.26Å; H296-V298 WeakPolarHBondContact NE2-CG2 3.36Å; V298-V375 WeakPolarHBondContact CA-O 3.35Å; V298-V375 HydrophobicContact CG2-CB 4.48Å; V298-T377 HydrophobicContact CG1-CG2 4.24Å |
| 299 | A | 91.3 | Very high | 88.7 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | A305 T349 L374 V375 V376 T377 | A299-A305 HydrophobicContact CB-CB 3.91Å; A299-T349 HydrophobicContact CB-CG2 4.14Å; A299-L374 HydrophobicContact CB-CD1 4.35Å; A299-V375 PolarHBondContact N-O 3.32Å; A299-V376 CarbonylContact O-C 3.48Å; A299-V376 VanDerWaalsContact O-CA 3.32Å; A299-V376 WeakPolarHBondContact O-CA 3.18Å; A299-T377 PolarHBondContact O-N 3.35Å; A299-T377 PolarHBondContact O-OG1 2.99Å |
| 300 | M | 90.7 | Very high | 88.6 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 147.3 | 168.6 | -61.4 | -177.1 | -168.7 | 0 | 0 | 110 | G302 Q303 T349 T377 | M300-G302 PolarHBondContact O-N 2.84Å; M300-Q303 HydrophobicContact CB-CG 3.97Å; M300-Q303 WeakPolarHBondContact O-CB 3.22Å; M300-Q303 PolarHBondContact O-N 3.05Å; M300-T349 PolarHBondContact O-OG1 3.07Å; M300-T377 CarbonylContact C-O 3.58Å; M300-T377 WeakPolarHBondContact CA-O 3.32Å |
| 301 | E | 91.7 | Very high | 88.6 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 132.9 | 174 | -176.9 | 165.3 | -135 | 0 | 0 | 111.5 | Q303 V376 T377 | E301-Q303 VanDerWaalsContact C-N 3.32Å; E301-Q303 PolarHBondContact O-N 3.41Å; E301-V376 HydrophobicContact CB-CG1 4.27Å; E301-T377 PolarHBondContact N-O 2.78Å |
| 302 | G | 87.6 | Confident | 88.9 | Confident | 42 Ų | 42 | 67 Ų | 67 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | M300 T349 | M300-G302 PolarHBondContact O-N 2.84Å; G302-T349 PolarHBondContact N-O 2.74Å |
| 303 | Q | 90.1 | Very high | 89.4 | Confident | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -88.6 | 160.1 | 175.3 | -64.2 | -60.8 | -54.4 | 0 | 0 | 112.1 | M300 E301 T349 | M300-Q303 HydrophobicContact CB-CG 3.97Å; M300-Q303 WeakPolarHBondContact O-CB 3.22Å; M300-Q303 PolarHBondContact O-N 3.05Å; E301-Q303 VanDerWaalsContact C-N 3.32Å; E301-Q303 PolarHBondContact O-N 3.41Å; Q303-T349 PolarHBondContact O-N 2.98Å; Q303-T349 VanDerWaalsContact O-N 3.1Å; Q303-T349 PolarHBondContact O-OG1 2.54Å |
| 304 | P | 91.6 | Very high | 89.9 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | trans | -75 | 146.3 | 170 | 30.3 | -34.5 | 0 | 0 | 0 | 111.7 | I346 | P304-I346 CarbonylContact C-O 3.34Å; P304-I346 WeakPolarHBondContact CA-O 3.5Å | ||
| 305 | A | 91.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A299 E345 I346 T349 L374 | A299-A305 HydrophobicContact CB-CB 3.91Å; A305-E345 CarbonylContact O-C 3.16Å; A305-E345 WeakPolarHBondContact O-CA 3.49Å; A305-I346 PolarHBondContact N-O 3.17Å; A305-I346 PolarHBondContact O-N 3.17Å; A305-T349 HydrophobicContact CB-CG2 3.55Å; A305-L374 HydrophobicContact CB-CD1 4.08Å |
| 306 | S | 92.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 113.7 | 179.4 | -176 | 0 | 0 | 0 | 0 | 110.7 | L344 | S306-L344 CarbonylContact C-O 3.34Å; S306-L344 WeakPolarHBondContact CA-O 3.49Å |
| 307 | L | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.8 | 175.5 | -53.2 | -172.1 | 0 | 0 | 0 | 108.8 | T297 W321 S343 L344 F357 V372 L374 | T297-L307 HydrophobicContact CG2-CD2 3.96Å; T297-L307 WeakPolarHBondContact OG1-CD2 3.48Å; L307-W321 HydrophobicContact CB-CH2 3.64Å; L307-W321 HydrophobicContact CB-CZ2 4.16Å; L307-W321 HydrophobicContact CB-CZ3 4.07Å; L307-W321 HydrophobicContact CD1-CZ3 4.22Å; L307-S343 CarbonylContact O-C 3.58Å; L307-S343 VanDerWaalsContact O-CA 3.27Å; L307-S343 WeakPolarHBondContact O-CA 3.46Å; L307-S343 WeakPolarHBondContact O-CB 3.42Å; L307-L344 HydrophobicContact CB-CB 4.41Å; L307-L344 HydrophobicContact CD1-CD2 4.34Å; L307-L344 PolarHBondContact N-O 3.34Å; L307-L344 PolarHBondContact O-N 2.76Å; L307-F357 HydrophobicContact CD1-CB 3.82Å; L307-F357 HydrophobicContact CD1-CD1 4.05Å; L307-F357 HydrophobicContact CD1-CD2 3.65Å; L307-F357 HydrophobicContact CD1-CE2 4.23Å; L307-F357 HydrophobicContact CD1-CG 3.55Å; L307-V372 HydrophobicContact CB-CG1 4.22Å; L307-V372 HydrophobicContact CD1-CG1 4.14Å; L307-V372 HydrophobicContact CD2-CG1 3.86Å; L307-V372 HydrophobicContact CG-CG1 4.3Å; L307-L374 HydrophobicContact CD2-CB 4.4Å; L307-L374 HydrophobicContact CD2-CD1 4.31Å |
| 308 | K | 91.9 | Very high | 91.9 | Very high | 129 Ų | 129 | 60.2 Ų | 60.2 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | trans | -106.1 | 129.8 | -175.6 | -65.2 | -179.6 | -177.9 | 175.8 | 0 | 109.5 | K293 S294 | K293-K308 CarbonylContact C-O 3.58Å; K293-K308 VanDerWaalsContact CA-O 3.23Å; K293-K308 WeakPolarHBondContact CA-O 3.14Å; S294-K308 PolarHBondContact N-O 2.69Å; S294-K308 PolarHBondContact OG-N 2.76Å; S294-K308 PolarHBondContact OG-O 3.07Å | ||
| 309 | C | 91.2 | Very high | 92 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 119.2 | 167.7 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | R292 V319 W321 G342 C359 | R292-C309 CarbonylContact O-C 3.45Å; R292-C309 WeakPolarHBondContact O-CA 3.19Å; C309-V319 HydrophobicContact CB-CG1 4.42Å; C309-W321 HydrophobicContact CB-CH2 3.73Å; C309-W321 HydrophobicContact CB-CZ2 3.36Å; C309-G342 CarbonylContact O-C 3.52Å; C309-G342 WeakPolarHBondContact O-CA 3.19Å; C309-C359 HydrophobicContact CB-CB 3.46Å; C309-C359 VanDerWaalsContact CB-CB 3.46Å; C309-C359 WeakPolarHBondContact CB-SG 3.09Å; C309-C359 WeakPolarHBondContact SG-CB 3.17Å; C309-C359 CovalentContact SG-SG 2.04Å; C309-C359 PolarHBondContact SG-SG 2.68Å |
| 310 | K | 91.6 | Very high | 92 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.6 | 174.4 | -178.1 | 171.3 | -178.7 | 169.2 | 0 | 109 | T291 R292 | T291-K310 PolarHBondContact N-O 2.95Å; T291-K310 PolarHBondContact OG1-O 3.34Å; R292-K310 HydrophobicContact CB-CB 4.34Å; R292-K310 PolarHBondContact N-O 3.01Å; R292-K310 PolarHBondContact O-N 2.92Å |
| 311 | A | 91.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 156.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V289 L290 P317 A361 | V289-A311 CarbonylContact O-C 3.14Å; V289-A311 VanDerWaalsContact O-CA 3.28Å; V289-A311 WeakPolarHBondContact O-CA 3.08Å; L290-A311 HydrophobicContact CD2-CB 3.84Å; A311-P317 HydrophobicContact CB-CB 4.49Å; A311-P317 HydrophobicContact CB-CG 3.58Å; A311-A361 HydrophobicContact CB-CB 3.36Å |
| 312 | N | 92.8 | Very high | 92 | Very high | 83 Ų | 83 | 54 Ų | 54 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.8 | 166.2 | -68 | 29 | 0 | 0 | 0 | 108.1 | P288 V289 T291 | P288-N312 CarbonylContact C-O 3.49Å; P288-N312 WeakPolarHBondContact CA-O 3.37Å; V289-N312 PolarHBondContact N-O 3.19Å; V289-N312 PolarHBondContact O-N 3.02Å; T291-N312 HydrophobicContact CG2-CB 3.84Å; T291-N312 VanDerWaalsContact CG2-CG 3.47Å; T291-N312 WeakPolarHBondContact CG2-OD1 3.46Å; T291-N312 PolarHBondContact OG1-OD1 3.05Å; T291-N312 VanDerWaalsContact OG1-OD1 3.1Å |
| 313 | G | 93.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | 173.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P315 | G313-P315 CarbonylContact C-O 3.56Å; G313-P315 CarbonylContact O-C 3.58Å |
| 314 | D | 95.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 110.6 | 170.9 | -173.9 | -24.5 | 0 | 0 | 0 | 107.9 | H244 N246 C285 D286 N363 | H244-D314 IonicContact CE1-OD1 2.74Å; H244-D314 IonicContact CE1-OD2 2.78Å; H244-D314 PolarHBondContact CE1-OD2 3.09Å; H244-D314 VanDerWaalsContact CE1-OD2 3.27Å; H244-D314 IonicContact NE2-OD1 3.21Å; H244-D314 PolarHBondContact NE2-OD1 3.15Å; H244-D314 IonicContact NE2-OD2 3.94Å; N246-D314 VanDerWaalsContact CB-OD1 3.32Å; N246-D314 WeakPolarHBondContact CB-OD1 3.31Å; N246-D314 PolarHBondContact ND2-OD1 3.09Å; C285-D314 CarbonylContact C-O 3.59Å; C285-D314 WeakPolarHBondContact CA-O 3.36Å; C285-D314 WeakPolarHBondContact CB-O 3.05Å; D286-D314 HydrophobicContact CB-CB 4.08Å; D286-D314 PolarHBondContact N-O 3.22Å; D286-D314 PolarHBondContact O-N 3.31Å; D314-N363 PolarHBondContact O-ND2 2.84Å |
| 315 | P | 95.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 51.9 Ų | 51.9 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | S | Bend | cis | -66.8 | 165.5 | 1.6 | -14 | 26.6 | 0 | 0 | 0 | 113.1 | E248 G313 P317 N363 A364 | E248-P315 HydrophobicContact CG-CG 3.71Å; E248-P315 WeakPolarHBondContact OE2-CG 3.39Å; G313-P315 CarbonylContact C-O 3.56Å; G313-P315 CarbonylContact O-C 3.58Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å; P315-N363 PolarHBondContact O-ND2 3.04Å; P315-A364 HydrophobicContact CG-CB 4.13Å |
| 316 | E | 92.9 | Very high | 91.4 | Very high | 162 Ų | 162 | 54.3 Ų | 54.3 | 76% | 0.757 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 121.1 | 172.1 | -174.7 | 166.6 | -157.1 | 0 | 0 | 110 | ||
| 317 | P | 93.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 142 | -167.6 | 30.1 | -36.5 | 0 | 0 | 0 | 113.7 | P288 A311 P315 A361 S362 N363 | P288-P317 HydrophobicContact CB-CB 3.85Å; P288-P317 HydrophobicContact CB-CG 4.08Å; A311-P317 HydrophobicContact CB-CB 4.49Å; A311-P317 HydrophobicContact CB-CG 3.58Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å; P317-A361 HydrophobicContact CB-CB 4.35Å; P317-S362 CarbonylContact C-O 3.57Å; P317-S362 WeakPolarHBondContact CA-O 3.46Å; P317-S362 VanDerWaalsContact CB-O 3.31Å; P317-S362 WeakPolarHBondContact CB-O 3.38Å; P317-N363 HydrophobicContact CB-CB 4.11Å |
| 318 | E | 91.7 | Very high | 90.8 | Very high | 137 Ų | 137 | 66 Ų | 66 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.1 | 171.4 | -64.4 | -169.6 | -173.3 | 0 | 0 | 110.2 | H320 A361 S362 | E318-H320 IonicContact OE2-CE1 3.29Å; E318-A361 CarbonylContact O-C 3.52Å; E318-A361 VanDerWaalsContact O-CA 3.27Å; E318-A361 WeakPolarHBondContact O-CA 3.39Å; E318-S362 PolarHBondContact N-O 2.66Å; E318-S362 PolarHBondContact O-N 3.29Å |
| 319 | V | 91.8 | Very high | 90.5 | Very high | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.5 | -176.9 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | C309 C359 I360 A361 | C309-V319 HydrophobicContact CB-CG1 4.42Å; V319-C359 HydrophobicContact CG1-CB 4.4Å; V319-I360 WeakPolarHBondContact CA-O 3.41Å; V319-A361 HydrophobicContact CG2-CB 4.27Å |
| 320 | H | 91 | Very high | 89.7 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 157.6 | 175.4 | -53.7 | -47.2 | 0 | 0 | 0 | 110.8 | E318 L328 C359 I360 | E318-H320 IonicContact OE2-CE1 3.29Å; H320-L328 HydrophobicContact CB-CD1 4.06Å; H320-C359 CarbonylContact O-C 3.57Å; H320-C359 WeakPolarHBondContact O-CA 3.32Å; H320-I360 PolarHBondContact N-O 3.02Å; H320-I360 PolarHBondContact O-N 2.99Å |
| 321 | W | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.6 | -178.5 | -73 | 88.5 | 0 | 0 | 0 | 111.8 | L307 C309 I329 G342 L344 F357 T358 C359 V372 | L307-W321 HydrophobicContact CB-CH2 3.64Å; L307-W321 HydrophobicContact CB-CZ2 4.16Å; L307-W321 HydrophobicContact CB-CZ3 4.07Å; L307-W321 HydrophobicContact CD1-CZ3 4.22Å; C309-W321 HydrophobicContact CB-CH2 3.73Å; C309-W321 HydrophobicContact CB-CZ2 3.36Å; W321-I329 HydrophobicContact CB-CB 4.25Å; W321-I329 HydrophobicContact CB-CD1 4.15Å; W321-I329 PolarHBondContact O-N 2.73Å; W321-G342 PolarHBondContact NE1-O 2.89Å; W321-L344 HydrophobicContact CB-CD2 3.99Å; W321-L344 HydrophobicContact CD2-CB 3.81Å; W321-L344 HydrophobicContact CD2-CD2 3.95Å; W321-L344 HydrophobicContact CE3-CD2 4.13Å; W321-L344 HydrophobicContact CG-CB 3.89Å; W321-L344 HydrophobicContact CG-CD2 3.92Å; W321-L344 HydrophobicContact CG-CG 4.48Å; W321-L344 HydrophobicContact CZ2-CB 4.14Å; W321-F357 HydrophobicContact CE3-CB 4Å; W321-F357 HydrophobicContact CZ3-CB 3.98Å; W321-T358 WeakPolarHBondContact CA-O 3.2Å; W321-C359 HydrophobicContact CD2-CB 3.91Å; W321-C359 HydrophobicContact CE3-CB 3.85Å; W321-C359 HydrophobicContact CH2-CB 3.95Å; W321-C359 HydrophobicContact CZ2-CB 3.97Å; W321-C359 HydrophobicContact CZ3-CB 3.87Å; W321-V372 HydrophobicContact CH2-CB 4.42Å; W321-V372 HydrophobicContact CH2-CG2 3.85Å; W321-V372 HydrophobicContact CZ3-CB 4.13Å; W321-V372 HydrophobicContact CZ3-CG2 3.89Å |
| 322 | I | 91 | Very high | 86.8 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.5 | 173.2 | -58.9 | -174.6 | 0 | 0 | 0 | 108.7 | R327 F357 T358 I360 | I322-R327 CarbonylContact C-O 3.59Å; I322-R327 WeakPolarHBondContact CA-O 3.43Å; I322-F357 WeakPolarHBondContact O-CA 3.18Å; I322-T358 PolarHBondContact N-O 2.87Å; I322-T358 PolarHBondContact O-N 3.06Å; I322-I360 HydrophobicContact CD1-CD1 3.55Å; I322-I360 HydrophobicContact CD1-CG1 4.41Å; I322-I360 HydrophobicContact CG1-CD1 4.26Å |
| 323 | S | 90.3 | Very high | 85.5 | Confident | 15 Ų | 15 | 66.4 Ų | 66.4 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | trans | -73.1 | 165.7 | 177.5 | 79.3 | 0 | 0 | 0 | 0 | 112.5 | E325 G326 R327 | S323-E325 WeakPolarHBondContact CB-OE2 3.16Å; S323-E325 PolarHBondContact O-N 3.28Å; S323-E325 VanDerWaalsContact O-N 3.1Å; S323-E325 PolarHBondContact OG-N 3.01Å; S323-E325 PolarHBondContact OG-OE2 3.1Å; S323-G326 PolarHBondContact O-N 3.22Å; S323-R327 PolarHBondContact N-O 2.76Å; S323-R327 PolarHBondContact OG-N 3.14Å | ||
| 324 | P | 87.9 | Confident | 84.5 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.8 | 176.6 | -26.4 | 36.2 | 0 | 0 | 0 | 114.3 | G326 F357 | P324-G326 VanDerWaalsContact C-N 3.28Å; P324-G326 PolarHBondContact O-N 2.8Å; P324-F357 HydrophobicContact CG-CD2 4.07Å; P324-F357 HydrophobicContact CG-CE2 3.82Å; P324-F357 HydrophobicContact CG-CZ 4.18Å |
| 325 | E | 85.8 | Confident | 84 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 9.6 | 175.7 | -44.2 | 81.4 | 176.7 | 0 | 0 | 113.9 | S323 | S323-E325 WeakPolarHBondContact CB-OE2 3.16Å; S323-E325 PolarHBondContact O-N 3.28Å; S323-E325 VanDerWaalsContact O-N 3.1Å; S323-E325 PolarHBondContact OG-N 3.01Å; S323-E325 PolarHBondContact OG-OE2 3.1Å |
| 326 | G | 83.5 | Confident | 83.5 | Confident | 57 Ų | 57 | 73.6 Ų | 73.6 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 77.3 | 19 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S323 P324 | S323-G326 PolarHBondContact O-N 3.22Å; P324-G326 VanDerWaalsContact C-N 3.28Å; P324-G326 PolarHBondContact O-N 2.8Å |
| 327 | R | 85.8 | Confident | 83.2 | Confident | 186 Ų | 186 | 69.1 Ų | 69.1 | 70% | 0.702 | 39% | 0.393 | S | S | * | . | trans | -98.5 | 136.3 | -178.9 | -62.9 | -177.9 | 177 | -170.5 | -1.8 | 111.9 | I322 S323 | I322-R327 CarbonylContact C-O 3.59Å; I322-R327 WeakPolarHBondContact CA-O 3.43Å; S323-R327 PolarHBondContact N-O 2.76Å; S323-R327 PolarHBondContact OG-N 3.14Å | ||
| 328 | L | 86.8 | Confident | 83 | Confident | 110 Ų | 110 | 69.4 Ų | 69.4 | 58% | 0.576 | 40% | 0.395 | S | S | * | . | B | Isolated β-bridge | trans | -64.4 | 131.9 | 170.9 | -172 | 69.2 | 0 | 0 | 0 | 110.3 | H320 | H320-L328 HydrophobicContact CB-CD1 4.06Å |
| 329 | I | 85.7 | Confident | 82.7 | Confident | 26 Ų | 26 | 67 Ų | 67 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | trans | -95.9 | 107.9 | 179.3 | -59 | 174.9 | 0 | 0 | 0 | 108.6 | W321 T336 V338 L344 F357 | W321-I329 HydrophobicContact CB-CB 4.25Å; W321-I329 HydrophobicContact CB-CD1 4.15Å; W321-I329 PolarHBondContact O-N 2.73Å; I329-T336 HydrophobicContact CG2-CG2 4.48Å; I329-V338 HydrophobicContact CG2-CG2 4.41Å; I329-L344 HydrophobicContact CD1-CD2 3.62Å; I329-L344 HydrophobicContact CG2-CD1 3.98Å; I329-F357 HydrophobicContact CD1-CD1 3.83Å; I329-F357 HydrophobicContact CD1-CE1 3.68Å | ||
| 330 | S | 73.3 | Confident | 82.3 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 54% | 0.538 | 42% | 0.418 | S | S | . | . | trans | -97.4 | 146.1 | 179.5 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | G332 | S330-G332 PolarHBondContact O-N 2.63Å; S330-G332 VanDerWaalsContact O-N 3.09Å | ||
| 331 | N | 66.2 | Low | 81.9 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 57% | 0.572 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 107.4 | 166.2 | -81.4 | -17.8 | 0 | 0 | 0 | 109.6 | V338 | N331-V338 PolarHBondContact ND2-O 3.1Å; N331-V338 PolarHBondContact OD1-N 3.33Å; N331-V338 PolarHBondContact OD1-O 3.19Å |
| 332 | G | 56.5 | Low | 81.6 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 76% | 0.763 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.1 | -17.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S330 | S330-G332 PolarHBondContact O-N 2.63Å; S330-G332 VanDerWaalsContact O-N 3.09Å |
| 333 | S | 65.3 | Low | 81.6 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 42% | 0.423 | S | S | . | . | trans | -75.5 | 132.9 | 163.8 | 129.2 | 0 | 0 | 0 | 0 | 109.4 | R335 T336 | S333-R335 PolarHBondContact O-N 2.94Å; S333-R335 PolarHBondContact OG-N 2.7Å; S333-T336 WeakPolarHBondContact CB-OG1 3.23Å; S333-T336 PolarHBondContact O-N 2.61Å; S333-T336 PolarHBondContact OG-N 2.77Å; S333-T336 VanDerWaalsContact OG-N 3.17Å; S333-T336 PolarHBondContact OG-OG1 3.13Å | ||
| 334 | S | 71.9 | Confident | 81.7 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 85% | 0.846 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.9 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | N347 | S334-N347 PolarHBondContact O-ND2 3.22Š|
| 335 | R | 85.6 | Confident | 81.9 | Confident | 86 Ų | 86 | 72 Ų | 72 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -20.9 | -174.5 | -163.3 | -175.9 | 71.8 | 99.3 | -5.2 | 113.6 | S333 I346 N347 V348 D353 | S333-R335 PolarHBondContact O-N 2.94Å; S333-R335 PolarHBondContact OG-N 2.7Å; R335-I346 CarbonylContact O-C 3.14Å; R335-I346 WeakPolarHBondContact O-CA 3.38Å; R335-N347 PolarHBondContact O-N 3.02Å; R335-V348 PolarHBondContact NH1-O 2.92Å; R335-D353 IonicContact CZ-OD1 3.04Å; R335-D353 IonicContact CZ-OD2 3.03Å; R335-D353 IonicContact NH1-OD1 3.51Å; R335-D353 PolarHBondContact NH1-OD1 2.79Å; R335-D353 IonicContact NH1-OD2 3.63Å; R335-D353 PolarHBondContact NH1-OD2 2.94Å; R335-D353 IonicContact NH2-OD1 2.91Å; R335-D353 PolarHBondContact NH2-OD1 3.33Å; R335-D353 IonicContact NH2-OD2 2.71Å |
| 336 | T | 85.7 | Confident | 82.2 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.2 | -170.9 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | I329 S333 E345 I346 | I329-T336 HydrophobicContact CG2-CG2 4.48Å; S333-T336 WeakPolarHBondContact CB-OG1 3.23Å; S333-T336 PolarHBondContact O-N 2.61Å; S333-T336 PolarHBondContact OG-N 2.77Å; S333-T336 VanDerWaalsContact OG-N 3.17Å; S333-T336 PolarHBondContact OG-OG1 3.13Å; T336-E345 CarbonylContact C-O 3.47Å; T336-E345 VanDerWaalsContact CA-O 3.32Å; T336-E345 WeakPolarHBondContact CA-O 3.5Å; T336-I346 HydrophobicContact CG2-CG1 4.36Å |
| 337 | L | 86.6 | Confident | 82.5 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.8 | -178.1 | -64.2 | 172 | 0 | 0 | 0 | 110.1 | F339 L344 E345 | L337-F339 HydrophobicContact CB-CE2 4.35Å; L337-L344 WeakPolarHBondContact O-CA 3.45Å; L337-E345 PolarHBondContact N-O 2.9Å; L337-E345 PolarHBondContact O-N 3.03Å |
| 338 | V | 87.8 | Confident | 82.7 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.3 | 171.5 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I329 N331 S343 L344 | I329-V338 HydrophobicContact CG2-CG2 4.41Å; N331-V338 PolarHBondContact ND2-O 3.1Å; N331-V338 PolarHBondContact OD1-N 3.33Å; N331-V338 PolarHBondContact OD1-O 3.19Å; V338-S343 WeakPolarHBondContact CA-O 3.19Å; V338-L344 HydrophobicContact CG2-CD1 4.03Å |
| 339 | F | 85.8 | Confident | 82.9 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 37% | 0.373 | 34% | 0.341 | S | S | . | . | trans | -84.7 | 154.8 | -179.2 | -73.8 | -89.6 | 0 | 0 | 0 | 112.2 | L337 N341 G342 S343 E345 | L337-F339 HydrophobicContact CB-CE2 4.35Å; F339-N341 WeakPolarHBondContact CB-OD1 3.43Å; F339-N341 PolarHBondContact O-N 3.07Å; F339-G342 PolarHBondContact O-N 3.5Å; F339-S343 PolarHBondContact N-O 3.44Å; F339-E345 HydrophobicContact CD2-CB 4.44Å; F339-E345 HydrophobicContact CE2-CB 3.74Å; F339-E345 VanDerWaalsContact CE2-OE2 3.26Å; F339-E345 WeakPolarHBondContact CE2-OE2 3.43Å; F339-E345 WeakPolarHBondContact CZ-OE2 3.48Å | ||
| 340 | P | 82.8 | Confident | 83.1 | Confident | 140 Ų | 140 | 57.3 Ų | 57.3 | 91% | 0.909 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.2 | 174.1 | -25.9 | 35.1 | 0 | 0 | 0 | 114.9 | G342 | P340-G342 PolarHBondContact O-N 3.05Š|
| 341 | N | 83.6 | Confident | 83.9 | Confident | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 7.5 | 174.5 | 70.7 | 16.2 | 0 | 0 | 0 | 114 | F339 S343 | F339-N341 WeakPolarHBondContact CB-OD1 3.43Å; F339-N341 PolarHBondContact O-N 3.07Å; N341-S343 VanDerWaalsContact C-N 3.33Å; N341-S343 PolarHBondContact O-N 2.97Å; N341-S343 WeakPolarHBondContact OD1-CB 3.42Å; N341-S343 PolarHBondContact OD1-N 3.21Å; N341-S343 PolarHBondContact OD1-OG 3.33Å |
| 342 | G | 86.6 | Confident | 84.9 | Confident | 4 Ų | 4 | 61 Ų | 61 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 80.7 | -0.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | C309 W321 F339 P340 | C309-G342 CarbonylContact O-C 3.52Å; C309-G342 WeakPolarHBondContact O-CA 3.19Å; W321-G342 PolarHBondContact NE1-O 2.89Å; F339-G342 PolarHBondContact O-N 3.5Å; P340-G342 PolarHBondContact O-N 3.05Å |
| 343 | S | 90.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 58 Ų | 58 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -80.9 | 140 | 179.4 | -49.3 | 0 | 0 | 0 | 0 | 112 | L307 V338 F339 N341 | L307-S343 CarbonylContact O-C 3.58Å; L307-S343 VanDerWaalsContact O-CA 3.27Å; L307-S343 WeakPolarHBondContact O-CA 3.46Å; L307-S343 WeakPolarHBondContact O-CB 3.42Å; V338-S343 WeakPolarHBondContact CA-O 3.19Å; F339-S343 PolarHBondContact N-O 3.44Å; N341-S343 VanDerWaalsContact C-N 3.33Å; N341-S343 PolarHBondContact O-N 2.97Å; N341-S343 WeakPolarHBondContact OD1-CB 3.42Å; N341-S343 PolarHBondContact OD1-N 3.21Å; N341-S343 PolarHBondContact OD1-OG 3.33Å | ||
| 344 | L | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.7 | 171.1 | 166.5 | 62.2 | 0 | 0 | 0 | 109.4 | S306 L307 W321 I329 L337 V338 I346 F357 | S306-L344 CarbonylContact C-O 3.34Å; S306-L344 WeakPolarHBondContact CA-O 3.49Å; L307-L344 HydrophobicContact CB-CB 4.41Å; L307-L344 HydrophobicContact CD1-CD2 4.34Å; L307-L344 PolarHBondContact N-O 3.34Å; L307-L344 PolarHBondContact O-N 2.76Å; W321-L344 HydrophobicContact CB-CD2 3.99Å; W321-L344 HydrophobicContact CD2-CB 3.81Å; W321-L344 HydrophobicContact CD2-CD2 3.95Å; W321-L344 HydrophobicContact CE3-CD2 4.13Å; W321-L344 HydrophobicContact CG-CB 3.89Å; W321-L344 HydrophobicContact CG-CD2 3.92Å; W321-L344 HydrophobicContact CG-CG 4.48Å; W321-L344 HydrophobicContact CZ2-CB 4.14Å; I329-L344 HydrophobicContact CD1-CD2 3.62Å; I329-L344 HydrophobicContact CG2-CD1 3.98Å; L337-L344 WeakPolarHBondContact O-CA 3.45Å; V338-L344 HydrophobicContact CG2-CD1 4.03Å; L344-I346 HydrophobicContact CG-CG1 4.35Å; L344-F357 HydrophobicContact CD2-CD1 3.86Å; L344-F357 HydrophobicContact CD2-CE1 4.07Å |
| 345 | E | 91.8 | Very high | 88.7 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 135.2 | 169.8 | -173.6 | 165.7 | -145.6 | 0 | 0 | 110.5 | A305 T336 L337 F339 | A305-E345 CarbonylContact O-C 3.16Å; A305-E345 WeakPolarHBondContact O-CA 3.49Å; T336-E345 CarbonylContact C-O 3.47Å; T336-E345 VanDerWaalsContact CA-O 3.32Å; T336-E345 WeakPolarHBondContact CA-O 3.5Å; L337-E345 PolarHBondContact N-O 2.9Å; L337-E345 PolarHBondContact O-N 3.03Å; F339-E345 HydrophobicContact CD2-CB 4.44Å; F339-E345 HydrophobicContact CE2-CB 3.74Å; F339-E345 VanDerWaalsContact CE2-OE2 3.26Å; F339-E345 WeakPolarHBondContact CE2-OE2 3.43Å; F339-E345 WeakPolarHBondContact CZ-OE2 3.48Å |
| 346 | I | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 106.1 | 174.8 | -54.3 | 177.2 | 0 | 0 | 0 | 105.9 | P304 A305 R335 T336 L344 V348 T349 F357 L374 | P304-I346 CarbonylContact C-O 3.34Å; P304-I346 WeakPolarHBondContact CA-O 3.5Å; A305-I346 PolarHBondContact N-O 3.17Å; A305-I346 PolarHBondContact O-N 3.17Å; R335-I346 CarbonylContact O-C 3.14Å; R335-I346 WeakPolarHBondContact O-CA 3.38Å; T336-I346 HydrophobicContact CG2-CG1 4.36Å; L344-I346 HydrophobicContact CG-CG1 4.35Å; I346-V348 VanDerWaalsContact C-N 3.29Å; I346-V348 PolarHBondContact O-N 3.28Å; I346-T349 HydrophobicContact CB-CG2 4.26Å; I346-T349 HydrophobicContact CG2-CG2 3.96Å; I346-F357 HydrophobicContact CD1-CE1 4.15Å; I346-F357 HydrophobicContact CD1-CE2 4.49Å; I346-F357 HydrophobicContact CD1-CZ 3.8Å; I346-L374 HydrophobicContact CD1-CD2 3.76Å |
| 347 | N | 90.1 | Very high | 89.4 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -64.3 | -34.2 | -171.6 | -66.8 | -18.7 | 0 | 0 | 0 | 112.9 | S334 R335 | S334-N347 PolarHBondContact O-ND2 3.22Å; R335-N347 PolarHBondContact O-N 3.02Å |
| 348 | V | 89.9 | Confident | 89.7 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -139.1 | 107.3 | 179.7 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | R335 I346 | R335-V348 PolarHBondContact NH1-O 2.92Å; I346-V348 VanDerWaalsContact C-N 3.29Å; I346-V348 PolarHBondContact O-N 3.28Å |
| 349 | T | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | trans | -80.8 | 145.4 | 175 | 53 | 0 | 0 | 0 | 0 | 112.3 | A299 M300 G302 Q303 A305 I346 V376 | A299-T349 HydrophobicContact CB-CG2 4.14Å; M300-T349 PolarHBondContact O-OG1 3.07Å; G302-T349 PolarHBondContact N-O 2.74Å; Q303-T349 PolarHBondContact O-N 2.98Å; Q303-T349 VanDerWaalsContact O-N 3.1Å; Q303-T349 PolarHBondContact O-OG1 2.54Å; A305-T349 HydrophobicContact CB-CG2 3.55Å; I346-T349 HydrophobicContact CB-CG2 4.26Å; I346-T349 HydrophobicContact CG2-CG2 3.96Å; T349-V376 HydrophobicContact CG2-CG2 4.41Å | ||
| 350 | S | 90.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | trans | -124.2 | 160 | 173 | 70.8 | 0 | 0 | 0 | 0 | 110.1 | K352 D353 | S350-K352 PolarHBondContact O-N 3.4Å; S350-D353 WeakPolarHBondContact CA-OD2 3.39Å; S350-D353 WeakPolarHBondContact CB-OD2 3.47Å; S350-D353 PolarHBondContact N-OD2 2.99Å; S350-D353 WeakPolarHBondContact O-CB 3.46Å; S350-D353 PolarHBondContact O-N 2.82Å; S350-D353 PolarHBondContact OG-OD2 3.45Å | ||
| 351 | L | 89 | Confident | 90.7 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 46% | 0.461 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -57.5 | -21.1 | 176.7 | -62.3 | 174.9 | 0 | 0 | 0 | 113.9 | D353 S354 V376 A378 | L351-D353 VanDerWaalsContact C-N 3.35Å; L351-S354 WeakPolarHBondContact O-CB 3.42Å; L351-V376 HydrophobicContact CD2-CG1 4.34Å; L351-V376 WeakPolarHBondContact CD2-O 3.4Å; L351-A378 HydrophobicContact CD1-CB 4.44Å; L351-A378 HydrophobicContact CD2-CB 4.21Å |
| 352 | K | 88.5 | Confident | 91.1 | Very high | 175 Ų | 175 | 37.4 Ų | 37.4 | 76% | 0.761 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -74.4 | -22.6 | 176.1 | -65 | -177.8 | 176.2 | 178.2 | 0 | 113.7 | S350 S354 | S350-K352 PolarHBondContact O-N 3.4Å; K352-S354 PolarHBondContact O-N 3.46Å |
| 353 | D | 89.2 | Confident | 91.5 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -76.2 | -6.7 | 177.5 | -59 | -69.9 | 0 | 0 | 0 | 112.7 | R335 S350 L351 G355 F357 L374 V376 | R335-D353 IonicContact CZ-OD1 3.04Å; R335-D353 IonicContact CZ-OD2 3.03Å; R335-D353 IonicContact NH1-OD1 3.51Å; R335-D353 PolarHBondContact NH1-OD1 2.79Å; R335-D353 IonicContact NH1-OD2 3.63Å; R335-D353 PolarHBondContact NH1-OD2 2.94Å; R335-D353 IonicContact NH2-OD1 2.91Å; R335-D353 PolarHBondContact NH2-OD1 3.33Å; R335-D353 IonicContact NH2-OD2 2.71Å; S350-D353 WeakPolarHBondContact CA-OD2 3.39Å; S350-D353 WeakPolarHBondContact CB-OD2 3.47Å; S350-D353 PolarHBondContact N-OD2 2.99Å; S350-D353 WeakPolarHBondContact O-CB 3.46Å; S350-D353 PolarHBondContact O-N 2.82Å; S350-D353 PolarHBondContact OG-OD2 3.45Å; L351-D353 VanDerWaalsContact C-N 3.35Å; D353-G355 PolarHBondContact O-N 2.82Å; D353-F357 VanDerWaalsContact O-CE2 3.31Å; D353-F357 WeakPolarHBondContact O-CE2 3.26Å; D353-L374 HydrophobicContact CB-CD2 4.23Å; D353-V376 HydrophobicContact CB-CG2 4.23Å |
| 354 | S | 92.5 | Very high | 91.4 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | trans | -69.3 | 117.6 | 179.7 | -158.2 | 0 | 0 | 0 | 0 | 110.3 | L351 K352 L374 V375 V376 | L351-S354 WeakPolarHBondContact O-CB 3.42Å; K352-S354 PolarHBondContact O-N 3.46Å; S354-L374 CarbonylContact C-O 3.6Å; S354-L374 VanDerWaalsContact CA-O 3.29Å; S354-L374 WeakPolarHBondContact CA-O 3.42Å; S354-L374 PolarHBondContact OG-O 2.99Å; S354-V375 WeakPolarHBondContact OG-CA 3.5Å; S354-V376 PolarHBondContact OG-N 2.72Å | ||
| 355 | G | 91.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -170 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D353 L374 | D353-G355 PolarHBondContact O-N 2.82Å; G355-L374 PolarHBondContact N-O 3.12Å; G355-L374 PolarHBondContact O-N 3.49Å |
| 356 | N | 92.7 | Very high | 91.2 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 107.1 | -178.6 | -75.1 | -46.7 | 0 | 0 | 0 | 111.5 | ||
| 357 | F | 92.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.022 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 144.4 | 165.4 | -70.8 | -102.2 | 0 | 0 | 0 | 109.4 | L307 W321 I322 P324 I329 L344 I346 D353 R371 V372 L374 | L307-F357 HydrophobicContact CD1-CB 3.82Å; L307-F357 HydrophobicContact CD1-CD1 4.05Å; L307-F357 HydrophobicContact CD1-CD2 3.65Å; L307-F357 HydrophobicContact CD1-CE2 4.23Å; L307-F357 HydrophobicContact CD1-CG 3.55Å; W321-F357 HydrophobicContact CE3-CB 4Å; W321-F357 HydrophobicContact CZ3-CB 3.98Å; I322-F357 WeakPolarHBondContact O-CA 3.18Å; P324-F357 HydrophobicContact CG-CD2 4.07Å; P324-F357 HydrophobicContact CG-CE2 3.82Å; P324-F357 HydrophobicContact CG-CZ 4.18Å; I329-F357 HydrophobicContact CD1-CD1 3.83Å; I329-F357 HydrophobicContact CD1-CE1 3.68Å; L344-F357 HydrophobicContact CD2-CD1 3.86Å; L344-F357 HydrophobicContact CD2-CE1 4.07Å; I346-F357 HydrophobicContact CD1-CE1 4.15Å; I346-F357 HydrophobicContact CD1-CE2 4.49Å; I346-F357 HydrophobicContact CD1-CZ 3.8Å; D353-F357 VanDerWaalsContact O-CE2 3.31Å; D353-F357 WeakPolarHBondContact O-CE2 3.26Å; F357-R371 CarbonylContact O-C 3.54Å; F357-R371 WeakPolarHBondContact O-CA 3.07Å; F357-V372 PolarHBondContact N-O 3.01Å; F357-V372 PolarHBondContact O-N 2.87Å; F357-L374 HydrophobicContact CD2-CB 3.96Å; F357-L374 HydrophobicContact CE2-CB 3.81Å; F357-L374 HydrophobicContact CE2-CD2 3.72Å; F357-L374 HydrophobicContact CE2-CG 4.39Å; F357-L374 HydrophobicContact CZ-CD2 4.22Å |
| 358 | T | 92.6 | Very high | 91 | Very high | 36 Ų | 36 | 45.4 Ų | 45.4 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.5 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 109 | W321 I322 I360 G370 | W321-T358 WeakPolarHBondContact CA-O 3.2Å; I322-T358 PolarHBondContact N-O 2.87Å; I322-T358 PolarHBondContact O-N 3.06Å; T358-I360 HydrophobicContact CG2-CG1 4.35Å; T358-G370 CarbonylContact C-O 3.52Å; T358-G370 WeakPolarHBondContact CA-O 3.42Å |
| 359 | C | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 140.2 | 163.8 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | C309 V319 H320 W321 T369 G370 | C309-C359 HydrophobicContact CB-CB 3.46Å; C309-C359 VanDerWaalsContact CB-CB 3.46Å; C309-C359 WeakPolarHBondContact CB-SG 3.09Å; C309-C359 WeakPolarHBondContact SG-CB 3.17Å; C309-C359 CovalentContact SG-SG 2.04Å; C309-C359 PolarHBondContact SG-SG 2.68Å; V319-C359 HydrophobicContact CG1-CB 4.4Å; H320-C359 CarbonylContact O-C 3.57Å; H320-C359 WeakPolarHBondContact O-CA 3.32Å; W321-C359 HydrophobicContact CD2-CB 3.91Å; W321-C359 HydrophobicContact CE3-CB 3.85Å; W321-C359 HydrophobicContact CH2-CB 3.95Å; W321-C359 HydrophobicContact CZ2-CB 3.97Å; W321-C359 HydrophobicContact CZ3-CB 3.87Å; C359-T369 WeakPolarHBondContact O-CA 3.26Å; C359-G370 PolarHBondContact N-O 3.25Å; C359-G370 PolarHBondContact O-N 2.8Å |
| 360 | I | 92 | Very high | 91 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.2 | 173.3 | -56.2 | -171.7 | 0 | 0 | 0 | 106.2 | V319 H320 I322 T358 T369 | V319-I360 WeakPolarHBondContact CA-O 3.41Å; H320-I360 PolarHBondContact N-O 3.02Å; H320-I360 PolarHBondContact O-N 2.99Å; I322-I360 HydrophobicContact CD1-CD1 3.55Å; I322-I360 HydrophobicContact CD1-CG1 4.41Å; I322-I360 HydrophobicContact CG1-CD1 4.26Å; T358-I360 HydrophobicContact CG2-CG1 4.35Å; I360-T369 HydrophobicContact CB-CG2 4.44Å; I360-T369 HydrophobicContact CD1-CG2 4.4Å; I360-T369 HydrophobicContact CG1-CG2 3.94Å; I360-T369 HydrophobicContact CG2-CG2 4.24Å |
| 361 | A | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P288 L290 A311 P317 E318 V319 E367 S368 | P288-A361 HydrophobicContact CB-CB 4.07Å; P288-A361 VanDerWaalsContact CG-O 3.24Å; P288-A361 WeakPolarHBondContact CG-O 3.34Å; L290-A361 HydrophobicContact CD2-CB 3.79Å; A311-A361 HydrophobicContact CB-CB 3.36Å; P317-A361 HydrophobicContact CB-CB 4.35Å; E318-A361 CarbonylContact O-C 3.52Å; E318-A361 VanDerWaalsContact O-CA 3.27Å; E318-A361 WeakPolarHBondContact O-CA 3.39Å; V319-A361 HydrophobicContact CG2-CB 4.27Å; A361-E367 CarbonylContact O-C 3.07Å; A361-E367 VanDerWaalsContact O-CA 3.32Å; A361-E367 WeakPolarHBondContact O-CA 3.42Å; A361-S368 PolarHBondContact N-O 2.91Å; A361-S368 PolarHBondContact O-N 2.74Å |
| 362 | S | 92.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 47.4 Ų | 47.4 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.6 | -174.8 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | P317 E318 G366 | P317-S362 CarbonylContact C-O 3.57Å; P317-S362 WeakPolarHBondContact CA-O 3.46Å; P317-S362 VanDerWaalsContact CB-O 3.31Å; P317-S362 WeakPolarHBondContact CB-O 3.38Å; E318-S362 PolarHBondContact N-O 2.66Å; E318-S362 PolarHBondContact O-N 3.29Å; S362-G366 WeakPolarHBondContact CA-O 3.45Å |
| 363 | N | 94.2 | Very high | 91.4 | Very high | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -174.9 | 168.4 | 77.1 | 7 | 0 | 0 | 0 | 110.9 | D286 P288 D314 P315 P317 A365 G366 | D286-N363 PolarHBondContact O-ND2 2.91Å; P288-N363 WeakPolarHBondContact CD-OD1 3.28Å; D314-N363 PolarHBondContact O-ND2 2.84Å; P315-N363 PolarHBondContact O-ND2 3.04Å; P317-N363 HydrophobicContact CB-CB 4.11Å; N363-A365 PolarHBondContact O-N 3.1Å; N363-A365 VanDerWaalsContact O-N 3.13Å; N363-A365 WeakPolarHBondContact OD1-CA 3.11Å; N363-A365 WeakPolarHBondContact OD1-CB 3.36Å; N363-A365 PolarHBondContact OD1-N 3.02Å; N363-G366 PolarHBondContact N-O 2.89Å; N363-G366 PolarHBondContact O-N 3.24Å; N363-G366 PolarHBondContact OD1-N 2.96Å |
| 364 | A | 89.1 | Confident | 91.6 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E248 P315 | E248-A364 HydrophobicContact CG-CB 4.01Å; P315-A364 HydrophobicContact CG-CB 4.13Å |
| 365 | A | 90 | Very high | 91.7 | Very high | 45 Ų | 45 | 42 Ų | 42 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C285 P287 N363 | C285-A365 HydrophobicContact CB-CB 3.78Å; P287-A365 HydrophobicContact CB-CB 4.16Å; N363-A365 PolarHBondContact O-N 3.1Å; N363-A365 VanDerWaalsContact O-N 3.13Å; N363-A365 WeakPolarHBondContact OD1-CA 3.11Å; N363-A365 WeakPolarHBondContact OD1-CB 3.36Å; N363-A365 PolarHBondContact OD1-N 3.02Å |
| 366 | G | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.9 | -159 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P288 S362 N363 | P288-G366 VanDerWaalsContact CD-O 3.28Å; P288-G366 WeakPolarHBondContact CD-O 3.18Å; P288-G366 WeakPolarHBondContact CG-O 3.27Å; S362-G366 WeakPolarHBondContact CA-O 3.45Å; N363-G366 PolarHBondContact N-O 2.89Å; N363-G366 PolarHBondContact O-N 3.24Å; N363-G366 PolarHBondContact OD1-N 2.96Å |
| 367 | E | 89.6 | Confident | 91.6 | Very high | 123 Ų | 123 | 40.3 Ų | 40.3 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.4 | -175.8 | -56.4 | -170.2 | 159.7 | 0 | 0 | 112.3 | A361 Y461 | A361-E367 CarbonylContact O-C 3.07Å; A361-E367 VanDerWaalsContact O-CA 3.32Å; A361-E367 WeakPolarHBondContact O-CA 3.42Å; E367-Y461 PolarHBondContact O-OH 3.2Å |
| 368 | S | 89.1 | Confident | 91.4 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.7 | 176.7 | -165.5 | 0 | 0 | 0 | 0 | 110 | P288 A361 | P288-S368 WeakPolarHBondContact O-CB 3.45Å; P288-S368 PolarHBondContact O-OG 2.88Å; A361-S368 PolarHBondContact N-O 2.91Å; A361-S368 PolarHBondContact O-N 2.74Å |
| 369 | T | 92.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.2 | -171.9 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | C359 I360 | C359-T369 WeakPolarHBondContact O-CA 3.26Å; I360-T369 HydrophobicContact CB-CG2 4.44Å; I360-T369 HydrophobicContact CD1-CG2 4.4Å; I360-T369 HydrophobicContact CG1-CG2 3.94Å; I360-T369 HydrophobicContact CG2-CG2 4.24Å |
| 370 | G | 88.5 | Confident | 89.1 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 129.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L290 T358 C359 | L290-G370 VanDerWaalsContact CD1-CA 3.46Å; T358-G370 CarbonylContact C-O 3.52Å; T358-G370 WeakPolarHBondContact CA-O 3.42Å; C359-G370 PolarHBondContact N-O 3.25Å; C359-G370 PolarHBondContact O-N 2.8Å |
| 371 | R | 91.4 | Very high | 87.2 | Confident | 168 Ų | 168 | 57.4 Ų | 57.4 | 63% | 0.634 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 143.8 | 174.6 | -64.6 | -172.2 | -61.9 | -84 | 0.5 | 111.8 | K293 F357 | K293-R371 PolarHBondContact NZ-O 2.92Å; F357-R371 CarbonylContact O-C 3.54Å; F357-R371 WeakPolarHBondContact O-CA 3.07Å |
| 372 | V | 91.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.5 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | K293 S294 L307 W321 F357 | K293-V372 HydrophobicContact CB-CG2 4.49Å; S294-V372 WeakPolarHBondContact O-CG1 3.44Å; S294-V372 VanDerWaalsContact O-CG2 3.23Å; S294-V372 WeakPolarHBondContact O-CG2 3.39Å; S294-V372 VanDerWaalsContact OG-CG1 3.22Å; S294-V372 WeakPolarHBondContact OG-CG1 3.44Å; L307-V372 HydrophobicContact CB-CG1 4.22Å; L307-V372 HydrophobicContact CD1-CG1 4.14Å; L307-V372 HydrophobicContact CD2-CG1 3.86Å; L307-V372 HydrophobicContact CG-CG1 4.3Å; W321-V372 HydrophobicContact CH2-CB 4.42Å; W321-V372 HydrophobicContact CH2-CG2 3.85Å; W321-V372 HydrophobicContact CZ3-CB 4.13Å; W321-V372 HydrophobicContact CZ3-CG2 3.89Å; F357-V372 PolarHBondContact N-O 3.01Å; F357-V372 PolarHBondContact O-N 2.87Å |
| 373 | E | 93.1 | Very high | 82.4 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 38% | 0.379 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.9 | 175.8 | -171.6 | 178.1 | -145.3 | 0 | 0 | 110.5 | P295 H296 T297 V375 | P295-E373 PolarHBondContact O-N 2.94Å; H296-E373 CarbonylContact C-O 3.55Å; H296-E373 WeakPolarHBondContact CA-O 3.34Å; H296-E373 IonicContact CE1-OE2 3.25Å; H296-E373 PolarHBondContact CE1-OE2 3.1Å; H296-E373 IonicContact CG-OE2 3.27Å; H296-E373 IonicContact ND1-OE2 3.64Å; H296-E373 PolarHBondContact ND1-OE2 2.96Å; T297-E373 PolarHBondContact N-O 3.31Å; E373-V375 HydrophobicContact CG-CG2 4.25Å |
| 374 | L | 94.1 | Very high | 79.6 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.8 | 167.2 | 177.4 | 61.4 | 0 | 0 | 0 | 109 | T297 A299 A305 L307 I346 D353 S354 G355 F357 V376 | T297-L374 HydrophobicContact CG2-CD1 4.04Å; T297-L374 WeakPolarHBondContact O-CA 3.42Å; A299-L374 HydrophobicContact CB-CD1 4.35Å; A305-L374 HydrophobicContact CB-CD1 4.08Å; L307-L374 HydrophobicContact CD2-CB 4.4Å; L307-L374 HydrophobicContact CD2-CD1 4.31Å; I346-L374 HydrophobicContact CD1-CD2 3.76Å; D353-L374 HydrophobicContact CB-CD2 4.23Å; S354-L374 CarbonylContact C-O 3.6Å; S354-L374 VanDerWaalsContact CA-O 3.29Å; S354-L374 WeakPolarHBondContact CA-O 3.42Å; S354-L374 PolarHBondContact OG-O 2.99Å; G355-L374 PolarHBondContact N-O 3.12Å; G355-L374 PolarHBondContact O-N 3.49Å; F357-L374 HydrophobicContact CD2-CB 3.96Å; F357-L374 HydrophobicContact CE2-CB 3.81Å; F357-L374 HydrophobicContact CE2-CD2 3.72Å; F357-L374 HydrophobicContact CE2-CG 4.39Å; F357-L374 HydrophobicContact CZ-CD2 4.22Å; L374-V376 HydrophobicContact CD2-CG2 4.18Å; L374-V376 HydrophobicContact CG-CG2 4.05Å |
| 375 | V | 93.2 | Very high | 77.2 | Confident | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.255 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.6 | 171.4 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | H296 T297 V298 A299 S354 E373 T377 | H296-V375 VanDerWaalsContact CE1-CG2 3.5Å; H296-V375 WeakPolarHBondContact CE1-CG2 3.32Å; T297-V375 PolarHBondContact O-N 2.85Å; V298-V375 WeakPolarHBondContact CA-O 3.35Å; V298-V375 HydrophobicContact CG2-CB 4.48Å; A299-V375 PolarHBondContact N-O 3.32Å; S354-V375 WeakPolarHBondContact OG-CA 3.5Å; E373-V375 HydrophobicContact CG-CG2 4.25Å; V375-T377 HydrophobicContact CG1-CG2 4.34Å |
| 376 | V | 92.9 | Very high | 74.7 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 6% | 0.061 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 117.3 | 176.2 | -171.6 | 0 | 0 | 0 | 0 | 109.9 | A299 E301 T349 L351 D353 S354 L374 | A299-V376 CarbonylContact O-C 3.48Å; A299-V376 VanDerWaalsContact O-CA 3.32Å; A299-V376 WeakPolarHBondContact O-CA 3.18Å; E301-V376 HydrophobicContact CB-CG1 4.27Å; T349-V376 HydrophobicContact CG2-CG2 4.41Å; L351-V376 HydrophobicContact CD2-CG1 4.34Å; L351-V376 WeakPolarHBondContact CD2-O 3.4Å; D353-V376 HydrophobicContact CB-CG2 4.23Å; S354-V376 PolarHBondContact OG-N 2.72Å; L374-V376 HydrophobicContact CD2-CG2 4.18Å; L374-V376 HydrophobicContact CG-CG2 4.05Å |
| 377 | T | 90.8 | Very high | 72.1 | Confident | 58 Ų | 58 | 85.7 Ų | 85.7 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.9 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | V298 A299 M300 E301 V375 | V298-T377 HydrophobicContact CG1-CG2 4.24Å; A299-T377 PolarHBondContact O-N 3.35Å; A299-T377 PolarHBondContact O-OG1 2.99Å; M300-T377 CarbonylContact C-O 3.58Å; M300-T377 WeakPolarHBondContact CA-O 3.32Å; E301-T377 PolarHBondContact N-O 2.78Å; V375-T377 HydrophobicContact CG1-CG2 4.34Å |
| 378 | A | 86.6 | Confident | 69.4 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 149.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L351 | L351-A378 HydrophobicContact CD1-CB 4.44Å; L351-A378 HydrophobicContact CD2-CB 4.21Å |
| 379 | V | 76.5 | Confident | 66.7 | Low | 79 Ų | 79 | 96.2 Ų | 96.2 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 127.6 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | H381 | V379-H381 PolarHBondContact O-N 2.96Š|
| 380 | P | 61.5 | Low | 63.8 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 71% | 0.708 | 57% | 0.565 | S | S | * | * | trans | -68.5 | 108.9 | 177.4 | 26.7 | -33.1 | 0 | 0 | 0 | 110.3 | L382 | P380-L382 PolarHBondContact O-N 2.74Š| ||
| 381 | H | 51.5 | Low | 60.9 | Low | 186 Ų | 186 | 111 Ų | 111 | 86% | 0.861 | 60% | 0.6 | S | S | * | * | trans | -64.7 | 117.2 | 170 | -82.8 | -87.4 | 0 | 0 | 0 | 110 | V379 A383 | V379-H381 PolarHBondContact O-N 2.96Å; H381-A383 PolarHBondContact O-N 2.86Å | ||
| 382 | L | 45.6 | Very low | 58.6 | Low | 164 Ų | 164 | 107.9 Ų | 107.9 | 86% | 0.859 | 60% | 0.601 | S | S | * | * | trans | -67.2 | 99.6 | 171.6 | -167.8 | 75.5 | 0 | 0 | 0 | 109 | P380 N384 | P380-L382 PolarHBondContact O-N 2.74Å; L382-N384 PolarHBondContact O-N 3.47Å | ||
| 383 | A | 39.4 | Very low | 55.6 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | trans | -65.8 | 117.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H381 S385 | H381-A383 PolarHBondContact O-N 2.86Å; A383-S385 PolarHBondContact O-N 3.3Å | ||
| 384 | N | 35.6 | Very low | 52.6 | Low | 153 Ų | 153 | 115 Ų | 115 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -61 | 118.2 | 177.5 | -95 | -22 | 0 | 0 | 0 | 111 | L382 T386 | L382-N384 PolarHBondContact O-N 3.47Å; N384-T386 PolarHBondContact O-N 3.29Å | ||
| 385 | S | 38.3 | Very low | 49.5 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | -75.8 | 98 | 178.1 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | A383 | A383-S385 PolarHBondContact O-N 3.3Š| ||
| 386 | T | 36.8 | Very low | 46.9 | Very low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -159.9 | 101 | 156 | 38.4 | 0 | 0 | 0 | 0 | 112.9 | N384 | N384-T386 PolarHBondContact O-N 3.29Š| ||
| 387 | S | 34.9 | Very low | 43.8 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | -169.3 | 129.6 | 128.4 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 388 | R | 33.1 | Very low | 42 | Very low | 252 Ų | 252 | 134 Ų | 134 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | trans | -91 | 134 | 174.5 | -73.5 | 169.2 | 164.3 | 165.8 | -6.8 | 109.8 | ||||
| 389 | S | 32.9 | Very low | 39.2 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -159.3 | 99.4 | 148.5 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 390 | R | 30.6 | Very low | 36.8 | Very low | 243 Ų | 243 | 138.9 Ų | 138.9 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 34 | 105 | 132.6 | -67.2 | 178 | 172.5 | 169.6 | -3 | 119.2 | ||||
| 391 | D | 29.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 16.7 | 157.2 | 112.2 | -114.7 | 1.4 | 0 | 0 | 0 | 120.2 | |||||
| 392 | P | 42.8 | Very low | 34.3 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | cis | -143.5 | -176.5 | 7.5 | 40.3 | -19.7 | 0 | 0 | 0 | 118.3 | ||||
| 393 | S | 28.7 | Very low | 33.5 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 86.2 | 109.6 | 150.1 | 73.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 394 | S | 29.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | 172.2 | 133.4 | 108.2 | 40.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 395 | E | 28.5 | Very low | 32.4 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -93 | 177 | 165.5 | -84.5 | -168.3 | 158.2 | 0 | 0 | 110 | ||||
| 396 | P | 40 | Very low | 31.9 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | cis | -136.8 | -169.6 | -42.4 | 38.7 | -22 | 0 | 0 | 0 | 112.6 | ||||
| 397 | A | 27.3 | Very low | 31.3 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 88.9 | 152.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 398 | P | 52.1 | Low | 30.9 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -118.2 | 154.5 | -158.8 | 40.6 | -27.4 | 0 | 0 | 0 | 115 | ||||
| 399 | S | 28.9 | Very low | 30.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | 177.1 | 151.4 | 167 | 26.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 400 | D | 26.2 | Very low | 30.3 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | cis | -171.6 | 171.4 | -0.1 | -121 | -28.2 | 0 | 0 | 0 | 112.1 | ||||
| 401 | I | 28.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | trans | 60.1 | 117.1 | 140.8 | -64 | 160.6 | 0 | 0 | 0 | 116.6 | ||||
| 402 | L | 32.4 | Very low | 29.9 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | -154.4 | 121.6 | 75.8 | -88.5 | 167 | 0 | 0 | 0 | 115.1 | |||||
| 403 | T | 26.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 34.1 | 119.2 | 133.5 | 57.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 404 | S | 24.7 | Very low | 29.4 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | 84.5 | 111.2 | 56.1 | -166.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 405 | S | 27.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | 65.3 | 116 | 136.1 | 67 | 0 | 0 | 0 | 0 | 123 | ||||
| 406 | K | 27.2 | Very low | 29.6 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | -165.2 | 113 | 119.2 | -111.4 | 170.1 | 173.9 | 174.4 | 0 | 108.3 | |||||
| 407 | V | 25.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | 55.5 | 103.4 | 78.7 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 408 | A | 26.6 | Very low | 30 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -161 | 142.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 409 | M | 25.5 | Very low | 30.1 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -116.1 | 142.3 | -178.1 | -108.5 | -81.2 | 177.4 | 0 | 0 | 109.8 | ||||
| 410 | L | 26.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | 70.6 | 149.4 | 144.9 | -140.2 | 77 | 0 | 0 | 0 | 120.6 | ||||
| 411 | N | 27.1 | Very low | 34.7 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | trans | 73.8 | 141.9 | 163.8 | -62.9 | -18 | 0 | 0 | 0 | 117.5 | ||||
| 412 | N | 26.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | cis | -152.2 | 155.4 | -3.4 | -145.6 | 23.4 | 0 | 0 | 0 | 114.5 | ||||
| 413 | E | 28.2 | Very low | 39.8 | Very low | 147 Ų | 147 | 120 Ų | 120 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | trans | 23.6 | 138.4 | 144.5 | -75.7 | -178.9 | 125.2 | 0 | 0 | 124.9 | ||||
| 414 | T | 31.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | trans | 73.8 | 116.1 | 143 | 60.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 415 | R | 29.5 | Very low | 45.3 | Very low | 247 Ų | 247 | 118.5 Ų | 118.5 | 93% | 0.932 | 64% | 0.641 | S | S | * | * | -162.1 | 148.1 | 105.6 | -103.4 | 168.6 | -177 | -160.7 | -0.7 | 111.1 | A417 | R415-A417 PolarHBondContact O-N 3.25Š| |||
| 416 | G | 33.6 | Very low | 47.9 | Very low | 86 Ų | 86 | 116.4 Ų | 116.4 | 89% | 0.887 | 62% | 0.622 | S | S | * | * | trans | -67 | 127 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 417 | A | 33.2 | Very low | 50.5 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 72% | 0.719 | 60% | 0.595 | S | S | * | * | trans | -89.1 | 130.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | R415 R419 | R415-A417 PolarHBondContact O-N 3.25Å; A417-R419 PolarHBondContact O-N 3.15Å | ||
| 418 | D | 42.3 | Very low | 53 | Low | 115 Ų | 115 | 103.2 Ų | 103.2 | 62% | 0.615 | 56% | 0.561 | S | S | * | * | trans | -59.5 | 96.5 | 174.9 | -174.9 | 21.1 | 0 | 0 | 0 | 109.8 | R420 Q438 | D418-R420 VanDerWaalsContact C-N 3.29Å; D418-R420 PolarHBondContact O-N 3.18Å; D418-Q438 PolarHBondContact OD2-NE2 2.96Å | ||
| 419 | R | 53.4 | Low | 55.7 | Low | 163 Ų | 163 | 102.3 Ų | 102.3 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | trans | -73.1 | 85.7 | -176 | -75.3 | -173.6 | 85 | 164.7 | 7.5 | 109.4 | A417 V421 | A417-R419 PolarHBondContact O-N 3.15Å; R419-V421 PolarHBondContact O-N 3.14Å | ||
| 420 | R | 71.1 | Confident | 58.5 | Low | 112 Ų | 112 | 95.4 Ų | 95.4 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -56 | -15.8 | 172 | -101.6 | 179.3 | -77.1 | 170.3 | -1.8 | 114.3 | D418 W435 S436 L503 | D418-R420 VanDerWaalsContact C-N 3.29Å; D418-R420 PolarHBondContact O-N 3.18Å; R420-W435 CarbonylContact O-C 3.54Å; R420-W435 WeakPolarHBondContact O-CA 3.37Å; R420-W435 WeakPolarHBondContact O-CB 3.43Å; R420-S436 PolarHBondContact O-N 2.81Å; R420-L503 WeakPolarHBondContact CB-O 3.3Å |
| 421 | V | 81.4 | Confident | 61.3 | Low | 3 Ų | 3 | 88.9 Ų | 88.9 | 2% | 0.018 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 135.2 | 172.3 | -162 | 0 | 0 | 0 | 0 | 109.5 | R419 I433 W435 V486 L503 L506 | R419-V421 PolarHBondContact O-N 3.14Å; V421-I433 HydrophobicContact CG1-CG2 3.52Å; V421-W435 HydrophobicContact CB-CB 4.37Å; V421-W435 HydrophobicContact CG1-CB 4.25Å; V421-W435 HydrophobicContact CG2-CB 4.05Å; V421-V486 HydrophobicContact CG1-CG2 3.69Å; V421-V486 HydrophobicContact CG2-CB 4.01Å; V421-V486 HydrophobicContact CG2-CG2 3.99Å; V421-L503 HydrophobicContact CG2-CB 4.46Å; V421-L506 HydrophobicContact CB-CD2 4.06Å; V421-L506 HydrophobicContact CG1-CD2 3.46Å; V421-L506 VanDerWaalsContact CG1-CD2 3.46Å |
| 422 | S | 83.2 | Confident | 64.1 | Low | 48 Ų | 48 | 84.1 Ų | 84.1 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.7 | -171.4 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | I433 R434 | S422-I433 WeakPolarHBondContact O-CA 3.41Å; S422-R434 PolarHBondContact N-O 3.41Å; S422-R434 PolarHBondContact O-N 3.19Å; S422-R434 PolarHBondContact OG-O 3.06Å |
| 423 | L | 83.9 | Confident | 67.2 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.2 | 170.5 | 178.4 | 67.6 | 0 | 0 | 0 | 108.1 | E425 L426 A431 I433 L506 F508 | L423-E425 WeakPolarHBondContact CD1-O 3.47Å; L423-L426 HydrophobicContact CD2-CB 4.3Å; L423-L426 HydrophobicContact CD2-CD2 4.19Å; L423-A431 HydrophobicContact CD1-CB 3.91Å; L423-I433 HydrophobicContact CD1-CD1 3.63Å; L423-L506 HydrophobicContact CB-CD1 4.49Å; L423-F508 HydrophobicContact CD2-CB 3.94Å; L423-F508 HydrophobicContact CD2-CG 4.48Å |
| 424 | V | 84.7 | Confident | 70 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -47.7 | -175 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | L432 R434 | V424-L432 HydrophobicContact CB-CB 4.24Å; V424-L432 HydrophobicContact CB-CD2 4Å; V424-L432 HydrophobicContact CB-CG 4.01Å; V424-L432 HydrophobicContact CG1-CD2 4Å; V424-L432 HydrophobicContact CG2-CG 4.41Å; V424-L432 PolarHBondContact N-O 2.98Å; V424-R434 HydrophobicContact CG2-CB 3.58Å |
| 425 | E | 82.4 | Confident | 72.8 | Confident | 128 Ų | 128 | 71.2 Ų | 71.2 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.7 | 178 | -67.5 | 179.3 | 171 | 0 | 0 | 109.4 | L423 A431 L432 | L423-E425 WeakPolarHBondContact CD1-O 3.47Å; E425-A431 CarbonylContact O-C 3.52Å; E425-A431 WeakPolarHBondContact O-CA 3.46Å; E425-L432 HydrophobicContact CB-CB 4.05Å; E425-L432 PolarHBondContact O-N 2.96Å |
| 426 | L | 83.9 | Confident | 74.8 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 28% | 0.277 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 139.1 | 179.3 | -176.9 | 62.6 | 0 | 0 | 0 | 109.4 | L423 A431 F508 T509 T510 | L423-L426 HydrophobicContact CD2-CB 4.3Å; L423-L426 HydrophobicContact CD2-CD2 4.19Å; L426-A431 HydrophobicContact CD1-CB 3.83Å; L426-F508 HydrophobicContact CD1-CD2 3.58Å; L426-F508 HydrophobicContact CD1-CE2 3.85Å; L426-T509 WeakPolarHBondContact CD2-O 3.47Å; L426-T510 HydrophobicContact CD1-CG2 4.16Å |
| 427 | T | 80.8 | Confident | 76.2 | Confident | 53 Ų | 53 | 60 Ų | 60 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | trans | -134.1 | 179.9 | 171.3 | 68.7 | 0 | 0 | 0 | 0 | 109.2 | N429 S430 | T427-N429 PolarHBondContact O-N 2.88Å; T427-N429 PolarHBondContact OG1-N 3.26Å; T427-N429 PolarHBondContact OG1-OD1 3.2Å; T427-S430 PolarHBondContact N-O 2.72Å; T427-S430 PolarHBondContact OG1-N 3.18Å; T427-S430 PolarHBondContact OG1-O 3.24Å; T427-S430 PolarHBondContact OG1-OG 2.88Å | ||
| 428 | G | 78.3 | Confident | 77.2 | Confident | 12 Ų | 12 | 62 Ų | 62 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -61 | -21.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.4 | A477 A478 D511 | G428-A477 CarbonylContact O-C 3.58Å; G428-A478 WeakPolarHBondContact O-CA 3.28Å; G428-A478 PolarHBondContact O-N 3.46Å; G428-A478 VanDerWaalsContact O-N 3.16Å; G428-D511 WeakPolarHBondContact CA-O 3.32Å |
| 429 | N | 82.3 | Confident | 77.5 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -129.1 | -2 | -171.7 | 64.7 | -1.6 | 0 | 0 | 0 | 115.7 | T427 R474 D475 L476 | T427-N429 PolarHBondContact O-N 2.88Å; T427-N429 PolarHBondContact OG1-N 3.26Å; T427-N429 PolarHBondContact OG1-OD1 3.2Å; N429-R474 CarbonylContact O-C 3.58Å; N429-D475 PolarHBondContact O-N 2.87Å; N429-D475 VanDerWaalsContact O-N 3.07Å; N429-L476 WeakPolarHBondContact CA-O 3.42Å; N429-L476 PolarHBondContact O-N 2.96Å |
| 430 | S | 84.6 | Confident | 77.3 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | trans | -153.6 | 157.1 | -177.4 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | T427 V473 | T427-S430 PolarHBondContact N-O 2.72Å; T427-S430 PolarHBondContact OG1-N 3.18Å; T427-S430 PolarHBondContact OG1-O 3.24Å; T427-S430 PolarHBondContact OG1-OG 2.88Å; S430-V473 CarbonylContact C-O 3.13Å; S430-V473 WeakPolarHBondContact CA-O 3.21Å; S430-V473 VanDerWaalsContact CB-O 3.29Å; S430-V473 WeakPolarHBondContact CB-O 3.35Å | ||
| 431 | A | 86.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 125.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L423 E425 L426 I433 V473 L476 F508 | L423-A431 HydrophobicContact CD1-CB 3.91Å; E425-A431 CarbonylContact O-C 3.52Å; E425-A431 WeakPolarHBondContact O-CA 3.46Å; L426-A431 HydrophobicContact CD1-CB 3.83Å; A431-I433 HydrophobicContact CB-CD1 4.42Å; A431-V473 HydrophobicContact CB-CB 4.44Å; A431-V473 PolarHBondContact N-O 2.98Å; A431-V473 PolarHBondContact O-N 2.96Å; A431-L476 HydrophobicContact CB-CD1 3.82Å; A431-F508 HydrophobicContact CB-CD2 4.19Å; A431-F508 HydrophobicContact CB-CE2 3.41Å; A431-F508 VanDerWaalsContact CB-CE2 3.41Å; A431-F508 HydrophobicContact CB-CZ 3.72Å |
| 432 | L | 86.4 | Confident | 75.2 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 119.6 | 177.2 | -178.4 | 62.2 | 0 | 0 | 0 | 110.2 | V424 E425 L472 | V424-L432 HydrophobicContact CB-CB 4.24Å; V424-L432 HydrophobicContact CB-CD2 4Å; V424-L432 HydrophobicContact CB-CG 4.01Å; V424-L432 HydrophobicContact CG1-CD2 4Å; V424-L432 HydrophobicContact CG2-CG 4.41Å; V424-L432 PolarHBondContact N-O 2.98Å; E425-L432 HydrophobicContact CB-CB 4.05Å; E425-L432 PolarHBondContact O-N 2.96Å; L432-L472 HydrophobicContact CB-CD1 4.13Å; L432-L472 HydrophobicContact CD1-CB 4.12Å; L432-L472 HydrophobicContact CD1-CD1 4.43Å |
| 433 | I | 90.5 | Very high | 74.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.4 | -177 | -50.7 | -57.6 | 0 | 0 | 0 | 109.8 | V421 S422 L423 A431 W435 D470 F471 V473 L484 L506 | V421-I433 HydrophobicContact CG1-CG2 3.52Å; S422-I433 WeakPolarHBondContact O-CA 3.41Å; L423-I433 HydrophobicContact CD1-CD1 3.63Å; A431-I433 HydrophobicContact CB-CD1 4.42Å; I433-W435 HydrophobicContact CG2-CE3 4.43Å; I433-D470 CarbonylContact O-C 3.53Å; I433-D470 WeakPolarHBondContact O-CA 3.35Å; I433-D470 VanDerWaalsContact O-CB 3.28Å; I433-D470 WeakPolarHBondContact O-CB 3.33Å; I433-F471 PolarHBondContact N-O 3.03Å; I433-F471 PolarHBondContact O-N 3.22Å; I433-V473 HydrophobicContact CG1-CG2 4Å; I433-L484 HydrophobicContact CD1-CD1 4.33Å; I433-L484 HydrophobicContact CG1-CD1 3.87Å; I433-L484 HydrophobicContact CG1-CD2 4.49Å; I433-L484 HydrophobicContact CG2-CD2 4.07Å; I433-L506 HydrophobicContact CD1-CD1 4.03Å; I433-L506 HydrophobicContact CD1-CD2 4.2Å; I433-L506 HydrophobicContact CG2-CD2 3.85Å |
| 434 | R | 86.7 | Confident | 73.4 | Confident | 108 Ų | 108 | 62 Ų | 62 | 41% | 0.408 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.3 | 177.5 | -177.2 | 171.5 | -73.3 | 148.4 | -2 | 112 | S422 V424 N469 D470 | S422-R434 PolarHBondContact N-O 3.41Å; S422-R434 PolarHBondContact O-N 3.19Å; S422-R434 PolarHBondContact OG-O 3.06Å; V424-R434 HydrophobicContact CG2-CB 3.58Å; R434-N469 WeakPolarHBondContact CA-O 3.33Å; R434-D470 HydrophobicContact CB-CB 4.05Å; R434-D470 HydrophobicContact CG-CB 4.16Å; R434-D470 IonicContact CZ-OD2 3.9Å; R434-D470 IonicContact NE-OD2 2.69Å; R434-D470 PolarHBondContact NE-OD2 2.71Å; R434-D470 VanDerWaalsContact NE-OD2 3.1Å; R434-D470 IonicContact NH2-OD2 3.32Å; R434-D470 PolarHBondContact NH2-OD2 2.8Å |
| 435 | W | 89.6 | Confident | 72.7 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 3% | 0.034 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 159.9 | 178.3 | 57.3 | 95.3 | 0 | 0 | 0 | 113.5 | R420 V421 I433 F447 V449 I464 T468 N469 F471 V486 L503 | R420-W435 CarbonylContact O-C 3.54Å; R420-W435 WeakPolarHBondContact O-CA 3.37Å; R420-W435 WeakPolarHBondContact O-CB 3.43Å; V421-W435 HydrophobicContact CB-CB 4.37Å; V421-W435 HydrophobicContact CG1-CB 4.25Å; V421-W435 HydrophobicContact CG2-CB 4.05Å; I433-W435 HydrophobicContact CG2-CE3 4.43Å; W435-F447 AromaticContact CE2-CD2 3.94Å; W435-F447 HydrophobicContact CZ2-CB 4.17Å; W435-F447 AromaticContact CZ2-CD2 3.71Å; W435-F447 HydrophobicContact CZ2-CD2 3.71Å; W435-F447 HydrophobicContact CZ2-CE2 4.27Å; W435-F447 AromaticContact CZ2-CG 3.97Å; W435-F447 HydrophobicContact CZ2-CG 3.97Å; W435-F447 AromaticContact NE1-CD1 3.75Å; W435-F447 AromaticContact NE1-CD2 3.58Å; W435-F447 AromaticContact NE1-CE1 3.59Å; W435-F447 AromaticContact NE1-CE2 3.4Å; W435-F447 AromaticContact NE1-CG 3.75Å; W435-F447 AromaticContact NE1-CZ 3.41Å; W435-V449 HydrophobicContact CH2-CG2 4.22Å; W435-V449 HydrophobicContact CZ3-CG2 4.37Å; W435-I464 HydrophobicContact CH2-CG1 4.5Å; W435-I464 HydrophobicContact CH2-CG2 4.08Å; W435-I464 HydrophobicContact CZ2-CG2 4.12Å; W435-T468 WeakPolarHBondContact CZ2-O 3.26Å; W435-N469 VanDerWaalsContact CD2-O 3.29Å; W435-N469 PolarHBondContact N-O 3.06Å; W435-F471 HydrophobicContact CH2-CB 3.91Å; W435-F471 HydrophobicContact CZ3-CB 3.84Å; W435-V486 HydrophobicContact CD2-CG1 4.04Å; W435-V486 HydrophobicContact CE3-CG1 4.36Å; W435-V486 HydrophobicContact CE3-CG2 4.12Å; W435-V486 HydrophobicContact CG-CG1 4.33Å; W435-L503 HydrophobicContact CG-CD2 4.28Å |
| 436 | S | 72.9 | Confident | 72.4 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | trans | -104.3 | 112.5 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | R420 Q438 | R420-S436 PolarHBondContact O-N 2.81Å; S436-Q438 PolarHBondContact O-N 3.32Å; S436-Q438 VanDerWaalsContact O-N 3.14Å | ||
| 437 | S | 62.3 | Low | 72.2 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | trans | -79.2 | 88.6 | 168.3 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | T439 | S437-T439 PolarHBondContact O-N 3.39Š| ||
| 438 | Q | 53.4 | Low | 72.2 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | trans | -74.6 | 110 | 173 | -71.3 | -165 | 26.3 | 0 | 0 | 110.3 | D418 S436 | D418-Q438 PolarHBondContact OD2-NE2 2.96Å; S436-Q438 PolarHBondContact O-N 3.32Å; S436-Q438 VanDerWaalsContact O-N 3.14Å | ||
| 439 | T | 48.8 | Very low | 72.4 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 70 | 133.6 | -178.8 | 69 | 0 | 0 | 0 | 0 | 116.3 | S437 T441 | S437-T439 PolarHBondContact O-N 3.39Å; T439-T441 PolarHBondContact O-N 2.71Å |
| 440 | P | 50.2 | Low | 72.6 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 85% | 0.851 | 32% | 0.321 | S | S | * | . | trans | -72.5 | 95.4 | 175.1 | 30.7 | -33.5 | 0 | 0 | 0 | 109.5 | S442 | P440-S442 PolarHBondContact O-N 2.91Š| ||
| 441 | T | 53.3 | Low | 72.6 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | trans | -75.6 | 113.3 | 171.7 | 37.3 | 0 | 0 | 0 | 0 | 108.9 | T439 G443 M444 | T439-T441 PolarHBondContact O-N 2.71Å; T441-G443 PolarHBondContact O-N 2.96Å; T441-M444 WeakPolarHBondContact OG1-CE 3.37Å | ||
| 442 | S | 53.9 | Low | 72.5 | Confident | 133 Ų | 133 | 59.6 Ų | 59.6 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 128.1 | 178.1 | -165.1 | 0 | 0 | 0 | 0 | 110 | P440 | P440-S442 PolarHBondContact O-N 2.91Š|
| 443 | G | 61.5 | Low | 72.3 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.1 | 3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | T441 F490 D491 | T441-G443 PolarHBondContact O-N 2.96Å; G443-F490 WeakPolarHBondContact O-CA 3.22Å; G443-D491 PolarHBondContact O-N 2.99Å |
| 444 | M | 68.3 | Low | 71.6 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 18% | 0.177 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.1 | 173.1 | -169 | -174.6 | -59.8 | 0 | 0 | 111.6 | T441 F447 A488 F490 | T441-M444 WeakPolarHBondContact OG1-CE 3.37Å; M444-F447 HydrophobicContact CE-CE1 4.43Å; M444-F447 HydrophobicContact SD-CD1 4.23Å; M444-F447 HydrophobicContact SD-CE1 3.52Å; M444-F447 VanDerWaalsContact SD-CE1 3.52Å; M444-F447 HydrophobicContact SD-CZ 3.75Å; M444-A488 HydrophobicContact CE-CB 3.64Å; M444-A488 HydrophobicContact CG-CB 4.17Å; M444-A488 HydrophobicContact SD-CB 3.73Å; M444-F490 HydrophobicContact CB-CD1 4.1Å; M444-F490 HydrophobicContact CB-CE1 4.01Å; M444-F490 HydrophobicContact CE-CE1 3.76Å; M444-F490 HydrophobicContact CE-CZ 3.64Å; M444-F490 HydrophobicContact CG-CE1 4.33Å |
| 445 | R | 69.6 | Low | 70.5 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -45.8 | 177.5 | -77.3 | -157.7 | -144.5 | 174.9 | 11.3 | 113.5 | S466 V489 D491 | R445-S466 WeakPolarHBondContact O-CB 3.1Å; R445-S466 PolarHBondContact O-OG 2.99Å; R445-S466 VanDerWaalsContact O-OG 3.08Å; R445-V489 PolarHBondContact N-O 3.36Å; R445-D491 IonicContact CZ-OD1 2.8Å; R445-D491 VanDerWaalsContact CZ-OD1 3.25Å; R445-D491 IonicContact CZ-OD2 3.17Å; R445-D491 VanDerWaalsContact NE-CG 3.25Å; R445-D491 IonicContact NE-OD1 3.43Å; R445-D491 PolarHBondContact NE-OD1 3.07Å; R445-D491 IonicContact NE-OD2 2.66Å; R445-D491 PolarHBondContact NE-OD2 3.02Å; R445-D491 IonicContact NH2-OD1 3.61Å; R445-D491 PolarHBondContact NH2-OD1 3.35Å; R445-D491 IonicContact NH2-OD2 3.59Å; R445-D491 PolarHBondContact NH2-OD2 2.6Å |
| 446 | M | 77.1 | Confident | 69.1 | Low | 65 Ų | 65 | 63 Ų | 63 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 159.4 | -165.2 | 57.5 | -148.8 | -56.5 | 0 | 0 | 111.7 | M463 I464 V489 | M446-M463 HydrophobicContact CB-CE 4.43Å; M446-M463 HydrophobicContact CE-CB 3.74Å; M446-M463 HydrophobicContact CE-CE 3.58Å; M446-M463 HydrophobicContact CE-CG 4.08Å; M446-M463 HydrophobicContact CG-CE 3.59Å; M446-M463 HydrophobicContact SD-CE 3.88Å; M446-I464 WeakPolarHBondContact CA-O 3.42Å; M446-I464 WeakPolarHBondContact CB-O 3.1Å; M446-V489 HydrophobicContact CG-CB 3.95Å; M446-V489 HydrophobicContact CG-CG2 4.05Å; M446-V489 WeakPolarHBondContact O-CB 3.33Å; M446-V489 PolarHBondContact O-N 3.38Å |
| 447 | F | 79.1 | Confident | 68.4 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.3 | 168.2 | -58.2 | -74.4 | 0 | 0 | 0 | 110.5 | W435 M444 M463 I464 T468 V486 L487 A488 L503 | W435-F447 AromaticContact CE2-CD2 3.94Å; W435-F447 HydrophobicContact CZ2-CB 4.17Å; W435-F447 AromaticContact CZ2-CD2 3.71Å; W435-F447 HydrophobicContact CZ2-CD2 3.71Å; W435-F447 HydrophobicContact CZ2-CE2 4.27Å; W435-F447 AromaticContact CZ2-CG 3.97Å; W435-F447 HydrophobicContact CZ2-CG 3.97Å; W435-F447 AromaticContact NE1-CD1 3.75Å; W435-F447 AromaticContact NE1-CD2 3.58Å; W435-F447 AromaticContact NE1-CE1 3.59Å; W435-F447 AromaticContact NE1-CE2 3.4Å; W435-F447 AromaticContact NE1-CG 3.75Å; W435-F447 AromaticContact NE1-CZ 3.41Å; M444-F447 HydrophobicContact CE-CE1 4.43Å; M444-F447 HydrophobicContact SD-CD1 4.23Å; M444-F447 HydrophobicContact SD-CE1 3.52Å; M444-F447 VanDerWaalsContact SD-CE1 3.52Å; M444-F447 HydrophobicContact SD-CZ 3.75Å; F447-M463 WeakPolarHBondContact O-CA 3.02Å; F447-I464 HydrophobicContact CB-CB 4.24Å; F447-I464 PolarHBondContact N-O 3.49Å; F447-I464 PolarHBondContact O-N 3.17Å; F447-T468 WeakPolarHBondContact CE2-O 3.32Å; F447-V486 HydrophobicContact CB-CG1 4.46Å; F447-V486 HydrophobicContact CD1-CG1 4.48Å; F447-L487 CarbonylContact C-O 3.6Å; F447-L487 VanDerWaalsContact CA-O 3.27Å; F447-L487 WeakPolarHBondContact CA-O 3.2Å; F447-A488 HydrophobicContact CD1-CB 4.11Å; F447-A488 HydrophobicContact CE1-CB 4.21Å; F447-L503 HydrophobicContact CD1-CD2 4.17Å; F447-L503 HydrophobicContact CE1-CD1 4.43Å; F447-L503 HydrophobicContact CE1-CD2 3.74Å |
| 448 | Q | 80.8 | Confident | 67.9 | Low | 34 Ų | 34 | 70.1 Ų | 70.1 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.7 | 170.1 | -177.4 | 178.6 | 12.4 | 0 | 0 | 108.1 | Q450 M463 L487 V489 | Q448-Q450 HydrophobicContact CG-CG 4.05Å; Q448-M463 HydrophobicContact CB-CE 3.92Å; Q448-M463 HydrophobicContact CB-SD 3.77Å; Q448-M463 HydrophobicContact CG-CE 4.43Å; Q448-M463 HydrophobicContact CG-SD 3.67Å; Q448-L487 HydrophobicContact CB-CB 4.41Å; Q448-L487 HydrophobicContact CG-CD1 4.5Å; Q448-L487 PolarHBondContact N-O 3.38Å; Q448-L487 PolarHBondContact O-N 3.38Å; Q448-V489 HydrophobicContact CB-CG2 4.36Å |
| 449 | V | 83.8 | Confident | 68.5 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.8 | 172 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | W435 Y461 R462 I464 F471 L484 C485 V486 | W435-V449 HydrophobicContact CH2-CG2 4.22Å; W435-V449 HydrophobicContact CZ3-CG2 4.37Å; V449-Y461 CarbonylContact O-C 3.57Å; V449-Y461 WeakPolarHBondContact O-CA 3.31Å; V449-Y461 WeakPolarHBondContact O-CB 3.04Å; V449-R462 PolarHBondContact N-O 3.24Å; V449-R462 PolarHBondContact O-N 3.19Å; V449-I464 HydrophobicContact CG2-CG1 3.79Å; V449-F471 HydrophobicContact CB-CD1 4.4Å; V449-F471 HydrophobicContact CG1-CD1 4.09Å; V449-F471 HydrophobicContact CG1-CE1 4.49Å; V449-F471 HydrophobicContact CG2-CD1 4.34Å; V449-L484 HydrophobicContact CG1-CD1 3.91Å; V449-L484 HydrophobicContact CG1-CD2 4.05Å; V449-L484 HydrophobicContact CG1-CG 3.98Å; V449-C485 WeakPolarHBondContact CA-O 3.32Å; V449-V486 HydrophobicContact CG2-CG2 4.31Å |
| 450 | Q | 84.6 | Confident | 69.6 | Low | 49 Ų | 49 | 65.8 Ų | 65.8 | 23% | 0.229 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.4 | 177.6 | -55.6 | -177.3 | -9.3 | 0 | 0 | 109.2 | Q448 L459 V460 L484 C485 L487 | Q448-Q450 HydrophobicContact CG-CG 4.05Å; Q450-L459 HydrophobicContact CB-CD1 4.17Å; Q450-L459 HydrophobicContact CB-CG 4.47Å; Q450-V460 CarbonylContact C-O 3.53Å; Q450-V460 VanDerWaalsContact CA-O 3.32Å; Q450-V460 WeakPolarHBondContact CA-O 3.39Å; Q450-L484 CarbonylContact O-C 3.47Å; Q450-L484 VanDerWaalsContact O-CA 3.26Å; Q450-L484 WeakPolarHBondContact O-CA 3.4Å; Q450-C485 PolarHBondContact N-O 3.01Å; Q450-C485 PolarHBondContact O-N 2.78Å; Q450-L487 HydrophobicContact CG-CD1 3.9Å |
| 451 | Y | 85.8 | Confident | 71 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 150.1 | 172.4 | 66.9 | -82.2 | 0 | 0 | 0 | 113.1 | V460 V473 L476 Y482 D483 L484 | Y451-V460 HydrophobicContact CD1-CB 4.2Å; Y451-V460 HydrophobicContact CD1-CG1 4.44Å; Y451-V460 HydrophobicContact CD2-CB 4.44Å; Y451-V460 HydrophobicContact CE1-CB 3.81Å; Y451-V460 HydrophobicContact CE1-CG1 3.64Å; Y451-V460 HydrophobicContact CE2-CB 4.08Å; Y451-V460 HydrophobicContact CE2-CG1 4.45Å; Y451-V460 HydrophobicContact CE2-CG2 4.29Å; Y451-V460 HydrophobicContact CG-CB 4.5Å; Y451-V460 PolarHBondContact N-O 3.02Å; Y451-V460 PolarHBondContact O-N 3.13Å; Y451-V473 HydrophobicContact CD1-CG1 4.39Å; Y451-V473 HydrophobicContact CD2-CG1 4.39Å; Y451-V473 HydrophobicContact CE1-CG1 3.78Å; Y451-V473 HydrophobicContact CE2-CG1 3.77Å; Y451-V473 VanDerWaalsContact CZ-CG1 3.42Å; Y451-L476 HydrophobicContact CE2-CD2 4.13Å; Y451-Y482 HydrophobicContact CD2-CD1 4.09Å; Y451-Y482 HydrophobicContact CD2-CE1 4.49Å; Y451-D483 CarbonylContact C-O 3.55Å; Y451-D483 WeakPolarHBondContact CA-O 2.98Å; Y451-D483 WeakPolarHBondContact CB-O 3.25Å; Y451-L484 HydrophobicContact CD1-CD1 4.45Å; Y451-L484 HydrophobicContact CG-CD1 4.44Å |
| 452 | N | 83.5 | Confident | 72.1 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 25% | 0.246 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.9 | 173.3 | 65.8 | -58.2 | 0 | 0 | 0 | 110.5 | L459 Y482 D483 | N452-L459 HydrophobicContact CB-CD1 4.22Å; N452-Y482 VanDerWaalsContact O-CA 3.31Å; N452-Y482 WeakPolarHBondContact O-CA 3.38Å; N452-Y482 WeakPolarHBondContact O-CD1 3.03Å; N452-D483 PolarHBondContact N-O 2.87Å; N452-D483 PolarHBondContact O-N 3.14Å; N452-D483 VanDerWaalsContact O-N 3.12Å; N452-D483 PolarHBondContact OD1-O 3.08Å |
| 453 | S | 83.5 | Confident | 73.3 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 148.3 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | G455 D456 R480 S481 | S453-G455 PolarHBondContact O-N 3.07Å; S453-G455 VanDerWaalsContact O-N 3.07Å; S453-D456 CarbonylContact O-C 3.57Å; S453-D456 PolarHBondContact O-N 2.78Å; S453-D456 VanDerWaalsContact O-N 3.16Å; S453-R480 WeakPolarHBondContact OG-CD 3.42Å; S453-S481 CarbonylContact C-O 3.58Å; S453-S481 WeakPolarHBondContact CA-O 3.48Å; S453-S481 PolarHBondContact OG-O 3.25Å |
| 454 | S | 74.8 | Confident | 74.2 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.6 | 171.9 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | S481 | S454-S481 PolarHBondContact N-O 2.85Å; S454-S481 PolarHBondContact OG-O 2.97Å |
| 455 | G | 63.6 | Low | 74.5 | Confident | 48 Ų | 48 | 65.1 Ų | 65.1 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -6.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S453 | S453-G455 PolarHBondContact O-N 3.07Å; S453-G455 VanDerWaalsContact O-N 3.07Å |
| 456 | D | 59.9 | Low | 74.7 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 117.1 | -178.8 | -77.8 | -63.7 | 0 | 0 | 0 | 110.3 | S453 T458 R480 | S453-D456 CarbonylContact O-C 3.57Å; S453-D456 PolarHBondContact O-N 2.78Å; S453-D456 VanDerWaalsContact O-N 3.16Å; D456-T458 PolarHBondContact O-N 3.41Å; D456-R480 IonicContact OD2-CZ 3.1Å; D456-R480 IonicContact OD2-NH1 2.85Å; D456-R480 PolarHBondContact OD2-NH1 2.87Å; D456-R480 IonicContact OD2-NH2 3.46Å |
| 457 | D | 58.7 | Low | 74.4 | Confident | 163 Ų | 163 | 63.6 Ų | 63.6 | 87% | 0.872 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 19 | 176.4 | -74.4 | -31.7 | 0 | 0 | 0 | 114 | L459 | D457-L459 PolarHBondContact O-N 3.01Å |
| 458 | T | 51.7 | Low | 74.4 | Confident | 86 Ų | 86 | 66 Ų | 66 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 108.3 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | D456 V460 | D456-T458 PolarHBondContact O-N 3.41Å; T458-V460 PolarHBondContact O-N 3.17Å |
| 459 | L | 67.2 | Low | 74.4 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 48% | 0.482 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 103.1 | 170.4 | -170.5 | 72.2 | 0 | 0 | 0 | 109.7 | Q450 N452 D457 | Q450-L459 HydrophobicContact CB-CD1 4.17Å; Q450-L459 HydrophobicContact CB-CG 4.47Å; N452-L459 HydrophobicContact CB-CD1 4.22Å; D457-L459 PolarHBondContact O-N 3.01Å |
| 460 | V | 70.4 | Confident | 74.5 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.4 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | Q450 Y451 T458 | Q450-V460 CarbonylContact C-O 3.53Å; Q450-V460 VanDerWaalsContact CA-O 3.32Å; Q450-V460 WeakPolarHBondContact CA-O 3.39Å; Y451-V460 HydrophobicContact CD1-CB 4.2Å; Y451-V460 HydrophobicContact CD1-CG1 4.44Å; Y451-V460 HydrophobicContact CD2-CB 4.44Å; Y451-V460 HydrophobicContact CE1-CB 3.81Å; Y451-V460 HydrophobicContact CE1-CG1 3.64Å; Y451-V460 HydrophobicContact CE2-CB 4.08Å; Y451-V460 HydrophobicContact CE2-CG1 4.45Å; Y451-V460 HydrophobicContact CE2-CG2 4.29Å; Y451-V460 HydrophobicContact CG-CB 4.5Å; Y451-V460 PolarHBondContact N-O 3.02Å; Y451-V460 PolarHBondContact O-N 3.13Å; T458-V460 PolarHBondContact O-N 3.17Å |
| 461 | Y | 79.3 | Confident | 74.5 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153 | 171 | 65.2 | -88.9 | 0 | 0 | 0 | 112.9 | E367 V449 | E367-Y461 PolarHBondContact O-OH 3.2Å; V449-Y461 CarbonylContact O-C 3.57Å; V449-Y461 WeakPolarHBondContact O-CA 3.31Å; V449-Y461 WeakPolarHBondContact O-CB 3.04Å |
| 462 | R | 77.3 | Confident | 74.5 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 50% | 0.498 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.6 | -179.7 | -66.6 | -66.2 | -168.7 | -152.1 | 4.3 | 109.5 | V449 I464 F471 | V449-R462 PolarHBondContact N-O 3.24Å; V449-R462 PolarHBondContact O-N 3.19Å; R462-I464 HydrophobicContact CB-CD1 4.38Å; R462-F471 HydrophobicContact CB-CE1 4.37Å; R462-F471 HydrophobicContact CB-CE2 4.49Å; R462-F471 HydrophobicContact CB-CZ 4.03Å; R462-F471 HydrophobicContact CG-CE1 4.22Å; R462-F471 HydrophobicContact CG-CZ 3.74Å |
| 463 | M | 78.5 | Confident | 74.6 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 40% | 0.404 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.1 | 174.7 | -59.8 | -49.5 | -65.4 | 0 | 0 | 109.5 | M446 F447 Q448 V489 | M446-M463 HydrophobicContact CB-CE 4.43Å; M446-M463 HydrophobicContact CE-CB 3.74Å; M446-M463 HydrophobicContact CE-CE 3.58Å; M446-M463 HydrophobicContact CE-CG 4.08Å; M446-M463 HydrophobicContact CG-CE 3.59Å; M446-M463 HydrophobicContact SD-CE 3.88Å; F447-M463 WeakPolarHBondContact O-CA 3.02Å; Q448-M463 HydrophobicContact CB-CE 3.92Å; Q448-M463 HydrophobicContact CB-SD 3.77Å; Q448-M463 HydrophobicContact CG-CE 4.43Å; Q448-M463 HydrophobicContact CG-SD 3.67Å; M463-V489 HydrophobicContact CE-CG2 4Å |
| 464 | I | 80.2 | Confident | 74.6 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 8% | 0.077 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.4 | -173.1 | -54.8 | -58.9 | 0 | 0 | 0 | 108.7 | W435 M446 F447 V449 R462 T468 F471 | W435-I464 HydrophobicContact CH2-CG1 4.5Å; W435-I464 HydrophobicContact CH2-CG2 4.08Å; W435-I464 HydrophobicContact CZ2-CG2 4.12Å; M446-I464 WeakPolarHBondContact CA-O 3.42Å; M446-I464 WeakPolarHBondContact CB-O 3.1Å; F447-I464 HydrophobicContact CB-CB 4.24Å; F447-I464 PolarHBondContact N-O 3.49Å; F447-I464 PolarHBondContact O-N 3.17Å; V449-I464 HydrophobicContact CG2-CG1 3.79Å; R462-I464 HydrophobicContact CB-CD1 4.38Å; I464-T468 WeakPolarHBondContact CG2-OG1 3.47Å; I464-F471 HydrophobicContact CD1-CB 4.37Å; I464-F471 HydrophobicContact CD1-CD2 3.29Å; I464-F471 HydrophobicContact CD1-CE2 3.7Å; I464-F471 HydrophobicContact CD1-CG 3.88Å; I464-F471 HydrophobicContact CG1-CD2 4.26Å; I464-F471 HydrophobicContact CG1-CG 4.39Å |
| 465 | P | 74.4 | Confident | 74.8 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 146.1 | 176.4 | -26.9 | 36 | 0 | 0 | 0 | 112.8 | T467 T468 | P465-T467 WeakPolarHBondContact CB-OG1 3.33Å; P465-T467 PolarHBondContact O-N 3.04Å; P465-T467 VanDerWaalsContact O-N 3.09Å; P465-T468 PolarHBondContact O-N 3.29Å; P465-T468 VanDerWaalsContact O-N 3.14Å; P465-T468 PolarHBondContact O-OG1 3.39Å |
| 466 | S | 73.7 | Confident | 75.8 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -8.5 | 175.5 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | R445 | R445-S466 WeakPolarHBondContact O-CB 3.1Å; R445-S466 PolarHBondContact O-OG 2.99Å; R445-S466 VanDerWaalsContact O-OG 3.08Å |
| 467 | T | 71.4 | Confident | 76.9 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 77% | 0.773 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.7 | 174.1 | 51.8 | 0 | 0 | 0 | 0 | 114 | P465 | P465-T467 WeakPolarHBondContact CB-OG1 3.33Å; P465-T467 PolarHBondContact O-N 3.04Å; P465-T467 VanDerWaalsContact O-N 3.09Å |
| 468 | T | 78.6 | Confident | 78 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | trans | -119.4 | 137.3 | -174.7 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | W435 F447 I464 P465 | W435-T468 WeakPolarHBondContact CZ2-O 3.26Å; F447-T468 WeakPolarHBondContact CE2-O 3.32Å; I464-T468 WeakPolarHBondContact CG2-OG1 3.47Å; P465-T468 PolarHBondContact O-N 3.29Å; P465-T468 VanDerWaalsContact O-N 3.14Å; P465-T468 PolarHBondContact O-OG1 3.39Å | ||
| 469 | N | 82.7 | Confident | 79.4 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 35% | 0.348 | 37% | 0.371 | S | S | . | . | trans | -115.3 | 8.5 | -176.1 | -75 | -31.2 | 0 | 0 | 0 | 113 | R434 W435 | R434-N469 WeakPolarHBondContact CA-O 3.33Å; W435-N469 VanDerWaalsContact CD2-O 3.29Å; W435-N469 PolarHBondContact N-O 3.06Å | ||
| 470 | D | 84 | Confident | 80.2 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.6 | 177.2 | 41.9 | 9.4 | 0 | 0 | 0 | 112.1 | I433 R434 | I433-D470 CarbonylContact O-C 3.53Å; I433-D470 WeakPolarHBondContact O-CA 3.35Å; I433-D470 VanDerWaalsContact O-CB 3.28Å; I433-D470 WeakPolarHBondContact O-CB 3.33Å; R434-D470 HydrophobicContact CB-CB 4.05Å; R434-D470 HydrophobicContact CG-CB 4.16Å; R434-D470 IonicContact CZ-OD2 3.9Å; R434-D470 IonicContact NE-OD2 2.69Å; R434-D470 PolarHBondContact NE-OD2 2.71Å; R434-D470 VanDerWaalsContact NE-OD2 3.1Å; R434-D470 IonicContact NH2-OD2 3.32Å; R434-D470 PolarHBondContact NH2-OD2 2.8Å |
| 471 | F | 86.6 | Confident | 81 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 17% | 0.167 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 130.6 | -177 | 177.8 | -115.6 | 0 | 0 | 0 | 110.9 | I433 W435 V449 R462 I464 V473 | I433-F471 PolarHBondContact N-O 3.03Å; I433-F471 PolarHBondContact O-N 3.22Å; W435-F471 HydrophobicContact CH2-CB 3.91Å; W435-F471 HydrophobicContact CZ3-CB 3.84Å; V449-F471 HydrophobicContact CB-CD1 4.4Å; V449-F471 HydrophobicContact CG1-CD1 4.09Å; V449-F471 HydrophobicContact CG1-CE1 4.49Å; V449-F471 HydrophobicContact CG2-CD1 4.34Å; R462-F471 HydrophobicContact CB-CE1 4.37Å; R462-F471 HydrophobicContact CB-CE2 4.49Å; R462-F471 HydrophobicContact CB-CZ 4.03Å; R462-F471 HydrophobicContact CG-CE1 4.22Å; R462-F471 HydrophobicContact CG-CZ 3.74Å; I464-F471 HydrophobicContact CD1-CB 4.37Å; I464-F471 HydrophobicContact CD1-CD2 3.29Å; I464-F471 HydrophobicContact CD1-CE2 3.7Å; I464-F471 HydrophobicContact CD1-CG 3.88Å; I464-F471 HydrophobicContact CG1-CD2 4.26Å; I464-F471 HydrophobicContact CG1-CG 4.39Å; F471-V473 HydrophobicContact CD1-CG2 4Å; F471-V473 HydrophobicContact CE1-CB 4.47Å; F471-V473 HydrophobicContact CE1-CG2 3.89Å |
| 472 | L | 84.8 | Confident | 81.4 | Confident | 65 Ų | 65 | 65 Ų | 65 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.2 | 175.1 | 179.3 | 64.3 | 0 | 0 | 0 | 109.8 | L432 R474 | L432-L472 HydrophobicContact CB-CD1 4.13Å; L432-L472 HydrophobicContact CD1-CB 4.12Å; L432-L472 HydrophobicContact CD1-CD1 4.43Å; L472-R474 HydrophobicContact CD2-CG 4.21Å; L472-R474 HydrophobicContact CG-CG 4.07Å |
| 473 | V | 86.4 | Confident | 82 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.7 | 168 | -161.9 | 0 | 0 | 0 | 0 | 108.3 | S430 A431 I433 Y451 F471 L476 L484 | S430-V473 CarbonylContact C-O 3.13Å; S430-V473 WeakPolarHBondContact CA-O 3.21Å; S430-V473 VanDerWaalsContact CB-O 3.29Å; S430-V473 WeakPolarHBondContact CB-O 3.35Å; A431-V473 HydrophobicContact CB-CB 4.44Å; A431-V473 PolarHBondContact N-O 2.98Å; A431-V473 PolarHBondContact O-N 2.96Å; I433-V473 HydrophobicContact CG1-CG2 4Å; Y451-V473 HydrophobicContact CD1-CG1 4.39Å; Y451-V473 HydrophobicContact CD2-CG1 4.39Å; Y451-V473 HydrophobicContact CE1-CG1 3.78Å; Y451-V473 HydrophobicContact CE2-CG1 3.77Å; Y451-V473 VanDerWaalsContact CZ-CG1 3.42Å; F471-V473 HydrophobicContact CD1-CG2 4Å; F471-V473 HydrophobicContact CE1-CB 4.47Å; F471-V473 HydrophobicContact CE1-CG2 3.89Å; V473-L476 HydrophobicContact CG1-CD2 3.66Å; V473-L476 HydrophobicContact CG1-CG 4.22Å; V473-L484 HydrophobicContact CG2-CD1 3.88Å |
| 474 | R | 82.4 | Confident | 82.5 | Confident | 165 Ų | 165 | 58.7 Ų | 58.7 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | trans | -120.6 | 172.3 | 177.6 | -63.9 | -175.4 | 177.7 | 176.2 | -0.4 | 110 | N429 L472 L476 | N429-R474 CarbonylContact O-C 3.58Å; L472-R474 HydrophobicContact CD2-CG 4.21Å; L472-R474 HydrophobicContact CG-CG 4.07Å; R474-L476 PolarHBondContact O-N 2.82Å | ||
| 475 | D | 79.9 | Confident | 82.7 | Confident | 154 Ų | 154 | 60 Ų | 60 | 82% | 0.824 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 59.2 | 33.6 | 174 | -44.6 | -49.8 | 0 | 0 | 0 | 113.2 | N429 | N429-D475 PolarHBondContact O-N 2.87Å; N429-D475 VanDerWaalsContact O-N 3.07Å |
| 476 | L | 83.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 149.8 | 171.5 | -56.4 | 179.2 | 0 | 0 | 0 | 110.3 | N429 A431 Y451 V473 R474 Y482 F508 T510 | N429-L476 WeakPolarHBondContact CA-O 3.42Å; N429-L476 PolarHBondContact O-N 2.96Å; A431-L476 HydrophobicContact CB-CD1 3.82Å; Y451-L476 HydrophobicContact CE2-CD2 4.13Å; V473-L476 HydrophobicContact CG1-CD2 3.66Å; V473-L476 HydrophobicContact CG1-CG 4.22Å; R474-L476 PolarHBondContact O-N 2.82Å; L476-Y482 HydrophobicContact CB-CE2 4.1Å; L476-Y482 HydrophobicContact CD2-CD1 4.13Å; L476-Y482 HydrophobicContact CD2-CD2 4.39Å; L476-Y482 HydrophobicContact CD2-CE1 3.72Å; L476-Y482 HydrophobicContact CD2-CE2 4.02Å; L476-Y482 HydrophobicContact CD2-CG 4.44Å; L476-Y482 HydrophobicContact CG-CE2 4.48Å; L476-F508 HydrophobicContact CD1-CE2 3.71Å; L476-F508 HydrophobicContact CD1-CZ 4.1Å; L476-T510 HydrophobicContact CB-CG2 3.83Å; L476-T510 HydrophobicContact CD1-CG2 3.72Å; L476-T510 HydrophobicContact CG-CG2 4.43Å |
| 477 | A | 82.9 | Confident | 83.7 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 133.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G428 R480 Y482 T510 | G428-A477 CarbonylContact O-C 3.58Å; A477-R480 HydrophobicContact CB-CG 4.01Å; A477-Y482 PolarHBondContact N-OH 2.82Å; A477-T510 PolarHBondContact O-OG1 2.87Å |
| 478 | A | 82.6 | Confident | 84 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 141.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G428 R480 D511 E513 | G428-A478 WeakPolarHBondContact O-CA 3.28Å; G428-A478 PolarHBondContact O-N 3.46Å; G428-A478 VanDerWaalsContact O-N 3.16Å; A478-R480 PolarHBondContact O-N 2.03Å; A478-D511 CarbonylContact C-O 3.49Å; A478-D511 VanDerWaalsContact CA-O 3.3Å; A478-D511 WeakPolarHBondContact CA-O 3.29Å; A478-D511 VanDerWaalsContact CB-O 3.27Å; A478-D511 WeakPolarHBondContact CB-O 3.14Å; A478-E513 HydrophobicContact CB-CG 4.27Å |
| 479 | G | 81.7 | Confident | 84 | Confident | 39 Ų | 39 | 47 Ų | 47 | 40% | 0.402 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 22.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | T510 D511 | G479-T510 VanDerWaalsContact CA-O 3.26Å; G479-T510 WeakPolarHBondContact CA-O 3.3Å; G479-T510 PolarHBondContact N-O 3.49Å; G479-T510 VanDerWaalsContact N-O 3.17Å; G479-T510 PolarHBondContact N-OG1 2.79Å; G479-T510 VanDerWaalsContact N-OG1 3.09Å; G479-D511 PolarHBondContact N-O 3.06Å |
| 480 | R | 83.8 | Confident | 83.7 | Confident | 85 Ų | 85 | 46 Ų | 46 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | trans | -116 | 147.1 | 179.7 | -68.9 | -156.3 | -174.5 | 179.8 | -3 | 112.9 | S453 D456 A477 A478 Y482 T509 T510 | S453-R480 WeakPolarHBondContact OG-CD 3.42Å; D456-R480 IonicContact OD2-CZ 3.1Å; D456-R480 IonicContact OD2-NH1 2.85Å; D456-R480 PolarHBondContact OD2-NH1 2.87Å; D456-R480 IonicContact OD2-NH2 3.46Å; A477-R480 HydrophobicContact CB-CG 4.01Å; A478-R480 PolarHBondContact O-N 2.03Å; R480-Y482 HydrophobicContact CB-CE2 3.82Å; R480-Y482 WeakPolarHBondContact O-CD2 3.36Å; R480-T509 CarbonylContact O-C 3.49Å; R480-T509 VanDerWaalsContact O-CA 3.3Å; R480-T509 WeakPolarHBondContact O-CA 3.2Å; R480-T510 PolarHBondContact N-OG1 3.42Å; R480-T510 PolarHBondContact O-N 2.03Å; R480-T510 PolarHBondContact O-OG1 2.9Å | ||
| 481 | S | 86.9 | Confident | 82.6 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 146.7 | 172.2 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | S453 S454 F508 T509 | S453-S481 CarbonylContact C-O 3.58Å; S453-S481 WeakPolarHBondContact CA-O 3.48Å; S453-S481 PolarHBondContact OG-O 3.25Å; S454-S481 PolarHBondContact N-O 2.85Å; S454-S481 PolarHBondContact OG-O 2.97Å; S481-F508 CarbonylContact C-O 3.5Å; S481-F508 WeakPolarHBondContact CA-O 3.2Å; S481-T509 PolarHBondContact OG-OG1 3.02Å |
| 482 | Y | 88.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134 | -177.8 | -71.2 | -85.9 | 0 | 0 | 0 | 110.4 | Y451 N452 L476 A477 R480 S507 F508 T510 | Y451-Y482 HydrophobicContact CD2-CD1 4.09Å; Y451-Y482 HydrophobicContact CD2-CE1 4.49Å; N452-Y482 VanDerWaalsContact O-CA 3.31Å; N452-Y482 WeakPolarHBondContact O-CA 3.38Å; N452-Y482 WeakPolarHBondContact O-CD1 3.03Å; L476-Y482 HydrophobicContact CB-CE2 4.1Å; L476-Y482 HydrophobicContact CD2-CD1 4.13Å; L476-Y482 HydrophobicContact CD2-CD2 4.39Å; L476-Y482 HydrophobicContact CD2-CE1 3.72Å; L476-Y482 HydrophobicContact CD2-CE2 4.02Å; L476-Y482 HydrophobicContact CD2-CG 4.44Å; L476-Y482 HydrophobicContact CG-CE2 4.48Å; A477-Y482 PolarHBondContact N-OH 2.82Å; R480-Y482 HydrophobicContact CB-CE2 3.82Å; R480-Y482 WeakPolarHBondContact O-CD2 3.36Å; Y482-S507 CarbonylContact O-C 3.6Å; Y482-S507 VanDerWaalsContact O-CA 3.28Å; Y482-S507 WeakPolarHBondContact O-CA 3.21Å; Y482-F508 HydrophobicContact CD2-CE2 4.23Å; Y482-F508 HydrophobicContact CD2-CZ 4.46Å; Y482-F508 HydrophobicContact CG-CE2 4.4Å; Y482-F508 HydrophobicContact CG-CZ 4.18Å; Y482-F508 PolarHBondContact N-O 2.99Å; Y482-F508 PolarHBondContact O-N 2.71Å; Y482-T510 HydrophobicContact CD2-CG2 4.25Å; Y482-T510 HydrophobicContact CE2-CG2 3.99Å |
| 483 | D | 88.2 | Confident | 79.6 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.9 | 168.8 | -69.9 | -46.3 | 0 | 0 | 0 | 108.5 | Y451 N452 S507 | Y451-D483 CarbonylContact C-O 3.55Å; Y451-D483 WeakPolarHBondContact CA-O 2.98Å; Y451-D483 WeakPolarHBondContact CB-O 3.25Å; N452-D483 PolarHBondContact N-O 2.87Å; N452-D483 PolarHBondContact O-N 3.14Å; N452-D483 VanDerWaalsContact O-N 3.12Å; N452-D483 PolarHBondContact OD1-O 3.08Å; D483-S507 WeakPolarHBondContact OD1-CB 3.08Å; D483-S507 PolarHBondContact OD1-OG 2.92Å |
| 484 | L | 90 | Very high | 78.1 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.4 | -176.3 | -179.7 | 152.2 | 0 | 0 | 0 | 111.3 | I433 V449 Q450 Y451 V473 V486 C505 L506 F508 | I433-L484 HydrophobicContact CD1-CD1 4.33Å; I433-L484 HydrophobicContact CG1-CD1 3.87Å; I433-L484 HydrophobicContact CG1-CD2 4.49Å; I433-L484 HydrophobicContact CG2-CD2 4.07Å; V449-L484 HydrophobicContact CG1-CD1 3.91Å; V449-L484 HydrophobicContact CG1-CD2 4.05Å; V449-L484 HydrophobicContact CG1-CG 3.98Å; Q450-L484 CarbonylContact O-C 3.47Å; Q450-L484 VanDerWaalsContact O-CA 3.26Å; Q450-L484 WeakPolarHBondContact O-CA 3.4Å; Y451-L484 HydrophobicContact CD1-CD1 4.45Å; Y451-L484 HydrophobicContact CG-CD1 4.44Å; V473-L484 HydrophobicContact CG2-CD1 3.88Å; L484-V486 HydrophobicContact CD2-CG2 4.02Å; L484-C505 CarbonylContact O-C 3.4Å; L484-C505 WeakPolarHBondContact O-CA 3.23Å; L484-C505 VanDerWaalsContact O-CB 3.29Å; L484-C505 WeakPolarHBondContact O-CB 3.49Å; L484-L506 HydrophobicContact CB-CG 4.4Å; L484-L506 HydrophobicContact CD2-CD2 4.05Å; L484-L506 HydrophobicContact CD2-CG 4.23Å; L484-L506 PolarHBondContact N-O 2.83Å; L484-L506 PolarHBondContact O-N 2.87Å; L484-F508 HydrophobicContact CB-CE1 4.21Å; L484-F508 HydrophobicContact CD1-CE1 4.42Å |
| 485 | C | 84.9 | Confident | 76.7 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 28% | 0.284 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142 | 176 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | V449 Q450 C505 | V449-C485 WeakPolarHBondContact CA-O 3.32Å; Q450-C485 PolarHBondContact N-O 3.01Å; Q450-C485 PolarHBondContact O-N 2.78Å; C485-C505 HydrophobicContact CB-CB 4.06Å; C485-C505 WeakPolarHBondContact CB-SG 3.5Å; C485-C505 WeakPolarHBondContact SG-CB 3.35Å; C485-C505 CovalentContact SG-SG 2.04Å; C485-C505 PolarHBondContact SG-SG 3.43Å |
| 486 | V | 85 | Confident | 75.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.7 | 172.4 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | V421 W435 F447 V449 L484 L503 G504 | V421-V486 HydrophobicContact CG1-CG2 3.69Å; V421-V486 HydrophobicContact CG2-CB 4.01Å; V421-V486 HydrophobicContact CG2-CG2 3.99Å; W435-V486 HydrophobicContact CD2-CG1 4.04Å; W435-V486 HydrophobicContact CE3-CG1 4.36Å; W435-V486 HydrophobicContact CE3-CG2 4.12Å; W435-V486 HydrophobicContact CG-CG1 4.33Å; F447-V486 HydrophobicContact CB-CG1 4.46Å; F447-V486 HydrophobicContact CD1-CG1 4.48Å; V449-V486 HydrophobicContact CG2-CG2 4.31Å; L484-V486 HydrophobicContact CD2-CG2 4.02Å; V486-L503 HydrophobicContact CB-CB 4.41Å; V486-L503 HydrophobicContact CG1-CB 4.41Å; V486-L503 HydrophobicContact CG1-CD2 4.45Å; V486-L503 PolarHBondContact O-N 3.34Å; V486-G504 PolarHBondContact N-O 2.9Å; V486-G504 PolarHBondContact O-N 2.8Å |
| 487 | L | 82.6 | Confident | 73.5 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.8 | 176.3 | -54 | 114.9 | 0 | 0 | 0 | 110.3 | F447 Q448 Q450 R501 P502 | F447-L487 CarbonylContact C-O 3.6Å; F447-L487 VanDerWaalsContact CA-O 3.27Å; F447-L487 WeakPolarHBondContact CA-O 3.2Å; Q448-L487 HydrophobicContact CB-CB 4.41Å; Q448-L487 HydrophobicContact CG-CD1 4.5Å; Q448-L487 PolarHBondContact N-O 3.38Å; Q448-L487 PolarHBondContact O-N 3.38Å; Q450-L487 HydrophobicContact CG-CD1 3.9Å; L487-R501 CarbonylContact C-O 3.42Å; L487-R501 VanDerWaalsContact CA-O 3.3Å; L487-R501 WeakPolarHBondContact CA-O 3.46Å; L487-P502 HydrophobicContact CD2-CB 4.16Å |
| 488 | A | 79.6 | Confident | 72.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M444 F447 F490 T500 R501 L503 | M444-A488 HydrophobicContact CE-CB 3.64Å; M444-A488 HydrophobicContact CG-CB 4.17Å; M444-A488 HydrophobicContact SD-CB 3.73Å; F447-A488 HydrophobicContact CD1-CB 4.11Å; F447-A488 HydrophobicContact CE1-CB 4.21Å; A488-F490 HydrophobicContact CB-CE2 3.71Å; A488-F490 HydrophobicContact CB-CZ 3.96Å; A488-T500 CarbonylContact O-C 3.56Å; A488-T500 WeakPolarHBondContact O-CA 3.35Å; A488-R501 PolarHBondContact N-O 2.82Å; A488-R501 PolarHBondContact O-N 3.44Å; A488-L503 HydrophobicContact CB-CD1 3.43Å; A488-L503 VanDerWaalsContact CB-CD1 3.43Å |
| 489 | V | 78.2 | Confident | 71.4 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.4 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | R445 M446 Q448 M463 T498 T500 | R445-V489 PolarHBondContact N-O 3.36Å; M446-V489 HydrophobicContact CG-CB 3.95Å; M446-V489 HydrophobicContact CG-CG2 4.05Å; M446-V489 WeakPolarHBondContact O-CB 3.33Å; M446-V489 PolarHBondContact O-N 3.38Å; Q448-V489 HydrophobicContact CB-CG2 4.36Å; M463-V489 HydrophobicContact CE-CG2 4Å; V489-T498 HydrophobicContact CG1-CG2 4.39Å; V489-T500 HydrophobicContact CG1-CG2 4.46Å; V489-T500 HydrophobicContact CG2-CG2 4.21Å |
| 490 | F | 75.5 | Confident | 71 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150 | -177 | -59.5 | -93.3 | 0 | 0 | 0 | 112 | G443 M444 A488 A499 R501 | G443-F490 WeakPolarHBondContact O-CA 3.22Å; M444-F490 HydrophobicContact CB-CD1 4.1Å; M444-F490 HydrophobicContact CB-CE1 4.01Å; M444-F490 HydrophobicContact CE-CE1 3.76Å; M444-F490 HydrophobicContact CE-CZ 3.64Å; M444-F490 HydrophobicContact CG-CE1 4.33Å; A488-F490 HydrophobicContact CB-CE2 3.71Å; A488-F490 HydrophobicContact CB-CZ 3.96Å; F490-A499 PolarHBondContact N-O 3.18Å; F490-A499 PolarHBondContact O-N 2.93Å; F490-R501 HydrophobicContact CE2-CB 3.87Å |
| 491 | D | 61.3 | Low | 70.5 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.7 | 164.1 | -81.1 | -37.1 | 0 | 0 | 0 | 111 | G443 R445 V493 | G443-D491 PolarHBondContact O-N 2.99Å; R445-D491 IonicContact CZ-OD1 2.8Å; R445-D491 VanDerWaalsContact CZ-OD1 3.25Å; R445-D491 IonicContact CZ-OD2 3.17Å; R445-D491 VanDerWaalsContact NE-CG 3.25Å; R445-D491 IonicContact NE-OD1 3.43Å; R445-D491 PolarHBondContact NE-OD1 3.07Å; R445-D491 IonicContact NE-OD2 2.66Å; R445-D491 PolarHBondContact NE-OD2 3.02Å; R445-D491 IonicContact NH2-OD1 3.61Å; R445-D491 PolarHBondContact NH2-OD1 3.35Å; R445-D491 IonicContact NH2-OD2 3.59Å; R445-D491 PolarHBondContact NH2-OD2 2.6Å; D491-V493 PolarHBondContact O-N 2.97Å |
| 492 | D | 55 | Low | 70 | Confident | 58 Ų | 58 | 68 Ų | 68 | 31% | 0.31 | 38% | 0.383 | S | S | . | . | trans | -86.9 | 101.9 | 165.5 | -173.6 | 9 | 0 | 0 | 0 | 110.3 | I494 T495 S496 | D492-I494 PolarHBondContact O-N 3.33Å; D492-I494 VanDerWaalsContact O-N 3.11Å; D492-I494 PolarHBondContact OD1-N 2.99Å; D492-I494 VanDerWaalsContact OD1-N 3.13Å; D492-T495 VanDerWaalsContact CG-OG1 3.3Å; D492-T495 PolarHBondContact O-N 2.97Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.48Å; D492-T495 PolarHBondContact OD2-OG1 3.41Å; D492-S496 PolarHBondContact O-N 2.7Å | ||
| 493 | V | 54.2 | Low | 69.5 | Low | 141 Ų | 141 | 68.3 Ų | 68.3 | 86% | 0.855 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.1 | 179.9 | -177 | 0 | 0 | 0 | 0 | 112.2 | D491 | D491-V493 PolarHBondContact O-N 2.97Š|
| 494 | I | 54 | Low | 69.1 | Low | 155 Ų | 155 | 65.6 Ų | 65.6 | 80% | 0.795 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -32.7 | -175.3 | -56.2 | 177.7 | 0 | 0 | 0 | 112.1 | D492 | D492-I494 PolarHBondContact O-N 3.33Å; D492-I494 VanDerWaalsContact O-N 3.11Å; D492-I494 PolarHBondContact OD1-N 2.99Å; D492-I494 VanDerWaalsContact OD1-N 3.13Å |
| 495 | T | 52.6 | Low | 68.8 | Low | 65 Ų | 65 | 69 Ų | 69 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -6.9 | -170.5 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | D492 L497 | D492-T495 VanDerWaalsContact CG-OG1 3.3Å; D492-T495 PolarHBondContact O-N 2.97Å; D492-T495 WeakPolarHBondContact OD2-CG2 3.48Å; D492-T495 PolarHBondContact OD2-OG1 3.41Å; T495-L497 PolarHBondContact O-N 3.09Å; T495-L497 PolarHBondContact OG1-N 2.78Å |
| 496 | S | 49.4 | Very low | 68.9 | Low | 121 Ų | 121 | 67.3 Ų | 67.3 | 85% | 0.846 | 39% | 0.388 | S | S | * | . | trans | 53.1 | 18.5 | -171.1 | 75.2 | 0 | 0 | 0 | 0 | 115.2 | D492 | D492-S496 PolarHBondContact O-N 2.7Š| ||
| 497 | L | 46.2 | Very low | 69.1 | Low | 122 Ų | 122 | 71.3 Ų | 71.3 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | trans | -96.7 | 139.6 | 175.1 | -72.2 | 161.6 | 0 | 0 | 0 | 109.7 | T495 A499 | T495-L497 PolarHBondContact O-N 3.09Å; T495-L497 PolarHBondContact OG1-N 2.78Å; L497-A499 PolarHBondContact O-N 3.22Å | ||
| 498 | T | 60.9 | Low | 69.3 | Low | 95 Ų | 95 | 70.9 Ų | 70.9 | 58% | 0.583 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 112.7 | 174.4 | 40.4 | 0 | 0 | 0 | 0 | 110.2 | V489 | V489-T498 HydrophobicContact CG1-CG2 4.39Å |
| 499 | A | 61.8 | Low | 69.7 | Low | 48 Ų | 48 | 74.5 Ų | 74.5 | 40% | 0.397 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F490 L497 | F490-A499 PolarHBondContact N-O 3.18Å; F490-A499 PolarHBondContact O-N 2.93Å; L497-A499 PolarHBondContact O-N 3.22Å |
| 500 | T | 73.2 | Confident | 70.1 | Confident | 82 Ų | 82 | 74 Ų | 74 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.2 | 177 | 60.2 | 0 | 0 | 0 | 0 | 111.5 | A488 V489 | A488-T500 CarbonylContact O-C 3.56Å; A488-T500 WeakPolarHBondContact O-CA 3.35Å; V489-T500 HydrophobicContact CG1-CG2 4.46Å; V489-T500 HydrophobicContact CG2-CG2 4.21Å |
| 501 | R | 72.9 | Confident | 70.3 | Confident | 169 Ų | 169 | 76.3 Ų | 76.3 | 64% | 0.638 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.2 | 178.6 | -169.4 | 177.9 | -179.8 | 149.7 | 1.8 | 111.2 | L487 A488 F490 L503 | L487-R501 CarbonylContact C-O 3.42Å; L487-R501 VanDerWaalsContact CA-O 3.3Å; L487-R501 WeakPolarHBondContact CA-O 3.46Å; A488-R501 PolarHBondContact N-O 2.82Å; A488-R501 PolarHBondContact O-N 3.44Å; F490-R501 HydrophobicContact CE2-CB 3.87Å; R501-L503 PolarHBondContact O-N 3.03Å |
| 502 | P | 76.1 | Confident | 70.9 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.2 | 177.7 | 27.2 | -33.8 | 0 | 0 | 0 | 111.6 | L487 | L487-P502 HydrophobicContact CD2-CB 4.16Å |
| 503 | L | 78.4 | Confident | 71.1 | Confident | 24 Ų | 24 | 83 Ų | 83 | 13% | 0.126 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -39.9 | 168.8 | -92.6 | 71.2 | 0 | 0 | 0 | 111.1 | R420 V421 W435 F447 V486 A488 R501 | R420-L503 WeakPolarHBondContact CB-O 3.3Å; V421-L503 HydrophobicContact CG2-CB 4.46Å; W435-L503 HydrophobicContact CG-CD2 4.28Å; F447-L503 HydrophobicContact CD1-CD2 4.17Å; F447-L503 HydrophobicContact CE1-CD1 4.43Å; F447-L503 HydrophobicContact CE1-CD2 3.74Å; V486-L503 HydrophobicContact CB-CB 4.41Å; V486-L503 HydrophobicContact CG1-CB 4.41Å; V486-L503 HydrophobicContact CG1-CD2 4.45Å; V486-L503 PolarHBondContact O-N 3.34Å; A488-L503 HydrophobicContact CB-CD1 3.43Å; A488-L503 VanDerWaalsContact CB-CD1 3.43Å; R501-L503 PolarHBondContact O-N 3.03Å |
| 504 | G | 79.6 | Confident | 70.9 | Confident | 22 Ų | 22 | 85.6 Ų | 85.6 | 23% | 0.227 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V486 | V486-G504 PolarHBondContact N-O 2.9Å; V486-G504 PolarHBondContact O-N 2.8Å |
| 505 | C | 84.5 | Confident | 70.6 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 49% | 0.493 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 159.2 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | L484 C485 | L484-C505 CarbonylContact O-C 3.4Å; L484-C505 WeakPolarHBondContact O-CA 3.23Å; L484-C505 VanDerWaalsContact O-CB 3.29Å; L484-C505 WeakPolarHBondContact O-CB 3.49Å; C485-C505 HydrophobicContact CB-CB 4.06Å; C485-C505 WeakPolarHBondContact CB-SG 3.5Å; C485-C505 WeakPolarHBondContact SG-CB 3.35Å; C485-C505 CovalentContact SG-SG 2.04Å; C485-C505 PolarHBondContact SG-SG 3.43Å |
| 506 | L | 87.1 | Confident | 70.3 | Confident | 5 Ų | 5 | 89.4 Ų | 89.4 | 3% | 0.026 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 144 | 176.3 | 68.2 | 102.7 | 0 | 0 | 0 | 110.9 | V421 L423 I433 L484 F508 | V421-L506 HydrophobicContact CB-CD2 4.06Å; V421-L506 HydrophobicContact CG1-CD2 3.46Å; V421-L506 VanDerWaalsContact CG1-CD2 3.46Å; L423-L506 HydrophobicContact CB-CD1 4.49Å; I433-L506 HydrophobicContact CD1-CD1 4.03Å; I433-L506 HydrophobicContact CD1-CD2 4.2Å; I433-L506 HydrophobicContact CG2-CD2 3.85Å; L484-L506 HydrophobicContact CB-CG 4.4Å; L484-L506 HydrophobicContact CD2-CD2 4.05Å; L484-L506 HydrophobicContact CD2-CG 4.23Å; L484-L506 PolarHBondContact N-O 2.83Å; L484-L506 PolarHBondContact O-N 2.87Å; L506-F508 HydrophobicContact CD1-CB 4.43Å; L506-F508 HydrophobicContact CD1-CD1 3.5Å; L506-F508 VanDerWaalsContact CD1-CD1 3.5Å; L506-F508 HydrophobicContact CD1-CE1 4.12Å; L506-F508 HydrophobicContact CD1-CG 4.29Å |
| 507 | S | 88.3 | Confident | 70.1 | Confident | 85 Ų | 85 | 90.2 Ų | 90.2 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 140.8 | 173.5 | -46.9 | 0 | 0 | 0 | 0 | 109.6 | Y482 D483 | Y482-S507 CarbonylContact O-C 3.6Å; Y482-S507 VanDerWaalsContact O-CA 3.28Å; Y482-S507 WeakPolarHBondContact O-CA 3.21Å; D483-S507 WeakPolarHBondContact OD1-CB 3.08Å; D483-S507 PolarHBondContact OD1-OG 2.92Å |
| 508 | F | 87.6 | Confident | 70 | Confident | 14 Ų | 14 | 93.5 Ų | 93.5 | 6% | 0.061 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 162.4 | -179.7 | 67.6 | -79.8 | 0 | 0 | 0 | 111.7 | L423 L426 A431 L476 S481 Y482 L484 L506 | L423-F508 HydrophobicContact CD2-CB 3.94Å; L423-F508 HydrophobicContact CD2-CG 4.48Å; L426-F508 HydrophobicContact CD1-CD2 3.58Å; L426-F508 HydrophobicContact CD1-CE2 3.85Å; A431-F508 HydrophobicContact CB-CD2 4.19Å; A431-F508 HydrophobicContact CB-CE2 3.41Å; A431-F508 VanDerWaalsContact CB-CE2 3.41Å; A431-F508 HydrophobicContact CB-CZ 3.72Å; L476-F508 HydrophobicContact CD1-CE2 3.71Å; L476-F508 HydrophobicContact CD1-CZ 4.1Å; S481-F508 CarbonylContact C-O 3.5Å; S481-F508 WeakPolarHBondContact CA-O 3.2Å; Y482-F508 HydrophobicContact CD2-CE2 4.23Å; Y482-F508 HydrophobicContact CD2-CZ 4.46Å; Y482-F508 HydrophobicContact CG-CE2 4.4Å; Y482-F508 HydrophobicContact CG-CZ 4.18Å; Y482-F508 PolarHBondContact N-O 2.99Å; Y482-F508 PolarHBondContact O-N 2.71Å; L484-F508 HydrophobicContact CB-CE1 4.21Å; L484-F508 HydrophobicContact CD1-CE1 4.42Å; L506-F508 HydrophobicContact CD1-CB 4.43Å; L506-F508 HydrophobicContact CD1-CD1 3.5Å; L506-F508 VanDerWaalsContact CD1-CD1 3.5Å; L506-F508 HydrophobicContact CD1-CE1 4.12Å; L506-F508 HydrophobicContact CD1-CG 4.29Å |
| 509 | T | 87.8 | Confident | 69.4 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.1 | -177.5 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | L426 R480 S481 | L426-T509 WeakPolarHBondContact CD2-O 3.47Å; R480-T509 CarbonylContact O-C 3.49Å; R480-T509 VanDerWaalsContact O-CA 3.3Å; R480-T509 WeakPolarHBondContact O-CA 3.2Å; S481-T509 PolarHBondContact OG-OG1 3.02Å |
| 510 | T | 85.6 | Confident | 68.7 | Low | 5 Ų | 5 | 98 Ų | 98 | 3% | 0.031 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 150 | -177 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | L426 L476 A477 G479 R480 Y482 | L426-T510 HydrophobicContact CD1-CG2 4.16Å; L476-T510 HydrophobicContact CB-CG2 3.83Å; L476-T510 HydrophobicContact CD1-CG2 3.72Å; L476-T510 HydrophobicContact CG-CG2 4.43Å; A477-T510 PolarHBondContact O-OG1 2.87Å; G479-T510 VanDerWaalsContact CA-O 3.26Å; G479-T510 WeakPolarHBondContact CA-O 3.3Å; G479-T510 PolarHBondContact N-O 3.49Å; G479-T510 VanDerWaalsContact N-O 3.17Å; G479-T510 PolarHBondContact N-OG1 2.79Å; G479-T510 VanDerWaalsContact N-OG1 3.09Å; R480-T510 PolarHBondContact N-OG1 3.42Å; R480-T510 PolarHBondContact O-N 2.03Å; R480-T510 PolarHBondContact O-OG1 2.9Å; Y482-T510 HydrophobicContact CD2-CG2 4.25Å; Y482-T510 HydrophobicContact CE2-CG2 3.99Å |
| 511 | D | 79.9 | Confident | 67.1 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 157.7 | 175 | -62.2 | -46.5 | 0 | 0 | 0 | 112.2 | G428 A478 G479 | G428-D511 WeakPolarHBondContact CA-O 3.32Å; A478-D511 CarbonylContact C-O 3.49Å; A478-D511 VanDerWaalsContact CA-O 3.3Å; A478-D511 WeakPolarHBondContact CA-O 3.29Å; A478-D511 VanDerWaalsContact CB-O 3.27Å; A478-D511 WeakPolarHBondContact CB-O 3.14Å; G479-D511 PolarHBondContact N-O 3.06Å |
| 512 | T | 73.4 | Confident | 66 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 66% | 0.656 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 130.6 | 174.6 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | F514 | T512-F514 PolarHBondContact O-N 3.11Š|
| 513 | E | 59 | Low | 64.7 | Low | 155 Ų | 155 | 102.2 Ų | 102.2 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -73.9 | 68.6 | 173.1 | -72.7 | -165.3 | 142.3 | 0 | 0 | 111.9 | A478 | A478-E513 HydrophobicContact CB-CG 4.27Š|
| 514 | F | 50.8 | Low | 63.1 | Low | 197 Ų | 197 | 108.9 Ų | 108.9 | 86% | 0.864 | 60% | 0.597 | S | S | * | * | trans | -148.2 | 66.3 | 174.4 | -139.8 | -89.1 | 0 | 0 | 0 | 115 | T512 | T512-F514 PolarHBondContact O-N 3.11Š| ||
| 515 | S | 47.2 | Very low | 61.7 | Low | 115 Ų | 115 | 113.4 Ų | 113.4 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -146.6 | -5.3 | 169 | 64.4 | 0 | 0 | 0 | 0 | 117.2 | ||
| 516 | Q | 47.4 | Very low | 60.1 | Low | 185 Ų | 185 | 112.2 Ų | 112.2 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -126.9 | -0 | -172.5 | -75.7 | -169.2 | -9.2 | 0 | 0 | 117.8 | ||
| 517 | C | 45 | Very low | 58.6 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 93% | 0.926 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -112.7 | 39.2 | -170.8 | -132.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 518 | Q | 43 | Very low | 57.1 | Low | 192 Ų | 192 | 112.5 Ų | 112.5 | 90% | 0.897 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -114.1 | -6 | 172.5 | -149.8 | 174.3 | 16.6 | 0 | 0 | 114.4 | ||
| 519 | A | 48.5 | Very low | 55.4 | Low | 82 Ų | 82 | 117 Ų | 117 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -95.9 | -19.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 520 | L | 46.9 | Very low | 54.1 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 81% | 0.806 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -97.5 | -12.7 | -169.4 | -118.6 | 83 | 0 | 0 | 0 | 116 | S522 | L520-S522 PolarHBondContact O-N 3.37Š|
| 521 | H | 40.9 | Very low | 53 | Low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -13 | -170 | -154.7 | 88.7 | 0 | 0 | 0 | 114.4 | ||
| 522 | S | 48.3 | Very low | 52.2 | Low | 100 Ų | 100 | 125.7 Ų | 125.7 | 70% | 0.699 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -16.6 | -173.7 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | L520 | L520-S522 PolarHBondContact O-N 3.37Š|
| 523 | H | 50.2 | Low | 51.9 | Low | 167 Ų | 167 | 125.3 Ų | 125.3 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -103.2 | -20.1 | -170.7 | -101 | -85.7 | 0 | 0 | 0 | 115.8 | ||
| 524 | F | 44 | Very low | 52.5 | Low | 165 Ų | 165 | 119.5 Ų | 119.5 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.8 | -24.6 | -167.4 | -144.9 | -97.8 | 0 | 0 | 0 | 114.8 | T528 | F524-T528 HydrophobicContact CD1-CG2 4.35Å; F524-T528 HydrophobicContact CE1-CG2 4.09Å; F524-T528 PolarHBondContact O-OG1 2.64Å |
| 525 | L | 50.8 | Low | 53.6 | Low | 117 Ų | 117 | 112.2 Ų | 112.2 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.4 | -20.3 | -178.4 | -82.5 | 143.2 | 0 | 0 | 0 | 114.1 | ||
| 526 | G | 50.3 | Low | 55 | Low | 48 Ų | 48 | 111.7 Ų | 111.7 | 50% | 0.495 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -82.1 | -36.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 527 | G | 55.3 | Low | 56.5 | Low | 39 Ų | 39 | 107.7 Ų | 107.7 | 40% | 0.402 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -79.3 | -39.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I530 | G527-I530 PolarHBondContact O-N 3.13Å |
| 528 | T | 56.9 | Low | 58.2 | Low | 57 Ų | 57 | 105.5 Ų | 105.5 | 35% | 0.35 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.9 | -37.7 | -175 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | F524 I530 I531 I532 | F524-T528 HydrophobicContact CD1-CG2 4.35Å; F524-T528 HydrophobicContact CE1-CG2 4.09Å; F524-T528 PolarHBondContact O-OG1 2.64Å; T528-I530 VanDerWaalsContact C-N 3.35Å; T528-I530 PolarHBondContact O-N 3.19Å; T528-I531 PolarHBondContact O-N 3.38Å; T528-I532 WeakPolarHBondContact O-CG1 3.47Å; T528-I532 PolarHBondContact O-N 3.45Å |
| 529 | M | 53 | Low | 59.7 | Low | 109 Ų | 109 | 98.9 Ų | 98.9 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.7 | -35.7 | 178 | -71.4 | -67 | 146.9 | 0 | 0 | 113.1 | I533 | M529-I533 WeakPolarHBondContact O-CD1 3.49Å; M529-I533 VanDerWaalsContact O-CG1 3.3Å; M529-I533 WeakPolarHBondContact O-CG1 3.49Å; M529-I533 PolarHBondContact O-N 3.49Å; M529-I533 VanDerWaalsContact O-N 3.17Å |
| 530 | I | 60.1 | Low | 61.1 | Low | 125 Ų | 125 | 98.4 Ų | 98.4 | 64% | 0.641 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 179.9 | -64.6 | 171.7 | 0 | 0 | 0 | 111 | G527 T528 G534 | G527-I530 PolarHBondContact O-N 3.13Å; T528-I530 VanDerWaalsContact C-N 3.35Å; T528-I530 PolarHBondContact O-N 3.19Å; I530-G534 PolarHBondContact O-N 3.35Å |
| 531 | I | 61.1 | Low | 62.8 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -43.1 | -179.2 | -62.4 | 172.3 | 0 | 0 | 0 | 110.9 | T528 G534 G535 | T528-I531 PolarHBondContact O-N 3.38Å; I531-G534 PolarHBondContact O-N 2.84Å; I531-G535 PolarHBondContact O-N 3.13Å |
| 532 | I | 64.8 | Low | 64.6 | Low | 98 Ų | 98 | 92 Ų | 92 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | -179.7 | -65.1 | 167 | 0 | 0 | 0 | 110.8 | T528 G534 G535 I536 | T528-I532 WeakPolarHBondContact O-CG1 3.47Å; T528-I532 PolarHBondContact O-N 3.45Å; I532-G534 PolarHBondContact O-N 3.34Å; I532-G535 PolarHBondContact O-N 3.41Å; I532-I536 HydrophobicContact CG2-CD1 4.05Å; I532-I536 WeakPolarHBondContact O-CG1 3.17Å; I532-I536 PolarHBondContact O-N 3.24Å |
| 533 | I | 67.1 | Low | 66.3 | Low | 100 Ų | 100 | 91.3 Ų | 91.3 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 178.5 | -65.5 | 168.2 | 0 | 0 | 0 | 110.8 | M529 I536 I537 | M529-I533 WeakPolarHBondContact O-CD1 3.49Å; M529-I533 VanDerWaalsContact O-CG1 3.3Å; M529-I533 WeakPolarHBondContact O-CG1 3.49Å; M529-I533 PolarHBondContact O-N 3.49Å; M529-I533 VanDerWaalsContact O-N 3.17Å; I533-I536 PolarHBondContact O-N 3.12Å; I533-I537 HydrophobicContact CG2-CD1 3.99Å; I533-I537 WeakPolarHBondContact O-CG1 3.3Å; I533-I537 PolarHBondContact O-N 3.07Å |
| 534 | G | 70.1 | Confident | 67.8 | Low | 33 Ų | 33 | 89.6 Ų | 89.6 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I530 I531 I532 I536 I537 V538 | I530-G534 PolarHBondContact O-N 3.35Å; I531-G534 PolarHBondContact O-N 2.84Å; I532-G534 PolarHBondContact O-N 3.34Å; G534-I536 PolarHBondContact O-N 3.27Å; G534-I537 PolarHBondContact O-N 3.35Å; G534-V538 WeakPolarHBondContact O-CG2 3.46Å; G534-V538 PolarHBondContact O-N 2.98Å; G534-V538 VanDerWaalsContact O-N 3.11Å |
| 535 | G | 74.3 | Confident | 69.5 | Low | 43 Ų | 43 | 85.7 Ų | 85.7 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I531 I532 I537 V538 A539 | I531-G535 PolarHBondContact O-N 3.13Å; I532-G535 PolarHBondContact O-N 3.41Å; G535-I537 VanDerWaalsContact C-N 3.34Å; G535-I537 PolarHBondContact O-N 2.93Å; G535-V538 PolarHBondContact O-N 3.02Å; G535-A539 WeakPolarHBondContact O-CB 3.27Å; G535-A539 PolarHBondContact O-N 3.18Å |
| 536 | I | 77.1 | Confident | 70.9 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 54% | 0.538 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 178.2 | -66.3 | 165.8 | 0 | 0 | 0 | 111 | I532 I533 G534 S540 | I532-I536 HydrophobicContact CG2-CD1 4.05Å; I532-I536 WeakPolarHBondContact O-CG1 3.17Å; I532-I536 PolarHBondContact O-N 3.24Å; I533-I536 PolarHBondContact O-N 3.12Å; G534-I536 PolarHBondContact O-N 3.27Å; I536-S540 WeakPolarHBondContact O-CB 3.43Å; I536-S540 PolarHBondContact O-N 3.03Å; I536-S540 PolarHBondContact O-OG 3.28Å |
| 537 | I | 77.7 | Confident | 72.3 | Confident | 101 Ų | 101 | 86.5 Ų | 86.5 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 179.2 | -66.8 | 166.6 | 0 | 0 | 0 | 110.8 | I533 G534 G535 S540 V541 | I533-I537 HydrophobicContact CG2-CD1 3.99Å; I533-I537 WeakPolarHBondContact O-CG1 3.3Å; I533-I537 PolarHBondContact O-N 3.07Å; G534-I537 PolarHBondContact O-N 3.35Å; G535-I537 VanDerWaalsContact C-N 3.34Å; G535-I537 PolarHBondContact O-N 2.93Å; I537-S540 PolarHBondContact O-N 2.81Å; I537-V541 WeakPolarHBondContact O-CG2 3.3Å; I537-V541 PolarHBondContact O-N 3.06Å |
| 538 | V | 80.6 | Confident | 73.3 | Confident | 91 Ų | 91 | 89 Ų | 89 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | -179.8 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | G534 G535 S540 V541 L542 | G534-V538 WeakPolarHBondContact O-CG2 3.46Å; G534-V538 PolarHBondContact O-N 2.98Å; G534-V538 VanDerWaalsContact O-N 3.11Å; G535-V538 PolarHBondContact O-N 3.02Å; V538-S540 VanDerWaalsContact C-N 3.34Å; V538-S540 PolarHBondContact O-N 3.3Å; V538-V541 PolarHBondContact O-N 3.17Å; V538-L542 HydrophobicContact CG1-CD1 4.14Å; V538-L542 PolarHBondContact O-N 3.33Å; V538-L542 VanDerWaalsContact O-N 3.08Å |
| 539 | A | 76.2 | Confident | 74.1 | Confident | 52 Ų | 52 | 92 Ų | 92 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | G535 V541 L542 V543 | G535-A539 WeakPolarHBondContact O-CB 3.27Å; G535-A539 PolarHBondContact O-N 3.18Å; A539-V541 PolarHBondContact O-N 3.43Å; A539-L542 PolarHBondContact O-N 3.16Å; A539-V543 WeakPolarHBondContact O-CG2 3.43Å; A539-V543 PolarHBondContact O-N 2.7Å; A539-V543 VanDerWaalsContact O-N 3.09Å |
| 540 | S | 78.1 | Confident | 75.2 | Confident | 73 Ų | 73 | 91.6 Ų | 91.6 | 51% | 0.51 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | I536 I537 V538 F544 | I536-S540 WeakPolarHBondContact O-CB 3.43Å; I536-S540 PolarHBondContact O-N 3.03Å; I536-S540 PolarHBondContact O-OG 3.28Å; I537-S540 PolarHBondContact O-N 2.81Å; V538-S540 VanDerWaalsContact C-N 3.34Å; V538-S540 PolarHBondContact O-N 3.3Å; S540-F544 PolarHBondContact O-N 3.29Å; S540-F544 VanDerWaalsContact O-N 3.16Å |
| 541 | V | 81.9 | Confident | 75.7 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | I537 V538 A539 F544 I545 | I537-V541 WeakPolarHBondContact O-CG2 3.3Å; I537-V541 PolarHBondContact O-N 3.06Å; V538-V541 PolarHBondContact O-N 3.17Å; A539-V541 PolarHBondContact O-N 3.43Å; V541-F544 PolarHBondContact O-N 3.41Å; V541-I545 HydrophobicContact CG1-CD1 3.89Å; V541-I545 HydrophobicContact CG1-CG1 4.5Å; V541-I545 WeakPolarHBondContact O-CG1 3.49Å; V541-I545 PolarHBondContact O-N 3.42Å |
| 542 | L | 78.9 | Confident | 76.1 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.2 | -83.8 | 163.5 | 0 | 0 | 0 | 112.3 | V538 A539 F544 I545 I546 | V538-L542 HydrophobicContact CG1-CD1 4.14Å; V538-L542 PolarHBondContact O-N 3.33Å; V538-L542 VanDerWaalsContact O-N 3.08Å; A539-L542 PolarHBondContact O-N 3.16Å; L542-F544 VanDerWaalsContact C-N 3.32Å; L542-F544 PolarHBondContact O-N 3.05Å; L542-I545 PolarHBondContact O-N 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 3.46Å |
| 543 | V | 83.6 | Confident | 75.9 | Confident | 85 Ų | 85 | 99.2 Ų | 99.2 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | A539 I546 I547 | A539-V543 WeakPolarHBondContact O-CG2 3.43Å; A539-V543 PolarHBondContact O-N 2.7Å; A539-V543 VanDerWaalsContact O-N 3.09Å; V543-I546 PolarHBondContact O-N 3.39Å; V543-I547 HydrophobicContact CG1-CD1 3.93Å; V543-I547 WeakPolarHBondContact O-CG1 3.45Å; V543-I547 PolarHBondContact O-N 3.36Å |
| 544 | F | 81.2 | Confident | 75.6 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 177.4 | -171.6 | -105.4 | 0 | 0 | 0 | 112.7 | S540 V541 L542 I546 I547 L548 | S540-F544 PolarHBondContact O-N 3.29Å; S540-F544 VanDerWaalsContact O-N 3.16Å; V541-F544 PolarHBondContact O-N 3.41Å; L542-F544 VanDerWaalsContact C-N 3.32Å; L542-F544 PolarHBondContact O-N 3.05Å; F544-I546 PolarHBondContact O-N 3.13Å; F544-I547 PolarHBondContact O-N 3.02Å; F544-L548 HydrophobicContact CD1-CD1 3.92Å; F544-L548 HydrophobicContact CD1-CG 4.49Å; F544-L548 HydrophobicContact CE1-CD1 3.57Å; F544-L548 HydrophobicContact CE1-CG 4.22Å; F544-L548 HydrophobicContact CZ-CD1 4.21Å; F544-L548 HydrophobicContact CZ-CG 4.48Å; F544-L548 WeakPolarHBondContact O-CG 3.41Å; F544-L548 PolarHBondContact O-N 3.46Å |
| 545 | I | 81.3 | Confident | 74.9 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 43% | 0.431 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.2 | -69 | 167.3 | 0 | 0 | 0 | 111.1 | V541 L542 I547 L548 M549 | V541-I545 HydrophobicContact CG1-CD1 3.89Å; V541-I545 HydrophobicContact CG1-CG1 4.5Å; V541-I545 WeakPolarHBondContact O-CG1 3.49Å; V541-I545 PolarHBondContact O-N 3.42Å; L542-I545 PolarHBondContact O-N 3.31Å; I545-I547 PolarHBondContact O-N 2.8Å; I545-L548 PolarHBondContact O-N 2.95Å; I545-M549 HydrophobicContact CG2-CG 4.33Å; I545-M549 VanDerWaalsContact O-CG 3.26Å; I545-M549 WeakPolarHBondContact O-CG 3.21Å; I545-M549 PolarHBondContact O-N 2.84Å |
| 546 | I | 79.2 | Confident | 73.9 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.4 | -68.9 | 165.5 | 0 | 0 | 0 | 110.9 | L542 V543 F544 L548 M549 I550 | L542-I546 WeakPolarHBondContact O-CG1 3.3Å; L542-I546 PolarHBondContact O-N 3.46Å; V543-I546 PolarHBondContact O-N 3.39Å; F544-I546 PolarHBondContact O-N 3.13Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 3.46Å; I546-M549 PolarHBondContact O-N 3.45Å; I546-I550 HydrophobicContact CG2-CD1 3.87Å; I546-I550 WeakPolarHBondContact O-CG1 3.49Å; I546-I550 PolarHBondContact O-N 2.95Å |
| 547 | I | 78.7 | Confident | 72.6 | Confident | 85 Ų | 85 | 111.4 Ų | 111.4 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.5 | -42.1 | 176.2 | -68.3 | 165.7 | 0 | 0 | 0 | 111.2 | V543 F544 I545 I550 R551 | V543-I547 HydrophobicContact CG1-CD1 3.93Å; V543-I547 WeakPolarHBondContact O-CG1 3.45Å; V543-I547 PolarHBondContact O-N 3.36Å; F544-I547 PolarHBondContact O-N 3.02Å; I545-I547 PolarHBondContact O-N 2.8Å; I547-I550 PolarHBondContact O-N 3.3Å; I547-R551 PolarHBondContact O-N 3.49Å |
| 548 | L | 77.8 | Confident | 71.1 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -43.3 | 175 | -72.8 | 176.2 | 0 | 0 | 0 | 112.3 | F544 I545 I546 I550 R551 Y552 | F544-L548 HydrophobicContact CD1-CD1 3.92Å; F544-L548 HydrophobicContact CD1-CG 4.49Å; F544-L548 HydrophobicContact CE1-CD1 3.57Å; F544-L548 HydrophobicContact CE1-CG 4.22Å; F544-L548 HydrophobicContact CZ-CD1 4.21Å; F544-L548 HydrophobicContact CZ-CG 4.48Å; F544-L548 WeakPolarHBondContact O-CG 3.41Å; F544-L548 PolarHBondContact O-N 3.46Å; I545-L548 PolarHBondContact O-N 2.95Å; I546-L548 VanDerWaalsContact C-N 3.34Å; I546-L548 PolarHBondContact O-N 3.46Å; L548-I550 VanDerWaalsContact C-N 3.34Å; L548-I550 PolarHBondContact O-N 2.85Å; L548-R551 PolarHBondContact O-N 2.91Å; L548-Y552 WeakPolarHBondContact O-CB 3.4Å; L548-Y552 PolarHBondContact O-N 3.36Å |
| 549 | M | 74.3 | Confident | 69.7 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 59% | 0.586 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.2 | -40.4 | 176.4 | -69.9 | -117.1 | 72.1 | 0 | 0 | 112.2 | I545 I546 Y552 K553 | I545-M549 HydrophobicContact CG2-CG 4.33Å; I545-M549 VanDerWaalsContact O-CG 3.26Å; I545-M549 WeakPolarHBondContact O-CG 3.21Å; I545-M549 PolarHBondContact O-N 2.84Å; I546-M549 PolarHBondContact O-N 3.45Å; M549-Y552 PolarHBondContact O-N 2.91Å; M549-K553 WeakPolarHBondContact O-CB 3.49Å; M549-K553 PolarHBondContact O-N 2.73Å |
| 550 | I | 75 | Confident | 67.8 | Low | 100 Ų | 100 | 118.2 Ų | 118.2 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.3 | -47.4 | 175.7 | -68.7 | 165 | 0 | 0 | 0 | 110.5 | I546 I547 L548 Y552 K553 V554 | I546-I550 HydrophobicContact CG2-CD1 3.87Å; I546-I550 WeakPolarHBondContact O-CG1 3.49Å; I546-I550 PolarHBondContact O-N 2.95Å; I547-I550 PolarHBondContact O-N 3.3Å; L548-I550 VanDerWaalsContact C-N 3.34Å; L548-I550 PolarHBondContact O-N 2.85Å; I550-Y552 VanDerWaalsContact C-N 3.35Å; I550-Y552 PolarHBondContact O-N 3.47Å; I550-K553 PolarHBondContact O-N 3.12Å; I550-V554 WeakPolarHBondContact O-CG2 3.37Å; I550-V554 PolarHBondContact O-N 3.36Å |
| 551 | R | 70.9 | Confident | 65.7 | Low | 194 Ų | 194 | 118.7 Ų | 118.7 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.4 | -37.7 | 177.5 | -74.7 | -159 | 173.5 | -156.9 | 0 | 112.9 | I547 L548 V554 Y555 | I547-R551 PolarHBondContact O-N 3.49Å; L548-R551 PolarHBondContact O-N 2.91Å; R551-V554 PolarHBondContact O-N 3.14Å; R551-Y555 PolarHBondContact O-N 2.85Å; R551-Y555 VanDerWaalsContact O-N 3.1Å |
| 552 | Y | 68.8 | Low | 63.5 | Low | 171 Ų | 171 | 124.8 Ų | 124.8 | 67% | 0.671 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.5 | -44.6 | 174.1 | -174.6 | -100 | 0 | 0 | 0 | 111.7 | L548 M549 I550 V554 Y555 S556 | L548-Y552 WeakPolarHBondContact O-CB 3.4Å; L548-Y552 PolarHBondContact O-N 3.36Å; M549-Y552 PolarHBondContact O-N 2.91Å; I550-Y552 VanDerWaalsContact C-N 3.35Å; I550-Y552 PolarHBondContact O-N 3.47Å; Y552-V554 VanDerWaalsContact C-N 3.33Å; Y552-V554 PolarHBondContact O-N 3.5Å; Y552-Y555 PolarHBondContact O-N 3.44Å; Y552-Y555 VanDerWaalsContact O-N 3.16Å; Y552-S556 PolarHBondContact O-N 3.48Å |
| 553 | K | 61.7 | Low | 61.3 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.2 | -33.4 | 178.5 | -165.8 | 171.8 | -175.1 | 176.2 | 0 | 113.2 | M549 I550 S556 | M549-K553 WeakPolarHBondContact O-CB 3.49Å; M549-K553 PolarHBondContact O-N 2.73Å; I550-K553 PolarHBondContact O-N 3.12Å; K553-S556 WeakPolarHBondContact CA-OG 3.44Å; K553-S556 PolarHBondContact O-OG 3.29Å |
| 554 | V | 59.5 | Low | 58.9 | Low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.4 | -39.6 | 172.7 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | I550 R551 Y552 | I550-V554 WeakPolarHBondContact O-CG2 3.37Å; I550-V554 PolarHBondContact O-N 3.36Å; R551-V554 PolarHBondContact O-N 3.14Å; Y552-V554 VanDerWaalsContact C-N 3.33Å; Y552-V554 PolarHBondContact O-N 3.5Å |
| 555 | Y | 55.6 | Low | 56.6 | Low | 197 Ų | 197 | 127.7 Ų | 127.7 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.3 | -34.8 | 176.8 | -122.2 | -91.8 | 0 | 0 | 0 | 113.1 | R551 Y552 H557 | R551-Y555 PolarHBondContact O-N 2.85Å; R551-Y555 VanDerWaalsContact O-N 3.1Å; Y552-Y555 PolarHBondContact O-N 3.44Å; Y552-Y555 VanDerWaalsContact O-N 3.16Å; Y555-H557 PolarHBondContact O-N 2.94Å |
| 556 | S | 53 | Low | 54.3 | Low | 69 Ų | 69 | 130.8 Ų | 130.8 | 48% | 0.483 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -69.6 | -16.8 | -179.7 | 64.9 | 0 | 0 | 0 | 0 | 114.1 | Y552 K553 | Y552-S556 PolarHBondContact O-N 3.48Å; K553-S556 WeakPolarHBondContact CA-OG 3.44Å; K553-S556 PolarHBondContact O-OG 3.29Å |
| 557 | H | 50.3 | Low | 52.2 | Low | 165 Ų | 165 | 133.8 Ų | 133.8 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 2 | -173.9 | -127.4 | -68.8 | 0 | 0 | 0 | 114.8 | Y555 | Y555-H557 PolarHBondContact O-N 2.94Š|
| 558 | Q | 46.9 | Very low | 49.9 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 5.9 | -178.5 | -115.2 | -178.1 | 3.6 | 0 | 0 | 114.9 | ||
| 559 | G | 50.5 | Low | 47.8 | Very low | 58 Ų | 58 | 133.3 Ų | 133.3 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -142.4 | 69.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 560 | T | 36.2 | Very low | 45.7 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | trans | -175.3 | 137.2 | 150.8 | 31.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 561 | G | 34.3 | Very low | 43.8 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 141.7 | 30.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 562 | H | 35.2 | Very low | 42.5 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | -80.8 | 130.7 | 165.1 | -107.7 | -18 | 0 | 0 | 0 | 110.9 | ||||
| 563 | G | 33.6 | Very low | 40.5 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 140.8 | 85.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 564 | K | 33.2 | Very low | 39.9 | Very low | 219 Ų | 219 | 131 Ų | 131 | 95% | 0.952 | 78% | 0.78 | S | S | * | * | 172.6 | 154 | 111 | -92.7 | 174.2 | -179 | 179.6 | 0 | 112.1 | |||||
| 565 | A | 33.6 | Very low | 38.7 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -92.6 | 157.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 566 | T | 33.1 | Very low | 37.7 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -144.9 | 152.1 | 135.6 | -45 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 567 | I | 33.8 | Very low | 36.7 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -112.5 | 139.1 | -160.5 | -65.5 | 166.2 | 0 | 0 | 0 | 112 | ||||
| 568 | A | 31.7 | Very low | 35.9 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 145.7 | 136.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 569 | G | 32.5 | Very low | 35.3 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | -176.1 | 142.8 | -10.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 570 | T | 30.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | 46.3 | 96.8 | 159.2 | 42.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 571 | A | 33.8 | Very low | 34 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | 30.5 | 159.2 | 110.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 572 | P | 43.8 | Very low | 33.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -137.9 | 170.7 | -22.9 | 34.4 | -13.9 | 0 | 0 | 0 | 116.9 | ||||
| 573 | R | 28.1 | Very low | 33.7 | Very low | 237 Ų | 237 | 126.8 Ų | 126.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -26.5 | 172.9 | 144.8 | -106.9 | -178.8 | -174 | 176.6 | 2.2 | 117.4 | ||||
| 574 | P | 48.3 | Very low | 33.6 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | cis | -146.2 | -167.7 | 6.8 | 36.4 | -12.8 | 0 | 0 | 0 | 117.6 | ||||
| 575 | Q | 34 | Very low | 33.5 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 75.9 | 151.8 | 143.1 | -87.1 | 165.3 | 4.7 | 0 | 0 | 118.5 | ||||
| 576 | S | 34.5 | Very low | 33.2 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | cis | -162.9 | 157.9 | -1.1 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 577 | N | 32.5 | Very low | 33 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | 48.9 | 141.9 | 144.3 | -57 | -6.9 | 0 | 0 | 0 | 120.3 | ||||
| 578 | G | 33.4 | Very low | 33.9 | Very low | 62 Ų | 62 | 124.6 Ų | 124.6 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | cis | 151.9 | 167.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 579 | Q | 34.1 | Very low | 33.8 | Very low | 208 Ų | 208 | 128.7 Ų | 128.7 | 97% | 0.972 | 76% | 0.763 | S | S | * | * | trans | 59.3 | 140.6 | 167.6 | -64.6 | 167.1 | -46.4 | 0 | 0 | 117.3 | ||||
| 580 | G | 30.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | cis | 150.5 | 152.3 | -0 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 581 | G | 29.4 | Very low | 33.4 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 89.6 | 117.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 582 | S | 31.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | 73.7 | 133.5 | 74.8 | -72.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 583 | Q | 32.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | cis | -163.2 | 153.1 | 0.2 | -122.9 | 177.5 | -19.4 | 0 | 0 | 108.2 | ||||
| 584 | V | 30.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | 43 | 125.9 | 129 | 175.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 585 | Q | 30.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | -174.8 | 152 | 65.6 | -149.3 | 146.3 | 9.1 | 0 | 0 | 114 | |||||
| 586 | V | 29.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | trans | 62.9 | 104.9 | 145.4 | 161.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 587 | L | 27.7 | Very low | 30.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 31.4 | 163.5 | 103.2 | -69.1 | 157.4 | 0 | 0 | 0 | 119.9 | |||||
| 588 | P | 52.3 | Low | 30.1 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 60% | 0.604 | 76% | 0.755 | S | S | * | * | cis | -133.5 | 174.3 | -36.1 | 37.8 | -22.8 | 0 | 0 | 0 | 112.5 | ||||
| 589 | H | 29.3 | Very low | 29.9 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | -169 | 167.8 | 129.8 | -102.5 | -41.5 | 0 | 0 | 0 | 113.3 | |||||
| 590 | S | 27.7 | Very low | 29.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | trans | -106.5 | 166.4 | -155.2 | -50.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 591 | A | 28.8 | Very low | 29.5 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 82.5 | 103 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 592 | S | 28.9 | Very low | 29.5 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | 104.4 | 147.6 | 112.5 | 78.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 593 | K | 26.4 | Very low | 29.4 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | 76.3 | 104 | 160.2 | -84.1 | -175.4 | 168.7 | 179.2 | 0 | 120.7 | ||||
| 594 | M | 25.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | 63.5 | 142.7 | 113 | -73.6 | 175.8 | 167.6 | 0 | 0 | 120.8 | |||||
| 595 | T | 27.2 | Very low | 29.9 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | 66.6 | 139.7 | 152.5 | 42.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 596 | D | 25.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -160.8 | -172.2 | -5.6 | -161.8 | -4.2 | 0 | 0 | 0 | 107.8 | ||||
| 597 | S | 25.5 | Very low | 29.7 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 70.6 | 140.8 | 162.4 | 68 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 598 | Q | 26.9 | Very low | 29.6 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | 172 | 178.7 | -23.2 | -115.5 | 171.4 | -15.3 | 0 | 0 | 105.7 | ||||
| 599 | D | 28 | Very low | 28.3 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 69.2 | 135.5 | 166.2 | -57.9 | -20 | 0 | 0 | 0 | 116 | ||||
| 600 | E | 27.3 | Very low | 28.4 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | cis | -144.5 | 169.7 | 6.7 | -80.1 | -146.4 | 114.1 | 0 | 0 | 108.7 | ||||
| 601 | Q | 28.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | cis | -161.3 | 148.3 | -0.4 | -128.3 | -167.6 | 51.5 | 0 | 0 | 112.3 | ||||
| 602 | V | 29.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | trans | 66.7 | 143.6 | 130.7 | 162 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 603 | L | 29.1 | Very low | 29 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 80.1 | 100.2 | 160.6 | -83.3 | 160 | 0 | 0 | 0 | 122.4 | ||||
| 604 | L | 26.7 | Very low | 29 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -78.2 | -179.6 | 146.1 | -74.1 | 164.9 | 0 | 0 | 0 | 110.6 | ||||
| 605 | P | 48.5 | Very low | 29.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -131.4 | 175.6 | -4.3 | 36.3 | -18.2 | 0 | 0 | 0 | 115 | ||||
| 606 | S | 27.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | 167.3 | 111.1 | 128 | -77.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 607 | R | 27.3 | Very low | 29.1 | Very low | 244 Ų | 244 | 137.5 Ų | 137.5 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | 46.6 | 123.5 | 122 | -152.7 | 172.2 | -172.1 | 165.7 | 2.4 | 122.9 | |||||
| 608 | A | 26.1 | Very low | 29.2 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | 90.2 | 114.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 609 | M | 24.9 | Very low | 29.3 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 93% | 0.926 | 77% | 0.769 | S | S | * | * | 69 | 129.8 | 129.3 | -67.4 | 164.8 | 73.9 | 0 | 0 | 121.7 | |||||
| 610 | S | 31.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -63.7 | -178.2 | 179.3 | -25.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 611 | P | 43.8 | Very low | 29.4 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -141.8 | -173.5 | 3 | 40.7 | -20.9 | 0 | 0 | 0 | 117 | ||||
| 612 | S | 26.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 100.9 | 126.9 | 140.7 | 76.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 613 | N | 26.5 | Very low | 29.1 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 89.5 | 129.5 | 141.2 | -74.3 | 1 | 0 | 0 | 0 | 124.4 | ||||
| 614 | T | 27.1 | Very low | 29 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | 91.1 | 124.2 | 143.5 | 39.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 615 | T | 27.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | 75.6 | 122.7 | 145.2 | 50 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 616 | K | 26.8 | Very low | 27.9 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | 62.8 | 129.3 | 128.8 | -69.3 | -173.4 | 178.9 | -171.5 | 0 | 117.6 | |||||
| 617 | D | 27 | Very low | 27.8 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | cis | -158.5 | 151.1 | 29 | -82.9 | -47.2 | 0 | 0 | 0 | 109.7 | ||||
| 618 | T | 27.7 | Very low | 27.8 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -130.6 | 109.5 | 162.1 | -35.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 619 | V | 28.2 | Very low | 27.9 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 124.5 | 168 | 173.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 620 | A | 28.9 | Very low | 27.7 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -122.5 | 126.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 621 | L | 27.5 | Very low | 27.6 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 121.9 | 165.8 | -67.5 | 157.2 | 0 | 0 | 0 | 106.4 | ||||
| 622 | V | 26.7 | Very low | 26.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | 57.5 | 96.8 | 83.7 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 623 | E | 26.4 | Very low | 26.7 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | trans | -145 | 155.5 | 131.6 | -123.7 | 171.1 | -164 | 0 | 0 | 108.5 | ||||
| 624 | E | 26 | Very low | 26.9 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -134.2 | 131.9 | -154.1 | 175 | 179.3 | -156.5 | 0 | 0 | 110 | ||||
| 625 | E | 26.1 | Very low | 26.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -176.5 | 134.7 | 126.2 | -102.6 | -158.6 | 127 | 0 | 0 | 114.5 | |||||
| 626 | R | 25.7 | Very low | 27 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | 45.9 | 107.6 | 147.1 | -76.1 | 177.2 | 135.5 | 143.7 | -7.3 | 121.8 | E628 | R626-E628 IonicContact CZ-OE1 3.98Å; R626-E628 IonicContact NE-OE1 2.68Å; R626-E628 PolarHBondContact NE-OE1 3.02Å; R626-E628 VanDerWaalsContact NE-OE1 3.17Å; R626-E628 IonicContact NH2-OE1 3.11Å; R626-E628 PolarHBondContact NH2-OE1 3.25Å | ||
| 627 | S | 26.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -113.8 | 126.3 | 132.5 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 628 | E | 26.9 | Very low | 27.3 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -98.3 | 109.4 | 168.8 | -76 | 179.8 | -170 | 0 | 0 | 108.8 | R626 | R626-E628 IonicContact CZ-OE1 3.98Å; R626-E628 IonicContact NE-OE1 2.68Å; R626-E628 PolarHBondContact NE-OE1 3.02Å; R626-E628 VanDerWaalsContact NE-OE1 3.17Å; R626-E628 IonicContact NH2-OE1 3.11Å; R626-E628 PolarHBondContact NH2-OE1 3.25Å | ||
| 629 | Q | 27.4 | Very low | 27.4 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -135.7 | 115 | 168.8 | -130.7 | 173 | 8.2 | 0 | 0 | 109.7 | ||||
| 630 | C | 21.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -93.1 | 109.9 | -175.8 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 631 | V | 28.1 | Very low | 27.2 | Very low | 132 Ų | 132 | 146 Ų | 146 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -114.7 | 105.9 | 169 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | A633 | V631-A633 PolarHBondContact O-N 3.24Š| ||
| 632 | M | 25.6 | Very low | 27.2 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -75.7 | 119.7 | 170.9 | -77.5 | -76.9 | -79.6 | 0 | 0 | 109.5 | ||||
| 633 | A | 27.4 | Very low | 27.1 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -96.3 | 139.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V631 | V631-A633 PolarHBondContact O-N 3.24Š| ||
| 634 | K | 28.8 | Very low | 27.1 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 40.8 | 133.9 | 150.6 | -76.5 | -173.1 | 164.8 | -160.3 | 0 | 121 | D636 | K634-D636 IonicContact NZ-OD1 2.77Š| ||
| 635 | T | 27.8 | Very low | 27.1 | Very low | 144 Ų | 144 | 141 Ų | 141 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -122.9 | 134.2 | 137.3 | 35.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 636 | D | 29.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -86.9 | 162.4 | 175.2 | -59.7 | -58.8 | 0 | 0 | 0 | 111.2 | K634 | K634-D636 IonicContact NZ-OD1 2.77Š| ||
| 637 | S | 30.6 | Very low | 27.9 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -177.8 | 126.8 | 131.6 | 53.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 638 | L | 28.7 | Very low | 28.3 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | 65.6 | 151.2 | 144.5 | -56.5 | 162.7 | 0 | 0 | 0 | 119.6 | ||||
| 639 | A | 30 | Very low | 28.2 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | cis | -171.7 | 170.4 | -24.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 640 | N | 26.6 | Very low | 28.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 75.4 | 125.2 | 172.4 | -60.3 | 10 | 0 | 0 | 0 | 116.1 | ||||
| 641 | E | 27.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 59.2 | 134.1 | 79.6 | -69.8 | -163.7 | 146.7 | 0 | 0 | 113.1 | |||||
| 642 | E | 26 | Very low | 28.6 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | cis | -157.8 | 167.6 | 19.7 | -142 | -168.8 | 148.7 | 0 | 0 | 111.9 | ||||
| 643 | L | 25.4 | Very low | 28.6 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 37 | 115.1 | 146.4 | -130 | 72.8 | 0 | 0 | 0 | 122.2 | ||||
| 644 | L | 26.2 | Very low | 28.8 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 165 | 118.6 | 117.1 | -91 | 151 | 0 | 0 | 0 | 113.9 | |||||
| 645 | S | 27.3 | Very low | 28.7 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -103.3 | 160.9 | 150.5 | 75.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 646 | P | 40.7 | Very low | 28.6 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | -158.3 | 166.5 | 75 | 41.5 | -19.9 | 0 | 0 | 0 | 119.3 | |||||
| 647 | T | 27.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 7.5 | 129.1 | 153.1 | 56.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 648 | K | 35.1 | Very low | 28.3 | Very low | 206 Ų | 206 | 144.5 Ų | 144.5 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | 42.2 | 115.4 | 123.5 | -63.7 | 176.6 | 174.3 | 172.4 | 0 | 122.4 | |||||
| 649 | A | 25.7 | Very low | 28.2 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | -174.7 | 128.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 650 | R | 30 | Very low | 28.1 | Very low | 230 Ų | 230 | 149.8 Ų | 149.8 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | 63.5 | 87.2 | 62.1 | -143.4 | -167.6 | -152.3 | -169.3 | 7.6 | 114.8 | |||||
| 651 | F | 25.7 | Very low | 28.3 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | -175.8 | 162.3 | 118.3 | -120.4 | -99.1 | 0 | 0 | 0 | 115.5 | |||||
| 652 | S | 28.5 | Very low | 28.4 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 151.6 | -175.5 | 171.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 653 | S | 26.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | -159.2 | 142 | 127.7 | 59 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 654 | R | 30.4 | Very low | 29.4 | Very low | 217 Ų | 217 | 151.3 Ų | 151.3 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 155.4 | 177.9 | -59.9 | 167.5 | 173.5 | 168 | -5.3 | 112.3 | ||||
| 655 | V | 27.1 | Very low | 29.6 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -131.5 | 133.7 | 133 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 656 | S | 25.7 | Very low | 30 | Very low | 102 Ų | 102 | 150.3 Ų | 150.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -112.8 | 136 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 657 | V | 28.3 | Very low | 29.6 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -122.3 | 123.3 | 164.3 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 658 | E | 25.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | trans | -86.9 | 125.6 | -177.6 | -175.6 | 179.7 | 174.7 | 0 | 0 | 109.6 | ||||
| 659 | M | 27.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -129.8 | 121.8 | 159.6 | -92.1 | -162.2 | 172.4 | 0 | 0 | 110.3 | ||||
| 660 | K | 26.7 | Very low | 30.8 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -117.6 | 109.6 | -167.7 | -176.4 | -179.9 | -163.5 | 161.1 | 0 | 107.9 | ||||
| 661 | I | 31.6 | Very low | 30.8 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -121.6 | 132.2 | 179.7 | -58.7 | -176.9 | 0 | 0 | 0 | 109.6 | ||||
| 662 | R | 29.8 | Very low | 31.2 | Very low | 228 Ų | 228 | 142.8 Ų | 142.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 156 | -178 | -72.2 | 175.7 | 172.5 | 170.1 | -3.1 | 112 | ||
| 663 | P | 36.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145.8 | 157 | 33.1 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 664 | P | 37 | Very low | 32.5 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79 | 153.4 | 172.9 | 31.9 | -33.2 | 0 | 0 | 0 | 112.4 | ||
| 665 | S | 29.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 147.6 | -172.5 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 666 | V | 36.1 | Very low | 33 | Very low | 139 Ų | 139 | 142 Ų | 142 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 139 | 166.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 667 | T | 31.1 | Very low | 34.2 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -127 | 145.1 | 166.5 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 668 | K | 33 | Very low | 34.5 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -101.9 | 148 | -166.8 | -85.8 | -176.8 | 164.4 | -165.6 | 0 | 114.2 | ||||
| 669 | D | 31.4 | Very low | 36.4 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 55.5 | 172.4 | 137.9 | -59.1 | -33.3 | 0 | 0 | 0 | 119.8 | ||||
| 670 | P | 48.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -129.4 | 171.9 | -14.4 | 24.7 | -2.6 | 0 | 0 | 0 | 114.8 | ||||
| 671 | S | 31.3 | Very low | 37.4 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | 158.2 | 152.6 | 122.4 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 672 | S | 32.8 | Very low | 37.7 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -100.2 | -170 | -171.6 | 66 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 673 | P | 51.2 | Low | 38.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | cis | -145.6 | -179.3 | 21.6 | 44.7 | -23.9 | 0 | 0 | 0 | 118.5 | ||||
| 674 | M | 32.9 | Very low | 38.3 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 43.9 | 149.2 | 140.4 | -72.9 | 167 | 73.1 | 0 | 0 | 120.8 | ||||
| 675 | E | 32.2 | Very low | 38.4 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | cis | -166.5 | 166.8 | 20 | -136.5 | 176.9 | 157.6 | 0 | 0 | 113.5 | ||||
| 676 | L | 35.1 | Very low | 39 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 67.9 | 159 | 148.2 | -82 | 156.5 | 0 | 0 | 0 | 122.3 | ||||
| 677 | A | 50.2 | Low | 39.2 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 162.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 678 | E | 35.5 | Very low | 39.9 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 166.9 | 156.6 | -91.9 | 179.2 | -160.2 | 0 | 0 | 117.5 | ||||
| 679 | P | 64.3 | Low | 40.5 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 100% | 1.253 | 80% | 0.8 | S | S | * | * | cis | -101.6 | 0 | 10.3 | 40.4 | -33.5 | 0 | 0 | 0 | 116.6 |
Retrieved 679 of 679 residues in 319.7 ms
(Link to these results)