| 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 | 30 | Very low | 35.5 | Very low | 233 Ų | 233 | 137.4 Ų | 137.4 | 100% | 1.148 | 76% | 0.762 | S | S | * | * | 0 | 164.2 | 0 | -78.9 | 41.5 | 167.3 | 0 | 0 | 108 | |||||
| 2 | T | 33.2 | Very low | 35.8 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 87% | 0.865 | 74% | 0.744 | S | S | * | * | trans | -129.9 | 72.6 | 176.1 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | E | 41.1 | Very low | 36 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -128.1 | 160.3 | 160.5 | -65 | -160.4 | 145.6 | 0 | 0 | 107.2 | ||||
| 4 | G | 41 | Very low | 36.4 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 85.7 | 74.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 5 | L | 36.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | trans | -162.7 | 62.4 | 137.6 | -144.2 | 75.6 | 0 | 0 | 0 | 111.2 | ||||
| 6 | F | 36.3 | Very low | 37.3 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 43% | 0.434 | 71% | 0.707 | S | S | . | * | trans | -100.8 | 104 | 161.6 | -108.1 | -69 | 0 | 0 | 0 | 109.6 | Y8 N20 F24 | F6-Y8 PolarHBondContact O-N 2.95Å; F6-N20 HydrophobicContact CE1-CB 3.96Å; F6-N20 VanDerWaalsContact CE1-CG 3.42Å; F6-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N20 HydrophobicContact CE2-CB 3.57Å; F6-N20 HydrophobicContact CZ-CB 3.22Å; F6-N20 WeakPolarHBondContact CZ-ND2 3.33Å; F6-F24 HydrophobicContact CD2-CE2 4.4Å; F6-F24 HydrophobicContact CE2-CD2 4.27Å; F6-F24 AromaticContact CE2-CE2 3.33Å; F6-F24 HydrophobicContact CE2-CE2 3.33Å; F6-F24 AromaticContact CE2-CZ 3.88Å; F6-F24 HydrophobicContact CE2-CZ 3.88Å; F6-F24 AromaticContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CZ 4.01Å | ||
| 7 | M | 37.2 | Very low | 37.8 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | trans | -59.8 | 105.3 | 164.5 | -69.2 | -73.3 | -76.1 | 0 | 0 | 108.3 | L9 | M7-L9 PolarHBondContact O-N 2.98Š| ||
| 8 | Y | 33.1 | Very low | 38.2 | Very low | 195 Ų | 195 | 125 Ų | 125 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -64 | 117.7 | 162.1 | -118.6 | -104.1 | 0 | 0 | 0 | 107.4 | F6 | F6-Y8 PolarHBondContact O-N 2.95Š| ||
| 9 | L | 33.8 | Very low | 39 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 48% | 0.482 | 69% | 0.686 | S | S | . | * | trans | -101.8 | 120.4 | 165.3 | -88 | 171.3 | 0 | 0 | 0 | 108 | M7 G11 | M7-L9 PolarHBondContact O-N 2.98Å; L9-G11 PolarHBondContact O-N 2.96Å; L9-G11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 33.5 | Very low | 39.9 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 114.4 | 171.6 | 26.9 | -31.9 | 0 | 0 | 0 | 109 | ||
| 11 | G | 35.3 | Very low | 40.7 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.5 | 1.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | L9 | L9-G11 PolarHBondContact O-N 2.96Å; L9-G11 VanDerWaalsContact O-N 3.11Å |
| 12 | A | 39.5 | Very low | 41.9 | Very low | 67 Ų | 67 | 109.3 Ų | 109.3 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | trans | -79.8 | 132.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T14 | A12-T14 PolarHBondContact O-N 3.33Š| ||
| 13 | P | 38.1 | Very low | 43.2 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | trans | -74.7 | 92.4 | 179.7 | 29.9 | -34.3 | 0 | 0 | 0 | 111.7 | S15 | P13-S15 PolarHBondContact O-N 3.23Š| ||
| 14 | T | 42 | Very low | 44.1 | Very low | 137 Ų | 137 | 98 Ų | 98 | 84% | 0.84 | 55% | 0.552 | S | S | * | * | trans | 21.9 | 62.3 | 155.3 | 55.6 | 0 | 0 | 0 | 0 | 118.2 | A12 S16 | A12-T14 PolarHBondContact O-N 3.33Å; T14-S16 PolarHBondContact O-N 3.46Å | ||
| 15 | S | 41.1 | Very low | 45.1 | Very low | 74 Ų | 74 | 101.2 Ų | 101.2 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | trans | -64.5 | 125.6 | 144.4 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | P13 | P13-S15 PolarHBondContact O-N 3.23Š| ||
| 16 | S | 45.8 | Very low | 46.3 | Very low | 42 Ų | 42 | 101.8 Ų | 101.8 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | trans | -71 | 148.9 | -164.9 | 78.3 | 0 | 0 | 0 | 0 | 111.5 | T14 R18 D19 N20 | T14-S16 PolarHBondContact O-N 3.46Å; S16-R18 PolarHBondContact O-N 3.49Å; S16-D19 VanDerWaalsContact CB-OD2 3.29Å; S16-D19 WeakPolarHBondContact CB-OD2 3.38Å; S16-D19 PolarHBondContact N-OD2 3.36Å; S16-D19 WeakPolarHBondContact O-CB 3.41Å; S16-D19 PolarHBondContact O-N 3.46Å; S16-D19 PolarHBondContact OG-N 3Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; S16-N20 PolarHBondContact O-N 3.41Å | ||
| 17 | Q | 45.8 | Very low | 47.6 | Very low | 128 Ų | 128 | 97.4 Ų | 97.4 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -50.6 | -29 | 174.7 | -95.2 | 155.9 | -46.2 | 0 | 0 | 112.7 | N20 E21 | Q17-N20 VanDerWaalsContact O-CB 3.29Å; Q17-N20 WeakPolarHBondContact O-CB 3.36Å; Q17-E21 VanDerWaalsContact O-CG 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.16Å; Q17-E21 PolarHBondContact O-N 3.12Å |
| 18 | R | 45.3 | Very low | 48.7 | Very low | 179 Ų | 179 | 91.5 Ų | 91.5 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.6 | -40.7 | 174.4 | -173.9 | -175.6 | -61.7 | 121.7 | 2.5 | 114.1 | S16 N20 S22 | S16-R18 PolarHBondContact O-N 3.49Å; R18-N20 VanDerWaalsContact C-N 3.26Å; R18-S22 VanDerWaalsContact O-CB 3.32Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.38Å |
| 19 | D | 53.3 | Low | 49.9 | Very low | 84 Ų | 84 | 94.2 Ų | 94.2 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.9 | -55 | -50.7 | 0 | 0 | 0 | 109.6 | S16 L23 | S16-D19 VanDerWaalsContact CB-OD2 3.29Å; S16-D19 WeakPolarHBondContact CB-OD2 3.38Å; S16-D19 PolarHBondContact N-OD2 3.36Å; S16-D19 WeakPolarHBondContact O-CB 3.41Å; S16-D19 PolarHBondContact O-N 3.46Å; S16-D19 PolarHBondContact OG-N 3Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; D19-L23 PolarHBondContact O-N 3.36Å |
| 20 | N | 57.2 | Low | 51.7 | Low | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.16 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -59.5 | -57.5 | 172.9 | -87.3 | -9.1 | 0 | 0 | 0 | 112.5 | F6 S16 Q17 R18 S22 L23 F24 | F6-N20 HydrophobicContact CE1-CB 3.96Å; F6-N20 VanDerWaalsContact CE1-CG 3.42Å; F6-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N20 HydrophobicContact CE2-CB 3.57Å; F6-N20 HydrophobicContact CZ-CB 3.22Å; F6-N20 WeakPolarHBondContact CZ-ND2 3.33Å; S16-N20 PolarHBondContact O-N 3.41Å; Q17-N20 VanDerWaalsContact O-CB 3.29Å; Q17-N20 WeakPolarHBondContact O-CB 3.36Å; R18-N20 VanDerWaalsContact C-N 3.26Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact O-N 3.17Å; N20-L23 VanDerWaalsContact O-CB 3.25Å; N20-L23 WeakPolarHBondContact O-CB 3.31Å; N20-L23 PolarHBondContact O-N 3.02Å; N20-L23 VanDerWaalsContact O-N 3.08Å; N20-F24 WeakPolarHBondContact O-CD2 3.28Å; N20-F24 WeakPolarHBondContact O-CE2 3.35Å |
| 21 | E | 55.3 | Low | 53.7 | Low | 119 Ų | 119 | 91.7 Ų | 91.7 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.1 | -41.4 | 175.2 | -76.3 | 164.7 | -165.1 | 0 | 0 | 113.2 | Q17 L23 F24 N25 | Q17-E21 VanDerWaalsContact O-CG 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.16Å; Q17-E21 PolarHBondContact O-N 3.12Å; E21-L23 PolarHBondContact O-N 2.86Å; E21-F24 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-ND2 2.82Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å |
| 22 | S | 55.2 | Low | 56 | Low | 46 Ų | 46 | 91.1 Ų | 91.1 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -37.2 | 177.8 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | R18 N20 F24 N25 Y26 | R18-S22 VanDerWaalsContact O-CB 3.32Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.38Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact O-N 3.17Å; S22-F24 PolarHBondContact O-N 3.02Å; S22-N25 WeakPolarHBondContact O-CB 3.21Å; S22-N25 PolarHBondContact O-N 3.4Å; S22-Y26 WeakPolarHBondContact O-CD2 3.18Å; S22-Y26 PolarHBondContact O-N 3.23Å |
| 23 | L | 61.2 | Low | 58.2 | Low | 18 Ų | 18 | 89 Ų | 89 | 9% | 0.094 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | -178.1 | -161.9 | 142 | 0 | 0 | 0 | 112.8 | D19 N20 E21 Y26 L27 V57 C59 L74 | D19-L23 PolarHBondContact O-N 3.36Å; N20-L23 VanDerWaalsContact O-CB 3.25Å; N20-L23 WeakPolarHBondContact O-CB 3.31Å; N20-L23 PolarHBondContact O-N 3.02Å; N20-L23 VanDerWaalsContact O-N 3.08Å; E21-L23 PolarHBondContact O-N 2.86Å; L23-Y26 PolarHBondContact O-N 3.02Å; L23-L27 HydrophobicContact CD2-CD1 3.57Å; L23-L27 HydrophobicContact CD2-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-V57 HydrophobicContact CD1-CB 4.08Å; L23-V57 HydrophobicContact CD1-CG1 3.75Å; L23-C59 HydrophobicContact CD2-CB 4.49Å; L23-C59 WeakPolarHBondContact CD2-SG 3.35Å; L23-L74 HydrophobicContact CD1-CD1 4.37Å; L23-L74 HydrophobicContact CD2-CD1 4.46Å; L23-L74 HydrophobicContact CG-CD1 4.2Å |
| 24 | F | 60.8 | Low | 60.6 | Low | 77 Ų | 77 | 87.2 Ų | 87.2 | 34% | 0.338 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 175.2 | -64.7 | -91.4 | 0 | 0 | 0 | 112.4 | F6 N20 E21 S22 Y26 L27 G28 | F6-F24 HydrophobicContact CD2-CE2 4.4Å; F6-F24 HydrophobicContact CE2-CD2 4.27Å; F6-F24 AromaticContact CE2-CE2 3.33Å; F6-F24 HydrophobicContact CE2-CE2 3.33Å; F6-F24 AromaticContact CE2-CZ 3.88Å; F6-F24 HydrophobicContact CE2-CZ 3.88Å; F6-F24 AromaticContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CZ 4.01Å; N20-F24 WeakPolarHBondContact O-CD2 3.28Å; N20-F24 WeakPolarHBondContact O-CE2 3.35Å; E21-F24 PolarHBondContact O-N 3.28Å; S22-F24 PolarHBondContact O-N 3.02Å; F24-Y26 VanDerWaalsContact C-N 3.28Å; F24-Y26 PolarHBondContact O-N 3.36Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-G28 PolarHBondContact O-N 3.28Å |
| 25 | N | 60.6 | Low | 62.9 | Low | 134 Ų | 134 | 81.6 Ų | 81.6 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.1 | -37.2 | 176.1 | -76.2 | -61.7 | 0 | 0 | 0 | 112.1 | E21 S22 | E21-N25 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-ND2 2.82Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å; S22-N25 WeakPolarHBondContact O-CB 3.21Å; S22-N25 PolarHBondContact O-N 3.4Å |
| 26 | Y | 61.5 | Low | 65.3 | Low | 135 Ų | 135 | 80.3 Ų | 80.3 | 53% | 0.529 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -77.2 | -22.3 | 177.2 | -63.7 | -59.1 | 0 | 0 | 0 | 114.4 | S22 L23 F24 G79 | S22-Y26 WeakPolarHBondContact O-CD2 3.18Å; S22-Y26 PolarHBondContact O-N 3.23Å; L23-Y26 PolarHBondContact O-N 3.02Å; F24-Y26 VanDerWaalsContact C-N 3.28Å; F24-Y26 PolarHBondContact O-N 3.36Å; Y26-G79 WeakPolarHBondContact CD1-O 3.27Å |
| 27 | L | 63.7 | Low | 67.5 | Low | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -83.5 | -22.1 | -179.3 | -73.5 | 176.6 | 0 | 0 | 0 | 114.5 | L23 F24 C31 T33 V61 R72 L74 | L23-L27 HydrophobicContact CD2-CD1 3.57Å; L23-L27 HydrophobicContact CD2-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.96Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-C31 HydrophobicContact CB-CB 4.19Å; L27-C31 WeakPolarHBondContact O-CB 3.32Å; L27-C31 PolarHBondContact O-SG 3.33Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.31Å; L27-V61 HydrophobicContact CD1-CG2 3.83Å; L27-V61 HydrophobicContact CD2-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG2 3.77Å; L27-V61 HydrophobicContact CG-CG2 4.46Å; L27-R72 HydrophobicContact CD2-CB 4.35Å; L27-R72 VanDerWaalsContact CD2-CD 3.46Å; L27-R72 PolarHBondContact O-NH1 3.01Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å |
| 28 | G | 60.8 | Low | 69.8 | Low | 34 Ų | 34 | 75.7 Ų | 75.7 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | trans | 95.5 | 147.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F24 K30 C31 | F24-G28 PolarHBondContact O-N 3.28Å; G28-K30 PolarHBondContact O-N 3.37Å; G28-C31 PolarHBondContact O-N 2.98Å | ||
| 29 | R | 59.2 | Low | 72.2 | Confident | 251 Ų | 251 | 67.2 Ų | 67.2 | 95% | 0.947 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 6.1 | -163.7 | -56.9 | -173.9 | -175.4 | -174.7 | 0.8 | 118 | ||
| 30 | K | 69.8 | Low | 74.2 | Confident | 150 Ų | 150 | 66.4 Ų | 66.4 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | 8.1 | 178 | -61.7 | -171.6 | 175.6 | -173.3 | 0 | 113.4 | G28 N64 P65 | G28-K30 PolarHBondContact O-N 3.37Å; K30-N64 PolarHBondContact O-N 3.22Å; K30-N64 PolarHBondContact O-ND2 3.17Å; K30-P65 HydrophobicContact CB-CG 3.63Å; K30-P65 HydrophobicContact CD-CG 3.94Å; K30-P65 HydrophobicContact CG-CG 4.37Å |
| 31 | C | 76.7 | Confident | 76 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.142 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.7 | 176 | -67.4 | 0 | 0 | 0 | 0 | 109.6 | L27 G28 V61 K62 | L27-C31 HydrophobicContact CB-CB 4.19Å; L27-C31 WeakPolarHBondContact O-CB 3.32Å; L27-C31 PolarHBondContact O-SG 3.33Å; G28-C31 PolarHBondContact O-N 2.98Å; C31-V61 HydrophobicContact CB-CG1 3.68Å; C31-K62 WeakPolarHBondContact CA-O 3.39Å |
| 32 | I | 83.6 | Confident | 77.9 | Confident | 68 Ų | 68 | 62 Ų | 62 | 35% | 0.349 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.5 | 178.7 | -58.9 | 170.9 | 0 | 0 | 0 | 108.4 | L34 V61 K62 N64 | I32-L34 HydrophobicContact CG2-CD2 4.41Å; I32-V61 CarbonylContact O-C 3.53Å; I32-V61 WeakPolarHBondContact O-CA 3.18Å; I32-K62 HydrophobicContact CB-CB 4.36Å; I32-K62 PolarHBondContact N-O 3.47Å; I32-K62 PolarHBondContact O-N 3.25Å; I32-N64 WeakPolarHBondContact CD1-ND2 3.34Å |
| 33 | T | 86.3 | Confident | 79.7 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.129 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.1 | 172.4 | -53 | 0 | 0 | 0 | 0 | 109.5 | L27 S35 C59 | L27-T33 WeakPolarHBondContact CD1-OG1 3.31Å; T33-S35 WeakPolarHBondContact CG2-O 3.34Å; T33-C59 HydrophobicContact CG2-CB 4.23Å |
| 34 | L | 87.3 | Confident | 81.2 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 40% | 0.398 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -29.2 | 178.7 | -58.1 | 179 | 0 | 0 | 0 | 112.4 | I32 L60 K62 Y69 L130 | I32-L34 HydrophobicContact CG2-CD2 4.41Å; L34-L60 HydrophobicContact CB-CB 4.47Å; L34-L60 HydrophobicContact CB-CD2 4.23Å; L34-L60 HydrophobicContact CB-CG 4.18Å; L34-L60 HydrophobicContact CD1-CD2 4.4Å; L34-L60 HydrophobicContact CD1-CG 4.27Å; L34-L60 PolarHBondContact N-O 2.84Å; L34-K62 HydrophobicContact CD1-CB 4.3Å; L34-K62 HydrophobicContact CD2-CB 4.41Å; L34-K62 HydrophobicContact CG-CB 4.34Å; L34-Y69 HydrophobicContact CD1-CD1 4.03Å; L34-Y69 HydrophobicContact CD1-CE1 4.09Å; L34-L130 HydrophobicContact CD1-CD1 4.12Å; L34-L130 HydrophobicContact CD1-CD2 4.16Å |
| 35 | S | 90.9 | Very high | 82.5 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 151.9 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | T33 C59 L60 | T33-S35 WeakPolarHBondContact CG2-O 3.34Å; S35-C59 WeakPolarHBondContact O-CA 3.37Å; S35-L60 PolarHBondContact O-N 2.77Å |
| 36 | S | 91.5 | Very high | 83.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.8 | 173 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | A58 | S36-A58 CarbonylContact C-O 3.52Å; S36-A58 WeakPolarHBondContact CA-O 3.29Å; S36-A58 WeakPolarHBondContact CB-O 3.29Å |
| 37 | G | 92.6 | Very high | 84.6 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 157.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V57 A58 E119 | G37-V57 CarbonylContact O-C 3.51Å; G37-A58 PolarHBondContact N-O 3.02Å; G37-A58 PolarHBondContact O-N 3.28Å; G37-E119 VanDerWaalsContact CA-OE2 3.31Å; G37-E119 WeakPolarHBondContact CA-OE2 3.1Å |
| 38 | V | 93.6 | Very high | 85.4 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.1 | -175.9 | -178 | 0 | 0 | 0 | 0 | 109.7 | V57 F114 A115 E119 | V38-V57 HydrophobicContact CG2-CG2 4.32Å; V38-F114 CarbonylContact O-C 3.57Å; V38-F114 VanDerWaalsContact O-CA 3.28Å; V38-F114 WeakPolarHBondContact O-CA 3Å; V38-A115 HydrophobicContact CB-CB 3.97Å; V38-A115 HydrophobicContact CG1-CB 4.11Å; V38-A115 PolarHBondContact O-N 3.39Å; V38-E119 PolarHBondContact N-OE2 2.91Å |
| 39 | V | 95.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.2 | -175.8 | -56.1 | 0 | 0 | 0 | 0 | 115 | V41 C55 G56 A58 V73 L112 N113 F114 | V39-V41 HydrophobicContact CG2-CG2 4.25Å; V39-C55 VanDerWaalsContact O-CA 3.29Å; V39-C55 WeakPolarHBondContact O-CA 3.38Å; V39-G56 PolarHBondContact N-O 3.39Å; V39-G56 PolarHBondContact O-N 3.5Å; V39-G56 VanDerWaalsContact O-O 3.08Å; V39-A58 HydrophobicContact CB-CB 4.24Å; V39-A58 HydrophobicContact CG1-CB 3.58Å; V39-A58 HydrophobicContact CG2-CB 3.61Å; V39-V73 HydrophobicContact CG2-CG1 3.75Å; V39-V73 HydrophobicContact CG2-CG2 3.96Å; V39-L112 HydrophobicContact CG1-CB 4.5Å; V39-N113 CarbonylContact C-O 3.57Å; V39-N113 WeakPolarHBondContact CA-O 3.44Å; V39-F114 HydrophobicContact CG1-CB 4.48Å; V39-F114 HydrophobicContact CG1-CD1 3.47Å; V39-F114 VanDerWaalsContact CG1-CD1 3.47Å; V39-F114 HydrophobicContact CG1-CD2 3.86Å; V39-F114 HydrophobicContact CG1-CE1 3.41Å; V39-F114 VanDerWaalsContact CG1-CE1 3.41Å; V39-F114 HydrophobicContact CG1-CE2 3.8Å; V39-F114 HydrophobicContact CG1-CG 3.69Å; V39-F114 HydrophobicContact CG1-CZ 3.57Å |
| 40 | Q | 95.3 | Very high | 88.4 | Confident | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.8 | 157.7 | -55.3 | -179.3 | -16.3 | 0 | 0 | 108.3 | Y42 C55 N113 | Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.7Å; Q40-Y42 PolarHBondContact OE1-OH 3.16Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.13Å; Q40-C55 HydrophobicContact CB-CB 4.48Å; Q40-C55 HydrophobicContact CG-CB 4.04Å; Q40-N113 HydrophobicContact CB-CB 4.3Å; Q40-N113 PolarHBondContact N-O 2.76Å; Q40-N113 PolarHBondContact O-N 2.98Å |
| 41 | V | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.6 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | V39 R53 C54 V73 F83 V110 L112 | V39-V41 HydrophobicContact CG2-CG2 4.25Å; V41-R53 HydrophobicContact CG1-CB 4.42Å; V41-R53 PolarHBondContact O-N 3.21Å; V41-C54 PolarHBondContact N-O 3.38Å; V41-C54 PolarHBondContact O-N 3.26Å; V41-V73 HydrophobicContact CG2-CB 4.22Å; V41-V73 HydrophobicContact CG2-CG1 4.17Å; V41-V73 HydrophobicContact CG2-CG2 3.71Å; V41-F83 HydrophobicContact CG1-CD2 3.93Å; V41-F83 HydrophobicContact CG1-CE2 4.21Å; V41-F83 HydrophobicContact CG1-CG 4.14Å; V41-F83 HydrophobicContact CG2-CB 4.3Å; V41-F83 HydrophobicContact CG2-CG 4.39Å; V41-V110 HydrophobicContact CG1-CG1 4.01Å; V41-L112 HydrophobicContact CG1-CD2 4.39Å; V41-L112 HydrophobicContact CG2-CD2 3.93Å |
| 42 | Y | 94.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 147.5 | 172.1 | -71.6 | -96.9 | 0 | 0 | 0 | 110.1 | Q40 W50 T51 K52 F100 V110 G111 N113 | Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.7Å; Q40-Y42 PolarHBondContact OE1-OH 3.16Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.13Å; Y42-W50 HydrophobicContact CD1-CB 4.22Å; Y42-T51 CarbonylContact C-O 3.5Å; Y42-T51 VanDerWaalsContact CA-O 3.32Å; Y42-T51 WeakPolarHBondContact CA-O 3.47Å; Y42-K52 HydrophobicContact CD1-CB 4.06Å; Y42-K52 HydrophobicContact CE1-CB 3.66Å; Y42-K52 HydrophobicContact CE1-CG 4.4Å; Y42-F100 HydrophobicContact CD2-CE2 4.38Å; Y42-V110 WeakPolarHBondContact O-CA 3.35Å; Y42-G111 PolarHBondContact N-O 3.21Å; Y42-G111 PolarHBondContact O-N 3.13Å; Y42-N113 HydrophobicContact CD2-CB 3.95Å; Y42-N113 HydrophobicContact CE2-CB 3.79Å |
| 43 | T | 94.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 64.6 Ų | 64.6 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138.4 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | D45 T51 Q109 V110 | T43-D45 PolarHBondContact O-N 3.32Å; T43-T51 PolarHBondContact N-O 3.35Å; T43-T51 PolarHBondContact O-N 3.43Å; T43-Q109 WeakPolarHBondContact CA-O 3.46Å; T43-V110 HydrophobicContact CG2-CG1 4.49Å; T43-V110 HydrophobicContact CG2-CG2 4.19Å |
| 44 | A | 92.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 64.2 Ų | 64.2 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | S49 W50 Q109 | A44-S49 WeakPolarHBondContact CA-O 3.1Å; A44-W50 HydrophobicContact CB-CD2 4.41Å; A44-W50 HydrophobicContact CB-CE3 4.11Å; A44-W50 HydrophobicContact CB-CH2 4.35Å; A44-W50 HydrophobicContact CB-CZ3 4.07Å; A44-Q109 HydrophobicContact CB-CB 3.99Å; A44-Q109 PolarHBondContact N-O 3.48Å |
| 45 | D | 88.5 | Confident | 91.2 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | trans | -81.6 | 162 | 171.4 | -174.3 | 18.5 | 0 | 0 | 0 | 110.5 | T43 N47 G48 S49 | T43-D45 PolarHBondContact O-N 3.32Å; D45-N47 WeakPolarHBondContact CB-OD1 3.29Å; D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 PolarHBondContact OD2-ND2 2.71Å; D45-G48 PolarHBondContact O-N 3.31Å; D45-S49 PolarHBondContact N-O 2.99Å | ||
| 46 | R | 81.5 | Confident | 91.3 | Very high | 254 Ų | 254 | 62.6 Ų | 62.6 | 96% | 0.958 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.4 | -176.4 | -63.4 | -175.8 | 176.3 | -157.6 | -1.4 | 113.9 | G48 | R46-G48 VanDerWaalsContact C-N 3.29Š|
| 47 | N | 83.3 | Confident | 91.3 | Very high | 111 Ų | 111 | 61.4 Ų | 61.4 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.1 | 173 | 55.8 | 31.8 | 0 | 0 | 0 | 113.8 | D45 S49 | D45-N47 WeakPolarHBondContact CB-OD1 3.29Å; D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 PolarHBondContact OD2-ND2 2.71Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.35Å; N47-S49 PolarHBondContact OD1-OG 2.59Å |
| 48 | G | 81.8 | Confident | 91.4 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 67% | 0.67 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 81 | 10.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D45 R46 | D45-G48 PolarHBondContact O-N 3.31Å; R46-G48 VanDerWaalsContact C-N 3.29Å |
| 49 | S | 89.4 | Confident | 91.3 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | trans | -96.7 | 149.3 | 175.2 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | A44 D45 N47 | A44-S49 WeakPolarHBondContact CA-O 3.1Å; D45-S49 PolarHBondContact N-O 2.99Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.35Å; N47-S49 PolarHBondContact OD1-OG 2.59Å | ||
| 50 | W | 92.7 | Very high | 91.2 | Very high | 92 Ų | 92 | 57.8 Ų | 57.8 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.2 | 175.9 | -73.2 | 103.4 | 0 | 0 | 0 | 110.5 | Y42 A44 F100 T102 Q109 | Y42-W50 HydrophobicContact CD1-CB 4.22Å; A44-W50 HydrophobicContact CB-CD2 4.41Å; A44-W50 HydrophobicContact CB-CE3 4.11Å; A44-W50 HydrophobicContact CB-CH2 4.35Å; A44-W50 HydrophobicContact CB-CZ3 4.07Å; W50-F100 HydrophobicContact CD2-CZ 4.31Å; W50-F100 HydrophobicContact CE3-CZ 4.46Å; W50-F100 HydrophobicContact CH2-CZ 4.38Å; W50-F100 HydrophobicContact CZ2-CE1 4.14Å; W50-F100 HydrophobicContact CZ2-CZ 4.25Å; W50-F100 HydrophobicContact CZ3-CZ 4.5Å; W50-T102 HydrophobicContact CH2-CG2 3.9Å; W50-T102 HydrophobicContact CZ2-CG2 3.91Å; W50-Q109 HydrophobicContact CH2-CB 4.32Å; W50-Q109 HydrophobicContact CH2-CG 4.01Å |
| 51 | T | 92.9 | Very high | 91 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.8 | 176.2 | -49.1 | 0 | 0 | 0 | 0 | 110.4 | Y42 T43 R53 | Y42-T51 CarbonylContact C-O 3.5Å; Y42-T51 VanDerWaalsContact CA-O 3.32Å; Y42-T51 WeakPolarHBondContact CA-O 3.47Å; T43-T51 PolarHBondContact N-O 3.35Å; T43-T51 PolarHBondContact O-N 3.43Å; T51-R53 PolarHBondContact O-N 2.88Å |
| 52 | K | 93.7 | Very high | 90.7 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 122.8 | 173.6 | -175.8 | -178.5 | 173.8 | -177.9 | 0 | 109.4 | Y42 C55 | Y42-K52 HydrophobicContact CD1-CB 4.06Å; Y42-K52 HydrophobicContact CE1-CB 3.66Å; Y42-K52 HydrophobicContact CE1-CG 4.4Å; K52-C55 PolarHBondContact NZ-SG 3.36Å |
| 53 | R | 91.5 | Very high | 90.2 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -54.4 | 174.7 | -175.7 | -169.8 | -73.8 | -153.4 | 0.7 | 111.5 | V41 T51 | V41-R53 HydrophobicContact CG1-CB 4.42Å; V41-R53 PolarHBondContact O-N 3.21Å; T51-R53 PolarHBondContact O-N 2.88Å |
| 54 | C | 91.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 177.4 | -175.9 | 57 | 0 | 0 | 0 | 0 | 111.4 | V41 M82 | V41-C54 PolarHBondContact N-O 3.38Å; V41-C54 PolarHBondContact O-N 3.26Å; C54-M82 HydrophobicContact CB-CB 4.06Å |
| 55 | C | 92.9 | Very high | 88.5 | Confident | 54 Ų | 54 | 60 Ų | 60 | 37% | 0.365 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 150.6 | 170.9 | 48.1 | 0 | 0 | 0 | 0 | 109.6 | V39 Q40 K52 | V39-C55 VanDerWaalsContact O-CA 3.29Å; V39-C55 WeakPolarHBondContact O-CA 3.38Å; Q40-C55 HydrophobicContact CB-CB 4.48Å; Q40-C55 HydrophobicContact CG-CB 4.04Å; K52-C55 PolarHBondContact NZ-SG 3.36Å |
| 56 | G | 91.9 | Very high | 87.8 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -166.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V39 L74 | V39-G56 PolarHBondContact N-O 3.39Å; V39-G56 PolarHBondContact O-N 3.5Å; V39-G56 VanDerWaalsContact O-O 3.08Å; G56-L74 CarbonylContact C-O 3.59Å; G56-L74 WeakPolarHBondContact CA-O 3.31Å |
| 57 | V | 93.2 | Very high | 87.8 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 118 | 174.4 | 179.1 | 0 | 0 | 0 | 0 | 109 | L23 G37 V38 V73 L74 I76 | L23-V57 HydrophobicContact CD1-CB 4.08Å; L23-V57 HydrophobicContact CD1-CG1 3.75Å; G37-V57 CarbonylContact O-C 3.51Å; V38-V57 HydrophobicContact CG2-CG2 4.32Å; V57-V73 VanDerWaalsContact O-CA 3.31Å; V57-V73 WeakPolarHBondContact O-CA 3.38Å; V57-L74 PolarHBondContact N-O 3.4Å; V57-L74 PolarHBondContact O-N 2.69Å; V57-I76 HydrophobicContact CG2-CG2 3.55Å |
| 58 | A | 94.2 | Very high | 88 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S36 G37 V39 R72 V73 F123 | S36-A58 CarbonylContact C-O 3.52Å; S36-A58 WeakPolarHBondContact CA-O 3.29Å; S36-A58 WeakPolarHBondContact CB-O 3.29Å; G37-A58 PolarHBondContact N-O 3.02Å; G37-A58 PolarHBondContact O-N 3.28Å; V39-A58 HydrophobicContact CB-CB 4.24Å; V39-A58 HydrophobicContact CG1-CB 3.58Å; V39-A58 HydrophobicContact CG2-CB 3.61Å; A58-R72 CarbonylContact C-O 3.45Å; A58-R72 WeakPolarHBondContact CA-O 3.23Å; A58-V73 HydrophobicContact CB-CG2 4.08Å; A58-F123 HydrophobicContact CB-CE2 4.09Å; A58-F123 HydrophobicContact CB-CZ 4.28Å |
| 59 | C | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126 | 179.4 | -56.9 | 0 | 0 | 0 | 0 | 108.2 | L23 T33 S35 V61 I71 R72 L74 | L23-C59 HydrophobicContact CD2-CB 4.49Å; L23-C59 WeakPolarHBondContact CD2-SG 3.35Å; T33-C59 HydrophobicContact CG2-CB 4.23Å; S35-C59 WeakPolarHBondContact O-CA 3.37Å; C59-V61 HydrophobicContact CB-CG2 3.75Å; C59-I71 WeakPolarHBondContact O-CA 3.45Å; C59-R72 PolarHBondContact N-O 2.79Å; C59-R72 PolarHBondContact O-N 3.2Å; C59-L74 HydrophobicContact CB-CD1 4.41Å |
| 60 | L | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.7 | 168 | 179.6 | 60.3 | 0 | 0 | 0 | 107.3 | L34 S35 I71 L87 F123 A126 L127 L130 | L34-L60 HydrophobicContact CB-CB 4.47Å; L34-L60 HydrophobicContact CB-CD2 4.23Å; L34-L60 HydrophobicContact CB-CG 4.18Å; L34-L60 HydrophobicContact CD1-CD2 4.4Å; L34-L60 HydrophobicContact CD1-CG 4.27Å; L34-L60 PolarHBondContact N-O 2.84Å; S35-L60 PolarHBondContact O-N 2.77Å; L60-I71 HydrophobicContact CD1-CG1 4.22Å; L60-L87 HydrophobicContact CD1-CD1 3.52Å; L60-F123 HydrophobicContact CB-CE2 3.85Å; L60-F123 HydrophobicContact CB-CZ 3.89Å; L60-A126 HydrophobicContact CD2-CB 3.82Å; L60-L127 HydrophobicContact CD1-CD1 4.05Å; L60-L127 HydrophobicContact CD2-CB 4.43Å; L60-L130 HydrophobicContact CD1-CD2 3.95Å; L60-L130 HydrophobicContact CD2-CD2 4.17Å; L60-L130 HydrophobicContact CG-CD2 4.32Å |
| 61 | V | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.9 | -166.9 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L27 C31 I32 C59 Y69 F70 | L27-V61 HydrophobicContact CD1-CG2 3.83Å; L27-V61 HydrophobicContact CD2-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG2 3.77Å; L27-V61 HydrophobicContact CG-CG2 4.46Å; C31-V61 HydrophobicContact CB-CG1 3.68Å; I32-V61 CarbonylContact O-C 3.53Å; I32-V61 WeakPolarHBondContact O-CA 3.18Å; C59-V61 HydrophobicContact CB-CG2 3.75Å; V61-Y69 CarbonylContact O-C 3.59Å; V61-Y69 VanDerWaalsContact O-CA 3.27Å; V61-Y69 WeakPolarHBondContact O-CA 3.47Å; V61-F70 PolarHBondContact N-O 3.46Å; V61-F70 PolarHBondContact O-N 2.84Å |
| 62 | K | 88.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 46.2 Ų | 46.2 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111 | 167.3 | 177.5 | -177.6 | -178.4 | -145.1 | 0 | 109.2 | C31 I32 L34 N64 Y69 | C31-K62 WeakPolarHBondContact CA-O 3.39Å; I32-K62 HydrophobicContact CB-CB 4.36Å; I32-K62 PolarHBondContact N-O 3.47Å; I32-K62 PolarHBondContact O-N 3.25Å; L34-K62 HydrophobicContact CD1-CB 4.3Å; L34-K62 HydrophobicContact CD2-CB 4.41Å; L34-K62 HydrophobicContact CG-CB 4.34Å; K62-N64 WeakPolarHBondContact CE-OD1 3.39Å; K62-N64 PolarHBondContact NZ-OD1 3.2Å; K62-N64 VanDerWaalsContact NZ-OD1 3.09Å; K62-N64 PolarHBondContact O-N 3.42Å; K62-Y69 HydrophobicContact CB-CD1 3.65Å; K62-Y69 HydrophobicContact CB-CE1 3.55Å; K62-Y69 HydrophobicContact CD-CE1 3.82Å; K62-Y69 HydrophobicContact CG-CD1 3.91Å; K62-Y69 HydrophobicContact CG-CE1 3.39Å |
| 63 | D | 84.8 | Confident | 88.5 | Confident | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 99.4 | 174.7 | -168.8 | -50.4 | 0 | 0 | 0 | 108.6 | P65 Q66 R67 S68 F70 R72 | D63-P65 WeakPolarHBondContact OD1-CD 3.09Å; D63-Q66 HydrophobicContact CB-CB 4.19Å; D63-Q66 WeakPolarHBondContact OD1-CB 3.07Å; D63-Q66 WeakPolarHBondContact OD1-CG 3.41Å; D63-Q66 PolarHBondContact OD1-N 3.46Å; D63-Q66 PolarHBondContact OD2-NE2 2.95Å; D63-R67 WeakPolarHBondContact O-CA 3.12Å; D63-R67 PolarHBondContact O-N 3.49Å; D63-S68 PolarHBondContact N-O 2.78Å; D63-S68 PolarHBondContact O-N 3.09Å; D63-F70 HydrophobicContact CB-CD2 3.78Å; D63-F70 HydrophobicContact CB-CE2 3.7Å; D63-R72 IonicContact OD2-NH2 3.29Å |
| 64 | N | 75.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 36 Ų | 36 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -41.1 | -179.1 | -61.6 | -69.4 | 0 | 0 | 0 | 112.9 | K30 I32 K62 R67 | K30-N64 PolarHBondContact O-N 3.22Å; K30-N64 PolarHBondContact O-ND2 3.17Å; I32-N64 WeakPolarHBondContact CD1-ND2 3.34Å; K62-N64 WeakPolarHBondContact CE-OD1 3.39Å; K62-N64 PolarHBondContact NZ-OD1 3.2Å; K62-N64 VanDerWaalsContact NZ-OD1 3.09Å; K62-N64 PolarHBondContact O-N 3.42Å; N64-R67 PolarHBondContact O-N 3.08Å |
| 65 | P | 75.7 | Confident | 88.4 | Confident | 81 Ų | 81 | 36.6 Ų | 36.6 | 53% | 0.526 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -49.3 | 172.6 | -28.4 | 35.2 | 0 | 0 | 0 | 114.1 | K30 D63 R67 | K30-P65 HydrophobicContact CB-CG 3.63Å; K30-P65 HydrophobicContact CD-CG 3.94Å; K30-P65 HydrophobicContact CG-CG 4.37Å; D63-P65 WeakPolarHBondContact OD1-CD 3.09Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.9Å |
| 66 | Q | 73.9 | Confident | 87.8 | Confident | 114 Ų | 114 | 40.4 Ų | 40.4 | 53% | 0.533 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.3 | -179.9 | -61.5 | -171.8 | 77.9 | 0 | 0 | 112.7 | D63 S68 F70 | D63-Q66 HydrophobicContact CB-CB 4.19Å; D63-Q66 WeakPolarHBondContact OD1-CB 3.07Å; D63-Q66 WeakPolarHBondContact OD1-CG 3.41Å; D63-Q66 PolarHBondContact OD1-N 3.46Å; D63-Q66 PolarHBondContact OD2-NE2 2.95Å; Q66-S68 PolarHBondContact O-N 2.86Å; Q66-F70 HydrophobicContact CB-CE2 4.35Å |
| 67 | R | 81.5 | Confident | 87.3 | Confident | 225 Ų | 225 | 49.8 Ų | 49.8 | 85% | 0.849 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 26.6 | -173.9 | -60.1 | 176.1 | 171.6 | -99.2 | -1.3 | 113 | D63 N64 P65 | D63-R67 WeakPolarHBondContact O-CA 3.12Å; D63-R67 PolarHBondContact O-N 3.49Å; N64-R67 PolarHBondContact O-N 3.08Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.9Å |
| 68 | S | 87.4 | Confident | 86.6 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 175.6 | -175.5 | -159.3 | 0 | 0 | 0 | 0 | 111 | D63 Q66 E86 | D63-S68 PolarHBondContact N-O 2.78Å; D63-S68 PolarHBondContact O-N 3.09Å; Q66-S68 PolarHBondContact O-N 2.86Å; S68-E86 VanDerWaalsContact CB-OE1 3.24Å; S68-E86 WeakPolarHBondContact CB-OE1 3.33Å; S68-E86 WeakPolarHBondContact OG-CG 3.29Å; S68-E86 PolarHBondContact OG-OE1 3.2Å |
| 69 | Y | 90.1 | Very high | 85.8 | Confident | 53 Ų | 53 | 54.7 Ų | 54.7 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.2 | -179.2 | -58.1 | -94.1 | 0 | 0 | 0 | 109.4 | L34 V61 K62 L87 L130 | L34-Y69 HydrophobicContact CD1-CD1 4.03Å; L34-Y69 HydrophobicContact CD1-CE1 4.09Å; V61-Y69 CarbonylContact O-C 3.59Å; V61-Y69 VanDerWaalsContact O-CA 3.27Å; V61-Y69 WeakPolarHBondContact O-CA 3.47Å; K62-Y69 HydrophobicContact CB-CD1 3.65Å; K62-Y69 HydrophobicContact CB-CE1 3.55Å; K62-Y69 HydrophobicContact CD-CE1 3.82Å; K62-Y69 HydrophobicContact CG-CD1 3.91Å; K62-Y69 HydrophobicContact CG-CE1 3.39Å; Y69-L87 WeakPolarHBondContact O-CB 3.38Å; Y69-L87 PolarHBondContact O-N 2.85Å; Y69-L130 HydrophobicContact CD1-CD1 3.6Å; Y69-L130 HydrophobicContact CD1-CD2 3.69Å; Y69-L130 HydrophobicContact CD1-CG 4.22Å; Y69-L130 HydrophobicContact CD2-CD1 4.19Å; Y69-L130 HydrophobicContact CD2-CD2 4.44Å; Y69-L130 HydrophobicContact CE1-CD1 3.31Å; Y69-L130 HydrophobicContact CE1-CD2 4.31Å; Y69-L130 HydrophobicContact CE1-CG 4.38Å; Y69-L130 HydrophobicContact CE2-CD1 3.95Å; Y69-L130 HydrophobicContact CG-CD1 4.03Å; Y69-L130 HydrophobicContact CG-CD2 3.77Å; Y69-L130 HydrophobicContact CG-CG 4.33Å |
| 70 | F | 91.8 | Very high | 85.5 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.5 | -173.5 | -65.5 | -93.2 | 0 | 0 | 0 | 110.4 | V61 D63 Q66 R72 E84 Q85 E86 | V61-F70 PolarHBondContact N-O 3.46Å; V61-F70 PolarHBondContact O-N 2.84Å; D63-F70 HydrophobicContact CB-CD2 3.78Å; D63-F70 HydrophobicContact CB-CE2 3.7Å; Q66-F70 HydrophobicContact CB-CE2 4.35Å; F70-R72 HydrophobicContact CB-CG 4.3Å; F70-E84 HydrophobicContact CD1-CG 3.85Å; F70-Q85 CarbonylContact C-O 3.58Å; F70-Q85 VanDerWaalsContact CA-O 3.29Å; F70-Q85 WeakPolarHBondContact CA-O 3.47Å; F70-E86 HydrophobicContact CD1-CB 3.89Å; F70-E86 HydrophobicContact CD1-CG 4.15Å; F70-E86 HydrophobicContact CE1-CB 3.62Å; F70-E86 HydrophobicContact CE1-CG 3.68Å; F70-E86 HydrophobicContact CZ-CB 4.38Å; F70-E86 HydrophobicContact CZ-CG 3.94Å |
| 71 | I | 93.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 112.7 | 159.4 | -63.3 | 172.1 | 0 | 0 | 0 | 106.3 | C59 L60 E84 Q85 L87 F91 F103 L112 F123 L127 | C59-I71 WeakPolarHBondContact O-CA 3.45Å; L60-I71 HydrophobicContact CD1-CG1 4.22Å; I71-E84 CarbonylContact O-C 3.54Å; I71-E84 VanDerWaalsContact O-CA 3.31Å; I71-E84 WeakPolarHBondContact O-CA 3.45Å; I71-Q85 PolarHBondContact N-O 2.96Å; I71-Q85 PolarHBondContact O-N 2.96Å; I71-L87 HydrophobicContact CD1-CD2 3.89Å; I71-L87 HydrophobicContact CG1-CD1 4.47Å; I71-L87 HydrophobicContact CG1-CD2 4.1Å; I71-L87 HydrophobicContact CG1-CG 4.48Å; I71-F91 HydrophobicContact CD1-CZ 4.43Å; I71-F103 HydrophobicContact CD1-CE1 4.09Å; I71-F103 HydrophobicContact CD1-CZ 4.35Å; I71-L112 HydrophobicContact CG2-CD1 4.19Å; I71-F123 HydrophobicContact CD1-CE1 4.32Å; I71-F123 HydrophobicContact CG1-CE1 4.45Å; I71-F123 HydrophobicContact CG1-CZ 4.3Å; I71-F123 HydrophobicContact CG2-CZ 4.19Å; I71-L127 HydrophobicContact CD1-CD1 4.31Å; I71-L127 HydrophobicContact CD1-CD2 4.08Å |
| 72 | R | 92.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.6 | 174.6 | -72.6 | 177.3 | 175.3 | 150.3 | 12.2 | 109.4 | L27 A58 C59 D63 F70 T81 F83 E84 | L27-R72 HydrophobicContact CD2-CB 4.35Å; L27-R72 VanDerWaalsContact CD2-CD 3.46Å; L27-R72 PolarHBondContact O-NH1 3.01Å; A58-R72 CarbonylContact C-O 3.45Å; A58-R72 WeakPolarHBondContact CA-O 3.23Å; C59-R72 PolarHBondContact N-O 2.79Å; C59-R72 PolarHBondContact O-N 3.2Å; D63-R72 IonicContact OD2-NH2 3.29Å; F70-R72 HydrophobicContact CB-CG 4.3Å; R72-T81 HydrophobicContact CB-CG2 4.26Å; R72-T81 HydrophobicContact CG-CG2 4.29Å; R72-F83 CarbonylContact C-O 3.6Å; R72-F83 WeakPolarHBondContact CA-O 3.45Å; R72-E84 HydrophobicContact CG-CG 4.09Å; R72-E84 IonicContact CZ-OE2 3.62Å; R72-E84 VanDerWaalsContact CZ-OE2 3.29Å; R72-E84 IonicContact NE-OE2 3.43Å; R72-E84 PolarHBondContact NE-OE2 2.92Å; R72-E84 IonicContact NH2-OE2 3.85Å; R72-E84 PolarHBondContact NH2-OE2 3.3Å |
| 73 | V | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.2 | 170.9 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | V39 V41 V57 A58 T81 M82 F83 | V39-V73 HydrophobicContact CG2-CG1 3.75Å; V39-V73 HydrophobicContact CG2-CG2 3.96Å; V41-V73 HydrophobicContact CG2-CB 4.22Å; V41-V73 HydrophobicContact CG2-CG1 4.17Å; V41-V73 HydrophobicContact CG2-CG2 3.71Å; V57-V73 VanDerWaalsContact O-CA 3.31Å; V57-V73 WeakPolarHBondContact O-CA 3.38Å; A58-V73 HydrophobicContact CB-CG2 4.08Å; V73-T81 CarbonylContact O-C 3.59Å; V73-M82 PolarHBondContact O-N 2.92Å; V73-F83 HydrophobicContact CB-CB 4.06Å; V73-F83 HydrophobicContact CG2-CB 4.19Å; V73-F83 HydrophobicContact CG2-CD1 4.08Å; V73-F83 PolarHBondContact N-O 2.88Å; V73-F83 PolarHBondContact O-N 2.88Å |
| 74 | L | 91.3 | Very high | 86 | Confident | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136 | -177.7 | -59.5 | 109.7 | 0 | 0 | 0 | 110.8 | L23 L27 G56 V57 C59 I76 K80 | L23-L74 HydrophobicContact CD1-CD1 4.37Å; L23-L74 HydrophobicContact CD2-CD1 4.46Å; L23-L74 HydrophobicContact CG-CD1 4.2Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; G56-L74 CarbonylContact C-O 3.59Å; G56-L74 WeakPolarHBondContact CA-O 3.31Å; V57-L74 PolarHBondContact N-O 3.4Å; V57-L74 PolarHBondContact O-N 2.69Å; C59-L74 HydrophobicContact CB-CD1 4.41Å; L74-I76 PolarHBondContact O-N 3.15Å; L74-K80 CarbonylContact C-O 3.58Å; L74-K80 WeakPolarHBondContact CA-O 3.31Å |
| 75 | D | 89.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | trans | -75 | 121.2 | 168.2 | -162.8 | -41.5 | 0 | 0 | 0 | 109.2 | R77 G79 K80 M82 | D75-R77 PolarHBondContact O-N 3.26Å; D75-R77 VanDerWaalsContact OD1-CB 3.29Å; D75-R77 WeakPolarHBondContact OD1-CB 3.44Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 PolarHBondContact OD1-N 3.49Å; D75-G79 WeakPolarHBondContact O-CA 3.37Å; D75-G79 PolarHBondContact O-N 2.88Å; D75-K80 PolarHBondContact N-O 2.96Å; D75-M82 HydrophobicContact CB-CG 3.8Å | ||
| 76 | I | 80.3 | Confident | 87.6 | Confident | 134 Ų | 134 | 66.8 Ų | 66.8 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.4 | 178.5 | 59.2 | 175 | 0 | 0 | 0 | 113.3 | V57 L74 | V57-I76 HydrophobicContact CG2-CG2 3.55Å; L74-I76 PolarHBondContact O-N 3.15Å |
| 77 | R | 80.3 | Confident | 88.3 | Confident | 204 Ų | 204 | 61.5 Ų | 61.5 | 77% | 0.77 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -41.4 | -178 | -57.3 | 176.4 | 63.5 | -140.4 | -4.5 | 112.1 | D75 | D75-R77 PolarHBondContact O-N 3.26Å; D75-R77 VanDerWaalsContact OD1-CB 3.29Å; D75-R77 WeakPolarHBondContact OD1-CB 3.44Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 PolarHBondContact OD1-N 3.49Å |
| 78 | D | 78.9 | Confident | 88.5 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 60% | 0.599 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -3.6 | -173.6 | -65.6 | -22.4 | 0 | 0 | 0 | 113 | K80 | D78-K80 HydrophobicContact CB-CB 4.26Å; D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 VanDerWaalsContact O-N 3.13Å |
| 79 | G | 78.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 59 Ų | 59 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | trans | 65.2 | 10.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y26 D75 | Y26-G79 WeakPolarHBondContact CD1-O 3.27Å; D75-G79 WeakPolarHBondContact O-CA 3.37Å; D75-G79 PolarHBondContact O-N 2.88Å | ||
| 80 | K | 85.3 | Confident | 87.6 | Confident | 134 Ų | 134 | 58 Ų | 58 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | trans | -102.9 | 136.7 | -164.1 | -171.6 | 179.2 | 179 | -177.6 | 0 | 111.9 | L74 D75 D78 M82 | L74-K80 CarbonylContact C-O 3.58Å; L74-K80 WeakPolarHBondContact CA-O 3.31Å; D75-K80 PolarHBondContact N-O 2.96Å; D78-K80 HydrophobicContact CB-CB 4.26Å; D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 VanDerWaalsContact O-N 3.13Å; K80-M82 HydrophobicContact CD-SD 4.5Å; K80-M82 PolarHBondContact O-N 3.09Å | ||
| 81 | T | 89.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 115 | 168.8 | -48.5 | 0 | 0 | 0 | 0 | 110.3 | R72 V73 F83 E84 | R72-T81 HydrophobicContact CB-CG2 4.26Å; R72-T81 HydrophobicContact CG-CG2 4.29Å; V73-T81 CarbonylContact O-C 3.59Å; T81-F83 WeakPolarHBondContact CG2-O 3.38Å; T81-E84 HydrophobicContact CG2-CB 4.41Å |
| 82 | M | 91.7 | Very high | 87 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -20.9 | -179.1 | -65.1 | -60.6 | -80.5 | 0 | 0 | 113 | C54 V73 D75 K80 | C54-M82 HydrophobicContact CB-CB 4.06Å; V73-M82 PolarHBondContact O-N 2.92Å; D75-M82 HydrophobicContact CB-CG 3.8Å; K80-M82 HydrophobicContact CD-SD 4.5Å; K80-M82 PolarHBondContact O-N 3.09Å |
| 83 | F | 92.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 141.8 | 174.5 | 177.7 | -89.9 | 0 | 0 | 0 | 109.5 | V41 R72 V73 T81 Q85 F103 V110 | V41-F83 HydrophobicContact CG1-CD2 3.93Å; V41-F83 HydrophobicContact CG1-CE2 4.21Å; V41-F83 HydrophobicContact CG1-CG 4.14Å; V41-F83 HydrophobicContact CG2-CB 4.3Å; V41-F83 HydrophobicContact CG2-CG 4.39Å; R72-F83 CarbonylContact C-O 3.6Å; R72-F83 WeakPolarHBondContact CA-O 3.45Å; V73-F83 HydrophobicContact CB-CB 4.06Å; V73-F83 HydrophobicContact CG2-CB 4.19Å; V73-F83 HydrophobicContact CG2-CD1 4.08Å; V73-F83 PolarHBondContact N-O 2.88Å; V73-F83 PolarHBondContact O-N 2.88Å; T81-F83 WeakPolarHBondContact CG2-O 3.38Å; F83-Q85 HydrophobicContact CE1-CB 3.69Å; F83-Q85 HydrophobicContact CZ-CB 3.9Å; F83-F103 HydrophobicContact CE1-CZ 4.23Å; F83-F103 HydrophobicContact CZ-CE2 4.49Å; F83-F103 HydrophobicContact CZ-CZ 4.25Å; F83-V110 HydrophobicContact CE1-CG1 4.48Å; F83-V110 HydrophobicContact CE2-CG1 4.17Å; F83-V110 HydrophobicContact CE2-CG2 4.38Å; F83-V110 HydrophobicContact CZ-CG1 3.8Å; F83-V110 HydrophobicContact CZ-CG2 4.17Å |
| 84 | E | 92.5 | Very high | 86.7 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.3 | 171.9 | -176.9 | 171.4 | 62.9 | 0 | 0 | 108.5 | F70 I71 R72 T81 | F70-E84 HydrophobicContact CD1-CG 3.85Å; I71-E84 CarbonylContact O-C 3.54Å; I71-E84 VanDerWaalsContact O-CA 3.31Å; I71-E84 WeakPolarHBondContact O-CA 3.45Å; R72-E84 HydrophobicContact CG-CG 4.09Å; R72-E84 IonicContact CZ-OE2 3.62Å; R72-E84 VanDerWaalsContact CZ-OE2 3.29Å; R72-E84 IonicContact NE-OE2 3.43Å; R72-E84 PolarHBondContact NE-OE2 2.92Å; R72-E84 IonicContact NH2-OE2 3.85Å; R72-E84 PolarHBondContact NH2-OE2 3.3Å; T81-E84 HydrophobicContact CG2-CB 4.41Å |
| 85 | Q | 92.3 | Very high | 86.7 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 127.3 | 170.2 | 176.4 | 64.8 | 64.9 | 0 | 0 | 109 | F70 I71 F83 F103 D106 | F70-Q85 CarbonylContact C-O 3.58Å; F70-Q85 VanDerWaalsContact CA-O 3.29Å; F70-Q85 WeakPolarHBondContact CA-O 3.47Å; I71-Q85 PolarHBondContact N-O 2.96Å; I71-Q85 PolarHBondContact O-N 2.96Å; F83-Q85 HydrophobicContact CE1-CB 3.69Å; F83-Q85 HydrophobicContact CZ-CB 3.9Å; Q85-F103 HydrophobicContact CB-CE2 4.22Å; Q85-F103 HydrophobicContact CB-CZ 4.43Å; Q85-F103 HydrophobicContact CG-CD2 4.47Å; Q85-F103 HydrophobicContact CG-CE2 3.73Å; Q85-F103 HydrophobicContact CG-CZ 4.35Å; Q85-D106 PolarHBondContact NE2-OD1 2.79Å |
| 86 | E | 91.6 | Very high | 86.4 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 43% | 0.425 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139.7 | 169.9 | -167.6 | 178.4 | -176.5 | 0 | 0 | 111.1 | S68 F70 Y88 | S68-E86 VanDerWaalsContact CB-OE1 3.24Å; S68-E86 WeakPolarHBondContact CB-OE1 3.33Å; S68-E86 WeakPolarHBondContact OG-CG 3.29Å; S68-E86 PolarHBondContact OG-OE1 3.2Å; F70-E86 HydrophobicContact CD1-CB 3.89Å; F70-E86 HydrophobicContact CD1-CG 4.15Å; F70-E86 HydrophobicContact CE1-CB 3.62Å; F70-E86 HydrophobicContact CE1-CG 3.68Å; F70-E86 HydrophobicContact CZ-CB 4.38Å; F70-E86 HydrophobicContact CZ-CG 3.94Å; E86-Y88 PolarHBondContact O-N 3.26Å |
| 87 | L | 90 | Very high | 86.8 | Confident | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | trans | -88.5 | 88.3 | 178.9 | -63.4 | 177.5 | 0 | 0 | 0 | 111.1 | L60 Y69 I71 F91 L127 L130 R134 | L60-L87 HydrophobicContact CD1-CD1 3.52Å; Y69-L87 WeakPolarHBondContact O-CB 3.38Å; Y69-L87 PolarHBondContact O-N 2.85Å; I71-L87 HydrophobicContact CD1-CD2 3.89Å; I71-L87 HydrophobicContact CG1-CD1 4.47Å; I71-L87 HydrophobicContact CG1-CD2 4.1Å; I71-L87 HydrophobicContact CG1-CG 4.48Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 3.55Å; L87-F91 HydrophobicContact CD2-CE1 3.7Å; L87-F91 HydrophobicContact CD2-CE2 3.43Å; L87-F91 VanDerWaalsContact CD2-CE2 3.43Å; L87-F91 HydrophobicContact CD2-CG 3.74Å; L87-F91 HydrophobicContact CD2-CZ 3.48Å; L87-F91 VanDerWaalsContact CD2-CZ 3.48Å; L87-L127 HydrophobicContact CD1-CD1 3.56Å; L87-L127 HydrophobicContact CD2-CD1 3.81Å; L87-L127 HydrophobicContact CG-CD1 4.37Å; L87-L130 HydrophobicContact CD1-CD2 3.89Å; L87-R134 PolarHBondContact O-NH1 3.17Å | ||
| 88 | Y | 84.1 | Confident | 87.2 | Confident | 95 Ų | 95 | 67 Ų | 67 | 37% | 0.373 | 34% | 0.343 | S | S | . | . | trans | -59.6 | 161.9 | 176.8 | 61.2 | -96.1 | 0 | 0 | 0 | 113.9 | E86 G90 F91 R134 | E86-Y88 PolarHBondContact O-N 3.26Å; Y88-G90 PolarHBondContact O-N 3.36Å; Y88-F91 AromaticContact CD1-CD2 3.87Å; Y88-F91 HydrophobicContact CD1-CD2 3.87Å; Y88-F91 AromaticContact CE1-CD2 3.49Å; Y88-F91 HydrophobicContact CE1-CD2 3.49Å; Y88-F91 VanDerWaalsContact CE1-CD2 3.49Å; Y88-F91 AromaticContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE2-CB 4.4Å; Y88-F91 HydrophobicContact CE2-CD2 4.46Å; Y88-F91 HydrophobicContact CG-CD2 4.49Å; Y88-F91 AromaticContact CZ-CD2 3.82Å; Y88-F91 WeakPolarHBondContact O-CB 3.11Å; Y88-F91 PolarHBondContact O-N 2.9Å; Y88-F91 VanDerWaalsContact O-N 3.12Å; Y88-R134 VanDerWaalsContact C-NH1 3.3Å; Y88-R134 PolarHBondContact O-NH1 2.79Å; Y88-R134 VanDerWaalsContact O-NH1 3.15Å; Y88-R134 PolarHBondContact O-NH2 2.79Å | ||
| 89 | T | 81 | Confident | 87.8 | Confident | 90 Ų | 90 | 65.6 Ų | 65.6 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 126.3 | -178.3 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 90 | G | 78.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 66 Ų | 66 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 34.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y88 | Y88-G90 PolarHBondContact O-N 3.36Š|
| 91 | F | 86.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -50.4 | 139.9 | 167.8 | -169.9 | -94.9 | 0 | 0 | 0 | 111.1 | I71 L87 Y88 D93 F103 L127 | I71-F91 HydrophobicContact CD1-CZ 4.43Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 3.55Å; L87-F91 HydrophobicContact CD2-CE1 3.7Å; L87-F91 HydrophobicContact CD2-CE2 3.43Å; L87-F91 VanDerWaalsContact CD2-CE2 3.43Å; L87-F91 HydrophobicContact CD2-CG 3.74Å; L87-F91 HydrophobicContact CD2-CZ 3.48Å; L87-F91 VanDerWaalsContact CD2-CZ 3.48Å; Y88-F91 AromaticContact CD1-CD2 3.87Å; Y88-F91 HydrophobicContact CD1-CD2 3.87Å; Y88-F91 AromaticContact CE1-CD2 3.49Å; Y88-F91 HydrophobicContact CE1-CD2 3.49Å; Y88-F91 VanDerWaalsContact CE1-CD2 3.49Å; Y88-F91 AromaticContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE2-CB 4.4Å; Y88-F91 HydrophobicContact CE2-CD2 4.46Å; Y88-F91 HydrophobicContact CG-CD2 4.49Å; Y88-F91 AromaticContact CZ-CD2 3.82Å; Y88-F91 WeakPolarHBondContact O-CB 3.11Å; Y88-F91 PolarHBondContact O-N 2.9Å; Y88-F91 VanDerWaalsContact O-N 3.12Å; F91-D93 HydrophobicContact CE1-CB 4.03Å; F91-F103 HydrophobicContact CE1-CB 4.01Å; F91-F103 HydrophobicContact CE1-CG 4.32Å; F91-F103 HydrophobicContact CE2-CB 4.24Å; F91-F103 HydrophobicContact CE2-CD2 4.02Å; F91-F103 HydrophobicContact CE2-CG 4.23Å; F91-F103 HydrophobicContact CZ-CB 3.5Å; F91-F103 HydrophobicContact CZ-CD1 4.02Å; F91-F103 AromaticContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CE2 4.42Å; F91-F103 AromaticContact CZ-CG 3.49Å; F91-F103 HydrophobicContact CZ-CG 3.49Å; F91-F103 VanDerWaalsContact CZ-CG 3.49Å; F91-L127 HydrophobicContact CD1-CD1 4.31Å; F91-L127 HydrophobicContact CE1-CD1 4.16Å; F91-L127 HydrophobicContact CE1-CD2 3.99Å; F91-L127 HydrophobicContact CE1-CG 4.26Å | ||
| 92 | I | 85.3 | Confident | 89.1 | Confident | 114 Ų | 114 | 57 Ų | 57 | 59% | 0.585 | 29% | 0.285 | S | S | * | . | trans | -130 | 108 | 178.6 | -57.3 | 176.9 | 0 | 0 | 0 | 108.4 | ||||
| 93 | D | 89 | Confident | 89.2 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 156.1 | 162 | 47.2 | -37 | 0 | 0 | 0 | 111.5 | F91 I101 T102 H124 L127 | F91-D93 HydrophobicContact CE1-CB 4.03Å; D93-I101 HydrophobicContact CB-CG2 3.93Å; D93-T102 CarbonylContact C-O 3.5Å; D93-H124 IonicContact OD2-CD2 3.61Å; D93-H124 PolarHBondContact OD2-CD2 2.82Å; D93-H124 IonicContact OD2-CE1 2.67Å; D93-H124 IonicContact OD2-CG 2.7Å; D93-H124 IonicContact OD2-ND1 2.76Å; D93-H124 IonicContact OD2-NE2 2.61Å; D93-H124 PolarHBondContact OD2-NE2 2.83Å; D93-L127 HydrophobicContact CB-CD2 3.93Å; D93-L127 WeakPolarHBondContact OD2-CD2 3.49Å |
| 94 | T | 91.3 | Very high | 89.1 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 110.1 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | Q96 T102 | T94-Q96 HydrophobicContact CG2-CG 4.17Å; T94-Q96 PolarHBondContact O-N 2.91Å; T94-Q96 VanDerWaalsContact O-N 3.08Å; T94-T102 PolarHBondContact N-O 2.93Å; T94-T102 PolarHBondContact O-N 2.75Å; T94-T102 PolarHBondContact O-OG1 2.8Å; T94-T102 VanDerWaalsContact O-OG1 3.11Å |
| 95 | L | 90.9 | Very high | 88.9 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 95.6 | 169.8 | -165.5 | 68 | 0 | 0 | 0 | 110.1 | R97 I101 T120 | L95-R97 WeakPolarHBondContact CD1-O 3.31Å; L95-R97 VanDerWaalsContact CG-O 3.3Å; L95-R97 WeakPolarHBondContact CG-O 3.41Å; L95-I101 HydrophobicContact CD1-CG1 3.8Å; L95-T120 HydrophobicContact CD1-CG2 3.63Å |
| 96 | Q | 84.7 | Confident | 88.5 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -25 | 177.6 | -72.3 | -165.3 | -2.2 | 0 | 0 | 112.5 | T94 F100 T102 | T94-Q96 HydrophobicContact CG2-CG 4.17Å; T94-Q96 PolarHBondContact O-N 2.91Å; T94-Q96 VanDerWaalsContact O-N 3.08Å; Q96-F100 HydrophobicContact CB-CD1 4.34Å; Q96-F100 PolarHBondContact N-O 2.89Å; Q96-T102 HydrophobicContact CG-CG2 4.22Å |
| 97 | R | 88.1 | Confident | 88.2 | Confident | 141 Ų | 141 | 60.3 Ų | 60.3 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.7 | 173.9 | -53.6 | -176.6 | 175.9 | -83.9 | -2.5 | 108.7 | L95 Y99 F100 | L95-R97 WeakPolarHBondContact CD1-O 3.31Å; L95-R97 VanDerWaalsContact CG-O 3.3Å; L95-R97 WeakPolarHBondContact CG-O 3.41Å; R97-Y99 HydrophobicContact CB-CD2 4.33Å; R97-Y99 HydrophobicContact CB-CE1 4.36Å; R97-Y99 HydrophobicContact CB-CE2 4.08Å; R97-Y99 WeakPolarHBondContact CD-OH 3.43Å; R97-Y99 HydrophobicContact CG-CE2 4.49Å; R97-Y99 PolarHBondContact O-N 3.24Å; R97-F100 HydrophobicContact CB-CB 3.81Å; R97-F100 HydrophobicContact CG-CB 4.16Å; R97-F100 PolarHBondContact N-O 3.49Å; R97-F100 PolarHBondContact O-N 2.91Å |
| 98 | P | 88.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -24.9 | 178.4 | -29.4 | 37.4 | 0 | 0 | 0 | 115.4 | E117 T120 | P98-E117 HydrophobicContact CB-CB 4.41Å; P98-E117 HydrophobicContact CB-CG 3.92Å; P98-E117 VanDerWaalsContact CB-OE2 3.28Å; P98-E117 WeakPolarHBondContact CB-OE2 3.44Å; P98-T120 WeakPolarHBondContact O-CB 3.28Å; P98-T120 VanDerWaalsContact O-CG2 3.22Å; P98-T120 WeakPolarHBondContact O-CG2 3.35Å; P98-T120 PolarHBondContact O-OG1 2.98Å |
| 99 | Y | 91.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 2.1 | 177.1 | 52 | -100.4 | 0 | 0 | 0 | 114.8 | R97 N113 F114 E117 T120 | R97-Y99 HydrophobicContact CB-CD2 4.33Å; R97-Y99 HydrophobicContact CB-CE1 4.36Å; R97-Y99 HydrophobicContact CB-CE2 4.08Å; R97-Y99 WeakPolarHBondContact CD-OH 3.43Å; R97-Y99 HydrophobicContact CG-CE2 4.49Å; R97-Y99 PolarHBondContact O-N 3.24Å; Y99-N113 VanDerWaalsContact CD2-OD1 3.29Å; Y99-N113 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N113 WeakPolarHBondContact O-CA 3.05Å; Y99-F114 PolarHBondContact O-N 2.85Å; Y99-E117 HydrophobicContact CD1-CG 4.26Å; Y99-T120 WeakPolarHBondContact CA-OG1 3.43Å |
| 100 | F | 93.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 102.4 | -171.5 | -163.6 | -115 | 0 | 0 | 0 | 112.4 | Y42 W50 Q96 R97 T102 L112 N113 | Y42-F100 HydrophobicContact CD2-CE2 4.38Å; W50-F100 HydrophobicContact CD2-CZ 4.31Å; W50-F100 HydrophobicContact CE3-CZ 4.46Å; W50-F100 HydrophobicContact CH2-CZ 4.38Å; W50-F100 HydrophobicContact CZ2-CE1 4.14Å; W50-F100 HydrophobicContact CZ2-CZ 4.25Å; W50-F100 HydrophobicContact CZ3-CZ 4.5Å; Q96-F100 HydrophobicContact CB-CD1 4.34Å; Q96-F100 PolarHBondContact N-O 2.89Å; R97-F100 HydrophobicContact CB-CB 3.81Å; R97-F100 HydrophobicContact CG-CB 4.16Å; R97-F100 PolarHBondContact N-O 3.49Å; R97-F100 PolarHBondContact O-N 2.91Å; F100-T102 HydrophobicContact CD1-CG2 3.68Å; F100-T102 HydrophobicContact CE1-CG2 3.27Å; F100-T102 HydrophobicContact CZ-CG2 4.01Å; F100-L112 WeakPolarHBondContact CA-O 3.29Å; F100-N113 HydrophobicContact CD2-CB 3.74Å; F100-N113 HydrophobicContact CE2-CB 4.01Å |
| 101 | I | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 132.4 | 173.1 | -52.2 | 179.7 | 0 | 0 | 0 | 108.3 | D93 L95 G111 L112 F114 T120 F123 H124 | D93-I101 HydrophobicContact CB-CG2 3.93Å; L95-I101 HydrophobicContact CD1-CG1 3.8Å; I101-G111 CarbonylContact O-C 3.57Å; I101-G111 VanDerWaalsContact O-CA 3.31Å; I101-G111 WeakPolarHBondContact O-CA 3.5Å; I101-L112 PolarHBondContact N-O 2.84Å; I101-L112 PolarHBondContact O-N 2.79Å; I101-F114 HydrophobicContact CD1-CD2 4.47Å; I101-F114 HydrophobicContact CD1-CE2 3.63Å; I101-F114 HydrophobicContact CD1-CZ 4.15Å; I101-F114 HydrophobicContact CG1-CE2 4.03Å; I101-T120 HydrophobicContact CD1-CG2 3.94Å; I101-T120 HydrophobicContact CG1-CG2 3.69Å; I101-F123 HydrophobicContact CD1-CD1 4.06Å; I101-H124 HydrophobicContact CD1-CB 3.76Å; I101-H124 HydrophobicContact CG1-CB 4.46Å |
| 102 | T | 94.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.9 | 170.6 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | W50 D93 T94 Q96 F100 V110 | W50-T102 HydrophobicContact CH2-CG2 3.9Å; W50-T102 HydrophobicContact CZ2-CG2 3.91Å; D93-T102 CarbonylContact C-O 3.5Å; T94-T102 PolarHBondContact N-O 2.93Å; T94-T102 PolarHBondContact O-N 2.75Å; T94-T102 PolarHBondContact O-OG1 2.8Å; T94-T102 VanDerWaalsContact O-OG1 3.11Å; Q96-T102 HydrophobicContact CG-CG2 4.22Å; F100-T102 HydrophobicContact CD1-CG2 3.68Å; F100-T102 HydrophobicContact CE1-CG2 3.27Å; F100-T102 HydrophobicContact CZ-CG2 4.01Å; T102-V110 CarbonylContact C-O 3.5Å; T102-V110 VanDerWaalsContact CA-O 3.28Å; T102-V110 WeakPolarHBondContact CA-O 3.27Å |
| 103 | F | 93.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 164.7 | 174.2 | 58 | -98.6 | 0 | 0 | 0 | 110.9 | I71 F83 Q85 F91 Q109 V110 L112 | I71-F103 HydrophobicContact CD1-CE1 4.09Å; I71-F103 HydrophobicContact CD1-CZ 4.35Å; F83-F103 HydrophobicContact CE1-CZ 4.23Å; F83-F103 HydrophobicContact CZ-CE2 4.49Å; F83-F103 HydrophobicContact CZ-CZ 4.25Å; Q85-F103 HydrophobicContact CB-CE2 4.22Å; Q85-F103 HydrophobicContact CB-CZ 4.43Å; Q85-F103 HydrophobicContact CG-CD2 4.47Å; Q85-F103 HydrophobicContact CG-CE2 3.73Å; Q85-F103 HydrophobicContact CG-CZ 4.35Å; F91-F103 HydrophobicContact CE1-CB 4.01Å; F91-F103 HydrophobicContact CE1-CG 4.32Å; F91-F103 HydrophobicContact CE2-CB 4.24Å; F91-F103 HydrophobicContact CE2-CD2 4.02Å; F91-F103 HydrophobicContact CE2-CG 4.23Å; F91-F103 HydrophobicContact CZ-CB 3.5Å; F91-F103 HydrophobicContact CZ-CD1 4.02Å; F91-F103 AromaticContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CE2 4.42Å; F91-F103 AromaticContact CZ-CG 3.49Å; F91-F103 HydrophobicContact CZ-CG 3.49Å; F91-F103 VanDerWaalsContact CZ-CG 3.49Å; F103-Q109 WeakPolarHBondContact O-CG 3.24Å; F103-V110 HydrophobicContact CD2-CB 4.03Å; F103-V110 HydrophobicContact CD2-CG2 4.49Å; F103-V110 HydrophobicContact CE1-CB 4.34Å; F103-V110 HydrophobicContact CE1-CG1 4.18Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 3.92Å; F103-V110 HydrophobicContact CE2-CG2 3.9Å; F103-V110 HydrophobicContact CZ-CB 3.73Å; F103-V110 HydrophobicContact CZ-CG1 3.59Å; F103-V110 HydrophobicContact CZ-CG2 4.42Å; F103-V110 PolarHBondContact N-O 2.96Å; F103-V110 PolarHBondContact O-N 2.82Å; F103-L112 HydrophobicContact CE1-CD1 3.88Å; F103-L112 HydrophobicContact CE1-CG 3.88Å |
| 104 | S | 91.8 | Very high | 91.1 | Very high | 68 Ų | 68 | 51 Ų | 51 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 112.1 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 105 | G | 87.2 | Confident | 91.1 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | trans | -88.4 | 178.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T107 C108 | G105-T107 PolarHBondContact O-N 3.47Å; G105-C108 WeakPolarHBondContact CA-O 3.32Å; G105-C108 PolarHBondContact N-O 2.97Å | ||
| 106 | D | 83.9 | Confident | 91.1 | Very high | 131 Ų | 131 | 51 Ų | 51 | 70% | 0.701 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -60.8 | -25.7 | -168 | -50.7 | -24.1 | 0 | 0 | 0 | 114.9 | Q85 | Q85-D106 PolarHBondContact NE2-OD1 2.79Š|
| 107 | T | 84.5 | Confident | 91.4 | Very high | 132 Ų | 132 | 49.3 Ų | 49.3 | 81% | 0.81 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -133 | -16.2 | -172.3 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | G105 | G105-T107 PolarHBondContact O-N 3.47Š|
| 108 | C | 89.1 | Confident | 91.5 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -159.9 | 163.8 | -175.5 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | G105 | G105-C108 WeakPolarHBondContact CA-O 3.32Å; G105-C108 PolarHBondContact N-O 2.97Å |
| 109 | Q | 92.9 | Very high | 91.5 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.6 | 170.3 | -159.6 | 174.5 | -4.3 | 0 | 0 | 109.5 | T43 A44 W50 F103 | T43-Q109 WeakPolarHBondContact CA-O 3.46Å; A44-Q109 HydrophobicContact CB-CB 3.99Å; A44-Q109 PolarHBondContact N-O 3.48Å; W50-Q109 HydrophobicContact CH2-CB 4.32Å; W50-Q109 HydrophobicContact CH2-CG 4.01Å; F103-Q109 WeakPolarHBondContact O-CG 3.24Å |
| 110 | V | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.8 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | V41 Y42 T43 F83 T102 F103 | V41-V110 HydrophobicContact CG1-CG1 4.01Å; Y42-V110 WeakPolarHBondContact O-CA 3.35Å; T43-V110 HydrophobicContact CG2-CG1 4.49Å; T43-V110 HydrophobicContact CG2-CG2 4.19Å; F83-V110 HydrophobicContact CE1-CG1 4.48Å; F83-V110 HydrophobicContact CE2-CG1 4.17Å; F83-V110 HydrophobicContact CE2-CG2 4.38Å; F83-V110 HydrophobicContact CZ-CG1 3.8Å; F83-V110 HydrophobicContact CZ-CG2 4.17Å; T102-V110 CarbonylContact C-O 3.5Å; T102-V110 VanDerWaalsContact CA-O 3.28Å; T102-V110 WeakPolarHBondContact CA-O 3.27Å; F103-V110 HydrophobicContact CD2-CB 4.03Å; F103-V110 HydrophobicContact CD2-CG2 4.49Å; F103-V110 HydrophobicContact CE1-CB 4.34Å; F103-V110 HydrophobicContact CE1-CG1 4.18Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 3.92Å; F103-V110 HydrophobicContact CE2-CG2 3.9Å; F103-V110 HydrophobicContact CZ-CB 3.73Å; F103-V110 HydrophobicContact CZ-CG1 3.59Å; F103-V110 HydrophobicContact CZ-CG2 4.42Å; F103-V110 PolarHBondContact N-O 2.96Å; F103-V110 PolarHBondContact O-N 2.82Å |
| 111 | G | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y42 I101 | Y42-G111 PolarHBondContact N-O 3.21Å; Y42-G111 PolarHBondContact O-N 3.13Å; I101-G111 CarbonylContact O-C 3.57Å; I101-G111 VanDerWaalsContact O-CA 3.31Å; I101-G111 WeakPolarHBondContact O-CA 3.5Å |
| 112 | L | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.3 | 171.6 | -58.9 | -179.6 | 0 | 0 | 0 | 108.2 | V39 V41 I71 F100 I101 F103 F114 F123 | V39-L112 HydrophobicContact CG1-CB 4.5Å; V41-L112 HydrophobicContact CG1-CD2 4.39Å; V41-L112 HydrophobicContact CG2-CD2 3.93Å; I71-L112 HydrophobicContact CG2-CD1 4.19Å; F100-L112 WeakPolarHBondContact CA-O 3.29Å; I101-L112 PolarHBondContact N-O 2.84Å; I101-L112 PolarHBondContact O-N 2.79Å; F103-L112 HydrophobicContact CE1-CD1 3.88Å; F103-L112 HydrophobicContact CE1-CG 3.88Å; L112-F114 HydrophobicContact CB-CD2 4.24Å; L112-F114 HydrophobicContact CB-CE2 3.67Å; L112-F114 HydrophobicContact CB-CZ 4.47Å; L112-F114 HydrophobicContact CD1-CE2 4.31Å; L112-F114 HydrophobicContact CD1-CZ 4.43Å; L112-F123 HydrophobicContact CD1-CE1 4.29Å |
| 113 | N | 95.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 51.1 Ų | 51.1 | 20% | 0.198 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.6 | 173.5 | -176.1 | 56.8 | 0 | 0 | 0 | 108.8 | V39 Q40 Y42 Y99 F100 | V39-N113 CarbonylContact C-O 3.57Å; V39-N113 WeakPolarHBondContact CA-O 3.44Å; Q40-N113 HydrophobicContact CB-CB 4.3Å; Q40-N113 PolarHBondContact N-O 2.76Å; Q40-N113 PolarHBondContact O-N 2.98Å; Y42-N113 HydrophobicContact CD2-CB 3.95Å; Y42-N113 HydrophobicContact CE2-CB 3.79Å; Y99-N113 VanDerWaalsContact CD2-OD1 3.29Å; Y99-N113 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N113 WeakPolarHBondContact O-CA 3.05Å; F100-N113 HydrophobicContact CD2-CB 3.74Å; F100-N113 HydrophobicContact CE2-CB 4.01Å |
| 114 | F | 94.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 154.2 | -179.6 | -73.9 | -103.3 | 0 | 0 | 0 | 111.3 | V38 V39 Y99 I101 L112 N116 E119 T120 F123 | V38-F114 CarbonylContact O-C 3.57Å; V38-F114 VanDerWaalsContact O-CA 3.28Å; V38-F114 WeakPolarHBondContact O-CA 3Å; V39-F114 HydrophobicContact CG1-CB 4.48Å; V39-F114 HydrophobicContact CG1-CD1 3.47Å; V39-F114 VanDerWaalsContact CG1-CD1 3.47Å; V39-F114 HydrophobicContact CG1-CD2 3.86Å; V39-F114 HydrophobicContact CG1-CE1 3.41Å; V39-F114 VanDerWaalsContact CG1-CE1 3.41Å; V39-F114 HydrophobicContact CG1-CE2 3.8Å; V39-F114 HydrophobicContact CG1-CG 3.69Å; V39-F114 HydrophobicContact CG1-CZ 3.57Å; Y99-F114 PolarHBondContact O-N 2.85Å; I101-F114 HydrophobicContact CD1-CD2 4.47Å; I101-F114 HydrophobicContact CD1-CE2 3.63Å; I101-F114 HydrophobicContact CD1-CZ 4.15Å; I101-F114 HydrophobicContact CG1-CE2 4.03Å; L112-F114 HydrophobicContact CB-CD2 4.24Å; L112-F114 HydrophobicContact CB-CE2 3.67Å; L112-F114 HydrophobicContact CB-CZ 4.47Å; L112-F114 HydrophobicContact CD1-CE2 4.31Å; L112-F114 HydrophobicContact CD1-CZ 4.43Å; F114-N116 VanDerWaalsContact C-N 3.33Å; F114-E119 HydrophobicContact CD1-CB 4.17Å; F114-T120 WeakPolarHBondContact CB-OG1 3.06Å; F114-T120 HydrophobicContact CD2-CG2 3.83Å; F114-T120 HydrophobicContact CE2-CG2 4.29Å; F114-T120 HydrophobicContact CG-CG2 4.28Å; F114-T120 VanDerWaalsContact CG-OG1 3.3Å; F114-T120 WeakPolarHBondContact CG-OG1 3.27Å; F114-F123 HydrophobicContact CE1-CB 3.88Å; F114-F123 HydrophobicContact CE1-CD1 4.44Å; F114-F123 HydrophobicContact CE1-CD2 4.1Å; F114-F123 AromaticContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CZ-CB 3.81Å; F114-F123 AromaticContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD2 4.07Å; F114-F123 HydrophobicContact CZ-CE1 4.24Å; F114-F123 AromaticContact CZ-CG 3.57Å; F114-F123 HydrophobicContact CZ-CG 3.57Å |
| 115 | A | 92 | Very high | 91.1 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -73.2 | -27.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V38 | V38-A115 HydrophobicContact CB-CB 3.97Å; V38-A115 HydrophobicContact CG1-CB 4.11Å; V38-A115 PolarHBondContact O-N 3.39Å |
| 116 | N | 90.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | trans | -130.8 | 140.3 | -176.4 | -166 | 15 | 0 | 0 | 0 | 112.7 | F114 E118 E119 T120 | F114-N116 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact OD1-OE2 2.82Å; N116-E118 VanDerWaalsContact OD1-OE2 3.13Å; N116-E119 HydrophobicContact CB-CB 4.2Å; N116-E119 HydrophobicContact CB-CG 3.96Å; N116-T120 PolarHBondContact O-N 2.98Å; N116-T120 PolarHBondContact O-OG1 2.9Å | ||
| 117 | E | 91.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 179 | -66.4 | -165.5 | 176.9 | 0 | 0 | 111.7 | P98 Y99 T120 K121 | P98-E117 HydrophobicContact CB-CB 4.41Å; P98-E117 HydrophobicContact CB-CG 3.92Å; P98-E117 VanDerWaalsContact CB-OE2 3.28Å; P98-E117 WeakPolarHBondContact CB-OE2 3.44Å; Y99-E117 HydrophobicContact CD1-CG 4.26Å; E117-T120 WeakPolarHBondContact O-CB 3.29Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 2.8Å |
| 118 | E | 89.6 | Confident | 91.8 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.9 | -76.6 | 52.9 | -114.3 | 0 | 0 | 110.8 | N116 T120 K121 H122 | N116-E118 PolarHBondContact OD1-OE2 2.82Å; N116-E118 VanDerWaalsContact OD1-OE2 3.13Å; E118-T120 PolarHBondContact O-N 2.89Å; E118-K121 PolarHBondContact O-N 2.57Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E118-K121 IonicContact OE1-NZ 2.83Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; E118-H122 PolarHBondContact O-N 3.37Å; E118-H122 PolarHBondContact O-ND1 3.11Å |
| 119 | E | 89 | Confident | 91.8 | Very high | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.1 | -40.5 | 173.7 | -69.8 | -176.7 | 170.9 | 0 | 0 | 111.4 | G37 V38 F114 N116 H122 F123 | G37-E119 VanDerWaalsContact CA-OE2 3.31Å; G37-E119 WeakPolarHBondContact CA-OE2 3.1Å; V38-E119 PolarHBondContact N-OE2 2.91Å; F114-E119 HydrophobicContact CD1-CB 4.17Å; N116-E119 HydrophobicContact CB-CB 4.2Å; N116-E119 HydrophobicContact CB-CG 3.96Å; E119-H122 PolarHBondContact O-N 3.44Å; E119-F123 VanDerWaalsContact O-CB 3.27Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 3.02Å |
| 120 | T | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 178.1 | -47.3 | 0 | 0 | 0 | 0 | 112.1 | L95 P98 Y99 I101 F114 N116 E117 E118 F123 H124 | L95-T120 HydrophobicContact CD1-CG2 3.63Å; P98-T120 WeakPolarHBondContact O-CB 3.28Å; P98-T120 VanDerWaalsContact O-CG2 3.22Å; P98-T120 WeakPolarHBondContact O-CG2 3.35Å; P98-T120 PolarHBondContact O-OG1 2.98Å; Y99-T120 WeakPolarHBondContact CA-OG1 3.43Å; I101-T120 HydrophobicContact CD1-CG2 3.94Å; I101-T120 HydrophobicContact CG1-CG2 3.69Å; F114-T120 WeakPolarHBondContact CB-OG1 3.06Å; F114-T120 HydrophobicContact CD2-CG2 3.83Å; F114-T120 HydrophobicContact CE2-CG2 4.29Å; F114-T120 HydrophobicContact CG-CG2 4.28Å; F114-T120 VanDerWaalsContact CG-OG1 3.3Å; F114-T120 WeakPolarHBondContact CG-OG1 3.27Å; N116-T120 PolarHBondContact O-N 2.98Å; N116-T120 PolarHBondContact O-OG1 2.9Å; E117-T120 WeakPolarHBondContact O-CB 3.29Å; E117-T120 PolarHBondContact O-N 3.28Å; E118-T120 PolarHBondContact O-N 2.89Å; T120-F123 PolarHBondContact O-N 2.84Å; T120-H124 VanDerWaalsContact O-CB 3.22Å; T120-H124 WeakPolarHBondContact O-CB 3.33Å; T120-H124 PolarHBondContact O-N 3.06Å |
| 121 | K | 90.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 42.1 Ų | 42.1 | 44% | 0.443 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.3 | -68.2 | 160.5 | -164.1 | 161.7 | 0 | 110.7 | E117 E118 G125 | E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 2.8Å; E118-K121 PolarHBondContact O-N 2.57Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E118-K121 IonicContact OE1-NZ 2.83Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; K121-G125 PolarHBondContact O-N 2.92Å |
| 122 | H | 89.2 | Confident | 90.6 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.8 | -69.5 | 90 | 0 | 0 | 0 | 111.8 | E118 E119 G125 A126 | E118-H122 PolarHBondContact O-N 3.37Å; E118-H122 PolarHBondContact O-ND1 3.11Å; E119-H122 PolarHBondContact O-N 3.44Å; H122-G125 PolarHBondContact O-N 2.83Å; H122-A126 WeakPolarHBondContact O-CB 3.48Å; H122-A126 PolarHBondContact O-N 3.3Å |
| 123 | F | 93 | Very high | 90 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -45.8 | -179.2 | -164.9 | -82 | 0 | 0 | 0 | 112.3 | A58 L60 I71 I101 L112 F114 E119 T120 A126 L127 | A58-F123 HydrophobicContact CB-CE2 4.09Å; A58-F123 HydrophobicContact CB-CZ 4.28Å; L60-F123 HydrophobicContact CB-CE2 3.85Å; L60-F123 HydrophobicContact CB-CZ 3.89Å; I71-F123 HydrophobicContact CD1-CE1 4.32Å; I71-F123 HydrophobicContact CG1-CE1 4.45Å; I71-F123 HydrophobicContact CG1-CZ 4.3Å; I71-F123 HydrophobicContact CG2-CZ 4.19Å; I101-F123 HydrophobicContact CD1-CD1 4.06Å; L112-F123 HydrophobicContact CD1-CE1 4.29Å; F114-F123 HydrophobicContact CE1-CB 3.88Å; F114-F123 HydrophobicContact CE1-CD1 4.44Å; F114-F123 HydrophobicContact CE1-CD2 4.1Å; F114-F123 AromaticContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CZ-CB 3.81Å; F114-F123 AromaticContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD2 4.07Å; F114-F123 HydrophobicContact CZ-CE1 4.24Å; F114-F123 AromaticContact CZ-CG 3.57Å; F114-F123 HydrophobicContact CZ-CG 3.57Å; E119-F123 VanDerWaalsContact O-CB 3.27Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 3.02Å; T120-F123 PolarHBondContact O-N 2.84Å; F123-A126 PolarHBondContact O-N 2.71Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.79Å |
| 124 | H | 92.1 | Very high | 89.1 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.1 | -172.3 | -70.4 | 0 | 0 | 0 | 111.5 | D93 I101 T120 L127 T128 | D93-H124 IonicContact OD2-CD2 3.61Å; D93-H124 PolarHBondContact OD2-CD2 2.82Å; D93-H124 IonicContact OD2-CE1 2.67Å; D93-H124 IonicContact OD2-CG 2.7Å; D93-H124 IonicContact OD2-ND1 2.76Å; D93-H124 IonicContact OD2-NE2 2.61Å; D93-H124 PolarHBondContact OD2-NE2 2.83Å; I101-H124 HydrophobicContact CD1-CB 3.76Å; I101-H124 HydrophobicContact CG1-CB 4.46Å; T120-H124 VanDerWaalsContact O-CB 3.22Å; T120-H124 WeakPolarHBondContact O-CB 3.33Å; T120-H124 PolarHBondContact O-N 3.06Å; H124-L127 PolarHBondContact O-N 2.8Å; H124-T128 PolarHBondContact CE1-OG1 3.24Å; H124-T128 PolarHBondContact ND1-OG1 2.91Å; H124-T128 WeakPolarHBondContact O-CB 3.47Å; H124-T128 PolarHBondContact O-N 3.13Å; H124-T128 PolarHBondContact O-OG1 2.77Å; H124-T128 VanDerWaalsContact O-OG1 3.05Å |
| 125 | G | 91.1 | Very high | 88.1 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -50.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K121 H122 L127 T128 E129 | K121-G125 PolarHBondContact O-N 2.92Å; H122-G125 PolarHBondContact O-N 2.83Å; G125-L127 PolarHBondContact O-N 2.96Å; G125-T128 PolarHBondContact O-N 3.45Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.46Å; G125-E129 PolarHBondContact O-N 3.29Å |
| 126 | A | 90.7 | Very high | 87.3 | Confident | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L60 H122 F123 L130 | L60-A126 HydrophobicContact CD2-CB 3.82Å; H122-A126 WeakPolarHBondContact O-CB 3.48Å; H122-A126 PolarHBondContact O-N 3.3Å; F123-A126 PolarHBondContact O-N 2.71Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 3.2Å |
| 127 | L | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 179.3 | -173.8 | 55.7 | 0 | 0 | 0 | 112.8 | L60 I71 L87 F91 D93 F123 H124 G125 T131 | L60-L127 HydrophobicContact CD1-CD1 4.05Å; L60-L127 HydrophobicContact CD2-CB 4.43Å; I71-L127 HydrophobicContact CD1-CD1 4.31Å; I71-L127 HydrophobicContact CD1-CD2 4.08Å; L87-L127 HydrophobicContact CD1-CD1 3.56Å; L87-L127 HydrophobicContact CD2-CD1 3.81Å; L87-L127 HydrophobicContact CG-CD1 4.37Å; F91-L127 HydrophobicContact CD1-CD1 4.31Å; F91-L127 HydrophobicContact CE1-CD1 4.16Å; F91-L127 HydrophobicContact CE1-CD2 3.99Å; F91-L127 HydrophobicContact CE1-CG 4.26Å; D93-L127 HydrophobicContact CB-CD2 3.93Å; D93-L127 WeakPolarHBondContact OD2-CD2 3.49Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.79Å; H124-L127 PolarHBondContact O-N 2.8Å; G125-L127 PolarHBondContact O-N 2.96Å; L127-T131 WeakPolarHBondContact O-CB 3.46Å; L127-T131 PolarHBondContact O-N 2.86Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 2.93Å |
| 128 | T | 89.2 | Confident | 84.8 | Confident | 57 Ų | 57 | 62 Ų | 62 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 173.7 | -66.5 | 0 | 0 | 0 | 0 | 110.9 | H124 G125 L130 T131 V132 | H124-T128 PolarHBondContact CE1-OG1 3.24Å; H124-T128 PolarHBondContact ND1-OG1 2.91Å; H124-T128 WeakPolarHBondContact O-CB 3.47Å; H124-T128 PolarHBondContact O-N 3.13Å; H124-T128 PolarHBondContact O-OG1 2.77Å; H124-T128 VanDerWaalsContact O-OG1 3.05Å; G125-T128 PolarHBondContact O-N 3.45Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.4Å; T128-T131 PolarHBondContact O-N 3.41Å; T128-V132 WeakPolarHBondContact O-CG2 3.43Å; T128-V132 PolarHBondContact O-N 2.67Å |
| 129 | E | 89.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | -177.9 | -163.4 | -148.1 | -161.8 | 0 | 0 | 111.5 | G125 T131 V132 K133 | G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.46Å; G125-E129 PolarHBondContact O-N 3.29Å; E129-T131 VanDerWaalsContact C-N 3.33Å; E129-T131 PolarHBondContact O-N 3.36Å; E129-V132 PolarHBondContact O-N 2.7Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.28Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.47Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.88Å; E129-K133 WeakPolarHBondContact OE2-CE 3.48Å; E129-K133 IonicContact OE2-NZ 3.01Å; E129-K133 PolarHBondContact OE2-NZ 3.13Å |
| 130 | L | 87.3 | Confident | 81.9 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 174.6 | 176.8 | 65.1 | 0 | 0 | 0 | 112.1 | L34 L60 Y69 L87 A126 T128 K133 R134 | L34-L130 HydrophobicContact CD1-CD1 4.12Å; L34-L130 HydrophobicContact CD1-CD2 4.16Å; L60-L130 HydrophobicContact CD1-CD2 3.95Å; L60-L130 HydrophobicContact CD2-CD2 4.17Å; L60-L130 HydrophobicContact CG-CD2 4.32Å; Y69-L130 HydrophobicContact CD1-CD1 3.6Å; Y69-L130 HydrophobicContact CD1-CD2 3.69Å; Y69-L130 HydrophobicContact CD1-CG 4.22Å; Y69-L130 HydrophobicContact CD2-CD1 4.19Å; Y69-L130 HydrophobicContact CD2-CD2 4.44Å; Y69-L130 HydrophobicContact CE1-CD1 3.31Å; Y69-L130 HydrophobicContact CE1-CD2 4.31Å; Y69-L130 HydrophobicContact CE1-CG 4.38Å; Y69-L130 HydrophobicContact CE2-CD1 3.95Å; Y69-L130 HydrophobicContact CG-CD1 4.03Å; Y69-L130 HydrophobicContact CG-CD2 3.77Å; Y69-L130 HydrophobicContact CG-CG 4.33Å; L87-L130 HydrophobicContact CD1-CD2 3.89Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 3.2Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.4Å; L130-K133 PolarHBondContact O-N 3.41Å; L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 2.74Å |
| 131 | T | 84.9 | Confident | 80.3 | Confident | 13 Ų | 13 | 81.5 Ų | 81.5 | 8% | 0.08 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 178.6 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | L127 T128 E129 N135 | L127-T131 WeakPolarHBondContact O-CB 3.46Å; L127-T131 PolarHBondContact O-N 2.86Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 2.93Å; T128-T131 PolarHBondContact O-N 3.41Å; E129-T131 VanDerWaalsContact C-N 3.33Å; E129-T131 PolarHBondContact O-N 3.36Å; T131-N135 WeakPolarHBondContact O-CB 3.31Å; T131-N135 PolarHBondContact O-N 3.4Å; T131-N135 PolarHBondContact O-OD1 3.23Å |
| 132 | V | 84.6 | Confident | 78.5 | Confident | 68 Ų | 68 | 86.1 Ų | 86.1 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66 | -48.4 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | T128 E129 R134 N135 R136 | T128-V132 WeakPolarHBondContact O-CG2 3.43Å; T128-V132 PolarHBondContact O-N 2.67Å; E129-V132 PolarHBondContact O-N 2.7Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.85Å; V132-N135 PolarHBondContact O-N 3.4Å; V132-R136 PolarHBondContact O-N 3.45Å; V132-R136 VanDerWaalsContact O-N 3.09Å |
| 133 | K | 82.8 | Confident | 76.9 | Confident | 121 Ų | 121 | 88.3 Ų | 88.3 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.9 | -45.6 | 177.2 | -81.4 | 174.8 | 172.2 | 166.9 | 0 | 111.1 | E129 L130 K137 | E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.28Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.47Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.88Å; E129-K133 WeakPolarHBondContact OE2-CE 3.48Å; E129-K133 IonicContact OE2-NZ 3.01Å; E129-K133 PolarHBondContact OE2-NZ 3.13Å; L130-K133 PolarHBondContact O-N 3.41Å; K133-K137 PolarHBondContact O-N 3.33Å |
| 134 | R | 76.9 | Confident | 75.1 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 15% | 0.147 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 177.2 | -175.8 | -173.5 | 57 | 177.9 | -15.8 | 112.2 | L87 Y88 L130 V132 R136 K137 T138 | L87-R134 PolarHBondContact O-NH1 3.17Å; Y88-R134 VanDerWaalsContact C-NH1 3.3Å; Y88-R134 PolarHBondContact O-NH1 2.79Å; Y88-R134 VanDerWaalsContact O-NH1 3.15Å; Y88-R134 PolarHBondContact O-NH2 2.79Å; L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 2.74Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.85Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.99Å; R134-K137 CarbonylContact O-C 3.48Å; R134-K137 WeakPolarHBondContact O-CA 3.4Å; R134-K137 WeakPolarHBondContact O-CB 3.34Å; R134-K137 PolarHBondContact O-N 2.83Å; R134-T138 HydrophobicContact CG-CG2 4.43Å; R134-T138 PolarHBondContact O-N 3.42Å; R134-T138 PolarHBondContact O-OG1 2.58Å; R134-T138 VanDerWaalsContact O-OG1 3.13Å |
| 135 | N | 73.8 | Confident | 73.5 | Confident | 59 Ų | 59 | 97.9 Ų | 97.9 | 32% | 0.316 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | -177.7 | -74 | -3.7 | 0 | 0 | 0 | 111.3 | T131 V132 K137 T138 E139 | T131-N135 WeakPolarHBondContact O-CB 3.31Å; T131-N135 PolarHBondContact O-N 3.4Å; T131-N135 PolarHBondContact O-OD1 3.23Å; V132-N135 PolarHBondContact O-N 3.4Å; N135-K137 VanDerWaalsContact C-N 3.32Å; N135-K137 PolarHBondContact O-N 3.45Å; N135-T138 WeakPolarHBondContact CA-OG1 3.48Å; N135-T138 PolarHBondContact O-N 2.8Å; N135-T138 PolarHBondContact O-OG1 3.4Å; N135-E139 WeakPolarHBondContact O-CB 3.36Å; N135-E139 PolarHBondContact O-N 3.12Å |
| 136 | R | 74.4 | Confident | 71.2 | Confident | 177 Ų | 177 | 103.3 Ų | 103.3 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.7 | -39.8 | 173.3 | -70.4 | 178.6 | 174.4 | -175.7 | -2.1 | 112.8 | V132 R134 K140 | V132-R136 PolarHBondContact O-N 3.45Å; V132-R136 VanDerWaalsContact O-N 3.09Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.99Å; R136-K140 PolarHBondContact O-N 3.46Å; R136-K140 VanDerWaalsContact O-N 3.15Å |
| 137 | K | 68.6 | Low | 69.1 | Low | 160 Ų | 160 | 105 Ų | 105 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.9 | -34.6 | 178.2 | -170.3 | 171 | -176 | 169.9 | 0 | 112.7 | K133 R134 N135 R141 | K133-K137 PolarHBondContact O-N 3.33Å; R134-K137 CarbonylContact O-C 3.48Å; R134-K137 WeakPolarHBondContact O-CA 3.4Å; R134-K137 WeakPolarHBondContact O-CB 3.34Å; R134-K137 PolarHBondContact O-N 2.83Å; N135-K137 VanDerWaalsContact C-N 3.32Å; N135-K137 PolarHBondContact O-N 3.45Å; K137-R141 PolarHBondContact O-N 3.02Å |
| 138 | T | 61.8 | Low | 66.8 | Low | 51 Ų | 51 | 110.1 Ų | 110.1 | 31% | 0.313 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75 | -33 | 173.9 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | R134 N135 R141 R142 | R134-T138 HydrophobicContact CG-CG2 4.43Å; R134-T138 PolarHBondContact O-N 3.42Å; R134-T138 PolarHBondContact O-OG1 2.58Å; R134-T138 VanDerWaalsContact O-OG1 3.13Å; N135-T138 WeakPolarHBondContact CA-OG1 3.48Å; N135-T138 PolarHBondContact O-N 2.8Å; N135-T138 PolarHBondContact O-OG1 3.4Å; T138-R141 CarbonylContact O-C 3.59Å; T138-R141 PolarHBondContact O-N 3.33Å; T138-R141 VanDerWaalsContact O-N 3.15Å; T138-R142 PolarHBondContact O-N 2.72Å |
| 139 | E | 59.6 | Low | 64.5 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -47.7 | 175.7 | -171.7 | 171.1 | -166.8 | 0 | 0 | 110.9 | N135 R141 R142 | N135-E139 WeakPolarHBondContact O-CB 3.36Å; N135-E139 PolarHBondContact O-N 3.12Å; E139-R141 PolarHBondContact O-N 3.34Å; E139-R142 PolarHBondContact O-N 3.04Å |
| 140 | K | 58.1 | Low | 62 | Low | 198 Ų | 198 | 114.8 Ų | 114.8 | 86% | 0.861 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -9.9 | 170.5 | -74.5 | -168.5 | 174.8 | -172.1 | 0 | 114.9 | R136 | R136-K140 PolarHBondContact O-N 3.46Å; R136-K140 VanDerWaalsContact O-N 3.15Å |
| 141 | R | 57.1 | Low | 59.8 | Low | 210 Ų | 210 | 119.7 Ų | 119.7 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -1.8 | 177 | -121 | -178.2 | -174.4 | -91.1 | -0.5 | 113.8 | K137 T138 E139 | K137-R141 PolarHBondContact O-N 3.02Å; T138-R141 CarbonylContact O-C 3.59Å; T138-R141 PolarHBondContact O-N 3.33Å; T138-R141 VanDerWaalsContact O-N 3.15Å; E139-R141 PolarHBondContact O-N 3.34Å |
| 142 | R | 54 | Low | 57.7 | Low | 199 Ų | 199 | 128.4 Ų | 128.4 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -92.6 | 94.2 | 165.9 | -77.3 | -178.1 | 177.5 | 175.4 | 0.5 | 107.1 | T138 E139 | T138-R142 PolarHBondContact O-N 2.72Å; E139-R142 PolarHBondContact O-N 3.04Å |
| 143 | D | 55.4 | Low | 55.4 | Low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -49 | 142.5 | 161 | -66.9 | -67 | 0 | 0 | 0 | 109.6 | ||
| 144 | P | 56 | Low | 53.9 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.2 | -175.8 | 23.7 | -33.4 | 0 | 0 | 0 | 110.2 | N146 | P144-N146 PolarHBondContact O-N 3.06Å; P144-N146 VanDerWaalsContact O-N 3.12Å |
| 145 | P | 57.1 | Low | 52.1 | Low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -67.6 | 118.3 | -178.9 | 27 | -33.1 | 0 | 0 | 0 | 109.9 | ||
| 146 | N | 42.7 | Very low | 50.2 | Low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 67.8 | 68.3 | 163.2 | -158.1 | 87 | 0 | 0 | 0 | 116.1 | P144 | P144-N146 PolarHBondContact O-N 3.06Å; P144-N146 VanDerWaalsContact O-N 3.12Å | ||
| 147 | G | 46.7 | Very low | 48.7 | Very low | 60 Ų | 60 | 137.6 Ų | 137.6 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | -62.7 | 136.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110 | A149 | G147-A149 PolarHBondContact O-N 2.93Š| ||
| 148 | P | 42 | Very low | 46.9 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | -65.1 | 134.2 | 177.6 | 27.4 | -33.5 | 0 | 0 | 0 | 109.9 | L150 | P148-L150 PolarHBondContact O-N 2.71Š| ||
| 149 | A | 40.8 | Very low | 45.4 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -60.4 | 109.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | G147 P151 | G147-A149 PolarHBondContact O-N 2.93Å; A149-P151 WeakPolarHBondContact O-CD 3.01Å | ||
| 150 | L | 37.9 | Very low | 44.8 | Very low | 155 Ų | 155 | 141 Ų | 141 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -72.2 | 122.7 | 173.4 | -64.7 | 179.8 | 0 | 0 | 0 | 108.6 | P148 M152 | P148-L150 PolarHBondContact O-N 2.71Å; L150-M152 PolarHBondContact O-N 2.89Å | ||
| 151 | P | 41.5 | Very low | 43.5 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -65.7 | 135 | 172.1 | 28 | -32.9 | 0 | 0 | 0 | 109 | A149 A153 | A149-P151 WeakPolarHBondContact O-CD 3.01Å; P151-A153 PolarHBondContact O-N 3.49Å | ||
| 152 | M | 39.6 | Very low | 42.5 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 97% | 0.97 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 111.5 | 173.9 | -68.2 | -180 | 68.3 | 0 | 0 | 110 | L150 | L150-M152 PolarHBondContact O-N 2.89Š| ||
| 153 | A | 36.7 | Very low | 41.3 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -112.5 | 96.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | P151 I155 | P151-A153 PolarHBondContact O-N 3.49Å; A153-I155 PolarHBondContact O-N 2.89Å | ||
| 154 | T | 50.3 | Low | 40 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 115.4 | 162 | 171.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 155 | I | 39.1 | Very low | 38.8 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -131 | 112.7 | 167.4 | -60.8 | -174.8 | 0 | 0 | 0 | 108.4 | A153 | A153-I155 PolarHBondContact O-N 2.89Š| ||
| 156 | D | 35.1 | Very low | 37.6 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 149.5 | 179.7 | -160.5 | -112.6 | 0 | 0 | 0 | 111.8 | K158 | D156-K158 PolarHBondContact O-N 2.89Š| ||
| 157 | I | 41.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -81 | 113.1 | 179.2 | -63.8 | 169.1 | 0 | 0 | 0 | 109.8 | ||||
| 158 | K | 32.3 | Very low | 36.6 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -152.4 | 114.7 | 154.6 | -109.5 | 146.1 | -170.8 | 162.6 | 0 | 113.8 | D156 | D156-K158 PolarHBondContact O-N 2.89Š| ||
| 159 | N | 30 | Very low | 36.3 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -78.9 | 177.1 | 163.8 | -152 | 26.3 | 0 | 0 | 0 | 109.2 | ||||
| 160 | P | 47.3 | Very low | 35.8 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | cis | -128.1 | -172.1 | -23.7 | 18.7 | 6.6 | 0 | 0 | 0 | 113 | ||||
| 161 | E | 30.8 | Very low | 35.6 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 135.1 | 154.6 | -75.2 | -72.9 | 123.8 | 0 | 0 | 120.7 | ||||
| 162 | I | 36.5 | Very low | 35.5 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 142.5 | 103.9 | 138.6 | -70.2 | 163.3 | 0 | 0 | 0 | 113.5 | ||||
| 163 | S | 28.7 | Very low | 35.5 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | 39.6 | 109.7 | 130.2 | -144.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 164 | N | 26.9 | Very low | 35.5 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | 72 | 153.9 | 120.6 | -155.9 | 20.7 | 0 | 0 | 0 | 122.5 | |||||
| 165 | S | 31.2 | Very low | 34.7 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | trans | 79.3 | 102.9 | 157.4 | 31.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 166 | H | 32.8 | Very low | 34.3 | Very low | 151 Ų | 151 | 138.4 Ų | 138.4 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | 98.6 | 110.7 | 118.2 | -80 | -39.7 | 0 | 0 | 0 | 124.2 | |||||
| 167 | R | 32.7 | Very low | 34.4 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | 73.6 | 150.6 | 141.6 | -49.1 | 169 | -166 | -177.4 | 3.4 | 116.4 | ||||
| 168 | F | 34.6 | Very low | 34.1 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 69% | 0.689 | 72% | 0.724 | S | S | * | * | cis | -142.6 | 147.4 | 17.3 | -76 | -101.4 | 0 | 0 | 0 | 112.6 | ||||
| 169 | H | 36.8 | Very low | 34.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 46.2 | 149.3 | 138.7 | -60.2 | 66.9 | 0 | 0 | 0 | 121 | ||||
| 170 | N | 29.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | cis | -159.2 | 138.6 | 18 | -153.1 | -0.3 | 0 | 0 | 0 | 114.1 | ||||
| 171 | N | 33.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | 24.2 | 122 | 144.3 | -167.5 | 51.6 | 0 | 0 | 0 | 122.6 | ||||
| 172 | S | 40.5 | Very low | 33.8 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | -174 | 108.6 | 97.5 | -163.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 173 | Q | 38 | Very low | 34.6 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | trans | 56.3 | 107.4 | 142.5 | -56.8 | -173.4 | -16.3 | 0 | 0 | 120.4 | ||||
| 174 | M | 37.4 | Very low | 34.9 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | 78.2 | 145 | 85.3 | 106.9 | 172.3 | 96.1 | 0 | 0 | 114.1 | |||||
| 175 | N | 33 | Very low | 35.3 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -160.6 | 122.6 | -14.9 | -154.3 | 35.3 | 0 | 0 | 0 | 105.6 | ||||
| 176 | S | 31.8 | Very low | 35.7 | Very low | 83 Ų | 83 | 151.5 Ų | 151.5 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | 64.3 | 119.1 | 93.5 | -157.1 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 177 | L | 37.4 | Very low | 35.9 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 60.4 | 134 | 147.4 | -92.7 | 58.1 | 0 | 0 | 0 | 121.8 | ||||
| 178 | V | 34 | Very low | 36.5 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | -173.2 | 166.7 | 94.2 | -82.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 179 | H | 33.3 | Very low | 36.7 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 93% | 0.931 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 166.5 | -172.6 | -67.9 | -69.5 | 0 | 0 | 0 | 118.1 | ||||
| 180 | G | 30.7 | Very low | 36.8 | Very low | 78 Ų | 78 | 155.4 Ų | 155.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 172.6 | 124.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 181 | S | 34.8 | Very low | 37.4 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -97.6 | 136.8 | -177.2 | -61.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 182 | F | 35.9 | Very low | 37.9 | Very low | 199 Ų | 199 | 158.4 Ų | 158.4 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | trans | 40.5 | 169.5 | 151 | -64.5 | -67.4 | 0 | 0 | 0 | 122 | ||||
| 183 | P | 53.9 | Low | 38.7 | Very low | 112 Ų | 112 | 164.2 Ų | 164.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -126.6 | 164.5 | -48.5 | 37.2 | -23.9 | 0 | 0 | 0 | 112.1 | ||||
| 184 | R | 33.6 | Very low | 39.6 | Very low | 253 Ų | 253 | 166.8 Ų | 166.8 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | trans | -141.1 | 126.5 | 162.1 | -96.2 | -172.5 | -91.1 | -124.8 | -0.4 | 113.1 | ||||
| 185 | R | 36.8 | Very low | 40.7 | Very low | 237 Ų | 237 | 170.5 Ų | 170.5 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -69.1 | 152.5 | 165 | -66.8 | 176.5 | 173.3 | 175.5 | -2.1 | 109.8 | ||||
| 186 | I | 39.3 | Very low | 42.1 | Very low | 163 Ų | 163 | 170.9 Ų | 170.9 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | -179 | 147.6 | 123.2 | -94.9 | 155.2 | 0 | 0 | 0 | 112.4 | |||||
| 187 | K | 36.4 | Very low | 43.5 | Very low | 168 Ų | 168 | 170.8 Ų | 170.8 | 73% | 0.73 | 83% | 0.825 | S | S | * | * | trans | 72.3 | 109.8 | 165.5 | -109.1 | -179.1 | 171.7 | -162.9 | 0 | 120.8 | E189 | K187-E189 IonicContact NZ-OE1 3.25Å; K187-E189 PolarHBondContact NZ-OE1 2.71Å | ||
| 188 | K | 44.4 | Very low | 44.5 | Very low | 207 Ų | 207 | 172.9 Ų | 172.9 | 90% | 0.9 | 83% | 0.827 | S | S | * | * | trans | -68 | 137.9 | 146.9 | -72.9 | 176.3 | 171.7 | 177.4 | 0 | 109.3 | ||||
| 189 | E | 38.9 | Very low | 45.8 | Very low | 159 Ų | 159 | 170.2 Ų | 170.2 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -146 | 162.9 | 156.4 | -138.4 | 161.6 | -116.8 | 0 | 0 | 111.3 | K187 | K187-E189 IonicContact NZ-OE1 3.25Å; K187-E189 PolarHBondContact NZ-OE1 2.71Å | ||
| 190 | K | 39.6 | Very low | 46.8 | Very low | 202 Ų | 202 | 165.4 Ų | 165.4 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -80.4 | 138.3 | -153.5 | -66.7 | 172 | 176.9 | 174.9 | 0 | 113.8 | K192 | K190-K192 PolarHBondContact O-N 3.15Š| ||
| 191 | V | 42.3 | Very low | 48 | Very low | 139 Ų | 139 | 168 Ų | 168 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -65 | 113.9 | 176 | 180 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 192 | K | 44.4 | Very low | 49.1 | Very low | 189 Ų | 189 | 165.3 Ų | 165.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -105.2 | 125.6 | 152.8 | -76.6 | -175.8 | 175.3 | -179.3 | 0 | 107.4 | K190 K194 | K190-K192 PolarHBondContact O-N 3.15Å; K192-K194 PolarHBondContact O-N 3.12Å | ||
| 193 | K | 57.3 | Low | 50.2 | Low | 212 Ų | 212 | 161.9 Ų | 161.9 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | trans | -55 | 113.2 | -179.6 | -65.9 | -178.4 | 177.4 | -179.5 | 0 | 109.9 | ||||
| 194 | K | 56.5 | Low | 50 | Low | 196 Ų | 196 | 161.2 Ų | 161.2 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 150.5 | 167.3 | -75.5 | -174.7 | 176.7 | -179 | 0 | 109.1 | K192 | K192-K194 PolarHBondContact O-N 3.12Š|
| 195 | R | 60.3 | Low | 50.9 | Low | 233 Ų | 233 | 154.6 Ų | 154.6 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.4 | 179.5 | -66.4 | 162 | 60.8 | -172.3 | -0.3 | 109.3 | T197 | R195-T197 PolarHBondContact O-N 3.38Š|
| 196 | L | 61.8 | Low | 51.4 | Low | 152 Ų | 152 | 150.2 Ų | 150.2 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 134.8 | 175.5 | -71.3 | 155.7 | 0 | 0 | 0 | 110.3 | D200 | L196-D200 HydrophobicContact CD2-CB 3.73Š|
| 197 | T | 61.8 | Low | 51.6 | Low | 81 Ų | 81 | 150.6 Ų | 150.6 | 50% | 0.497 | 76% | 0.759 | S | S | . | * | trans | -110.1 | 165.4 | 177.1 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | R195 A199 D200 | R195-T197 PolarHBondContact O-N 3.38Å; T197-A199 PolarHBondContact O-N 3.24Å; T197-D200 PolarHBondContact N-OD2 2.86Å; T197-D200 WeakPolarHBondContact O-CB 3.41Å; T197-D200 PolarHBondContact O-N 3.47Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å | ||
| 198 | K | 57.6 | Low | 52.5 | Low | 195 Ų | 195 | 148.5 Ų | 148.5 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -9.7 | -179.2 | -160.3 | 172.8 | -179.7 | -179.7 | 0 | 113.7 | ||
| 199 | A | 61.6 | Low | 52.5 | Low | 88 Ų | 88 | 146 Ų | 146 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -17.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T197 | T197-A199 PolarHBondContact O-N 3.24Š|
| 200 | D | 55.8 | Low | 53.2 | Low | 99 Ų | 99 | 142.5 Ų | 142.5 | 53% | 0.529 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -17.4 | 176.4 | -57.2 | -62.5 | 0 | 0 | 0 | 112.1 | L196 T197 G202 | L196-D200 HydrophobicContact CD2-CB 3.73Å; T197-D200 PolarHBondContact N-OD2 2.86Å; T197-D200 WeakPolarHBondContact O-CB 3.41Å; T197-D200 PolarHBondContact O-N 3.47Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å; D200-G202 PolarHBondContact O-N 3.35Å |
| 201 | I | 54.5 | Low | 53.8 | Low | 134 Ų | 134 | 136.5 Ų | 136.5 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -86.6 | 86.5 | 166.5 | -49.8 | 174.5 | 0 | 0 | 0 | 106.8 | ||
| 202 | G | 59.4 | Low | 54.6 | Low | 54 Ų | 54 | 136.8 Ų | 136.8 | 56% | 0.557 | 70% | 0.702 | S | S | * | * | trans | -55.2 | 150.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D200 | D200-G202 PolarHBondContact O-N 3.35Š| ||
| 203 | T | 58.2 | Low | 55.6 | Low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -49.2 | 137.4 | 168.1 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | S205 | T203-S205 PolarHBondContact O-N 2.84Š|
| 204 | P | 49.1 | Very low | 56 | Low | 97 Ų | 97 | 118.6 Ų | 118.6 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | trans | -48.5 | 97.7 | -171.9 | 18.1 | -34.2 | 0 | 0 | 0 | 112.8 | N206 F207 | P204-N206 VanDerWaalsContact C-N 3.26Å; P204-N206 PolarHBondContact O-N 2.99Å; P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CB-CE2 3.86Å; P204-F207 HydrophobicContact CG-CD2 4.21Å; P204-F207 HydrophobicContact CG-CE2 3.57Å; P204-F207 HydrophobicContact CG-CZ 4.47Å; P204-F207 WeakPolarHBondContact O-CD2 3.37Å | ||
| 205 | S | 51.9 | Low | 57.1 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 43 | -170.1 | 178.9 | 0 | 0 | 0 | 0 | 111 | T203 | T203-S205 PolarHBondContact O-N 2.84Š|
| 206 | N | 48.3 | Very low | 57.7 | Low | 146 Ų | 146 | 102.6 Ų | 102.6 | 78% | 0.781 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.7 | 17 | -178.6 | -113.9 | 102.2 | 0 | 0 | 0 | 113.1 | P204 Q208 | P204-N206 VanDerWaalsContact C-N 3.26Å; P204-N206 PolarHBondContact O-N 2.99Å; N206-Q208 PolarHBondContact O-N 2.79Å |
| 207 | F | 43.2 | Very low | 58.2 | Low | 170 Ų | 170 | 98.8 Ų | 98.8 | 75% | 0.746 | 55% | 0.55 | S | S | * | . | trans | -64.9 | 99.8 | 169.6 | -83 | -69 | 0 | 0 | 0 | 109.8 | P204 | P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CB-CE2 3.86Å; P204-F207 HydrophobicContact CG-CD2 4.21Å; P204-F207 HydrophobicContact CG-CE2 3.57Å; P204-F207 HydrophobicContact CG-CZ 4.47Å; P204-F207 WeakPolarHBondContact O-CD2 3.37Å | ||
| 208 | Q | 54.7 | Low | 58.6 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | trans | -75.2 | 123.1 | 164.5 | -68.1 | -179.5 | -63.5 | 0 | 0 | 108.1 | N206 V210 G261 | N206-Q208 PolarHBondContact O-N 2.79Å; Q208-V210 VanDerWaalsContact C-N 3.34Å; Q208-V210 PolarHBondContact O-N 2.95Å; Q208-G261 PolarHBondContact NE2-O 2.84Å | ||
| 209 | H | 46.3 | Very low | 59.4 | Low | 154 Ų | 154 | 96.7 Ų | 96.7 | 71% | 0.713 | 55% | 0.548 | S | S | * | . | trans | -69.7 | 96.7 | 163.5 | -76.9 | -168.6 | 0 | 0 | 0 | 108 | N211 | H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.2Å | ||
| 210 | V | 52.3 | Low | 60.1 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | trans | -74 | 91.1 | 164.7 | -175.3 | 0 | 0 | 0 | 0 | 106.5 | Q208 H212 | Q208-V210 VanDerWaalsContact C-N 3.34Å; Q208-V210 PolarHBondContact O-N 2.95Å; V210-H212 PolarHBondContact O-N 2.93Å | ||
| 211 | N | 53.5 | Low | 61.3 | Low | 76 Ų | 76 | 88 Ų | 88 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | trans | -55.5 | 135 | 170 | -81 | -2.3 | 0 | 0 | 0 | 108.8 | H209 I213 V263 | H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.2Å; N211-I213 PolarHBondContact O-N 3.42Å; N211-I213 VanDerWaalsContact O-N 3.15Å; N211-V263 WeakPolarHBondContact O-CG2 3.37Å | ||
| 212 | H | 58.8 | Low | 62.3 | Low | 146 Ų | 146 | 83.9 Ų | 83.9 | 68% | 0.676 | 47% | 0.469 | S | S | * | . | trans | -72.9 | 110.5 | -176.4 | -173.9 | 1.6 | 0 | 0 | 0 | 109.7 | V210 G214 W215 | V210-H212 PolarHBondContact O-N 2.93Å; H212-G214 PolarHBondContact O-N 3.24Å; H212-W215 PolarHBondContact CE1-O 3.14Å | ||
| 213 | I | 64.1 | Low | 62.8 | Low | 10 Ų | 10 | 84.9 Ų | 84.9 | 5% | 0.051 | 46% | 0.46 | C | S | . | . | trans | -70 | 13.1 | -173 | -39.4 | 169.3 | 0 | 0 | 0 | 113.6 | N211 W215 F221 L230 Y254 I257 V263 | N211-I213 PolarHBondContact O-N 3.42Å; N211-I213 VanDerWaalsContact O-N 3.15Å; I213-W215 HydrophobicContact CB-CB 4.43Å; I213-W215 PolarHBondContact O-N 2.96Å; I213-F221 HydrophobicContact CB-CE1 4.24Å; I213-F221 HydrophobicContact CG2-CD1 3.97Å; I213-F221 HydrophobicContact CG2-CE1 3.65Å; I213-L230 HydrophobicContact CG2-CD1 3.33Å; I213-Y254 HydrophobicContact CD1-CD2 3.82Å; I213-Y254 HydrophobicContact CD1-CE2 3.79Å; I213-I257 HydrophobicContact CD1-CG2 4.09Å; I213-V263 HydrophobicContact CD1-CG2 3.61Å; I213-V263 HydrophobicContact CG1-CG1 4.47Å; I213-V263 HydrophobicContact CG1-CG2 3.37Å | ||
| 214 | G | 66.8 | Low | 63.5 | Low | 8 Ų | 8 | 85.8 Ų | 85.8 | 8% | 0.082 | 46% | 0.46 | C | S | . | . | S | Bend | trans | 61 | 2.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | H212 N216 D222 | H212-G214 PolarHBondContact O-N 3.24Å; G214-N216 PolarHBondContact O-ND2 2.82Å; G214-D222 WeakPolarHBondContact O-CB 3.29Å; G214-D222 PolarHBondContact O-N 2.97Å |
| 215 | W | 78.6 | Confident | 64.5 | Low | 25 Ų | 25 | 86.7 Ų | 86.7 | 10% | 0.095 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134 | 179.8 | -175 | 79.1 | 0 | 0 | 0 | 112.2 | H212 I213 P217 G220 F221 S250 K251 Y254 | H212-W215 PolarHBondContact CE1-O 3.14Å; I213-W215 HydrophobicContact CB-CB 4.43Å; I213-W215 PolarHBondContact O-N 2.96Å; W215-P217 HydrophobicContact CE3-CG 4.47Å; W215-P217 HydrophobicContact CH2-CB 3.91Å; W215-P217 HydrophobicContact CH2-CG 3.75Å; W215-P217 HydrophobicContact CZ2-CB 4.48Å; W215-P217 HydrophobicContact CZ3-CB 4.34Å; W215-P217 HydrophobicContact CZ3-CG 3.66Å; W215-G220 WeakPolarHBondContact CA-O 3.22Å; W215-G220 VanDerWaalsContact CD1-C 3.41Å; W215-F221 HydrophobicContact CB-CD1 3.71Å; W215-F221 HydrophobicContact CB-CE1 3.74Å; W215-F221 HydrophobicContact CB-CG 4.28Å; W215-F221 HydrophobicContact CB-CZ 4.34Å; W215-F221 AromaticContact CD1-CD1 3.89Å; W215-F221 AromaticContact CD1-CD2 3.51Å; W215-F221 AromaticContact CD1-CE1 3.96Å; W215-F221 AromaticContact CD1-CE2 3.59Å; W215-F221 AromaticContact CD1-CG 3.66Å; W215-F221 AromaticContact CD1-CZ 3.8Å; W215-F221 HydrophobicContact CG-CD1 4.17Å; W215-F221 HydrophobicContact CG-CD2 4.48Å; W215-F221 HydrophobicContact CG-CE1 4.08Å; W215-F221 HydrophobicContact CG-CE2 4.4Å; W215-F221 HydrophobicContact CG-CG 4.36Å; W215-F221 HydrophobicContact CG-CZ 4.19Å; W215-S250 PolarHBondContact NE1-O 3.24Å; W215-S250 PolarHBondContact NE1-OG 2.88Å; W215-S250 VanDerWaalsContact NE1-OG 3.09Å; W215-K251 HydrophobicContact CH2-CB 4.36Å; W215-K251 HydrophobicContact CH2-CG 4.16Å; W215-K251 HydrophobicContact CZ2-CB 3.79Å; W215-K251 HydrophobicContact CZ2-CG 4.1Å; W215-Y254 HydrophobicContact CB-CD2 3.87Å; W215-Y254 HydrophobicContact CB-CE2 4.37Å; W215-Y254 AromaticContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CE2 4.33Å; W215-Y254 AromaticContact CD2-CG 3.78Å; W215-Y254 HydrophobicContact CD2-CG 3.78Å; W215-Y254 AromaticContact CE3-CD1 3.98Å; W215-Y254 HydrophobicContact CE3-CD1 3.98Å; W215-Y254 AromaticContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CD2 3.4Å; W215-Y254 VanDerWaalsContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CE1 4.26Å; W215-Y254 AromaticContact CE3-CE2 3.72Å; W215-Y254 HydrophobicContact CE3-CE2 3.72Å; W215-Y254 AromaticContact CE3-CG 3.55Å; W215-Y254 HydrophobicContact CE3-CG 3.55Å; W215-Y254 AromaticContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CG 4.31Å; W215-Y254 HydrophobicContact CH2-CD1 4.45Å; W215-Y254 HydrophobicContact CH2-CG 4.44Å; W215-Y254 AromaticContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD2 4.16Å; W215-Y254 HydrophobicContact CZ3-CE1 4.16Å; W215-Y254 HydrophobicContact CZ3-CE2 4.42Å; W215-Y254 AromaticContact CZ3-CG 3.89Å; W215-Y254 HydrophobicContact CZ3-CG 3.89Å |
| 216 | N | 72.5 | Confident | 65.7 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.9 | 177.8 | -77.9 | -76.3 | 0 | 0 | 0 | 110.4 | G214 N218 T219 G220 | G214-N216 PolarHBondContact O-ND2 2.82Å; N216-N218 PolarHBondContact O-N 3.25Å; N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.37Å; N216-T219 VanDerWaalsContact O-N 3.13Å; N216-G220 PolarHBondContact N-O 3.06Å; N216-G220 PolarHBondContact O-N 3.47Å |
| 217 | P | 72.5 | Confident | 67.2 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -13.1 | -179.3 | -24.2 | 31.2 | 0 | 0 | 0 | 116.5 | W215 | W215-P217 HydrophobicContact CE3-CG 4.47Å; W215-P217 HydrophobicContact CH2-CB 3.91Å; W215-P217 HydrophobicContact CH2-CG 3.75Å; W215-P217 HydrophobicContact CZ2-CB 4.48Å; W215-P217 HydrophobicContact CZ3-CB 4.34Å; W215-P217 HydrophobicContact CZ3-CG 3.66Å |
| 218 | N | 71.7 | Confident | 69 | Low | 137 Ų | 137 | 74.3 Ų | 74.3 | 73% | 0.733 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -17.3 | -176.5 | -60.5 | -33 | 0 | 0 | 0 | 113.5 | N216 | N216-N218 PolarHBondContact O-N 3.25Š|
| 219 | T | 73.1 | Confident | 70.2 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 3.8 | -172.9 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | N216 | N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.37Å; N216-T219 VanDerWaalsContact O-N 3.13Å |
| 220 | G | 77.6 | Confident | 71.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.2 | -154.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W215 N216 S250 | W215-G220 WeakPolarHBondContact CA-O 3.22Å; W215-G220 VanDerWaalsContact CD1-C 3.41Å; N216-G220 PolarHBondContact N-O 3.06Å; N216-G220 PolarHBondContact O-N 3.47Å; G220-S250 WeakPolarHBondContact CA-OG 3.35Å |
| 221 | F | 80.6 | Confident | 73.2 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.5 | 177.2 | -74.2 | -86.1 | 0 | 0 | 0 | 111.6 | I213 W215 M223 L226 F234 L244 S250 I253 | I213-F221 HydrophobicContact CB-CE1 4.24Å; I213-F221 HydrophobicContact CG2-CD1 3.97Å; I213-F221 HydrophobicContact CG2-CE1 3.65Å; W215-F221 HydrophobicContact CB-CD1 3.71Å; W215-F221 HydrophobicContact CB-CE1 3.74Å; W215-F221 HydrophobicContact CB-CG 4.28Å; W215-F221 HydrophobicContact CB-CZ 4.34Å; W215-F221 AromaticContact CD1-CD1 3.89Å; W215-F221 AromaticContact CD1-CD2 3.51Å; W215-F221 AromaticContact CD1-CE1 3.96Å; W215-F221 AromaticContact CD1-CE2 3.59Å; W215-F221 AromaticContact CD1-CG 3.66Å; W215-F221 AromaticContact CD1-CZ 3.8Å; W215-F221 HydrophobicContact CG-CD1 4.17Å; W215-F221 HydrophobicContact CG-CD2 4.48Å; W215-F221 HydrophobicContact CG-CE1 4.08Å; W215-F221 HydrophobicContact CG-CE2 4.4Å; W215-F221 HydrophobicContact CG-CG 4.36Å; W215-F221 HydrophobicContact CG-CZ 4.19Å; F221-M223 PolarHBondContact O-N 3.43Å; F221-M223 VanDerWaalsContact O-N 3.13Å; F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CD1-CD1 3.81Å; F221-L226 HydrophobicContact CG-CD1 4.06Å; F221-F234 HydrophobicContact CE1-CZ 4.34Å; F221-F234 HydrophobicContact CZ-CZ 4.32Å; F221-L244 HydrophobicContact CB-CD2 3.98Å; F221-L244 HydrophobicContact CB-CG 3.83Å; F221-L244 HydrophobicContact CD2-CD1 4.04Å; F221-L244 HydrophobicContact CD2-CD2 4.49Å; F221-L244 HydrophobicContact CD2-CG 3.64Å; F221-L244 HydrophobicContact CE2-CD1 4.41Å; F221-L244 HydrophobicContact CE2-CG 4.47Å; F221-L244 HydrophobicContact CG-CD2 4.31Å; F221-L244 HydrophobicContact CG-CG 3.91Å; F221-L244 PolarHBondContact N-O 3.14Å; F221-S250 VanDerWaalsContact CE2-O 3.28Å; F221-S250 WeakPolarHBondContact CE2-O 3.46Å; F221-I253 HydrophobicContact CE2-CB 3.95Å; F221-I253 HydrophobicContact CE2-CG2 3.83Å; F221-I253 HydrophobicContact CZ-CB 4.25Å; F221-I253 HydrophobicContact CZ-CG2 3.8Å |
| 222 | D | 76.1 | Confident | 74.7 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | trans | -74.7 | 100.3 | 168.3 | 179.6 | 14.5 | 0 | 0 | 0 | 111.2 | G214 N224 N225 L226 | G214-D222 WeakPolarHBondContact O-CB 3.29Å; G214-D222 PolarHBondContact O-N 2.97Å; D222-N224 PolarHBondContact O-N 3.05Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.14Å; D222-N224 PolarHBondContact OD1-N 3.34Å; D222-N224 PolarHBondContact OD1-ND2 3.41Å; D222-N225 PolarHBondContact O-N 2.91Å; D222-N225 VanDerWaalsContact O-N 3.12Å; D222-N225 PolarHBondContact OD2-ND2 3.43Å; D222-L226 PolarHBondContact O-N 2.89Å | ||
| 223 | M | 69.3 | Low | 75.9 | Confident | 75 Ų | 75 | 59 Ų | 59 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -56.3 | -25.2 | 178.1 | -59.3 | 152.4 | 56.9 | 0 | 0 | 114.3 | F221 N225 E241 K245 | F221-M223 PolarHBondContact O-N 3.43Å; F221-M223 VanDerWaalsContact O-N 3.13Å; M223-N225 VanDerWaalsContact C-N 3.31Å; M223-E241 HydrophobicContact CE-CG 3.62Å; M223-E241 WeakPolarHBondContact CE-OE1 3.36Å; M223-E241 WeakPolarHBondContact CE-OE2 3.46Å; M223-E241 HydrophobicContact CG-CG 4.45Å; M223-E241 VanDerWaalsContact SD-CD 3.54Å; M223-E241 HydrophobicContact SD-CG 3.46Å; M223-E241 WeakPolarHBondContact SD-CG 3.22Å; M223-K245 WeakPolarHBondContact SD-CE 3.49Å |
| 224 | N | 71.9 | Confident | 76.9 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 78% | 0.781 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -75.7 | -24.5 | -178.1 | -55 | -76 | 0 | 0 | 0 | 112 | D222 | D222-N224 PolarHBondContact O-N 3.05Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.14Å; D222-N224 PolarHBondContact OD1-N 3.34Å; D222-N224 PolarHBondContact OD1-ND2 3.41Å |
| 225 | N | 71.3 | Confident | 77.8 | Confident | 116 Ų | 116 | 63 Ų | 63 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -113.2 | 16.3 | 179.3 | -72.1 | -73.7 | 0 | 0 | 0 | 112.1 | D222 M223 | D222-N225 PolarHBondContact O-N 2.91Å; D222-N225 VanDerWaalsContact O-N 3.12Å; D222-N225 PolarHBondContact OD2-ND2 3.43Å; M223-N225 VanDerWaalsContact C-N 3.31Å |
| 226 | L | 76.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | trans | -86.1 | 127.6 | -175.7 | -158.6 | 128.8 | 0 | 0 | 0 | 111.6 | F221 D222 L230 K231 F234 L244 | F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CD1-CD1 3.81Å; F221-L226 HydrophobicContact CG-CD1 4.06Å; D222-L226 PolarHBondContact O-N 2.89Å; L226-L230 HydrophobicContact CD2-CB 4.06Å; L226-K231 HydrophobicContact CD2-CB 3.71Å; L226-F234 HydrophobicContact CD1-CE2 4.09Å; L226-F234 HydrophobicContact CD2-CD2 4.09Å; L226-F234 HydrophobicContact CD2-CE2 3.98Å; L226-F234 HydrophobicContact CG-CE2 4.49Å; L226-L244 HydrophobicContact CD1-CD2 3.76Å | ||
| 227 | D | 79.7 | Confident | 78.4 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | trans | -58.5 | 131.2 | -178.1 | -109.8 | -3.4 | 0 | 0 | 0 | 111.4 | E229 L230 K231 K267 | D227-E229 PolarHBondContact O-N 3.44Å; D227-E229 VanDerWaalsContact O-N 3.15Å; D227-L230 HydrophobicContact CB-CB 4.33Å; D227-L230 HydrophobicContact CB-CD1 3.91Å; D227-L230 HydrophobicContact CB-CG 3.94Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.98Å; D227-K231 PolarHBondContact O-N 2.92Å; D227-K267 VanDerWaalsContact CG-NZ 3.32Å; D227-K267 IonicContact OD1-NZ 3.5Å; D227-K267 IonicContact OD2-NZ 2.72Å; D227-K267 PolarHBondContact OD2-NZ 2.89Å | ||
| 228 | P | 81.6 | Confident | 78.8 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.5 | -32.8 | -178 | -28.6 | 35.8 | 0 | 0 | 0 | 114.7 | K231 N232 | P228-K231 PolarHBondContact O-N 2.96Å; P228-N232 WeakPolarHBondContact O-CB 3.34Å; P228-N232 PolarHBondContact O-N 3.41Å |
| 229 | E | 79.7 | Confident | 79.4 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.8 | -29 | 175.5 | -59.8 | 103.9 | 143.8 | 0 | 0 | 113.2 | D227 L233 K267 | D227-E229 PolarHBondContact O-N 3.44Å; D227-E229 VanDerWaalsContact O-N 3.15Å; E229-L233 PolarHBondContact O-N 2.89Å; E229-K267 HydrophobicContact CB-CG 4.22Å; E229-K267 VanDerWaalsContact CD-CE 3.44Å; E229-K267 HydrophobicContact CG-CG 4.43Å; E229-K267 VanDerWaalsContact OE1-CE 3.29Å; E229-K267 WeakPolarHBondContact OE1-CE 3.19Å; E229-K267 IonicContact OE1-NZ 3.41Å; E229-K267 VanDerWaalsContact OE2-CE 3.27Å; E229-K267 WeakPolarHBondContact OE2-CE 3.45Å; E229-K267 IonicContact OE2-NZ 3.75Å; E229-K267 PolarHBondContact OE2-NZ 3.01Å |
| 230 | L | 79.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -76.5 | -38.2 | 172.9 | -61.3 | 177.6 | 0 | 0 | 0 | 111.1 | I213 L226 D227 N232 L233 F234 V263 V266 | I213-L230 HydrophobicContact CG2-CD1 3.33Å; L226-L230 HydrophobicContact CD2-CB 4.06Å; D227-L230 HydrophobicContact CB-CB 4.33Å; D227-L230 HydrophobicContact CB-CD1 3.91Å; D227-L230 HydrophobicContact CB-CG 3.94Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.98Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 3.13Å; L230-L233 WeakPolarHBondContact O-CB 3.01Å; L230-L233 PolarHBondContact O-N 3.45Å; L230-L233 VanDerWaalsContact O-N 3.14Å; L230-F234 HydrophobicContact CB-CE2 3.98Å; L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 WeakPolarHBondContact O-CG 3.31Å; L230-F234 PolarHBondContact O-N 2.76Å; L230-V263 HydrophobicContact CD1-CG1 3.71Å; L230-V263 HydrophobicContact CD2-CG1 4.14Å; L230-V263 HydrophobicContact CG-CG1 4.29Å; L230-V266 HydrophobicContact CD2-CG1 4.24Å |
| 231 | K | 82.6 | Confident | 79.8 | Confident | 125 Ų | 125 | 59.6 Ų | 59.6 | 54% | 0.543 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 171.2 | -174.1 | 172.6 | 178.8 | 173.3 | 0 | 110.1 | L226 D227 P228 L233 F234 D235 | L226-K231 HydrophobicContact CD2-CB 3.71Å; D227-K231 PolarHBondContact O-N 2.92Å; P228-K231 PolarHBondContact O-N 2.96Å; K231-L233 VanDerWaalsContact C-N 3.33Å; K231-L233 PolarHBondContact O-N 3.17Å; K231-F234 PolarHBondContact O-N 3.04Å; K231-F234 VanDerWaalsContact O-N 3.14Å; K231-D235 WeakPolarHBondContact O-CB 3.46Å; K231-D235 PolarHBondContact O-N 3.26Å |
| 232 | N | 83.8 | Confident | 79.8 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 176.1 | -173.3 | -117.5 | 0 | 0 | 0 | 113.3 | P228 L230 L236 | P228-N232 WeakPolarHBondContact O-CB 3.34Å; P228-N232 PolarHBondContact O-N 3.41Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 3.13Å; N232-L236 VanDerWaalsContact O-CB 3.24Å; N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CD1 3.28Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 2.98Å; N232-L236 WeakPolarHBondContact OD1-CD1 3.46Å |
| 233 | L | 84.4 | Confident | 80 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 171.9 | -179.8 | 82.2 | 0 | 0 | 0 | 111.8 | E229 L230 K231 L236 A237 V266 V270 I464 V465 L468 | E229-L233 PolarHBondContact O-N 2.89Å; L230-L233 WeakPolarHBondContact O-CB 3.01Å; L230-L233 PolarHBondContact O-N 3.45Å; L230-L233 VanDerWaalsContact O-N 3.14Å; K231-L233 VanDerWaalsContact C-N 3.33Å; K231-L233 PolarHBondContact O-N 3.17Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.9Å; L233-V266 HydrophobicContact CD1-CG1 4.39Å; L233-V266 HydrophobicContact CD2-CG1 3.52Å; L233-V270 HydrophobicContact CB-CG2 4.34Å; L233-V270 HydrophobicContact CD1-CG2 3.52Å; L233-V270 HydrophobicContact CG-CG2 4.47Å; L233-I464 HydrophobicContact CD1-CG2 3.86Å; L233-V465 HydrophobicContact CD1-CG2 3.67Å; L233-L468 HydrophobicContact CD2-CD2 3.93Å; L233-L468 HydrophobicContact CG-CD2 4.1Å |
| 234 | F | 85.4 | Confident | 80.6 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69 | -43.3 | 179.4 | -57.7 | -35.9 | 0 | 0 | 0 | 111.6 | F221 L226 L230 K231 L236 A237 G238 I239 L244 I253 I257 L468 | F221-F234 HydrophobicContact CE1-CZ 4.34Å; F221-F234 HydrophobicContact CZ-CZ 4.32Å; L226-F234 HydrophobicContact CD1-CE2 4.09Å; L226-F234 HydrophobicContact CD2-CD2 4.09Å; L226-F234 HydrophobicContact CD2-CE2 3.98Å; L226-F234 HydrophobicContact CG-CE2 4.49Å; L230-F234 HydrophobicContact CB-CE2 3.98Å; L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 WeakPolarHBondContact O-CG 3.31Å; L230-F234 PolarHBondContact O-N 2.76Å; K231-F234 PolarHBondContact O-N 3.04Å; K231-F234 VanDerWaalsContact O-N 3.14Å; F234-L236 VanDerWaalsContact C-N 3.33Å; F234-L236 PolarHBondContact O-N 2.61Å; F234-A237 CarbonylContact O-C 3.58Å; F234-A237 PolarHBondContact O-N 3.41Å; F234-G238 PolarHBondContact O-N 3.36Å; F234-G238 VanDerWaalsContact O-N 3.12Å; F234-I239 HydrophobicContact CB-CB 4.15Å; F234-I239 HydrophobicContact CD1-CD1 4.1Å; F234-I239 PolarHBondContact O-N 2.63Å; F234-L244 HydrophobicContact CB-CD1 4.36Å; F234-L244 HydrophobicContact CD1-CD1 4.27Å; F234-L244 HydrophobicContact CD2-CD1 3.64Å; F234-L244 HydrophobicContact CD2-CD2 3.73Å; F234-L244 HydrophobicContact CD2-CG 4.31Å; F234-L244 HydrophobicContact CE2-CD1 3.94Å; F234-L244 HydrophobicContact CE2-CD2 4.05Å; F234-L244 HydrophobicContact CE2-CG 4.48Å; F234-L244 HydrophobicContact CG-CD1 3.83Å; F234-L244 HydrophobicContact CZ-CD1 4.37Å; F234-I253 HydrophobicContact CD1-CG2 4.24Å; F234-I253 HydrophobicContact CE1-CG2 3.38Å; F234-I253 HydrophobicContact CZ-CG2 3.82Å; F234-I257 HydrophobicContact CE1-CD1 4.09Å; F234-I257 HydrophobicContact CZ-CD1 3.89Å; F234-L468 HydrophobicContact CD1-CD2 4.07Å; F234-L468 HydrophobicContact CE1-CD2 4.21Å |
| 235 | D | 84.8 | Confident | 81.1 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.8 | -62.1 | -29.6 | 0 | 0 | 0 | 110.9 | K231 G238 | K231-D235 WeakPolarHBondContact O-CB 3.46Å; K231-D235 PolarHBondContact O-N 3.26Å; D235-G238 PolarHBondContact O-N 3.43Å |
| 236 | L | 82.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 56.1 Ų | 56.1 | 47% | 0.466 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.4 | -31 | 176.7 | -81.3 | 164.4 | 0 | 0 | 0 | 113.7 | N232 L233 F234 G238 V465 M469 | N232-L236 VanDerWaalsContact O-CB 3.24Å; N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CD1 3.28Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 2.98Å; N232-L236 WeakPolarHBondContact OD1-CD1 3.46Å; L233-L236 PolarHBondContact O-N 2.86Å; F234-L236 VanDerWaalsContact C-N 3.33Å; F234-L236 PolarHBondContact O-N 2.61Å; L236-G238 VanDerWaalsContact C-N 3.28Å; L236-V465 HydrophobicContact CB-CG1 3.9Å; L236-V465 HydrophobicContact CB-CG2 4.24Å; L236-V465 HydrophobicContact CD1-CG2 4.38Å; L236-M469 WeakPolarHBondContact O-CE 3.3Å |
| 237 | A | 82.4 | Confident | 81.9 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L233 F234 I239 L468 | L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.9Å; F234-A237 CarbonylContact O-C 3.58Å; F234-A237 PolarHBondContact O-N 3.41Å; A237-I239 VanDerWaalsContact C-N 3.33Å; A237-I239 HydrophobicContact CB-CD1 3.96Å; A237-I239 HydrophobicContact CB-CG1 4.01Å; A237-L468 HydrophobicContact CB-CD2 4.02Å; A237-L468 HydrophobicContact CB-CG 4.14Å |
| 238 | G | 81.4 | Confident | 82 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 19 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | F234 D235 L236 | F234-G238 PolarHBondContact O-N 3.36Å; F234-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 PolarHBondContact O-N 3.43Å; L236-G238 VanDerWaalsContact C-N 3.28Å |
| 239 | I | 82.9 | Confident | 82 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | trans | -86 | 116.9 | -177.1 | -59.8 | 173.9 | 0 | 0 | 0 | 109.5 | F234 A237 Q243 L244 I253 L468 M472 | F234-I239 HydrophobicContact CB-CB 4.15Å; F234-I239 HydrophobicContact CD1-CD1 4.1Å; F234-I239 PolarHBondContact O-N 2.63Å; A237-I239 VanDerWaalsContact C-N 3.33Å; A237-I239 HydrophobicContact CB-CD1 3.96Å; A237-I239 HydrophobicContact CB-CG1 4.01Å; I239-Q243 HydrophobicContact CG2-CB 3.94Å; I239-L244 HydrophobicContact CG2-CD1 3.71Å; I239-I253 HydrophobicContact CD1-CD1 3.92Å; I239-I253 HydrophobicContact CD1-CG1 4.16Å; I239-I253 HydrophobicContact CG2-CD1 3.77Å; I239-L468 HydrophobicContact CD1-CD1 4.12Å; I239-L468 HydrophobicContact CD1-CD2 3.74Å; I239-L468 HydrophobicContact CD1-CG 3.82Å; I239-M472 HydrophobicContact CD1-CG 3.8Å; I239-M472 HydrophobicContact CD1-SD 4.47Å; I239-M472 HydrophobicContact CG1-CG 4Å | ||
| 240 | S | 80.6 | Confident | 82.2 | Confident | 56 Ų | 56 | 57.6 Ų | 57.6 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | trans | -77.3 | 160.2 | -179.9 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | A242 Q243 L244 | S240-A242 PolarHBondContact O-N 3.09Å; S240-Q243 PolarHBondContact O-N 3.22Å; S240-Q243 VanDerWaalsContact O-N 3.13Å; S240-Q243 PolarHBondContact OG-N 3.09Å; S240-Q243 PolarHBondContact OG-OE1 2.98Å; S240-L244 PolarHBondContact O-N 2.61Å; S240-L244 VanDerWaalsContact O-N 3.1Å | ||
| 241 | E | 79 | Confident | 82.5 | Confident | 105 Ų | 105 | 62.2 Ų | 62.2 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.6 | -36.4 | 173.8 | -171.9 | -174 | 130.1 | 0 | 0 | 112.9 | M223 L244 K245 | M223-E241 HydrophobicContact CE-CG 3.62Å; M223-E241 WeakPolarHBondContact CE-OE1 3.36Å; M223-E241 WeakPolarHBondContact CE-OE2 3.46Å; M223-E241 HydrophobicContact CG-CG 4.45Å; M223-E241 VanDerWaalsContact SD-CD 3.54Å; M223-E241 HydrophobicContact SD-CG 3.46Å; M223-E241 WeakPolarHBondContact SD-CG 3.22Å; E241-L244 WeakPolarHBondContact O-CB 3.36Å; E241-L244 PolarHBondContact O-N 2.67Å; E241-K245 PolarHBondContact O-N 2.9Å; E241-K245 VanDerWaalsContact O-N 3.09Å; E241-K245 WeakPolarHBondContact OE1-CE 3.38Å; E241-K245 IonicContact OE1-NZ 2.99Å; E241-K245 PolarHBondContact OE1-NZ 2.97Å |
| 242 | A | 80.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 60% | 0.595 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S240 L244 K245 D246 | S240-A242 PolarHBondContact O-N 3.09Å; A242-L244 VanDerWaalsContact C-N 3.27Å; A242-L244 PolarHBondContact O-N 2.9Å; A242-K245 PolarHBondContact O-N 3.49Å; A242-D246 PolarHBondContact O-N 3.21Å |
| 243 | Q | 80.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -27 | 175.1 | -73.8 | 163.2 | -38.6 | 0 | 0 | 112.8 | I239 S240 T249 S250 | I239-Q243 HydrophobicContact CG2-CB 3.94Å; S240-Q243 PolarHBondContact O-N 3.22Å; S240-Q243 VanDerWaalsContact O-N 3.13Å; S240-Q243 PolarHBondContact OG-N 3.09Å; S240-Q243 PolarHBondContact OG-OE1 2.98Å; Q243-T249 HydrophobicContact CB-CG2 3.79Å; Q243-T249 HydrophobicContact CG-CG2 4.23Å; Q243-T249 WeakPolarHBondContact O-CB 3.42Å; Q243-T249 WeakPolarHBondContact O-CG2 3.44Å; Q243-S250 PolarHBondContact O-N 2.82Å |
| 244 | L | 81.4 | Confident | 82.7 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.3 | -25.2 | 175.4 | -130.7 | 71.7 | 0 | 0 | 0 | 113.1 | F221 L226 F234 I239 S240 E241 A242 S250 I253 | F221-L244 HydrophobicContact CB-CD2 3.98Å; F221-L244 HydrophobicContact CB-CG 3.83Å; F221-L244 HydrophobicContact CD2-CD1 4.04Å; F221-L244 HydrophobicContact CD2-CD2 4.49Å; F221-L244 HydrophobicContact CD2-CG 3.64Å; F221-L244 HydrophobicContact CE2-CD1 4.41Å; F221-L244 HydrophobicContact CE2-CG 4.47Å; F221-L244 HydrophobicContact CG-CD2 4.31Å; F221-L244 HydrophobicContact CG-CG 3.91Å; F221-L244 PolarHBondContact N-O 3.14Å; L226-L244 HydrophobicContact CD1-CD2 3.76Å; F234-L244 HydrophobicContact CB-CD1 4.36Å; F234-L244 HydrophobicContact CD1-CD1 4.27Å; F234-L244 HydrophobicContact CD2-CD1 3.64Å; F234-L244 HydrophobicContact CD2-CD2 3.73Å; F234-L244 HydrophobicContact CD2-CG 4.31Å; F234-L244 HydrophobicContact CE2-CD1 3.94Å; F234-L244 HydrophobicContact CE2-CD2 4.05Å; F234-L244 HydrophobicContact CE2-CG 4.48Å; F234-L244 HydrophobicContact CG-CD1 3.83Å; F234-L244 HydrophobicContact CZ-CD1 4.37Å; I239-L244 HydrophobicContact CG2-CD1 3.71Å; S240-L244 PolarHBondContact O-N 2.61Å; S240-L244 VanDerWaalsContact O-N 3.1Å; E241-L244 WeakPolarHBondContact O-CB 3.36Å; E241-L244 PolarHBondContact O-N 2.67Å; A242-L244 VanDerWaalsContact C-N 3.27Å; A242-L244 PolarHBondContact O-N 2.9Å; L244-S250 VanDerWaalsContact O-CB 3.32Å; L244-S250 WeakPolarHBondContact O-CB 3.37Å; L244-I253 HydrophobicContact CD1-CD1 3.99Å |
| 245 | K | 82.1 | Confident | 82.8 | Confident | 104 Ų | 104 | 59.6 Ų | 59.6 | 45% | 0.452 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.1 | -29.8 | 172.8 | -72.1 | 174.4 | 179.1 | 167.7 | 0 | 113.2 | M223 E241 A242 K247 | M223-K245 WeakPolarHBondContact SD-CE 3.49Å; E241-K245 PolarHBondContact O-N 2.9Å; E241-K245 VanDerWaalsContact O-N 3.09Å; E241-K245 WeakPolarHBondContact OE1-CE 3.38Å; E241-K245 IonicContact OE1-NZ 2.99Å; E241-K245 PolarHBondContact OE1-NZ 2.97Å; A242-K245 PolarHBondContact O-N 3.49Å; K245-K247 PolarHBondContact O-N 3.13Å |
| 246 | D | 83.3 | Confident | 82.8 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -56.5 | 133.8 | 177.1 | 172.4 | 47.3 | 0 | 0 | 0 | 111 | A242 E248 T249 S250 | A242-D246 PolarHBondContact O-N 3.21Å; D246-E248 PolarHBondContact O-N 3.22Å; D246-E248 PolarHBondContact OD2-N 3.15Å; D246-T249 WeakPolarHBondContact OD2-CB 3.38Å; D246-T249 PolarHBondContact OD2-N 3.5Å; D246-T249 PolarHBondContact OD2-OG1 2.81Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.1Å; D246-S250 PolarHBondContact O-OG 3.06Å |
| 247 | K | 81.6 | Confident | 83 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 59% | 0.587 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.4 | -37.6 | -169.6 | -175.9 | -178.8 | 176.3 | -172.4 | 0 | 112.2 | K245 S250 K251 | K245-K247 PolarHBondContact O-N 3.13Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-K251 WeakPolarHBondContact O-CB 3.39Å; K247-K251 PolarHBondContact O-N 3.01Å |
| 248 | E | 81.4 | Confident | 83 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -85.9 | -44.2 | -176.1 | -157.8 | -148.6 | 125.9 | 0 | 0 | 111.1 | D246 K251 A252 R475 | D246-E248 PolarHBondContact O-N 3.22Å; D246-E248 PolarHBondContact OD2-N 3.15Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 PolarHBondContact O-N 3.33Å; E248-A252 PolarHBondContact O-N 3.02Å; E248-R475 IonicContact OE1-CZ 3.63Å; E248-R475 VanDerWaalsContact OE1-CZ 3.22Å; E248-R475 IonicContact OE1-NE 2.67Å; E248-R475 PolarHBondContact OE1-NE 3.06Å; E248-R475 IonicContact OE1-NH2 3.81Å; E248-R475 PolarHBondContact OE1-NH2 2.96Å; E248-R475 IonicContact OE2-NH2 2.61Å; E248-R475 PolarHBondContact OE2-NH2 3.3Å |
| 249 | T | 82.9 | Confident | 83.1 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.6 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | Q243 D246 K251 A252 I253 M472 R475 | Q243-T249 HydrophobicContact CB-CG2 3.79Å; Q243-T249 HydrophobicContact CG-CG2 4.23Å; Q243-T249 WeakPolarHBondContact O-CB 3.42Å; Q243-T249 WeakPolarHBondContact O-CG2 3.44Å; D246-T249 WeakPolarHBondContact OD2-CB 3.38Å; D246-T249 PolarHBondContact OD2-N 3.5Å; D246-T249 PolarHBondContact OD2-OG1 2.81Å; T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.91Å; T249-A252 WeakPolarHBondContact O-CB 3.09Å; T249-A252 PolarHBondContact O-N 3.15Å; T249-A252 VanDerWaalsContact O-N 3.14Å; T249-I253 HydrophobicContact CG2-CD1 3.95Å; T249-I253 VanDerWaalsContact O-CG1 3.3Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å; T249-M472 HydrophobicContact CG2-CE 3.58Å; T249-M472 HydrophobicContact CG2-SD 3.87Å; T249-R475 PolarHBondContact OG1-NH1 2.91Å |
| 250 | S | 83.8 | Confident | 83 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 176.7 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | W215 G220 F221 Q243 L244 D246 K247 I253 Y254 | W215-S250 PolarHBondContact NE1-O 3.24Å; W215-S250 PolarHBondContact NE1-OG 2.88Å; W215-S250 VanDerWaalsContact NE1-OG 3.09Å; G220-S250 WeakPolarHBondContact CA-OG 3.35Å; F221-S250 VanDerWaalsContact CE2-O 3.28Å; F221-S250 WeakPolarHBondContact CE2-O 3.46Å; Q243-S250 PolarHBondContact O-N 2.82Å; L244-S250 VanDerWaalsContact O-CB 3.32Å; L244-S250 WeakPolarHBondContact O-CB 3.37Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.1Å; D246-S250 PolarHBondContact O-OG 3.06Å; K247-S250 PolarHBondContact O-OG 3.03Å; S250-I253 PolarHBondContact O-N 3.05Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.87Å |
| 251 | K | 85.6 | Confident | 82.8 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 172.3 | -174.4 | -172.2 | 166.7 | -65.8 | 0 | 111.4 | W215 K247 E248 T249 I253 Y254 D255 | W215-K251 HydrophobicContact CH2-CB 4.36Å; W215-K251 HydrophobicContact CH2-CG 4.16Å; W215-K251 HydrophobicContact CZ2-CB 3.79Å; W215-K251 HydrophobicContact CZ2-CG 4.1Å; K247-K251 WeakPolarHBondContact O-CB 3.39Å; K247-K251 PolarHBondContact O-N 3.01Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 PolarHBondContact O-N 3.33Å; T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.91Å; K251-I253 VanDerWaalsContact C-N 3.32Å; K251-I253 PolarHBondContact O-N 2.83Å; K251-Y254 PolarHBondContact O-N 3.15Å; K251-D255 IonicContact NZ-OD1 2.85Å; K251-D255 IonicContact NZ-OD2 3.22Å; K251-D255 PolarHBondContact NZ-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.28Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 3.25Å |
| 252 | A | 85.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 29% | 0.289 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E248 T249 F256 | E248-A252 PolarHBondContact O-N 3.02Å; T249-A252 WeakPolarHBondContact O-CB 3.09Å; T249-A252 PolarHBondContact O-N 3.15Å; T249-A252 VanDerWaalsContact O-N 3.14Å; A252-F256 WeakPolarHBondContact O-CB 3.3Å; A252-F256 PolarHBondContact O-N 3.04Å |
| 253 | I | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 174.9 | -63.9 | 162.1 | 0 | 0 | 0 | 111 | F221 F234 I239 L244 T249 S250 K251 F256 I257 L468 M472 | F221-I253 HydrophobicContact CE2-CB 3.95Å; F221-I253 HydrophobicContact CE2-CG2 3.83Å; F221-I253 HydrophobicContact CZ-CB 4.25Å; F221-I253 HydrophobicContact CZ-CG2 3.8Å; F234-I253 HydrophobicContact CD1-CG2 4.24Å; F234-I253 HydrophobicContact CE1-CG2 3.38Å; F234-I253 HydrophobicContact CZ-CG2 3.82Å; I239-I253 HydrophobicContact CD1-CD1 3.92Å; I239-I253 HydrophobicContact CD1-CG1 4.16Å; I239-I253 HydrophobicContact CG2-CD1 3.77Å; L244-I253 HydrophobicContact CD1-CD1 3.99Å; T249-I253 HydrophobicContact CG2-CD1 3.95Å; T249-I253 VanDerWaalsContact O-CG1 3.3Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å; S250-I253 PolarHBondContact O-N 3.05Å; K251-I253 VanDerWaalsContact C-N 3.32Å; K251-I253 PolarHBondContact O-N 2.83Å; I253-F256 PolarHBondContact O-N 3.36Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 WeakPolarHBondContact O-CG1 3.44Å; I253-I257 PolarHBondContact O-N 3.11Å; I253-L468 HydrophobicContact CG1-CD1 4.42Å; I253-M472 HydrophobicContact CD1-SD 4.34Å; I253-M472 HydrophobicContact CG1-SD 4.08Å |
| 254 | Y | 85.3 | Confident | 82.4 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -50.5 | 175.2 | -178 | -87.7 | 0 | 0 | 0 | 111.9 | I213 W215 S250 K251 F256 I257 E258 | I213-Y254 HydrophobicContact CD1-CD2 3.82Å; I213-Y254 HydrophobicContact CD1-CE2 3.79Å; W215-Y254 HydrophobicContact CB-CD2 3.87Å; W215-Y254 HydrophobicContact CB-CE2 4.37Å; W215-Y254 AromaticContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CE2 4.33Å; W215-Y254 AromaticContact CD2-CG 3.78Å; W215-Y254 HydrophobicContact CD2-CG 3.78Å; W215-Y254 AromaticContact CE3-CD1 3.98Å; W215-Y254 HydrophobicContact CE3-CD1 3.98Å; W215-Y254 AromaticContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CD2 3.4Å; W215-Y254 VanDerWaalsContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CE1 4.26Å; W215-Y254 AromaticContact CE3-CE2 3.72Å; W215-Y254 HydrophobicContact CE3-CE2 3.72Å; W215-Y254 AromaticContact CE3-CG 3.55Å; W215-Y254 HydrophobicContact CE3-CG 3.55Å; W215-Y254 AromaticContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CG 4.31Å; W215-Y254 HydrophobicContact CH2-CD1 4.45Å; W215-Y254 HydrophobicContact CH2-CG 4.44Å; W215-Y254 AromaticContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD2 4.16Å; W215-Y254 HydrophobicContact CZ3-CE1 4.16Å; W215-Y254 HydrophobicContact CZ3-CE2 4.42Å; W215-Y254 AromaticContact CZ3-CG 3.89Å; W215-Y254 HydrophobicContact CZ3-CG 3.89Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.87Å; K251-Y254 PolarHBondContact O-N 3.15Å; Y254-F256 PolarHBondContact O-N 2.81Å; Y254-I257 PolarHBondContact O-N 3.09Å; Y254-I257 VanDerWaalsContact O-N 3.13Å; Y254-E258 PolarHBondContact O-N 3.33Å |
| 255 | D | 85.9 | Confident | 82.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -35.6 | 178.2 | -69.7 | -7.6 | 0 | 0 | 0 | 111.2 | K251 K259 | K251-D255 IonicContact NZ-OD1 2.85Å; K251-D255 IonicContact NZ-OD2 3.22Å; K251-D255 PolarHBondContact NZ-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.28Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 3.25Å; D255-K259 WeakPolarHBondContact O-CB 3.42Å; D255-K259 PolarHBondContact O-N 2.95Å |
| 256 | F | 86.3 | Confident | 82.3 | Confident | 30 Ų | 30 | 54 Ų | 54 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 173.7 | -179.3 | -85.8 | 0 | 0 | 0 | 112 | A252 I253 Y254 E258 K259 N260 I464 A467 L468 A471 | A252-F256 WeakPolarHBondContact O-CB 3.3Å; A252-F256 PolarHBondContact O-N 3.04Å; I253-F256 PolarHBondContact O-N 3.36Å; Y254-F256 PolarHBondContact O-N 2.81Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.08Å; F256-K259 PolarHBondContact O-N 3.05Å; F256-N260 WeakPolarHBondContact O-CB 3.18Å; F256-N260 PolarHBondContact O-N 2.97Å; F256-N260 PolarHBondContact O-OD1 2.85Å; F256-I464 HydrophobicContact CE1-CD1 3.52Å; F256-I464 HydrophobicContact CE1-CG1 4.23Å; F256-I464 HydrophobicContact CZ-CD1 3.9Å; F256-A467 HydrophobicContact CE2-CB 4.24Å; F256-A467 HydrophobicContact CZ-CB 3.77Å; F256-L468 HydrophobicContact CB-CD1 4.47Å; F256-L468 HydrophobicContact CD1-CB 4.24Å; F256-L468 HydrophobicContact CD1-CD1 3.74Å; F256-L468 HydrophobicContact CD1-CG 4.46Å; F256-L468 HydrophobicContact CE1-CB 3.65Å; F256-L468 HydrophobicContact CE1-CD1 4.06Å; F256-L468 HydrophobicContact CE1-CG 4.33Å; F256-L468 HydrophobicContact CG-CD1 4.01Å; F256-L468 HydrophobicContact CZ-CB 3.85Å; F256-L468 VanDerWaalsContact CZ-N 3.32Å; F256-A471 HydrophobicContact CD2-CB 4.18Å; F256-A471 HydrophobicContact CE2-CB 4.25Å |
| 257 | I | 85.1 | Confident | 82 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.6 | -68.1 | 165.4 | 0 | 0 | 0 | 110.8 | I213 F234 I253 Y254 N260 G262 V263 V266 | I213-I257 HydrophobicContact CD1-CG2 4.09Å; F234-I257 HydrophobicContact CE1-CD1 4.09Å; F234-I257 HydrophobicContact CZ-CD1 3.89Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 WeakPolarHBondContact O-CG1 3.44Å; I253-I257 PolarHBondContact O-N 3.11Å; Y254-I257 PolarHBondContact O-N 3.09Å; Y254-I257 VanDerWaalsContact O-N 3.13Å; I257-N260 PolarHBondContact O-N 3.03Å; I257-G262 VanDerWaalsContact O-CA 3.23Å; I257-G262 WeakPolarHBondContact O-CA 3.4Å; I257-G262 PolarHBondContact O-N 3.44Å; I257-V263 HydrophobicContact CG2-CG2 4.46Å; I257-V266 HydrophobicContact CG2-CG2 4.18Å |
| 258 | E | 82.8 | Confident | 81.9 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.7 | -48.9 | 176 | -172.7 | 174.3 | -154.9 | 0 | 0 | 111.3 | Y254 F256 N260 G261 G262 | Y254-E258 PolarHBondContact O-N 3.33Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.08Å; E258-N260 PolarHBondContact O-N 3.33Å; E258-G261 PolarHBondContact O-N 3.32Å; E258-G262 PolarHBondContact O-N 2.89Å |
| 259 | K | 84.3 | Confident | 81.6 | Confident | 184 Ų | 184 | 48.7 Ų | 48.7 | 80% | 0.8 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.6 | -29.9 | 178.5 | -172.7 | 174.8 | -177.7 | 179.2 | 0 | 113.2 | D255 F256 G261 | D255-K259 WeakPolarHBondContact O-CB 3.42Å; D255-K259 PolarHBondContact O-N 2.95Å; F256-K259 PolarHBondContact O-N 3.05Å; K259-G261 VanDerWaalsContact C-N 3.27Å; K259-G261 PolarHBondContact O-N 2.74Å |
| 260 | N | 80.6 | Confident | 81.2 | Confident | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 17.7 | 178.8 | -74.9 | 54.8 | 0 | 0 | 0 | 113.8 | F256 I257 E258 A265 V266 I464 | F256-N260 WeakPolarHBondContact O-CB 3.18Å; F256-N260 PolarHBondContact O-N 2.97Å; F256-N260 PolarHBondContact O-OD1 2.85Å; I257-N260 PolarHBondContact O-N 3.03Å; E258-N260 PolarHBondContact O-N 3.33Å; N260-A265 WeakPolarHBondContact O-CB 3.34Å; N260-V266 HydrophobicContact CB-CG2 4.27Å; N260-I464 HydrophobicContact CB-CD1 3.82Å; N260-I464 WeakPolarHBondContact ND2-CD1 3.18Å |
| 261 | G | 76.8 | Confident | 80.8 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 13.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q208 E258 K259 A265 | Q208-G261 PolarHBondContact NE2-O 2.84Å; E258-G261 PolarHBondContact O-N 3.32Å; K259-G261 VanDerWaalsContact C-N 3.27Å; K259-G261 PolarHBondContact O-N 2.74Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å |
| 262 | G | 79.6 | Confident | 80.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | trans | 82.6 | 176.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I257 E258 E264 A265 V266 | I257-G262 VanDerWaalsContact O-CA 3.23Å; I257-G262 WeakPolarHBondContact O-CA 3.4Å; I257-G262 PolarHBondContact O-N 3.44Å; E258-G262 PolarHBondContact O-N 2.89Å; G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.22Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 2.93Å; G262-V266 PolarHBondContact O-N 3.43Å | ||
| 263 | V | 75.3 | Confident | 79.1 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.1 | -49.8 | -174.1 | -159.6 | 0 | 0 | 0 | 0 | 113.1 | N211 I213 L230 I257 A265 V266 K267 | N211-V263 WeakPolarHBondContact O-CG2 3.37Å; I213-V263 HydrophobicContact CD1-CG2 3.61Å; I213-V263 HydrophobicContact CG1-CG1 4.47Å; I213-V263 HydrophobicContact CG1-CG2 3.37Å; L230-V263 HydrophobicContact CD1-CG1 3.71Å; L230-V263 HydrophobicContact CD2-CG1 4.14Å; L230-V263 HydrophobicContact CG-CG1 4.29Å; I257-V263 HydrophobicContact CG2-CG2 4.46Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.49Å; V263-V266 PolarHBondContact O-N 3.13Å; V263-K267 WeakPolarHBondContact O-CB 3.45Å; V263-K267 PolarHBondContact O-N 3.24Å |
| 264 | E | 75.4 | Confident | 77.8 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -31.4 | -175.8 | -69.5 | -66.3 | 105.9 | 0 | 0 | 112 | G262 N268 | G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.22Å; E264-N268 VanDerWaalsContact O-CB 3.22Å; E264-N268 WeakPolarHBondContact O-CB 3.24Å; E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.12Å |
| 265 | A | 81.5 | Confident | 76.3 | Confident | 40 Ų | 40 | 70 Ų | 70 | 33% | 0.331 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -48.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N260 G261 G262 V263 N268 E269 | N260-A265 WeakPolarHBondContact O-CB 3.34Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 2.93Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.49Å; A265-N268 PolarHBondContact O-N 2.89Å; A265-E269 WeakPolarHBondContact O-CB 3.33Å; A265-E269 PolarHBondContact O-N 2.98Å |
| 266 | V | 79.7 | Confident | 74.7 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L230 L233 I257 N260 G262 V263 N268 E269 V270 I464 | L230-V266 HydrophobicContact CD2-CG1 4.24Å; L233-V266 HydrophobicContact CD1-CG1 4.39Å; L233-V266 HydrophobicContact CD2-CG1 3.52Å; I257-V266 HydrophobicContact CG2-CG2 4.18Å; N260-V266 HydrophobicContact CB-CG2 4.27Å; G262-V266 PolarHBondContact O-N 3.43Å; V263-V266 PolarHBondContact O-N 3.13Å; V266-N268 PolarHBondContact O-N 3.3Å; V266-E269 PolarHBondContact O-N 3.18Å; V266-E269 VanDerWaalsContact O-N 3.15Å; V266-V270 WeakPolarHBondContact O-CG2 3.47Å; V266-V270 PolarHBondContact O-N 2.88Å; V266-I464 HydrophobicContact CB-CG1 4.47Å; V266-I464 HydrophobicContact CG1-CG1 4Å; V266-I464 HydrophobicContact CG2-CD1 4.15Å; V266-I464 HydrophobicContact CG2-CG1 4.07Å |
| 267 | K | 77.8 | Confident | 73.2 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 17% | 0.165 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.9 | 178.6 | 163.5 | 170.9 | 141.8 | 0 | 112.5 | D227 E229 V263 E269 R271 | D227-K267 VanDerWaalsContact CG-NZ 3.32Å; D227-K267 IonicContact OD1-NZ 3.5Å; D227-K267 IonicContact OD2-NZ 2.72Å; D227-K267 PolarHBondContact OD2-NZ 2.89Å; E229-K267 HydrophobicContact CB-CG 4.22Å; E229-K267 VanDerWaalsContact CD-CE 3.44Å; E229-K267 HydrophobicContact CG-CG 4.43Å; E229-K267 VanDerWaalsContact OE1-CE 3.29Å; E229-K267 WeakPolarHBondContact OE1-CE 3.19Å; E229-K267 IonicContact OE1-NZ 3.41Å; E229-K267 VanDerWaalsContact OE2-CE 3.27Å; E229-K267 WeakPolarHBondContact OE2-CE 3.45Å; E229-K267 IonicContact OE2-NZ 3.75Å; E229-K267 PolarHBondContact OE2-NZ 3.01Å; V263-K267 WeakPolarHBondContact O-CB 3.45Å; V263-K267 PolarHBondContact O-N 3.24Å; K267-E269 VanDerWaalsContact C-N 3.33Å; K267-R271 VanDerWaalsContact O-CB 3.25Å; K267-R271 WeakPolarHBondContact O-CB 3.41Å; K267-R271 PolarHBondContact O-N 3.41Å |
| 268 | N | 78.6 | Confident | 71.7 | Confident | 86 Ų | 86 | 82 Ų | 82 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.4 | -32.9 | 174 | -80.7 | -52.5 | 0 | 0 | 0 | 112.7 | E264 A265 V266 R272 | E264-N268 VanDerWaalsContact O-CB 3.22Å; E264-N268 WeakPolarHBondContact O-CB 3.24Å; E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.12Å; A265-N268 PolarHBondContact O-N 2.89Å; V266-N268 PolarHBondContact O-N 3.3Å; N268-R272 WeakPolarHBondContact O-CB 3.39Å; N268-R272 VanDerWaalsContact O-CG 3.26Å; N268-R272 WeakPolarHBondContact O-CG 3.27Å; N268-R272 PolarHBondContact O-N 2.9Å |
| 269 | E | 76.8 | Confident | 70.4 | Confident | 78 Ų | 78 | 81.4 Ų | 81.4 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.6 | -45.9 | 176.9 | -170.1 | 54.3 | -147.8 | 0 | 0 | 111.7 | A265 V266 K267 R271 R272 Q273 I464 | A265-E269 WeakPolarHBondContact O-CB 3.33Å; A265-E269 PolarHBondContact O-N 2.98Å; V266-E269 PolarHBondContact O-N 3.18Å; V266-E269 VanDerWaalsContact O-N 3.15Å; K267-E269 VanDerWaalsContact C-N 3.33Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.12Å; E269-R272 WeakPolarHBondContact O-CA 3.07Å; E269-R272 WeakPolarHBondContact O-CB 3.19Å; E269-R272 PolarHBondContact O-N 3.43Å; E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.06Å; E269-Q273 PolarHBondContact OE1-NE2 2.84Å; E269-I464 HydrophobicContact CB-CG2 4.25Å; E269-I464 HydrophobicContact CG-CB 4.28Å; E269-I464 HydrophobicContact CG-CG2 4.02Å |
| 270 | V | 74.8 | Confident | 69 | Low | 17 Ų | 17 | 78.8 Ų | 78.8 | 10% | 0.103 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L233 V266 R272 Q273 A274 I464 | L233-V270 HydrophobicContact CB-CG2 4.34Å; L233-V270 HydrophobicContact CD1-CG2 3.52Å; L233-V270 HydrophobicContact CG-CG2 4.47Å; V266-V270 WeakPolarHBondContact O-CG2 3.47Å; V266-V270 PolarHBondContact O-N 2.88Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 2.84Å; V270-Q273 PolarHBondContact O-N 3.31Å; V270-Q273 VanDerWaalsContact O-N 3.17Å; V270-A274 PolarHBondContact O-N 3.25Å; V270-A274 VanDerWaalsContact O-N 3.07Å; V270-I464 HydrophobicContact CG2-CG2 3.92Å |
| 271 | R | 74.3 | Confident | 67.9 | Low | 179 Ų | 179 | 87.7 Ų | 87.7 | 68% | 0.675 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.9 | -25.9 | 176.2 | -170.5 | 179.5 | -176.3 | 103.1 | 2.9 | 113.6 | K267 E269 | K267-R271 VanDerWaalsContact O-CB 3.25Å; K267-R271 WeakPolarHBondContact O-CB 3.41Å; K267-R271 PolarHBondContact O-N 3.41Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.12Å |
| 272 | R | 72.8 | Confident | 66.9 | Low | 203 Ų | 203 | 90.1 Ų | 90.1 | 77% | 0.766 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -80.7 | -25.6 | 174.7 | -81.4 | 168.9 | 163.1 | -109.6 | -5.5 | 113.1 | N268 E269 V270 | N268-R272 WeakPolarHBondContact O-CB 3.39Å; N268-R272 VanDerWaalsContact O-CG 3.26Å; N268-R272 WeakPolarHBondContact O-CG 3.27Å; N268-R272 PolarHBondContact O-N 2.9Å; E269-R272 WeakPolarHBondContact O-CA 3.07Å; E269-R272 WeakPolarHBondContact O-CB 3.19Å; E269-R272 PolarHBondContact O-N 3.43Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 2.84Å |
| 273 | Q | 62.7 | Low | 65.7 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -87.8 | -18.5 | 178.5 | -65.7 | 177.6 | 13.9 | 0 | 0 | 112.6 | E269 V270 | E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.06Å; E269-Q273 PolarHBondContact OE1-NE2 2.84Å; V270-Q273 PolarHBondContact O-N 3.31Å; V270-Q273 VanDerWaalsContact O-N 3.17Å |
| 274 | A | 57.1 | Low | 64.9 | Low | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -63.4 | 143.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | V270 | V270-A274 PolarHBondContact O-N 3.25Å; V270-A274 VanDerWaalsContact O-N 3.07Å |
| 275 | P | 53.8 | Low | 64.1 | Low | 114 Ų | 114 | 100.4 Ų | 100.4 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143.2 | 173.3 | -23.8 | 33.3 | 0 | 0 | 0 | 111.6 | ||
| 276 | P | 53.1 | Low | 63.3 | Low | 117 Ų | 117 | 104 Ų | 104 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.6 | 178.6 | 25 | -33.8 | 0 | 0 | 0 | 110 | ||
| 277 | P | 54.8 | Low | 62.4 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 75% | 0.753 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138.1 | -180 | 24.7 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 278 | P | 53.5 | Low | 61.6 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.1 | 177.4 | 24.9 | -33.6 | 0 | 0 | 0 | 110 | ||
| 279 | P | 55.6 | Low | 60.9 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.6 | 178.9 | 24.8 | -34.2 | 0 | 0 | 0 | 110.1 | R281 | P279-R281 PolarHBondContact O-N 3.28Š|
| 280 | P | 55.5 | Low | 59.7 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 84% | 0.844 | 70% | 0.696 | S | S | * | * | trans | -59.4 | 95.3 | -176.4 | -25.9 | 35 | 0 | 0 | 0 | 113.4 | G282 | P280-G282 PolarHBondContact O-N 3.05Å; P280-G282 VanDerWaalsContact O-N 3.07Å | ||
| 281 | R | 57.1 | Low | 58.2 | Low | 255 Ų | 255 | 124.4 Ų | 124.4 | 96% | 0.962 | 73% | 0.732 | S | S | * | * | trans | -76.9 | 85.4 | 167 | -78.4 | -179.7 | 115.8 | 157.3 | 0.8 | 108.8 | P279 | P279-R281 PolarHBondContact O-N 3.28Š| ||
| 282 | G | 54.7 | Low | 56.8 | Low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | trans | 170.6 | 24.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | P280 | P280-G282 PolarHBondContact O-N 3.05Å; P280-G282 VanDerWaalsContact O-N 3.07Å | ||
| 283 | G | 54.3 | Low | 55.1 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 139.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 284 | P | 59 | Low | 54 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 150.5 | 171.8 | 26.4 | -33.8 | 0 | 0 | 0 | 110.6 | ||
| 285 | P | 59.3 | Low | 53.2 | Low | 117 Ų | 117 | 123.2 Ų | 123.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.6 | -175.1 | 25.5 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 286 | P | 64.1 | Low | 53.1 | Low | 116 Ų | 116 | 123.5 Ų | 123.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 144.5 | 175 | 27 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 287 | P | 61.7 | Low | 53.3 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.2 | -179.7 | 27.3 | -34.8 | 0 | 0 | 0 | 111.6 | ||
| 288 | P | 59.9 | Low | 53.3 | Low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.5 | -179.3 | 27.4 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 289 | P | 64.2 | Low | 53.4 | Low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 143.3 | 178.5 | 27.8 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 290 | P | 51.8 | Low | 53.4 | Low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 139.9 | 177.4 | -22.1 | 33.7 | 0 | 0 | 0 | 113.5 | ||
| 291 | Q | 43.7 | Very low | 52.9 | Low | 185 Ų | 185 | 124.2 Ų | 124.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -91.4 | 103.5 | -178.9 | -66.1 | -175.9 | -3.6 | 0 | 0 | 112.9 | ||||
| 292 | H | 44.1 | Very low | 52.4 | Low | 188 Ų | 188 | 117.4 Ų | 117.4 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -150.5 | 134.4 | 157 | -54.1 | -78.2 | 0 | 0 | 0 | 107.6 | ||||
| 293 | G | 37.1 | Very low | 51.6 | Low | 69 Ų | 69 | 125.1 Ų | 125.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | cis | 168.7 | 128.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 294 | S | 39.2 | Very low | 50.9 | Low | 130 Ų | 130 | 128.1 Ų | 128.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 66.6 | 105 | 159.4 | -49 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 295 | A | 41.3 | Very low | 50.1 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 171.8 | 151.2 | 128.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 296 | P | 52.2 | Low | 48.9 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -112.8 | 168.5 | -148.4 | 39.3 | -30.4 | 0 | 0 | 0 | 117 | ||||
| 297 | P | 57.2 | Low | 47.4 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -99.8 | 161.3 | -178.1 | 38.9 | -35.2 | 0 | 0 | 0 | 114.7 | ||||
| 298 | P | 53.7 | Low | 46.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -109.7 | 166.4 | 159 | 3.6 | 18.7 | 0 | 0 | 0 | 114.3 | ||||
| 299 | P | 56.1 | Low | 46 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -109.9 | 176.3 | -152.6 | 42.1 | -35.1 | 0 | 0 | 0 | 115.9 | ||||
| 300 | P | 55.6 | Low | 45.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -86.4 | 178.8 | -175.9 | 37.5 | -37.6 | 0 | 0 | 0 | 113.2 | ||||
| 301 | P | 45.7 | Very low | 45.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | -146.9 | 150.8 | 111.3 | 36.6 | -21.7 | 0 | 0 | 0 | 116.1 | |||||
| 302 | S | 45 | Very low | 46.1 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -101.6 | 128.6 | 162.3 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 303 | R | 38.3 | Very low | 47.1 | Very low | 239 Ų | 239 | 123.7 Ų | 123.7 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | 170.5 | 108 | 136.2 | -96.1 | 171.9 | -178.1 | -154.4 | 0.7 | 114.4 | ||||
| 304 | V | 40.4 | Very low | 47.4 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | 52.4 | 108.9 | 111.7 | 179.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 305 | V | 41.3 | Very low | 47.2 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | trans | 75.9 | 123.2 | 141.6 | 173.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 306 | R | 34.6 | Very low | 47.4 | Very low | 239 Ų | 239 | 134 Ų | 134 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -174.4 | 145.7 | 73.4 | -150.8 | 170.9 | -61.6 | -155.2 | 1.6 | 114.2 | |||||
| 307 | G | 32 | Very low | 47.3 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 108.9 | 100.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 308 | A | 36.1 | Very low | 47 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 38.9 | 166.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 309 | P | 55.8 | Low | 46.8 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -122.9 | -131.5 | -42.1 | 39.6 | -21.9 | 0 | 0 | 0 | 109.3 | ||||
| 310 | P | 52.3 | Low | 46.6 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -106.1 | -147 | -56.9 | 43.6 | -29 | 0 | 0 | 0 | 110 | |||||
| 311 | P | 51 | Low | 46.5 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -117.2 | -179.5 | -27.8 | 41.9 | -27.8 | 0 | 0 | 0 | 113.8 | ||||
| 312 | P | 59 | Low | 47.1 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -114.5 | -168.5 | -168.4 | 48.9 | -37.5 | 0 | 0 | 0 | 112.6 | ||||
| 313 | P | 65.4 | Low | 47.9 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -122.2 | -153.4 | -140.3 | 37.9 | -15.4 | 0 | 0 | 0 | 113.4 | ||||
| 314 | H | 42.6 | Very low | 48.9 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 157.6 | 141.2 | 151.1 | -78.3 | -7.3 | 0 | 0 | 0 | 109.5 | ||||
| 315 | S | 36 | Very low | 50.1 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | cis | -161.3 | 130.2 | 6.6 | -95.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 316 | R | 45.8 | Very low | 51.2 | Low | 240 Ų | 240 | 126.6 Ų | 126.6 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | 65.6 | 176.7 | 129.5 | -109.3 | -178.3 | -160.4 | -100.8 | 0.7 | 120.2 | |||||
| 317 | P | 49.3 | Very low | 52.1 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | -122.8 | -153.3 | -125.4 | 47.9 | -29.8 | 0 | 0 | 0 | 112.1 | |||||
| 318 | P | 51.4 | Low | 53.1 | Low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -132.2 | -171 | -8 | 42.1 | -23.1 | 0 | 0 | 0 | 115.7 | ||||
| 319 | V | 50.3 | Low | 53.4 | Low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 136.7 | 174.5 | 175.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 320 | S | 51.3 | Low | 52.8 | Low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 161.2 | 106 | 132.6 | -73.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 321 | A | 53.9 | Low | 52.1 | Low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -167.8 | 147.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 322 | P | 58.4 | Low | 52.1 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 162.1 | 174.8 | 32.4 | -35.8 | 0 | 0 | 0 | 112.7 | ||
| 323 | P | 60.1 | Low | 51.2 | Low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 148.9 | 176.9 | 27.9 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 324 | P | 60.7 | Low | 50.8 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 158.9 | -170.7 | 32.8 | -37.1 | 0 | 0 | 0 | 114.3 | ||
| 325 | P | 65.1 | Low | 51.7 | Low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 156.9 | 172.6 | 30.8 | -35.8 | 0 | 0 | 0 | 112.7 | ||
| 326 | P | 65.3 | Low | 52.9 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 151.8 | 178.6 | 27.9 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 327 | P | 53.1 | Low | 53.7 | Low | 127 Ų | 127 | 123.5 Ų | 123.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 129.1 | -168.6 | 29.9 | -35.4 | 0 | 0 | 0 | 113.6 | ||
| 328 | S | 53.2 | Low | 54.5 | Low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 136.4 | 163.6 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 329 | R | 42 | Very low | 55 | Low | 242 Ų | 242 | 123.8 Ų | 123.8 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | trans | -118 | 154.4 | 163 | -99.4 | -157.4 | 161.6 | -153.3 | -3 | 110.6 | ||||
| 330 | P | 42.4 | Very low | 55 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -113.5 | 163 | -144.2 | 14.5 | 7.8 | 0 | 0 | 0 | 114.1 | ||||
| 331 | G | 38 | Very low | 55.3 | Low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 132.8 | 107.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 332 | M | 50.5 | Low | 54.8 | Low | 188 Ų | 188 | 129.8 Ų | 129.8 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -58.3 | 139.8 | 167.6 | -98.2 | 70.4 | 82.8 | 0 | 0 | 112.2 | ||||
| 333 | S | 41.1 | Very low | 54.3 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -165.5 | 160.4 | 133.8 | 32.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 334 | A | 57.5 | Low | 54.1 | Low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 162.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 335 | P | 60.3 | Low | 53.4 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 147.9 | 167.2 | 26.6 | -36.2 | 0 | 0 | 0 | 111.5 | ||
| 336 | P | 61.2 | Low | 53.4 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148 | 177.9 | 28.6 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 337 | P | 62.6 | Low | 53.6 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 153.8 | 179.7 | 29.7 | -35.6 | 0 | 0 | 0 | 112.1 | ||
| 338 | P | 65.8 | Low | 54.2 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 147.4 | 173.3 | 28.7 | -34.8 | 0 | 0 | 0 | 111.3 | ||
| 339 | P | 63.1 | Low | 54.5 | Low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.1 | 174.3 | 28.3 | -34.4 | 0 | 0 | 0 | 111 | S341 | P339-S341 PolarHBondContact O-N 3.46Š|
| 340 | P | 50.3 | Low | 55.2 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 129.9 | -172.5 | 28.2 | -34.8 | 0 | 0 | 0 | 112.4 | R342 | P340-R342 PolarHBondContact O-N 3.45Š|
| 341 | S | 56 | Low | 55.8 | Low | 131 Ų | 131 | 120.3 Ų | 120.3 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 105.3 | 165.2 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | P339 | P339-S341 PolarHBondContact O-N 3.46Š| ||
| 342 | R | 45.1 | Very low | 56 | Low | 229 Ų | 229 | 121 Ų | 121 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -130.7 | 106.6 | 172.4 | -86.1 | -170.5 | 167.1 | -178.7 | -3.1 | 111.1 | P340 | P340-R342 PolarHBondContact O-N 3.45Š| ||
| 343 | G | 47.7 | Very low | 56.1 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 70.3 | 137.4 | 150 | 0 | 0 | 0 | 0 | 0 | 116.9 | L345 | G343-L345 PolarHBondContact O-N 3.29Š| ||
| 344 | A | 54.6 | Low | 56 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 120.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 345 | L | 47.3 | Very low | 55.5 | Low | 157 Ų | 157 | 121 Ų | 121 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.2 | 160.4 | -66.2 | 173.7 | 0 | 0 | 0 | 107.9 | G343 | G343-L345 PolarHBondContact O-N 3.29Š|
| 346 | P | 63.9 | Low | 54.9 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 149.7 | 172.8 | 27.9 | -34.2 | 0 | 0 | 0 | 109.9 | ||
| 347 | P | 69.5 | Low | 54.1 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 149.7 | 175.7 | 26.3 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 348 | P | 65.2 | Low | 53.5 | Low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 142.8 | 173.6 | 26.4 | -34.4 | 0 | 0 | 0 | 109.5 | A350 | P348-A350 PolarHBondContact O-N 3.12Š|
| 349 | P | 59.7 | Low | 53.1 | Low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134 | 174.8 | 25.2 | -33.3 | 0 | 0 | 0 | 109.1 | ||
| 350 | A | 58 | Low | 53.3 | Low | 85 Ų | 85 | 121.6 Ų | 121.6 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53 | 144.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | P348 A352 | P348-A350 PolarHBondContact O-N 3.12Å; A350-A352 PolarHBondContact O-N 3.43Å |
| 351 | P | 53.7 | Low | 54 | Low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -59.2 | 106 | 177.2 | 24.2 | -32.8 | 0 | 0 | 0 | 109 | H353 | P351-H353 PolarHBondContact O-N 2.89Š| ||
| 352 | A | 43.5 | Very low | 54.7 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -56.1 | 135.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | A350 A354 | A350-A352 PolarHBondContact O-N 3.43Å; A352-A354 VanDerWaalsContact C-N 3.34Å; A352-A354 PolarHBondContact O-N 3.12Å | ||
| 353 | H | 51.8 | Low | 56 | Low | 190 Ų | 190 | 115.4 Ų | 115.4 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | trans | -57.3 | 92 | -174.8 | -65.7 | -96.8 | 0 | 0 | 0 | 111.4 | P351 S355 | P351-H353 PolarHBondContact O-N 2.89Å; H353-S355 PolarHBondContact O-N 3.15Å | ||
| 354 | A | 38.9 | Very low | 56.8 | Low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -73.9 | 111.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | A352 L356 | A352-A354 VanDerWaalsContact C-N 3.34Å; A352-A354 PolarHBondContact O-N 3.12Å; A354-L356 PolarHBondContact O-N 2.9Å; A354-L356 VanDerWaalsContact O-N 3.13Å | ||
| 355 | S | 46.5 | Very low | 57.3 | Low | 116 Ų | 116 | 120.5 Ų | 120.5 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -46.5 | 118.2 | -176.2 | -51.9 | 0 | 0 | 0 | 0 | 111.7 | H353 | H353-S355 PolarHBondContact O-N 3.15Š| ||
| 356 | L | 47.7 | Very low | 58.2 | Low | 146 Ų | 146 | 118.3 Ų | 118.3 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -54.1 | 141.3 | 158.8 | -63.6 | 171.7 | 0 | 0 | 0 | 107.7 | A354 V358 | A354-L356 PolarHBondContact O-N 2.9Å; A354-L356 VanDerWaalsContact O-N 3.13Å; L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.45Å | ||
| 357 | P | 45.8 | Very low | 57.7 | Low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -60.3 | 105.8 | 155.3 | 27.4 | -30.5 | 0 | 0 | 0 | 106.1 | A359 | P357-A359 PolarHBondContact O-N 3.13Š| ||
| 358 | V | 49.2 | Very low | 56.9 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -56.6 | 114.7 | 174 | 170 | 0 | 0 | 0 | 0 | 106.6 | L356 | L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.45Å | ||
| 359 | A | 58 | Low | 55.7 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P357 | P357-A359 PolarHBondContact O-N 3.13Š|
| 360 | P | 66 | Low | 55.5 | Low | 114 Ų | 114 | 116.2 Ų | 116.2 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.9 | 178.7 | 24.3 | -33.8 | 0 | 0 | 0 | 109.2 | ||
| 361 | P | 66.3 | Low | 54.7 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 146.5 | 178.7 | 25.1 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 362 | P | 70.6 | Confident | 54.3 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 145.6 | 173.4 | 25.8 | -34.1 | 0 | 0 | 0 | 109.4 | ||
| 363 | P | 72.8 | Confident | 54.6 | Low | 114 Ų | 114 | 118 Ų | 118 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 144.9 | 175.9 | 25.3 | -34.2 | 0 | 0 | 0 | 109.6 | L365 | P363-L365 PolarHBondContact O-N 3.3Š|
| 364 | P | 64.5 | Low | 54.7 | Low | 123 Ų | 123 | 113.3 Ų | 113.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.1 | 178.5 | 24.1 | -33.2 | 0 | 0 | 0 | 109.6 | ||
| 365 | L | 64.2 | Low | 55.8 | Low | 162 Ų | 162 | 114.2 Ų | 114.2 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.6 | 168.8 | -77.1 | 151.7 | 0 | 0 | 0 | 108.6 | P363 | P363-L365 PolarHBondContact O-N 3.3Š|
| 366 | P | 66.9 | Low | 56.7 | Low | 110 Ų | 110 | 113.9 Ų | 113.9 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 141.5 | 174.9 | 25.2 | -33.4 | 0 | 0 | 0 | 109.1 | A368 | P366-A368 PolarHBondContact O-N 3.35Š|
| 367 | P | 53.5 | Low | 57.7 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.4 | -179.7 | 24.3 | -33.5 | 0 | 0 | 0 | 109.6 | A369 | P367-A369 PolarHBondContact O-N 2.92Š|
| 368 | A | 51.7 | Low | 59 | Low | 102 Ų | 102 | 112 Ų | 112 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -58.9 | 105.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109 | P366 A370 | P366-A368 PolarHBondContact O-N 3.35Å; A368-A370 PolarHBondContact O-N 3.17Å | ||
| 369 | A | 41.3 | Very low | 60.1 | Low | 84 Ų | 84 | 111.2 Ų | 111.2 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -65.4 | 104 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | P367 S371 | P367-A369 PolarHBondContact O-N 2.92Å; A369-S371 PolarHBondContact O-N 3.04Å | ||
| 370 | A | 53.9 | Low | 60.9 | Low | 109 Ų | 109 | 113 Ų | 113 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -67 | 84.4 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | A368 | A368-A370 PolarHBondContact O-N 3.17Š| ||
| 371 | S | 42.7 | Very low | 61.3 | Low | 94 Ų | 94 | 113 Ų | 113 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -116.1 | 99.8 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | A369 | A369-S371 PolarHBondContact O-N 3.04Š| ||
| 372 | N | 44.3 | Very low | 61.7 | Low | 159 Ų | 159 | 113.3 Ų | 113.3 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 28.8 | 107.3 | 154.2 | -59.4 | -17.9 | 0 | 0 | 0 | 116.7 | A374 | N372-A374 PolarHBondContact O-N 2.91Å; N372-A374 VanDerWaalsContact O-N 3.09Å | ||
| 373 | G | 49.1 | Very low | 61.8 | Low | 83 Ų | 83 | 113.2 Ų | 113.2 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -57.7 | 115.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 374 | A | 55.5 | Low | 61.9 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 133.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | N372 | N372-A374 PolarHBondContact O-N 2.91Å; N372-A374 VanDerWaalsContact O-N 3.09Å |
| 375 | P | 61.9 | Low | 62.1 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63 | 155.6 | 171.9 | 28.5 | -34.2 | 0 | 0 | 0 | 110 | ||
| 376 | P | 64.4 | Low | 62.3 | Low | 110 Ų | 110 | 109.9 Ų | 109.9 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 147.8 | 170.9 | 26.4 | -34.7 | 0 | 0 | 0 | 110 | ||
| 377 | P | 68.3 | Low | 62 | Low | 117 Ų | 117 | 110.9 Ų | 110.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.9 | 175.1 | 25.5 | -33.9 | 0 | 0 | 0 | 109.5 | ||
| 378 | P | 73.1 | Confident | 62.5 | Low | 114 Ų | 114 | 107.7 Ų | 107.7 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60 | 149.3 | 178.4 | 26.3 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 379 | P | 73.9 | Confident | 63.2 | Low | 114 Ų | 114 | 108.8 Ų | 108.8 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 148.6 | 173.6 | 26.5 | -34.6 | 0 | 0 | 0 | 110.1 | ||
| 380 | P | 74.2 | Confident | 64 | Low | 114 Ų | 114 | 110.3 Ų | 110.3 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 144.9 | 173.7 | 26 | -34.1 | 0 | 0 | 0 | 109.8 | ||
| 381 | P | 75.2 | Confident | 64.2 | Low | 115 Ų | 115 | 110.5 Ų | 110.5 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 145.8 | 178 | 26 | -34.3 | 0 | 0 | 0 | 110.1 | ||
| 382 | P | 73.1 | Confident | 64.9 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58 | 144.9 | 174.3 | 26.2 | -34.1 | 0 | 0 | 0 | 109.7 | ||
| 383 | P | 73.4 | Confident | 65.2 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 145.5 | 173.9 | 26.1 | -34 | 0 | 0 | 0 | 109.6 | ||
| 384 | P | 74.1 | Confident | 64.8 | Low | 115 Ų | 115 | 111.4 Ų | 111.4 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 143.3 | 177.3 | 25.6 | -34.1 | 0 | 0 | 0 | 109.7 | A386 | P384-A386 PolarHBondContact O-N 3.14Š|
| 385 | P | 69.4 | Low | 64.1 | Low | 124 Ų | 124 | 114.8 Ų | 114.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 134.7 | 175.9 | 24.9 | -33.4 | 0 | 0 | 0 | 109.3 | ||
| 386 | A | 67.7 | Low | 62.9 | Low | 90 Ų | 90 | 118.4 Ų | 118.4 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -55 | 141.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P384 G388 | P384-A386 PolarHBondContact O-N 3.14Å; A386-G388 PolarHBondContact O-N 3.42Å |
| 387 | P | 61.7 | Low | 61.8 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125.7 | 175.4 | -25.5 | 34.3 | 0 | 0 | 0 | 110.2 | ||
| 388 | G | 63.1 | Low | 60.6 | Low | 58 Ų | 58 | 120.2 Ų | 120.2 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 151.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A386 | A386-G388 PolarHBondContact O-N 3.42Š|
| 389 | P | 66.6 | Low | 59.1 | Low | 124 Ų | 124 | 118.5 Ų | 118.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 138.1 | 176.4 | 25.1 | -33.8 | 0 | 0 | 0 | 109.9 | ||
| 390 | P | 59.1 | Low | 57.5 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 146.1 | -177.3 | 26 | -34.2 | 0 | 0 | 0 | 111 | ||
| 391 | P | 58.5 | Low | 56.6 | Low | 113 Ų | 113 | 118.9 Ų | 118.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 149.4 | -179.5 | 28.3 | -35.1 | 0 | 0 | 0 | 111.1 | ||
| 392 | P | 56.4 | Low | 55.5 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 127.6 | 174.9 | 27.5 | -33.6 | 0 | 0 | 0 | 109.8 | S394 | P392-S394 PolarHBondContact O-N 3.49Š|
| 393 | P | 50.6 | Low | 54.5 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.2 | 179.3 | 27.5 | -32.7 | 0 | 0 | 0 | 110.8 | M395 | P393-M395 PolarHBondContact O-N 2.97Š|
| 394 | S | 40.5 | Very low | 53.5 | Low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 112.1 | 164.9 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | P392 | P392-S394 PolarHBondContact O-N 3.49Š| ||
| 395 | M | 40.3 | Very low | 52.6 | Low | 162 Ų | 162 | 115 Ų | 115 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | trans | 34.7 | 140.9 | 144 | 72 | -158.3 | 179.3 | 0 | 0 | 122.4 | P393 | P393-M395 PolarHBondContact O-N 2.97Š| ||
| 396 | E | 38.3 | Very low | 52.1 | Low | 188 Ų | 188 | 114.3 Ų | 114.3 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | 75.7 | 115.4 | 164.9 | -47.7 | -165.4 | 132.9 | 0 | 0 | 116 | ||||
| 397 | A | 40.4 | Very low | 51.5 | Low | 96 Ų | 96 | 114.6 Ų | 114.6 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | cis | -157.7 | 152.1 | 40.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 398 | N | 44 | Very low | 51.4 | Low | 169 Ų | 169 | 111.3 Ų | 111.3 | 90% | 0.904 | 71% | 0.713 | S | S | * | * | trans | 71.7 | 117.4 | 149.5 | -153.4 | 32.1 | 0 | 0 | 0 | 121 | ||||
| 399 | G | 40.9 | Very low | 51.1 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | 108 | 127.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 400 | G | 39.4 | Very low | 50.7 | Low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | 123.2 | 86.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 401 | D | 55.9 | Low | 50.5 | Low | 159 Ų | 159 | 119.1 Ų | 119.1 | 85% | 0.85 | 71% | 0.707 | S | S | * | * | trans | -61 | 150.2 | 175.1 | -57.3 | -92.2 | 0 | 0 | 0 | 113.8 | ||||
| 402 | G | 52.6 | Low | 50.6 | Low | 52 Ų | 52 | 121.2 Ų | 121.2 | 54% | 0.536 | 71% | 0.707 | S | S | . | * | trans | 165.9 | -30.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 403 | K | 52.4 | Low | 50.4 | Low | 183 Ų | 183 | 117.8 Ų | 117.8 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -94.4 | -17.9 | -176.4 | -71.1 | -177.5 | 176.5 | 177.7 | 0 | 115.1 | ||
| 404 | S | 51.2 | Low | 50.3 | Low | 78 Ų | 78 | 117 Ų | 117 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -71.8 | -42.3 | 174.3 | 44 | 0 | 0 | 0 | 0 | 112.5 | L406 L407 S408 | S404-L406 PolarHBondContact O-N 3.01Å; S404-L407 PolarHBondContact O-N 3.14Å; S404-S408 PolarHBondContact O-N 2.92Å; S404-S408 PolarHBondContact O-OG 3.45Å |
| 405 | A | 56.1 | Low | 50.9 | Low | 63 Ų | 63 | 120.4 Ų | 120.4 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -59.5 | -49.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L407 S408 Q409 | A405-L407 PolarHBondContact O-N 2.85Å; A405-S408 PolarHBondContact O-N 2.91Å; A405-Q409 WeakPolarHBondContact O-CB 3.26Å; A405-Q409 PolarHBondContact O-N 3.11Å |
| 406 | L | 58.1 | Low | 50.9 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 58% | 0.576 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -66.6 | -35.8 | -175.9 | -162.4 | 70.7 | 0 | 0 | 0 | 112.7 | S404 Q409 I410 | S404-L406 PolarHBondContact O-N 3.01Å; L406-Q409 PolarHBondContact O-N 3.17Å; L406-I410 HydrophobicContact CG-CD1 4.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.39Å; L406-I410 VanDerWaalsContact O-N 3.12Å |
| 407 | L | 56.2 | Low | 51 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 51% | 0.508 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -80.8 | -15 | -179.1 | -76.7 | 172.7 | 0 | 0 | 0 | 114.4 | S404 A405 R411 | S404-L407 PolarHBondContact O-N 3.14Å; A405-L407 PolarHBondContact O-N 2.85Å; L407-R411 PolarHBondContact O-NE 3.26Å; L407-R411 PolarHBondContact O-NH2 3.47Å; L407-R411 VanDerWaalsContact O-NH2 3.08Å |
| 408 | S | 58.8 | Low | 51.2 | Low | 61 Ų | 61 | 127.1 Ų | 127.1 | 43% | 0.427 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -83.6 | -43.5 | 163.9 | -66 | 0 | 0 | 0 | 0 | 111 | S404 A405 I410 R411 E412 | S404-S408 PolarHBondContact O-N 2.92Å; S404-S408 PolarHBondContact O-OG 3.45Å; A405-S408 PolarHBondContact O-N 2.91Å; S408-I410 VanDerWaalsContact C-N 3.3Å; S408-I410 PolarHBondContact O-N 3.32Å; S408-R411 CarbonylContact O-C 3.5Å; S408-R411 WeakPolarHBondContact O-CA 3.41Å; S408-R411 WeakPolarHBondContact O-CB 3.24Å; S408-R411 PolarHBondContact O-N 3.09Å; S408-E412 PolarHBondContact O-N 2.86Å |
| 409 | Q | 57.8 | Low | 50.7 | Low | 143 Ų | 143 | 125.8 Ų | 125.8 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -64 | -30.6 | -178 | -168.7 | 168.1 | -4.1 | 0 | 0 | 113.8 | A405 L406 R411 | A405-Q409 WeakPolarHBondContact O-CB 3.26Å; A405-Q409 PolarHBondContact O-N 3.11Å; L406-Q409 PolarHBondContact O-N 3.17Å; Q409-R411 VanDerWaalsContact C-N 3.31Å |
| 410 | I | 57.2 | Low | 50.4 | Low | 127 Ų | 127 | 131.1 Ų | 131.1 | 65% | 0.651 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -22.7 | 171.5 | -66.7 | 165.6 | 0 | 0 | 0 | 112 | L406 S408 | L406-I410 HydrophobicContact CG-CD1 4.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.39Å; L406-I410 VanDerWaalsContact O-N 3.12Å; S408-I410 VanDerWaalsContact C-N 3.3Å; S408-I410 PolarHBondContact O-N 3.32Å |
| 411 | R | 55.5 | Low | 50.3 | Low | 193 Ų | 193 | 136.7 Ų | 136.7 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -27.1 | -179 | -119.2 | 171.1 | -72.2 | -114.1 | -3.1 | 113.6 | L407 S408 Q409 | L407-R411 PolarHBondContact O-NE 3.26Å; L407-R411 PolarHBondContact O-NH2 3.47Å; L407-R411 VanDerWaalsContact O-NH2 3.08Å; S408-R411 CarbonylContact O-C 3.5Å; S408-R411 WeakPolarHBondContact O-CA 3.41Å; S408-R411 WeakPolarHBondContact O-CB 3.24Å; S408-R411 PolarHBondContact O-N 3.09Å; Q409-R411 VanDerWaalsContact C-N 3.31Å |
| 412 | E | 60.4 | Low | 49.1 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -85.8 | -7 | -173.5 | -74.7 | 179.7 | 166 | 0 | 0 | 115.1 | S408 | S408-E412 PolarHBondContact O-N 2.86Š|
| 413 | G | 51.5 | Low | 48.4 | Very low | 46 Ų | 46 | 143.1 Ų | 143.1 | 47% | 0.474 | 73% | 0.729 | S | S | . | * | trans | 56.6 | 90 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q415 | G413-Q415 PolarHBondContact O-N 3.01Š| ||
| 414 | A | 48.8 | Very low | 47.6 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 93% | 0.926 | 73% | 0.734 | S | S | * | * | trans | -53.5 | 105.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 415 | Q | 53.6 | Low | 47.1 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 126.6 | 169.3 | -60.1 | -175.8 | 19.8 | 0 | 0 | 110.4 | G413 | G413-Q415 PolarHBondContact O-N 3.01Š| ||
| 416 | L | 39 | Very low | 46.3 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | trans | -135.9 | 161.1 | 161.1 | -76.3 | -179.7 | 0 | 0 | 0 | 111.9 | ||||
| 417 | K | 41.8 | Very low | 45.5 | Very low | 204 Ų | 204 | 150.8 Ų | 150.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | -84.2 | 153.7 | -143.7 | -74.4 | 174.5 | 173.5 | 174.1 | 0 | 116.4 | ||||
| 418 | K | 44.4 | Very low | 45.1 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -50.4 | 141.8 | 158.5 | -88.4 | 168.8 | 169.6 | 169.2 | 0 | 112.8 | ||||
| 419 | V | 33.2 | Very low | 44.5 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -113.1 | 151.1 | 147.8 | 177.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 420 | E | 33.5 | Very low | 44.2 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -78.5 | 167.7 | -164 | -68.7 | 179.3 | 118.2 | 0 | 0 | 115.5 | ||||
| 421 | Q | 38.3 | Very low | 44.2 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | -77 | 150.5 | -166.5 | -60.8 | 168 | -28 | 0 | 0 | 114.1 | ||||
| 422 | K | 31.2 | Very low | 44.3 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | -150.5 | 110.4 | 126.6 | -156.6 | 162.5 | -176.6 | 176.2 | 0 | 114.7 | |||||
| 423 | E | 36.5 | Very low | 44.4 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 70.4 | 159.9 | 152.5 | -69.3 | 169.8 | -138.3 | 0 | 0 | 121.8 | ||||
| 424 | R | 36 | Very low | 45.1 | Very low | 241 Ų | 241 | 144 Ų | 144 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -92 | 173.3 | -164 | -75.6 | -176.5 | -177.8 | -157.9 | 2.1 | 111.5 | ||||
| 425 | P | 41.4 | Very low | 46.1 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | cis | -134.4 | -162 | 18.4 | 41.9 | -21.7 | 0 | 0 | 0 | 116.3 | ||||
| 426 | V | 39.9 | Very low | 46.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -94.7 | 156.6 | -163.5 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 427 | S | 40.2 | Very low | 47.7 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | 102.7 | 134.5 | 149.5 | -153.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 428 | T | 47.8 | Very low | 48.7 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | trans | 43.1 | 121.3 | 147.2 | 46.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 429 | G | 46.5 | Very low | 49.8 | Very low | 38 Ų | 38 | 129.4 Ų | 129.4 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | trans | 178.2 | -23.3 | 165 | 0 | 0 | 0 | 0 | 0 | 117.9 | R431 A433 | G429-R431 PolarHBondContact O-N 3.38Å; G429-A433 WeakPolarHBondContact O-CB 3.38Å; G429-A433 PolarHBondContact O-N 3.02Å | ||
| 430 | G | 51.3 | Low | 51.4 | Low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.7 | -38.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 431 | R | 56.8 | Low | 52.1 | Low | 194 Ų | 194 | 123.5 Ų | 123.5 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -86.6 | -39.2 | -179.9 | -171.8 | 175.3 | 176.9 | 89.9 | -1 | 112.2 | G429 L434 L435 | G429-R431 PolarHBondContact O-N 3.38Å; R431-L434 PolarHBondContact O-N 3.21Å; R431-L435 HydrophobicContact CG-CD1 4.03Å; R431-L435 WeakPolarHBondContact O-CG 3.33Å; R431-L435 PolarHBondContact O-N 3.04Å |
| 432 | D | 57.8 | Low | 53.2 | Low | 91 Ų | 91 | 120.9 Ų | 120.9 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.3 | -37.3 | -177.1 | -55.2 | -58.3 | 0 | 0 | 0 | 111.8 | L434 L435 D436 | D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.48Å; D432-L435 PolarHBondContact O-N 3.17Å; D432-D436 WeakPolarHBondContact O-CB 3.3Å; D432-D436 PolarHBondContact O-N 3.4Å |
| 433 | A | 62.3 | Low | 54.1 | Low | 61 Ų | 61 | 121.4 Ų | 121.4 | 50% | 0.504 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61.4 | -37.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G429 Q437 | G429-A433 WeakPolarHBondContact O-CB 3.38Å; G429-A433 PolarHBondContact O-N 3.02Å; A433-Q437 VanDerWaalsContact O-CB 3.28Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 PolarHBondContact O-N 3.06Å |
| 434 | L | 67.5 | Low | 54.4 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 53% | 0.534 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.5 | -41 | 175.7 | -178.3 | 62 | 0 | 0 | 0 | 111.7 | R431 D432 Q437 I438 | R431-L434 PolarHBondContact O-N 3.21Å; D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.48Å; L434-Q437 PolarHBondContact O-N 2.9Å; L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.24Å |
| 435 | L | 69.1 | Low | 54.8 | Low | 58 Ų | 58 | 118.6 Ų | 118.6 | 30% | 0.304 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.6 | -37.2 | 176.8 | -70.8 | 171.2 | 0 | 0 | 0 | 112 | R431 D432 I438 R439 | R431-L435 HydrophobicContact CG-CD1 4.03Å; R431-L435 WeakPolarHBondContact O-CG 3.33Å; R431-L435 PolarHBondContact O-N 3.04Å; D432-L435 PolarHBondContact O-N 3.17Å; L435-I438 PolarHBondContact O-N 2.81Å; L435-R439 VanDerWaalsContact O-CG 3.27Å; L435-R439 WeakPolarHBondContact O-CG 3.38Å; L435-R439 PolarHBondContact O-N 3.04Å |
| 436 | D | 63.7 | Low | 55 | Low | 81 Ų | 81 | 117.9 Ų | 117.9 | 43% | 0.433 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.6 | -33.1 | 174 | -77.5 | -13 | 0 | 0 | 0 | 112.2 | D432 I438 R439 Q440 | D432-D436 WeakPolarHBondContact O-CB 3.3Å; D432-D436 PolarHBondContact O-N 3.4Å; D436-I438 VanDerWaalsContact C-N 3.32Å; D436-R439 PolarHBondContact O-N 2.76Å; D436-R439 IonicContact OD1-NE 3.83Å; D436-Q440 WeakPolarHBondContact O-CB 3.23Å; D436-Q440 WeakPolarHBondContact O-CG 3.46Å; D436-Q440 PolarHBondContact O-N 3.42Å; D436-Q440 PolarHBondContact O-NE2 3.4Å |
| 437 | Q | 63.6 | Low | 54.6 | Low | 125 Ų | 125 | 122.5 Ų | 122.5 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.6 | -33.2 | 172.2 | -173.8 | 172.2 | -19.9 | 0 | 0 | 112.3 | A433 L434 | A433-Q437 VanDerWaalsContact O-CB 3.28Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 PolarHBondContact O-N 3.06Å; L434-Q437 PolarHBondContact O-N 2.9Å |
| 438 | I | 61.4 | Low | 54.3 | Low | 120 Ų | 120 | 125.8 Ų | 125.8 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.7 | -40.2 | 171.5 | -67.1 | 162.5 | 0 | 0 | 0 | 110.8 | L434 L435 D436 Q440 | L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.24Å; L435-I438 PolarHBondContact O-N 2.81Å; D436-I438 VanDerWaalsContact C-N 3.32Å; I438-Q440 PolarHBondContact O-N 3.29Å |
| 439 | R | 68 | Low | 54 | Low | 188 Ų | 188 | 128.1 Ų | 128.1 | 71% | 0.709 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.9 | -28.5 | 176.6 | -69.4 | 172.5 | -153.5 | -71.4 | 0.9 | 114 | L435 D436 G441 | L435-R439 VanDerWaalsContact O-CG 3.27Å; L435-R439 WeakPolarHBondContact O-CG 3.38Å; L435-R439 PolarHBondContact O-N 3.04Å; D436-R439 PolarHBondContact O-N 2.76Å; D436-R439 IonicContact OD1-NE 3.83Å; R439-G441 VanDerWaalsContact C-N 3.33Å |
| 440 | Q | 66.1 | Low | 53.2 | Low | 157 Ų | 157 | 133.2 Ų | 133.2 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.6 | -16.9 | -178.6 | -78.3 | 170.3 | 52 | 0 | 0 | 113.6 | D436 I438 | D436-Q440 WeakPolarHBondContact O-CB 3.23Å; D436-Q440 WeakPolarHBondContact O-CG 3.46Å; D436-Q440 PolarHBondContact O-N 3.42Å; D436-Q440 PolarHBondContact O-NE2 3.4Å; I438-Q440 PolarHBondContact O-N 3.29Å |
| 441 | G | 48.3 | Very low | 52.3 | Low | 49 Ų | 49 | 134.5 Ų | 134.5 | 51% | 0.505 | 69% | 0.687 | S | S | . | * | trans | 75.8 | 132.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R439 Q443 | R439-G441 VanDerWaalsContact C-N 3.33Å; G441-Q443 PolarHBondContact O-N 3.39Å | ||
| 442 | I | 61.3 | Low | 51.7 | Low | 138 Ų | 138 | 133.1 Ų | 133.1 | 71% | 0.708 | 69% | 0.689 | S | S | * | * | trans | -80.7 | 104.6 | 176.1 | -60.9 | 176.6 | 0 | 0 | 0 | 108.3 | L444 | I442-L444 HydrophobicContact CG2-CD2 3.93Å; I442-L444 HydrophobicContact CG2-CG 4.11Å; I442-L444 PolarHBondContact O-N 2.93Å | ||
| 443 | Q | 51.6 | Low | 50.5 | Low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | trans | -78.1 | 86.1 | 178.2 | -156.1 | 165.1 | 59.4 | 0 | 0 | 110.1 | G441 | G441-Q443 PolarHBondContact O-N 3.39Š| ||
| 444 | L | 42.2 | Very low | 49.5 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 140.6 | 174.2 | -67.8 | 177.3 | 0 | 0 | 0 | 110.5 | I442 A446 | I442-L444 HydrophobicContact CG2-CD2 3.93Å; I442-L444 HydrophobicContact CG2-CG 4.11Å; I442-L444 PolarHBondContact O-N 2.93Å; L444-A446 PolarHBondContact O-N 3.01Å |
| 445 | K | 43.4 | Very low | 47.8 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 124.2 | -179.8 | -75.4 | 167.8 | 175.8 | 167.3 | 0 | 109.6 | R447 | K445-R447 PolarHBondContact O-N 3.15Š|
| 446 | A | 46.7 | Very low | 46 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -51 | 131.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L444 | L444-A446 PolarHBondContact O-N 3.01Š|
| 447 | R | 31.4 | Very low | 44.7 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -121.6 | 133.1 | 175.8 | -161.8 | 177.5 | -165.3 | 159 | 2.2 | 106.5 | K445 D449 | K445-R447 PolarHBondContact O-N 3.15Å; R447-D449 PolarHBondContact O-N 3.41Å | ||
| 448 | D | 33 | Very low | 43.3 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | -54.3 | 119.1 | -157.6 | -56.7 | -98.9 | 0 | 0 | 0 | 115 | N450 | D448-N450 PolarHBondContact O-N 3Š| ||
| 449 | D | 41.3 | Very low | 42.3 | Very low | 171 Ų | 171 | 140 Ų | 140 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -59.5 | 106.5 | 150.3 | -93.1 | -63.1 | 0 | 0 | 0 | 109.2 | R447 | R447-D449 PolarHBondContact O-N 3.41Š| ||
| 450 | N | 31.1 | Very low | 41.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -176.9 | 99.6 | 144.8 | -174.8 | 23.6 | 0 | 0 | 0 | 111.5 | D448 | D448-N450 PolarHBondContact O-N 3Š| ||
| 451 | S | 31.5 | Very low | 40.7 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 178.8 | 126.6 | 102.6 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | Q453 | S451-Q453 PolarHBondContact O-N 2.91Š| |||
| 452 | E | 43.4 | Very low | 41.5 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -45.1 | 133.7 | 167.5 | -79.2 | 151 | 72 | 0 | 0 | 113.3 | T454 | E452-T454 HydrophobicContact CG-CG2 4.43Š| ||
| 453 | Q | 34.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -131.1 | 56.4 | 147.9 | -156.2 | 146.8 | 37.6 | 0 | 0 | 110.7 | S451 S455 | S451-Q453 PolarHBondContact O-N 2.91Å; Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 2.75Å; Q453-S455 PolarHBondContact O-OG 3.03Å | ||
| 454 | T | 40.8 | Very low | 43.8 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -51.1 | 90.4 | 162.5 | 39.4 | 0 | 0 | 0 | 0 | 110.1 | E452 A456 | E452-T454 HydrophobicContact CG-CG2 4.43Å; T454-A456 PolarHBondContact O-N 2.91Å | ||
| 455 | S | 31.6 | Very low | 45.7 | Very low | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | trans | -97.3 | 79.9 | -173.4 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | Q453 | Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 2.75Å; Q453-S455 PolarHBondContact O-OG 3.03Å | ||
| 456 | A | 30.3 | Very low | 47.7 | Very low | 73 Ų | 73 | 105.5 Ų | 105.5 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | trans | 54.5 | 95.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117 | T454 S458 | T454-A456 PolarHBondContact O-N 2.91Å; A456-S458 PolarHBondContact O-N 2.96Å; A456-S458 PolarHBondContact O-OG 3Å | ||
| 457 | D | 37.1 | Very low | 49.6 | Very low | 166 Ų | 166 | 102.5 Ų | 102.5 | 89% | 0.888 | 61% | 0.606 | S | S | * | * | trans | -51.2 | 97.8 | 140.3 | -179.7 | 15.6 | 0 | 0 | 0 | 108 | ||||
| 458 | S | 35.3 | Very low | 52.2 | Low | 82 Ų | 82 | 91.4 Ų | 91.4 | 57% | 0.573 | 57% | 0.565 | S | S | * | * | trans | -97.3 | 109.6 | 178.3 | 25.6 | 0 | 0 | 0 | 0 | 106.3 | A456 | A456-S458 PolarHBondContact O-N 2.96Å; A456-S458 PolarHBondContact O-OG 3Å | ||
| 459 | A | 40.3 | Very low | 54.7 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | trans | -36.8 | 142.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T461 | A459-T461 PolarHBondContact O-N 2.72Š| ||
| 460 | P | 45.5 | Very low | 56.8 | Low | 124 Ų | 124 | 80 Ų | 80 | 81% | 0.805 | 51% | 0.51 | S | S | * | . | trans | -51.7 | 109.3 | -175.1 | 21.4 | -34.1 | 0 | 0 | 0 | 110.1 | A462 | P460-A462 PolarHBondContact O-N 3.38Š| ||
| 461 | T | 55.1 | Low | 59.4 | Low | 59 Ų | 59 | 75.4 Ų | 75.4 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | trans | -74.2 | 75 | -177 | 47.1 | 0 | 0 | 0 | 0 | 109 | A459 G463 G466 | A459-T461 PolarHBondContact O-N 2.72Å; T461-G463 PolarHBondContact O-N 3.03Å; T461-G466 WeakPolarHBondContact O-CA 3.46Å; T461-G466 PolarHBondContact O-N 2.75Å; T461-G466 VanDerWaalsContact O-N 3.09Å; T461-G466 VanDerWaalsContact OG1-CA 3.3Å; T461-G466 WeakPolarHBondContact OG1-CA 3.13Å; T461-G466 PolarHBondContact OG1-N 3Å | ||
| 462 | A | 63.5 | Low | 61.9 | Low | 96 Ų | 96 | 71.5 Ų | 71.5 | 79% | 0.793 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 103.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P460 | P460-A462 PolarHBondContact O-N 3.38Š|
| 463 | G | 78.4 | Confident | 63.8 | Low | 29 Ų | 29 | 68.8 Ų | 68.8 | 30% | 0.299 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 153.9 | -169.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T461 V465 G466 A467 | T461-G463 PolarHBondContact O-N 3.03Å; G463-V465 VanDerWaalsContact C-N 3.28Å; G463-V465 PolarHBondContact O-N 3.48Å; G463-G466 PolarHBondContact O-N 2.92Å; G463-A467 PolarHBondContact O-N 3Å; G463-A467 VanDerWaalsContact O-N 3.17Å |
| 464 | I | 82.6 | Confident | 66.2 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.062 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.5 | -31.8 | 179.6 | -170.4 | 64.2 | 0 | 0 | 0 | 112.6 | L233 F256 N260 V266 E269 V270 L468 | L233-I464 HydrophobicContact CD1-CG2 3.86Å; F256-I464 HydrophobicContact CE1-CD1 3.52Å; F256-I464 HydrophobicContact CE1-CG1 4.23Å; F256-I464 HydrophobicContact CZ-CD1 3.9Å; N260-I464 HydrophobicContact CB-CD1 3.82Å; N260-I464 WeakPolarHBondContact ND2-CD1 3.18Å; V266-I464 HydrophobicContact CB-CG1 4.47Å; V266-I464 HydrophobicContact CG1-CG1 4Å; V266-I464 HydrophobicContact CG2-CD1 4.15Å; V266-I464 HydrophobicContact CG2-CG1 4.07Å; E269-I464 HydrophobicContact CB-CG2 4.25Å; E269-I464 HydrophobicContact CG-CB 4.28Å; E269-I464 HydrophobicContact CG-CG2 4.02Å; V270-I464 HydrophobicContact CG2-CG2 3.92Å; I464-L468 WeakPolarHBondContact O-CB 3.42Å; I464-L468 PolarHBondContact O-N 2.99Å |
| 465 | V | 83.2 | Confident | 68 | Low | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.3 | -56.9 | 175.1 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L233 L236 G463 A467 L468 M469 | L233-V465 HydrophobicContact CD1-CG2 3.67Å; L236-V465 HydrophobicContact CB-CG1 3.9Å; L236-V465 HydrophobicContact CB-CG2 4.24Å; L236-V465 HydrophobicContact CD1-CG2 4.38Å; G463-V465 VanDerWaalsContact C-N 3.28Å; G463-V465 PolarHBondContact O-N 3.48Å; V465-A467 VanDerWaalsContact C-N 3.27Å; V465-A467 PolarHBondContact O-N 3.03Å; V465-L468 PolarHBondContact O-N 3.34Å; V465-L468 VanDerWaalsContact O-N 3.11Å; V465-M469 WeakPolarHBondContact O-CB 3.41Å; V465-M469 PolarHBondContact O-N 3.31Å |
| 466 | G | 85.1 | Confident | 70.1 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.1 | -33.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | T461 G463 A470 | T461-G466 WeakPolarHBondContact O-CA 3.46Å; T461-G466 PolarHBondContact O-N 2.75Å; T461-G466 VanDerWaalsContact O-N 3.09Å; T461-G466 VanDerWaalsContact OG1-CA 3.3Å; T461-G466 WeakPolarHBondContact OG1-CA 3.13Å; T461-G466 PolarHBondContact OG1-N 3Å; G463-G466 PolarHBondContact O-N 2.92Å; G466-A470 VanDerWaalsContact O-CB 3.24Å; G466-A470 WeakPolarHBondContact O-CB 3.27Å; G466-A470 PolarHBondContact O-N 3.07Å |
| 467 | A | 86.6 | Confident | 72.3 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F256 G463 V465 A471 | F256-A467 HydrophobicContact CE2-CB 4.24Å; F256-A467 HydrophobicContact CZ-CB 3.77Å; G463-A467 PolarHBondContact O-N 3Å; G463-A467 VanDerWaalsContact O-N 3.17Å; V465-A467 VanDerWaalsContact C-N 3.27Å; V465-A467 PolarHBondContact O-N 3.03Å; A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.17Å |
| 468 | L | 86.8 | Confident | 73.9 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 174.8 | 179.1 | 57.7 | 0 | 0 | 0 | 111.3 | L233 F234 A237 I239 I253 F256 I464 V465 A471 M472 | L233-L468 HydrophobicContact CD2-CD2 3.93Å; L233-L468 HydrophobicContact CG-CD2 4.1Å; F234-L468 HydrophobicContact CD1-CD2 4.07Å; F234-L468 HydrophobicContact CE1-CD2 4.21Å; A237-L468 HydrophobicContact CB-CD2 4.02Å; A237-L468 HydrophobicContact CB-CG 4.14Å; I239-L468 HydrophobicContact CD1-CD1 4.12Å; I239-L468 HydrophobicContact CD1-CD2 3.74Å; I239-L468 HydrophobicContact CD1-CG 3.82Å; I253-L468 HydrophobicContact CG1-CD1 4.42Å; F256-L468 HydrophobicContact CB-CD1 4.47Å; F256-L468 HydrophobicContact CD1-CB 4.24Å; F256-L468 HydrophobicContact CD1-CD1 3.74Å; F256-L468 HydrophobicContact CD1-CG 4.46Å; F256-L468 HydrophobicContact CE1-CB 3.65Å; F256-L468 HydrophobicContact CE1-CD1 4.06Å; F256-L468 HydrophobicContact CE1-CG 4.33Å; F256-L468 HydrophobicContact CG-CD1 4.01Å; F256-L468 HydrophobicContact CZ-CB 3.85Å; F256-L468 VanDerWaalsContact CZ-N 3.32Å; I464-L468 WeakPolarHBondContact O-CB 3.42Å; I464-L468 PolarHBondContact O-N 2.99Å; V465-L468 PolarHBondContact O-N 3.34Å; V465-L468 VanDerWaalsContact O-N 3.11Å; L468-A471 PolarHBondContact O-N 3.15Å; L468-M472 HydrophobicContact CD1-CG 4.45Å; L468-M472 WeakPolarHBondContact O-CB 3.48Å; L468-M472 WeakPolarHBondContact O-CG 3.22Å; L468-M472 PolarHBondContact O-N 3.31Å |
| 469 | M | 85.8 | Confident | 75.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 20% | 0.202 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.2 | -177.1 | -177.2 | -75.5 | 0 | 0 | 111.3 | L236 V465 M472 Q473 | L236-M469 WeakPolarHBondContact O-CE 3.3Å; V465-M469 WeakPolarHBondContact O-CB 3.41Å; V465-M469 PolarHBondContact O-N 3.31Å; M469-M472 PolarHBondContact O-N 3.13Å; M469-Q473 HydrophobicContact CG-CG 4.5Å; M469-Q473 WeakPolarHBondContact O-CB 3.25Å; M469-Q473 WeakPolarHBondContact O-CG 3.49Å; M469-Q473 PolarHBondContact O-N 2.75Å |
| 470 | A | 85.3 | Confident | 76.3 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 44% | 0.438 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G466 K474 | G466-A470 VanDerWaalsContact O-CB 3.24Å; G466-A470 WeakPolarHBondContact O-CB 3.27Å; G466-A470 PolarHBondContact O-N 3.07Å; A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.4Å |
| 471 | A | 84.4 | Confident | 76.2 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F256 A467 L468 R475 | F256-A471 HydrophobicContact CD2-CB 4.18Å; F256-A471 HydrophobicContact CE2-CB 4.25Å; A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.17Å; L468-A471 PolarHBondContact O-N 3.15Å; A471-R475 PolarHBondContact O-N 2.78Å; A471-R475 VanDerWaalsContact O-N 3.15Å |
| 472 | M | 84.8 | Confident | 75.5 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.4 | -45 | 175.6 | -78.8 | -56 | -47 | 0 | 0 | 112.6 | I239 T249 I253 L468 M469 R475 S476 | I239-M472 HydrophobicContact CD1-CG 3.8Å; I239-M472 HydrophobicContact CD1-SD 4.47Å; I239-M472 HydrophobicContact CG1-CG 4Å; T249-M472 HydrophobicContact CG2-CE 3.58Å; T249-M472 HydrophobicContact CG2-SD 3.87Å; I253-M472 HydrophobicContact CD1-SD 4.34Å; I253-M472 HydrophobicContact CG1-SD 4.08Å; L468-M472 HydrophobicContact CD1-CG 4.45Å; L468-M472 WeakPolarHBondContact O-CB 3.48Å; L468-M472 WeakPolarHBondContact O-CG 3.22Å; L468-M472 PolarHBondContact O-N 3.31Å; M469-M472 PolarHBondContact O-N 3.13Å; M472-R475 PolarHBondContact O-N 2.84Å; M472-S476 WeakPolarHBondContact O-CB 3.4Å; M472-S476 PolarHBondContact O-N 3.28Å; M472-S476 PolarHBondContact O-OG 2.84Å |
| 473 | Q | 82.9 | Confident | 74.6 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 176.7 | -75.2 | 174.8 | -4.8 | 0 | 0 | 112.2 | M469 R475 S476 K477 | M469-Q473 HydrophobicContact CG-CG 4.5Å; M469-Q473 WeakPolarHBondContact O-CB 3.25Å; M469-Q473 WeakPolarHBondContact O-CG 3.49Å; M469-Q473 PolarHBondContact O-N 2.75Å; Q473-R475 VanDerWaalsContact C-N 3.34Å; Q473-S476 WeakPolarHBondContact CA-OG 3.48Å; Q473-S476 PolarHBondContact O-N 3.18Å; Q473-S476 PolarHBondContact O-OG 2.91Å; Q473-S476 VanDerWaalsContact O-OG 3.12Å; Q473-K477 WeakPolarHBondContact O-CG 3.4Å; Q473-K477 PolarHBondContact O-N 3.01Å |
| 474 | K | 84.2 | Confident | 72.9 | Confident | 168 Ų | 168 | 74.5 Ų | 74.5 | 73% | 0.73 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 175.6 | -177.9 | 164.7 | -178.7 | 165.6 | 0 | 111.3 | A470 A478 | A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.4Å; K474-A478 PolarHBondContact O-N 2.74Å |
| 475 | R | 78.2 | Confident | 70.9 | Confident | 51 Ų | 51 | 82 Ų | 82 | 19% | 0.192 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -72.6 | -35.9 | 176.3 | -178.3 | 166.7 | 168.1 | -76.9 | -7.9 | 112.8 | E248 T249 A471 M472 Q473 K477 A478 I479 | E248-R475 IonicContact OE1-CZ 3.63Å; E248-R475 VanDerWaalsContact OE1-CZ 3.22Å; E248-R475 IonicContact OE1-NE 2.67Å; E248-R475 PolarHBondContact OE1-NE 3.06Å; E248-R475 IonicContact OE1-NH2 3.81Å; E248-R475 PolarHBondContact OE1-NH2 2.96Å; E248-R475 IonicContact OE2-NH2 2.61Å; E248-R475 PolarHBondContact OE2-NH2 3.3Å; T249-R475 PolarHBondContact OG1-NH1 2.91Å; A471-R475 PolarHBondContact O-N 2.78Å; A471-R475 VanDerWaalsContact O-N 3.15Å; M472-R475 PolarHBondContact O-N 2.84Å; Q473-R475 VanDerWaalsContact C-N 3.34Å; R475-K477 VanDerWaalsContact C-N 3.29Å; R475-K477 PolarHBondContact O-N 3.31Å; R475-A478 PolarHBondContact O-N 2.78Å; R475-I479 HydrophobicContact CG-CD1 3.56Å; R475-I479 HydrophobicContact CG-CG1 4.35Å; R475-I479 VanDerWaalsContact NH2-CD1 3.34Å; R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.48Å; R475-I479 PolarHBondContact O-N 3.23Å |
| 476 | S | 75.8 | Confident | 69.3 | Low | 44 Ų | 44 | 89 Ų | 89 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.6 | -27.8 | 177 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | M472 Q473 H480 | M472-S476 WeakPolarHBondContact O-CB 3.4Å; M472-S476 PolarHBondContact O-N 3.28Å; M472-S476 PolarHBondContact O-OG 2.84Å; Q473-S476 WeakPolarHBondContact CA-OG 3.48Å; Q473-S476 PolarHBondContact O-N 3.18Å; Q473-S476 PolarHBondContact O-OG 2.91Å; Q473-S476 VanDerWaalsContact O-OG 3.12Å; S476-H480 WeakPolarHBondContact O-CB 3.45Å; S476-H480 PolarHBondContact O-CD2 3.07Å; S476-H480 PolarHBondContact O-N 3Å |
| 477 | K | 77.1 | Confident | 67.4 | Low | 154 Ų | 154 | 95.9 Ų | 95.9 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64 | -56.9 | 169.1 | -75.5 | -176.4 | 174.5 | -159.4 | 0 | 110.5 | Q473 R475 I479 H480 S481 | Q473-K477 WeakPolarHBondContact O-CG 3.4Å; Q473-K477 PolarHBondContact O-N 3.01Å; R475-K477 VanDerWaalsContact C-N 3.29Å; R475-K477 PolarHBondContact O-N 3.31Å; K477-I479 PolarHBondContact O-N 3.49Å; K477-H480 PolarHBondContact O-N 3.47Å; K477-S481 WeakPolarHBondContact O-CB 3.26Å; K477-S481 PolarHBondContact O-N 3.07Å; K477-S481 PolarHBondContact O-OG 3.22Å |
| 478 | A | 71.9 | Confident | 65.6 | Low | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | 3.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | K474 R475 | K474-A478 PolarHBondContact O-N 2.74Å; R475-A478 PolarHBondContact O-N 2.78Å |
| 479 | I | 71.9 | Confident | 63.6 | Low | 80 Ų | 80 | 108.6 Ų | 108.6 | 41% | 0.41 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.9 | -9.8 | 175.2 | -66.2 | 174.5 | 0 | 0 | 0 | 111.1 | R475 K477 | R475-I479 HydrophobicContact CG-CD1 3.56Å; R475-I479 HydrophobicContact CG-CG1 4.35Å; R475-I479 VanDerWaalsContact NH2-CD1 3.34Å; R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.48Å; R475-I479 PolarHBondContact O-N 3.23Å; K477-I479 PolarHBondContact O-N 3.49Å |
| 480 | H | 53.2 | Low | 61.5 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 3.7 | -173.2 | -59.5 | -44.2 | 0 | 0 | 0 | 114.8 | S476 K477 S482 | S476-H480 WeakPolarHBondContact O-CB 3.45Å; S476-H480 PolarHBondContact O-CD2 3.07Å; S476-H480 PolarHBondContact O-N 3Å; K477-H480 PolarHBondContact O-N 3.47Å; H480-S482 VanDerWaalsContact C-N 3.34Å; H480-S482 PolarHBondContact O-N 2.8Å |
| 481 | S | 43.3 | Very low | 59.6 | Low | 88 Ų | 88 | 119.5 Ų | 119.5 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | trans | -84 | 68.1 | -178.5 | 55 | 0 | 0 | 0 | 0 | 113.4 | K477 | K477-S481 WeakPolarHBondContact O-CB 3.26Å; K477-S481 PolarHBondContact O-N 3.07Å; K477-S481 PolarHBondContact O-OG 3.22Å | ||
| 482 | S | 41.4 | Very low | 57.6 | Low | 111 Ų | 111 | 124.4 Ų | 124.4 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -143.1 | 66.4 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | H480 | H480-S482 VanDerWaalsContact C-N 3.34Å; H480-S482 PolarHBondContact O-N 2.8Å | ||
| 483 | D | 43 | Very low | 55.7 | Low | 166 Ų | 166 | 131.3 Ų | 131.3 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -167.7 | 121.9 | 148.4 | -135.4 | 17.6 | 0 | 0 | 0 | 111 | ||
| 484 | D | 42.6 | Very low | 53.6 | Low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | trans | 10.6 | 125 | 169.2 | -93.8 | 15.5 | 0 | 0 | 0 | 123.2 | ||||
| 485 | D | 42.3 | Very low | 51.6 | Low | 170 Ų | 170 | 133.5 Ų | 133.5 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | -164.4 | 130.9 | 114.7 | -124 | -17.7 | 0 | 0 | 0 | 109.9 | |||||
| 486 | D | 48.2 | Very low | 49.8 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | trans | -97.8 | 133.5 | -169.7 | -118.7 | -17.2 | 0 | 0 | 0 | 113 | ||||
| 487 | D | 45.1 | Very low | 48.2 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -162.6 | 127.3 | 151.1 | -125.4 | -12.5 | 0 | 0 | 0 | 109.8 | ||||
| 488 | D | 48.9 | Very low | 46.6 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 128.9 | -164.5 | -70 | -65.9 | 0 | 0 | 0 | 116.7 | ||||
| 489 | D | 45.5 | Very low | 45.8 | Very low | 158 Ų | 158 | 151.5 Ų | 151.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | 178.2 | 136.5 | 120.3 | -103.6 | -29.3 | 0 | 0 | 0 | 113.6 | |||||
| 490 | D | 41.3 | Very low | 44.8 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | 69.2 | 108.1 | 171.6 | -80.1 | -35.2 | 0 | 0 | 0 | 120.5 | ||||
| 491 | D | 46.2 | Very low | 44.5 | Very low | 157 Ų | 157 | 156.4 Ų | 156.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -80.4 | 171.3 | -178.4 | -87 | -55.1 | 0 | 0 | 0 | 117.2 | ||||
| 492 | D | 42.9 | Very low | 44.4 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 81.9 | 71 | 159.8 | -66.4 | -34.7 | 0 | 0 | 0 | 119.9 | ||||
| 493 | D | 44.6 | Very low | 44.2 | Very low | 165 Ų | 165 | 166.4 Ų | 166.4 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | trans | -127.1 | 98.6 | 149.5 | -154.7 | 5.7 | 0 | 0 | 0 | 108.9 | E495 | D493-E495 PolarHBondContact O-N 3.25Š| ||
| 494 | F | 37.7 | Very low | 44.2 | Very low | 191 Ų | 191 | 166.4 Ų | 166.4 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -88.7 | 105.8 | -168 | -141.1 | -89.5 | 0 | 0 | 0 | 111 | ||||
| 495 | E | 41.7 | Very low | 44.3 | Very low | 131 Ų | 131 | 167.2 Ų | 167.2 | 61% | 0.612 | 83% | 0.834 | S | S | * | * | trans | -74 | 131.7 | 170.8 | -62.7 | -166.4 | 152.1 | 0 | 0 | 110.4 | D493 | D493-E495 PolarHBondContact O-N 3.25Š| ||
| 496 | E | 40.8 | Very low | 44.4 | Very low | 177 Ų | 177 | 167.1 Ų | 167.1 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | trans | -109.3 | 86.6 | 174.5 | -169.5 | 177.7 | -132 | 0 | 0 | 108.6 | ||||
| 497 | E | 42.6 | Very low | 44.2 | Very low | 181 Ų | 181 | 167.8 Ų | 167.8 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -100.3 | 119.1 | 165.3 | -156.9 | 179.6 | -118.4 | 0 | 0 | 108.5 | ||||
| 498 | D | 43.8 | Very low | 44.2 | Very low | 158 Ų | 158 | 168.1 Ų | 168.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -158.7 | 68.7 | 161.5 | -115.7 | -25.1 | 0 | 0 | 0 | 108.9 | ||||
| 499 | E | 54.2 | Low | 43.8 | Very low | 161 Ų | 161 | 168.9 Ų | 168.9 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -84.2 | 109.5 | 160.6 | 172.3 | 172.6 | -138.2 | 0 | 0 | 108.5 | ||||
| 500 | W | 52.1 | Low | 43.7 | Very low | 220 Ų | 220 | 169.7 Ų | 169.7 | 83% | 0.833 | 83% | 0.826 | S | S | * | * | trans | -150.1 | 111.7 | 149.2 | -80.9 | 106.7 | 0 | 0 | 0 | 111.2 | ||||
| 501 | D | 45.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 169.9 Ų | 169.9 | 59% | 0.594 | 82% | 0.821 | S | S | * | * | trans | 21.2 | 141.7 | 132.6 | -65.5 | -29.3 | 0 | 0 | 0 | 119.4 | ||||
| 502 | D | 42.2 | Very low | 43.7 | Very low | 147 Ų | 147 | 171 Ų | 171 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | -169.3 | 160.4 | 53.9 | -120.3 | -34.4 | 0 | 0 | 0 | 113 | |||||
| 503 | E | 36.3 | Very low | 43.8 | Very low | 262 Ų | 262 | 173.1 Ų | 173.1 | 100% | 1.224 | 82% | 0.822 | S | S | * | * | trans | 64.6 | 0 | 161.1 | -150.7 | 124.1 | 98.1 | 0 | 0 | 121.8 |
Retrieved 503 of 503 residues in 370.3 ms
(Link to these results)