| 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 | 33 | Very low | 35.4 | Very low | 248 Ų | 248 | 128.8 Ų | 128.8 | 100% | 1.222 | 69% | 0.693 | S | S | * | * | 0 | 94.3 | 0 | -70.3 | 179.7 | -178.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 33.1 | Very low | 35.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -79 | 118.9 | 167.2 | 51.9 | 0 | 0 | 0 | 0 | 107.6 | T4 | S2-T4 PolarHBondContact O-N 3.45Š| ||
| 3 | S | 28.8 | Very low | 36.1 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -68.8 | 95.9 | 172.7 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | T | 33 | Very low | 36.9 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | -151.6 | 116.9 | 163.7 | 1.8 | 0 | 0 | 0 | 0 | 109.4 | S2 | S2-T4 PolarHBondContact O-N 3.45Š| ||
| 5 | E | 29.6 | Very low | 38.1 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 67% | 0.672 | S | S | * | * | trans | 80.5 | 68.4 | 156.8 | -56.3 | 175.8 | 164.6 | 0 | 0 | 118.1 | ||||
| 6 | L | 34 | Very low | 39.8 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 57% | 0.565 | 68% | 0.682 | S | S | * | * | trans | -97.1 | 82.6 | 150.6 | -90.9 | 109.5 | 0 | 0 | 0 | 109.1 | Q21 | L6-Q21 HydrophobicContact CD2-CB 3.88Å; L6-Q21 HydrophobicContact CD2-CG 4.33Å; L6-Q21 VanDerWaalsContact CD2-OE1 3.27Å | ||
| 7 | T | 36.8 | Very low | 42.1 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | trans | -96.5 | 120.1 | 169.9 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | M9 | T7-M9 PolarHBondContact O-N 3.07Š| ||
| 8 | I | 35.2 | Very low | 44.5 | Very low | 147 Ų | 147 | 115.6 Ų | 115.6 | 75% | 0.754 | 63% | 0.631 | S | S | * | * | trans | -43.3 | 111.3 | -178.2 | -63.9 | 157.5 | 0 | 0 | 0 | 111.9 | K10 | I8-K10 HydrophobicContact CG2-CG 4.23Š| ||
| 9 | M | 41.2 | Very low | 46.8 | Very low | 80 Ų | 80 | 110.2 Ų | 110.2 | 39% | 0.394 | 60% | 0.602 | S | S | . | * | trans | -93.7 | 92.8 | 163.8 | -68.7 | -175.8 | -176.3 | 0 | 0 | 109 | T7 Q11 K170 | T7-M9 PolarHBondContact O-N 3.07Å; M9-Q11 PolarHBondContact O-N 3.04Å; M9-K170 HydrophobicContact CE-CB 3.53Å; M9-K170 HydrophobicContact CE-CD 3.34Å; M9-K170 HydrophobicContact CE-CG 4.06Å; M9-K170 HydrophobicContact CG-CD 4.21Å; M9-K170 HydrophobicContact SD-CB 4.2Å; M9-K170 HydrophobicContact SD-CD 3.17Å; M9-K170 WeakPolarHBondContact SD-CD 3.29Å; M9-K170 HydrophobicContact SD-CG 4.33Å | ||
| 10 | K | 40.2 | Very low | 49 | Very low | 191 Ų | 191 | 109.6 Ų | 109.6 | 83% | 0.83 | 59% | 0.591 | S | S | * | * | trans | -72.1 | 103.1 | 154.1 | -78.4 | -175.1 | 175.7 | -176.3 | 0 | 106.7 | I8 | I8-K10 HydrophobicContact CG2-CG 4.23Š| ||
| 11 | Q | 45.1 | Very low | 50.8 | Low | 20 Ų | 20 | 107.8 Ų | 107.8 | 9% | 0.093 | 58% | 0.579 | C | S | . | * | trans | -90.6 | 114.6 | 168.5 | -77.4 | 179.9 | 7.9 | 0 | 0 | 109.2 | M9 N13 H168 K170 | M9-Q11 PolarHBondContact O-N 3.04Å; Q11-N13 PolarHBondContact O-N 2.82Å; Q11-N13 PolarHBondContact OE1-ND2 2.99Å; Q11-H168 PolarHBondContact NE2-CE1 2.53Å; Q11-H168 PolarHBondContact NE2-NE2 3.13Å; Q11-K170 VanDerWaalsContact NE2-NZ 3.13Å | ||
| 12 | S | 34.8 | Very low | 53.4 | Low | 119 Ų | 119 | 97.5 Ų | 97.5 | 83% | 0.832 | 53% | 0.531 | S | S | * | . | trans | -80.8 | 77 | 154.5 | 61.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 13 | N | 44.5 | Very low | 55.8 | Low | 50 Ų | 50 | 99.2 Ų | 99.2 | 27% | 0.267 | 53% | 0.531 | S | S | . | . | trans | -70.3 | 138.6 | 164.4 | -85.9 | -12.3 | 0 | 0 | 0 | 107.1 | Q11 N15 G112 | Q11-N13 PolarHBondContact O-N 2.82Å; Q11-N13 PolarHBondContact OE1-ND2 2.99Å; N13-N15 CarbonylContact O-C 3.58Å; N13-N15 PolarHBondContact O-N 3.43Å; N13-G112 PolarHBondContact ND2-O 3.17Å; N13-G112 VanDerWaalsContact ND2-O 3.14Å | ||
| 14 | N | 47.4 | Very low | 58.5 | Low | 172 Ų | 172 | 99.5 Ų | 99.5 | 92% | 0.92 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -60.5 | 5.1 | 170.7 | -87.5 | -23.7 | 0 | 0 | 0 | 113.5 | ||
| 15 | N | 55.2 | Low | 60.8 | Low | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -108.8 | 121.3 | 169.2 | -62.2 | -33.5 | 0 | 0 | 0 | 106.5 | N13 I17 P193 | N13-N15 CarbonylContact O-C 3.58Å; N13-N15 PolarHBondContact O-N 3.43Å; N15-I17 PolarHBondContact O-N 3.32Å; N15-P193 HydrophobicContact CB-CB 4.12Å; N15-P193 HydrophobicContact CB-CG 4.17Å; N15-P193 WeakPolarHBondContact ND2-CG 3.34Å |
| 16 | N | 64.7 | Low | 63.3 | Low | 153 Ų | 153 | 97.2 Ų | 97.2 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -57 | 51 | -172.5 | -66.7 | -35 | 0 | 0 | 0 | 116.4 | ||
| 17 | I | 78.9 | Confident | 65.5 | Low | 9 Ų | 9 | 101.5 Ų | 101.5 | 5% | 0.046 | 51% | 0.514 | C | S | . | . | trans | -125.1 | 109.8 | -175.8 | -51.1 | 176.7 | 0 | 0 | 0 | 107.6 | N15 L19 I50 K91 P193 | N15-I17 PolarHBondContact O-N 3.32Å; I17-L19 HydrophobicContact CG2-CD2 3.59Å; I17-L19 HydrophobicContact CG2-CG 3.87Å; I17-L19 PolarHBondContact O-N 3.35Å; I17-I50 HydrophobicContact CG2-CD1 3.72Å; I17-K91 HydrophobicContact CD1-CB 3.64Å; I17-K91 HydrophobicContact CD1-CG 3.97Å; I17-K91 VanDerWaalsContact CD1-O 3.31Å; I17-K91 WeakPolarHBondContact CD1-O 3.18Å; I17-K91 HydrophobicContact CG1-CB 4.11Å; I17-K91 HydrophobicContact CG1-CD 4.38Å; I17-K91 HydrophobicContact CG1-CG 3.91Å; I17-P193 HydrophobicContact CD1-CB 3.88Å | ||
| 18 | N | 86.3 | Confident | 67.6 | Low | 77 Ų | 77 | 98.5 Ų | 98.5 | 41% | 0.412 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 93 | 175.9 | -56.9 | -62.8 | 0 | 0 | 0 | 109.5 | D48 H49 I50 | N18-D48 WeakPolarHBondContact CB-O 3.28Å; N18-D48 PolarHBondContact ND2-O 3.25Å; N18-D48 VanDerWaalsContact ND2-O 3.1Å; N18-H49 CarbonylContact O-C 3.56Å; N18-H49 VanDerWaalsContact O-CA 3.31Å; N18-H49 WeakPolarHBondContact O-CA 3.46Å; N18-I50 PolarHBondContact O-N 2.97Å |
| 19 | L | 87.7 | Confident | 69.7 | Low | 13 Ų | 13 | 95 Ų | 95 | 7% | 0.068 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 139.9 | 173.4 | -59.1 | -179 | 0 | 0 | 0 | 110.4 | I17 I50 I52 D114 | I17-L19 HydrophobicContact CG2-CD2 3.59Å; I17-L19 HydrophobicContact CG2-CG 3.87Å; I17-L19 PolarHBondContact O-N 3.35Å; L19-I50 WeakPolarHBondContact CA-O 3.4Å; L19-I50 HydrophobicContact CD2-CB 3.77Å; L19-I50 HydrophobicContact CD2-CD1 4.28Å; L19-I50 HydrophobicContact CD2-CG2 3.91Å; L19-I52 HydrophobicContact CB-CG2 4.11Å; L19-I52 HydrophobicContact CD1-CG2 4.38Å; L19-I52 HydrophobicContact CD2-CG2 4.28Å; L19-I52 HydrophobicContact CG-CG2 4.49Å; L19-D114 HydrophobicContact CD1-CB 3.99Å; L19-D114 VanDerWaalsContact CD1-CG 3.44Å; L19-D114 WeakPolarHBondContact CD1-OD2 3.5Å |
| 20 | Y | 90.4 | Very high | 71.7 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 172.4 | 172.5 | 72.6 | -76.7 | 0 | 0 | 0 | 110.9 | H49 I50 D51 I52 | Y20-H49 HydrophobicContact CD1-CB 4.06Å; Y20-H49 HydrophobicContact CE1-CB 3.72Å; Y20-I50 VanDerWaalsContact CD1-O 3.31Å; Y20-I50 WeakPolarHBondContact CD1-O 3.22Å; Y20-I50 PolarHBondContact N-O 2.84Å; Y20-D51 HydrophobicContact CE1-CB 4.06Å; Y20-D51 HydrophobicContact CE2-CB 4.06Å; Y20-D51 WeakPolarHBondContact O-CA 3.32Å; Y20-I52 PolarHBondContact O-N 3.14Å |
| 21 | Q | 86.7 | Confident | 74 | Confident | 72 Ų | 72 | 91 Ų | 91 | 34% | 0.336 | 46% | 0.461 | S | S | . | . | trans | -122.6 | 131.5 | 174.7 | -74.5 | 173.7 | -18.4 | 0 | 0 | 109.1 | L6 D51 I52 | L6-Q21 HydrophobicContact CD2-CB 3.88Å; L6-Q21 HydrophobicContact CD2-CG 4.33Å; L6-Q21 VanDerWaalsContact CD2-OE1 3.27Å; Q21-D51 WeakPolarHBondContact CA-OD1 3.28Å; Q21-I52 HydrophobicContact CB-CG1 4.42Å; Q21-I52 HydrophobicContact CG-CD1 3.35Å; Q21-I52 HydrophobicContact CG-CG1 3.25Å | ||
| 22 | S | 87.9 | Confident | 76.1 | Confident | 31 Ų | 31 | 93.8 Ų | 93.8 | 22% | 0.217 | 48% | 0.477 | C | S | . | . | trans | -127.9 | 163.3 | 168.6 | 85.7 | 0 | 0 | 0 | 0 | 112.3 | H24 D51 N53 | S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 WeakPolarHBondContact OG-CB 3.39Å; S22-H24 PolarHBondContact OG-N 3.12Å; S22-H24 VanDerWaalsContact OG-N 3.16Å; S22-D51 WeakPolarHBondContact CA-OD2 3.29Å; S22-D51 WeakPolarHBondContact CB-OD2 3.41Å; S22-D51 PolarHBondContact N-OD1 3.32Å; S22-D51 PolarHBondContact N-OD2 2.85Å; S22-D51 PolarHBondContact OG-OD2 3.09Å; S22-N53 PolarHBondContact O-ND2 2.94Å | ||
| 23 | N | 83.7 | Confident | 79 | Confident | 147 Ų | 147 | 90.1 Ų | 90.1 | 79% | 0.786 | 45% | 0.449 | S | S | * | . | trans | -87.8 | 17.9 | 172.7 | -66.1 | -36.5 | 0 | 0 | 0 | 112.4 | ||||
| 24 | H | 84.7 | Confident | 81.5 | Confident | 123 Ų | 123 | 87.9 Ų | 87.9 | 57% | 0.569 | 44% | 0.437 | S | S | * | . | trans | -65.8 | 139.4 | -179.2 | -166.7 | 72.2 | 0 | 0 | 0 | 110.9 | S22 Y26 | S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 WeakPolarHBondContact OG-CB 3.39Å; S22-H24 PolarHBondContact OG-N 3.12Å; S22-H24 VanDerWaalsContact OG-N 3.16Å; H24-Y26 HydrophobicContact CB-CE2 4.14Å; H24-Y26 AromaticContact CD2-CD1 3.95Å; H24-Y26 AromaticContact CD2-CE1 3.8Å; H24-Y26 AromaticContact CD2-CZ 3.97Å; H24-Y26 WeakPolarHBondContact O-CD2 3.27Å; H24-Y26 WeakPolarHBondContact O-CE2 3.48Å | ||
| 25 | K | 81.5 | Confident | 83.8 | Confident | 191 Ų | 191 | 83.7 Ų | 83.7 | 83% | 0.83 | 42% | 0.415 | S | S | * | . | trans | -93.9 | 115 | 172.2 | -71.3 | -173.5 | 178.2 | -177.8 | 0 | 108.6 | ||||
| 26 | Y | 83.5 | Confident | 85.8 | Confident | 45 Ų | 45 | 82 Ų | 82 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | trans | -81.9 | 130.2 | -178.5 | -64.6 | -86.9 | 0 | 0 | 0 | 111.4 | H24 D51 E54 | H24-Y26 HydrophobicContact CB-CE2 4.14Å; H24-Y26 AromaticContact CD2-CD1 3.95Å; H24-Y26 AromaticContact CD2-CE1 3.8Å; H24-Y26 AromaticContact CD2-CZ 3.97Å; H24-Y26 WeakPolarHBondContact O-CD2 3.27Å; H24-Y26 WeakPolarHBondContact O-CE2 3.48Å; Y26-D51 WeakPolarHBondContact OH-CB 3.07Å; Y26-D51 PolarHBondContact OH-OD2 3.33Å; Y26-E54 HydrophobicContact CD1-CB 3.96Å; Y26-E54 HydrophobicContact CD1-CG 3.49Å; Y26-E54 VanDerWaalsContact CD1-CG 3.49Å; Y26-E54 HydrophobicContact CD2-CB 4.09Å; Y26-E54 HydrophobicContact CD2-CG 4.3Å; Y26-E54 HydrophobicContact CE1-CB 3.59Å; Y26-E54 VanDerWaalsContact CE1-CD 3.42Å; Y26-E54 HydrophobicContact CE1-CG 3.51Å; Y26-E54 HydrophobicContact CE2-CB 3.75Å; Y26-E54 HydrophobicContact CE2-CG 4.35Å; Y26-E54 HydrophobicContact CG-CB 4.2Å; Y26-E54 HydrophobicContact CG-CG 3.91Å | ||
| 27 | Q | 79.7 | Confident | 87.3 | Confident | 198 Ų | 198 | 74.7 Ų | 74.7 | 93% | 0.925 | 37% | 0.367 | S | S | * | . | trans | -87 | 105.4 | 162.2 | -70.7 | -174.6 | -3.6 | 0 | 0 | 107.8 | ||||
| 28 | L | 79.9 | Confident | 88.2 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | trans | -80.8 | 146.2 | -175.2 | -61.2 | -173.2 | 0 | 0 | 0 | 111.9 | T57 I58 E61 | L28-T57 HydrophobicContact CD1-CG2 3.92Å; L28-T57 HydrophobicContact CG-CG2 4.42Å; L28-I58 HydrophobicContact CD1-CB 4.46Å; L28-I58 HydrophobicContact CD1-CG1 3.72Å; L28-I58 HydrophobicContact CD2-CD1 3.88Å; L28-I58 HydrophobicContact CD2-CG1 3.37Å; L28-I58 HydrophobicContact CG-CG1 4.15Å; L28-E61 HydrophobicContact CD1-CB 3.84Å; L28-E61 HydrophobicContact CD1-CG 3.88Å | ||
| 29 | P | 80.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 47% | 0.468 | 37% | 0.373 | S | S | . | . | trans | -60.1 | 161.3 | 164.2 | 29.3 | -34.5 | 0 | 0 | 0 | 109.6 | I31 T40 | P29-I31 HydrophobicContact CG-CG1 4.23Å; P29-I31 WeakPolarHBondContact O-CG1 3.34Å; P29-I31 PolarHBondContact O-N 2.81Å; P29-I31 VanDerWaalsContact O-N 3.13Å; P29-T40 HydrophobicContact CG-CG2 3.89Å | ||
| 30 | K | 81.7 | Confident | 89 | Confident | 172 Ų | 172 | 77.1 Ų | 77.1 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | trans | -70.6 | 109.1 | 174 | -158.6 | -168.5 | 177.1 | -171.8 | 0 | 109.2 | N32 | K30-N32 WeakPolarHBondContact CD-ND2 3.38Å; K30-N32 VanDerWaalsContact CE-ND2 3.32Å; K30-N32 WeakPolarHBondContact CE-ND2 3.36Å; K30-N32 WeakPolarHBondContact CE-OD1 3.4Å; K30-N32 VanDerWaalsContact CG-ND2 3.29Å; K30-N32 WeakPolarHBondContact CG-ND2 3.47Å; K30-N32 WeakPolarHBondContact CG-OD1 3.49Å | ||
| 31 | I | 89.4 | Confident | 89.3 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | trans | -106.1 | 96.1 | -179.2 | -46.4 | -178.7 | 0 | 0 | 0 | 108.9 | P29 D36 L37 T40 I58 F62 | P29-I31 HydrophobicContact CG-CG1 4.23Å; P29-I31 WeakPolarHBondContact O-CG1 3.34Å; P29-I31 PolarHBondContact O-N 2.81Å; P29-I31 VanDerWaalsContact O-N 3.13Å; I31-D36 HydrophobicContact CB-CB 4.48Å; I31-D36 HydrophobicContact CG2-CB 3.82Å; I31-L37 VanDerWaalsContact CG2-CA 3.48Å; I31-L37 HydrophobicContact CG2-CB 3.77Å; I31-L37 HydrophobicContact CG2-CD1 4.38Å; I31-L37 VanDerWaalsContact CG2-N 3.29Å; I31-T40 HydrophobicContact CD1-CG2 4.06Å; I31-I58 HydrophobicContact CD1-CB 4.47Å; I31-I58 HydrophobicContact CD1-CG1 4.3Å; I31-I58 HydrophobicContact CD1-CG2 3.68Å; I31-F62 HydrophobicContact CB-CD2 4.19Å; I31-F62 HydrophobicContact CG2-CD2 3.4Å; I31-F62 VanDerWaalsContact CG2-CD2 3.4Å; I31-F62 HydrophobicContact CG2-CE2 3.94Å; I31-F62 HydrophobicContact CG2-CG 4.34Å | ||
| 32 | N | 89 | Confident | 89.7 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -111.7 | -12.7 | -175.2 | -46.4 | -69.8 | 0 | 0 | 0 | 113.8 | K30 D36 C64 | K30-N32 WeakPolarHBondContact CD-ND2 3.38Å; K30-N32 VanDerWaalsContact CE-ND2 3.32Å; K30-N32 WeakPolarHBondContact CE-ND2 3.36Å; K30-N32 WeakPolarHBondContact CE-OD1 3.4Å; K30-N32 VanDerWaalsContact CG-ND2 3.29Å; K30-N32 WeakPolarHBondContact CG-ND2 3.47Å; K30-N32 WeakPolarHBondContact CG-OD1 3.49Å; N32-D36 PolarHBondContact N-OD2 3.39Å; N32-C64 WeakPolarHBondContact O-CB 3.17Å | ||
| 33 | T | 96.2 | Very high | 90 | Very high | 41 Ų | 41 | 76.7 Ų | 76.7 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -125.9 | 156.7 | 179.9 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | N35 D36 L37 F62 | T33-N35 PolarHBondContact O-N 3.09Å; T33-D36 PolarHBondContact N-OD2 3.04Å; T33-D36 VanDerWaalsContact N-OD2 3.12Å; T33-D36 WeakPolarHBondContact O-CB 3.2Å; T33-D36 PolarHBondContact O-N 3.16Å; T33-D36 VanDerWaalsContact O-N 3.09Å; T33-D36 PolarHBondContact OG1-N 3.25Å; T33-D36 PolarHBondContact OG1-OD1 3.44Å; T33-D36 PolarHBondContact OG1-OD2 3.31Å; T33-L37 PolarHBondContact O-N 3.24Å; T33-L37 VanDerWaalsContact O-N 3.14Å; T33-F62 WeakPolarHBondContact O-CE2 3.12Å |
| 34 | L | 96.7 | Very high | 90.5 | Very high | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 173.9 | 178.8 | 56.8 | 0 | 0 | 0 | 111.6 | L37 I38 F62 E68 W69 Y72 I85 | L34-L37 HydrophobicContact CD1-CD2 4.18Å; L34-L37 WeakPolarHBondContact O-CB 3.3Å; L34-L37 PolarHBondContact O-N 2.95Å; L34-I38 HydrophobicContact CD1-CD1 4.45Å; L34-I38 HydrophobicContact CG-CD1 4.14Å; L34-I38 WeakPolarHBondContact O-CD1 3.5Å; L34-I38 VanDerWaalsContact O-CG1 3.28Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 3.47Å; L34-F62 HydrophobicContact CB-CZ 4.41Å; L34-F62 HydrophobicContact CD1-CZ 4.28Å; L34-E68 HydrophobicContact CB-CB 4.17Å; L34-W69 HydrophobicContact CD1-CE3 4.46Å; L34-W69 HydrophobicContact CD1-CH2 3.71Å; L34-W69 HydrophobicContact CD1-CZ3 3.58Å; L34-W69 HydrophobicContact CD2-CE3 3.95Å; L34-W69 HydrophobicContact CD2-CZ3 3.84Å; L34-W69 HydrophobicContact CG-CZ3 4.32Å; L34-Y72 HydrophobicContact CD2-CD2 4.08Å; L34-Y72 HydrophobicContact CD2-CE2 3.52Å; L34-I85 HydrophobicContact CD1-CG2 4.5Å; L34-I85 HydrophobicContact CD2-CG2 4.35Å |
| 35 | N | 96 | Very high | 91 | Very high | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 175.5 | -173.1 | 51 | 0 | 0 | 0 | 112.8 | T33 L37 I38 K39 | T33-N35 PolarHBondContact O-N 3.09Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-I38 PolarHBondContact O-N 3.32Å; N35-K39 WeakPolarHBondContact ND2-CE 3.16Å; N35-K39 PolarHBondContact ND2-NZ 3.04Å; N35-K39 WeakPolarHBondContact O-CG 3.19Å; N35-K39 PolarHBondContact O-N 3.23Å |
| 36 | D | 96 | Very high | 91.6 | Very high | 46 Ų | 46 | 60 Ų | 60 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.4 | -60.2 | -33.9 | 0 | 0 | 0 | 110 | I31 N32 T33 I38 K39 T40 | I31-D36 HydrophobicContact CB-CB 4.48Å; I31-D36 HydrophobicContact CG2-CB 3.82Å; N32-D36 PolarHBondContact N-OD2 3.39Å; T33-D36 PolarHBondContact N-OD2 3.04Å; T33-D36 VanDerWaalsContact N-OD2 3.12Å; T33-D36 WeakPolarHBondContact O-CB 3.2Å; T33-D36 PolarHBondContact O-N 3.16Å; T33-D36 VanDerWaalsContact O-N 3.09Å; T33-D36 PolarHBondContact OG1-N 3.25Å; T33-D36 PolarHBondContact OG1-OD1 3.44Å; T33-D36 PolarHBondContact OG1-OD2 3.31Å; D36-I38 PolarHBondContact O-N 2.92Å; D36-K39 PolarHBondContact O-N 2.77Å; D36-T40 PolarHBondContact O-N 2.91Å; D36-T40 PolarHBondContact O-OG1 2.78Å; D36-T40 VanDerWaalsContact O-OG1 3.07Å |
| 37 | L | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58 | -51.5 | 177.1 | 177.6 | 71 | 0 | 0 | 0 | 110.9 | I31 T33 L34 N35 K39 T40 I41 I58 L59 F62 L94 L188 | I31-L37 VanDerWaalsContact CG2-CA 3.48Å; I31-L37 HydrophobicContact CG2-CB 3.77Å; I31-L37 HydrophobicContact CG2-CD1 4.38Å; I31-L37 VanDerWaalsContact CG2-N 3.29Å; T33-L37 PolarHBondContact O-N 3.24Å; T33-L37 VanDerWaalsContact O-N 3.14Å; L34-L37 HydrophobicContact CD1-CD2 4.18Å; L34-L37 WeakPolarHBondContact O-CB 3.3Å; L34-L37 PolarHBondContact O-N 2.95Å; N35-L37 VanDerWaalsContact C-N 3.31Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3Å; L37-T40 PolarHBondContact O-N 3.09Å; L37-I41 HydrophobicContact CD1-CD1 3.78Å; L37-I41 HydrophobicContact CD1-CG1 4.12Å; L37-I41 HydrophobicContact CD2-CD1 4.14Å; L37-I41 HydrophobicContact CG-CD1 3.68Å; L37-I41 HydrophobicContact CG-CG1 4.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.36Å; L37-I41 PolarHBondContact O-N 3.41Å; L37-I58 HydrophobicContact CD1-CG2 3.5Å; L37-I58 VanDerWaalsContact CD1-CG2 3.5Å; L37-L59 HydrophobicContact CD1-CD2 4.47Å; L37-F62 HydrophobicContact CB-CD2 3.92Å; L37-F62 HydrophobicContact CB-CE1 4.4Å; L37-F62 HydrophobicContact CB-CE2 3.82Å; L37-F62 HydrophobicContact CB-CG 4.24Å; L37-F62 HydrophobicContact CB-CZ 4.06Å; L37-F62 HydrophobicContact CD1-CB 3.97Å; L37-F62 HydrophobicContact CD1-CD1 4.29Å; L37-F62 HydrophobicContact CD1-CD2 4.31Å; L37-F62 HydrophobicContact CD1-CG 3.92Å; L37-F62 HydrophobicContact CD2-CD1 3.59Å; L37-F62 HydrophobicContact CD2-CD2 4.48Å; L37-F62 HydrophobicContact CD2-CE1 3.6Å; L37-F62 HydrophobicContact CD2-CG 4.02Å; L37-F62 HydrophobicContact CD2-CZ 4.07Å; L37-F62 HydrophobicContact CG-CD1 4.33Å; L37-F62 HydrophobicContact CG-CD2 4.45Å; L37-F62 HydrophobicContact CG-CE1 4.49Å; L37-F62 HydrophobicContact CG-CG 4.26Å; L37-L94 HydrophobicContact CD2-CD2 4.49Å; L37-L188 HydrophobicContact CD2-CD2 3.8Å |
| 38 | I | 96.9 | Very high | 92.4 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -44.9 | -179.6 | -67.7 | 162.4 | 0 | 0 | 0 | 110.4 | L34 N35 D36 I41 R42 I85 D86 L94 | L34-I38 HydrophobicContact CD1-CD1 4.45Å; L34-I38 HydrophobicContact CG-CD1 4.14Å; L34-I38 WeakPolarHBondContact O-CD1 3.5Å; L34-I38 VanDerWaalsContact O-CG1 3.28Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 3.47Å; N35-I38 PolarHBondContact O-N 3.32Å; D36-I38 PolarHBondContact O-N 2.92Å; I38-I41 PolarHBondContact O-N 2.91Å; I38-R42 HydrophobicContact CG2-CG 4.46Å; I38-R42 WeakPolarHBondContact O-CB 3.5Å; I38-R42 VanDerWaalsContact O-CG 3.28Å; I38-R42 WeakPolarHBondContact O-CG 3.48Å; I38-R42 PolarHBondContact O-N 3.02Å; I38-I85 HydrophobicContact CD1-CG2 3.69Å; I38-I85 HydrophobicContact CG1-CG2 4.28Å; I38-D86 HydrophobicContact CG1-CB 4.39Å; I38-D86 HydrophobicContact CG2-CB 4.19Å; I38-L94 HydrophobicContact CG1-CD2 4.08Å |
| 39 | K | 95.7 | Very high | 93 | Very high | 112 Ų | 112 | 60.5 Ų | 60.5 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 177.5 | -73.7 | 172.2 | -179.8 | 174.5 | 0 | 112.1 | N35 D36 L37 R42 I43 | N35-K39 WeakPolarHBondContact ND2-CE 3.16Å; N35-K39 PolarHBondContact ND2-NZ 3.04Å; N35-K39 WeakPolarHBondContact O-CG 3.19Å; N35-K39 PolarHBondContact O-N 3.23Å; D36-K39 PolarHBondContact O-N 2.77Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3Å; K39-R42 PolarHBondContact O-N 3.07Å; K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 3.36Å |
| 40 | T | 95.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 179 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | P29 I31 D36 L37 R42 I43 I44 I58 | P29-T40 HydrophobicContact CG-CG2 3.89Å; I31-T40 HydrophobicContact CD1-CG2 4.06Å; D36-T40 PolarHBondContact O-N 2.91Å; D36-T40 PolarHBondContact O-OG1 2.78Å; D36-T40 VanDerWaalsContact O-OG1 3.07Å; L37-T40 PolarHBondContact O-N 3.09Å; T40-R42 VanDerWaalsContact C-N 3.34Å; T40-R42 PolarHBondContact O-N 3.19Å; T40-I43 WeakPolarHBondContact O-CB 3.31Å; T40-I43 PolarHBondContact O-N 3.27Å; T40-I43 VanDerWaalsContact O-N 3.17Å; T40-I44 HydrophobicContact CG2-CD1 4.27Å; T40-I44 PolarHBondContact O-N 3.47Å; T40-I44 VanDerWaalsContact O-N 3.1Å; T40-I58 HydrophobicContact CG2-CD1 3.73Å; T40-I58 HydrophobicContact CG2-CG1 4.39Å; T40-I58 HydrophobicContact CG2-CG2 4.49Å |
| 41 | I | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 175.2 | -66.4 | 173 | 0 | 0 | 0 | 110.1 | L37 I38 I43 I44 F45 I58 L59 Y92 L94 L190 | L37-I41 HydrophobicContact CD1-CD1 3.78Å; L37-I41 HydrophobicContact CD1-CG1 4.12Å; L37-I41 HydrophobicContact CD2-CD1 4.14Å; L37-I41 HydrophobicContact CG-CD1 3.68Å; L37-I41 HydrophobicContact CG-CG1 4.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.36Å; L37-I41 PolarHBondContact O-N 3.41Å; I38-I41 PolarHBondContact O-N 2.91Å; I41-I43 VanDerWaalsContact C-N 3.29Å; I41-I43 PolarHBondContact O-N 3.02Å; I41-I44 PolarHBondContact O-N 3.44Å; I41-I44 VanDerWaalsContact O-N 3.16Å; I41-F45 HydrophobicContact CG2-CD2 3.57Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-F45 WeakPolarHBondContact O-CD2 3.16Å; I41-F45 PolarHBondContact O-N 3.43Å; I41-I58 HydrophobicContact CG1-CG2 4.46Å; I41-L59 HydrophobicContact CD1-CD2 4.24Å; I41-Y92 HydrophobicContact CG2-CD1 4.23Å; I41-Y92 HydrophobicContact CG2-CD2 4.09Å; I41-Y92 HydrophobicContact CG2-CE1 3.71Å; I41-Y92 HydrophobicContact CG2-CE2 3.62Å; I41-Y92 HydrophobicContact CG2-CG 4.39Å; I41-L94 HydrophobicContact CD1-CD1 4.22Å; I41-L94 HydrophobicContact CD1-CD2 4.31Å; I41-L190 HydrophobicContact CD1-CD1 4Å; I41-L190 HydrophobicContact CG2-CD1 3.82Å |
| 42 | R | 95.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 48.6 Ų | 48.6 | 30% | 0.302 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 175.8 | -75.3 | 179.7 | 170.3 | -79.8 | -1.8 | 113 | I38 K39 T40 N46 D86 G88 Y92 | I38-R42 HydrophobicContact CG2-CG 4.46Å; I38-R42 WeakPolarHBondContact O-CB 3.5Å; I38-R42 VanDerWaalsContact O-CG 3.28Å; I38-R42 WeakPolarHBondContact O-CG 3.48Å; I38-R42 PolarHBondContact O-N 3.02Å; K39-R42 PolarHBondContact O-N 3.07Å; T40-R42 VanDerWaalsContact C-N 3.34Å; T40-R42 PolarHBondContact O-N 3.19Å; R42-N46 WeakPolarHBondContact O-CB 3.22Å; R42-N46 PolarHBondContact O-N 3.29Å; R42-N46 PolarHBondContact O-ND2 2.92Å; R42-D86 IonicContact CZ-OD1 3.55Å; R42-D86 IonicContact CZ-OD2 3.84Å; R42-D86 IonicContact NE-OD1 3.19Å; R42-D86 PolarHBondContact NE-OD1 3Å; R42-D86 IonicContact NE-OD2 3.43Å; R42-D86 PolarHBondContact NE-OD2 2.89Å; R42-D86 VanDerWaalsContact NH2-CG 3.33Å; R42-D86 IonicContact NH2-OD1 3.3Å; R42-D86 PolarHBondContact NH2-OD1 2.8Å; R42-D86 IonicContact NH2-OD2 3.94Å; R42-D86 PolarHBondContact NH2-OD2 3.47Å; R42-G88 VanDerWaalsContact CZ-O 3.26Å; R42-G88 PolarHBondContact NH1-O 3.46Å; R42-G88 PolarHBondContact NH2-O 2.91Å; R42-Y92 WeakPolarHBondContact CG-OH 3.32Å |
| 43 | I | 94.7 | Very high | 94.4 | Very high | 111 Ų | 111 | 47 Ų | 47 | 57% | 0.569 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.1 | -46 | 176.2 | -70.7 | 164.1 | 0 | 0 | 0 | 110.7 | K39 T40 I41 N46 | K39-I43 WeakPolarHBondContact O-CG1 3.27Å; K39-I43 PolarHBondContact O-N 3.36Å; T40-I43 WeakPolarHBondContact O-CB 3.31Å; T40-I43 PolarHBondContact O-N 3.27Å; T40-I43 VanDerWaalsContact O-N 3.17Å; I41-I43 VanDerWaalsContact C-N 3.29Å; I41-I43 PolarHBondContact O-N 3.02Å; I43-N46 PolarHBondContact O-N 3.4Å |
| 44 | I | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -50.6 | 179.6 | -71 | 163.3 | 0 | 0 | 0 | 110.8 | T40 I41 N46 Q47 I50 E54 V55 I58 | T40-I44 HydrophobicContact CG2-CD1 4.27Å; T40-I44 PolarHBondContact O-N 3.47Å; T40-I44 VanDerWaalsContact O-N 3.1Å; I41-I44 PolarHBondContact O-N 3.44Å; I41-I44 VanDerWaalsContact O-N 3.16Å; I44-N46 PolarHBondContact O-N 3.04Å; I44-N46 VanDerWaalsContact O-N 3.17Å; I44-Q47 VanDerWaalsContact O-CB 3.24Å; I44-Q47 WeakPolarHBondContact O-CB 3.48Å; I44-Q47 WeakPolarHBondContact O-CG 3.49Å; I44-Q47 PolarHBondContact O-N 3.15Å; I44-I50 HydrophobicContact CG2-CG1 4.36Å; I44-I50 HydrophobicContact CG2-CG2 3.71Å; I44-I50 WeakPolarHBondContact O-CG1 3.36Å; I44-E54 HydrophobicContact CD1-CG 3.8Å; I44-E54 HydrophobicContact CG1-CG 4.39Å; I44-V55 HydrophobicContact CG2-CG2 4.09Å; I44-I58 HydrophobicContact CD1-CD1 3Å; I44-I58 HydrophobicContact CD1-CG1 4.47Å; I44-I58 HydrophobicContact CG1-CD1 4.4Å |
| 45 | F | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.8 | -9.3 | -179.3 | -78.3 | -91.7 | 0 | 0 | 0 | 112.9 | I41 Q47 I50 V55 N89 K91 Y92 L190 C192 | I41-F45 HydrophobicContact CG2-CD2 3.57Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-F45 WeakPolarHBondContact O-CD2 3.16Å; I41-F45 PolarHBondContact O-N 3.43Å; F45-Q47 VanDerWaalsContact C-N 3.28Å; F45-I50 HydrophobicContact CB-CD1 4.48Å; F45-I50 HydrophobicContact CD1-CD1 3.61Å; F45-I50 HydrophobicContact CE1-CD1 4.02Å; F45-I50 HydrophobicContact CG-CD1 4.17Å; F45-I50 HydrophobicContact CZ-CG2 4.44Å; F45-V55 HydrophobicContact CE2-CG1 4.39Å; F45-V55 HydrophobicContact CE2-CG2 3.84Å; F45-V55 HydrophobicContact CZ-CG2 4.07Å; F45-N89 VanDerWaalsContact C-ND2 3.33Å; F45-N89 PolarHBondContact O-ND2 3.38Å; F45-K91 HydrophobicContact CD1-CB 3.97Å; F45-K91 WeakPolarHBondContact O-CD 3.48Å; F45-K91 WeakPolarHBondContact O-CE 3.45Å; F45-K91 PolarHBondContact O-NZ 2.9Å; F45-Y92 HydrophobicContact CB-CD1 3.59Å; F45-Y92 HydrophobicContact CB-CE1 3.73Å; F45-Y92 AromaticContact CD1-CD1 3.68Å; F45-Y92 HydrophobicContact CD1-CD1 3.68Å; F45-Y92 HydrophobicContact CD1-CG 4.24Å; F45-Y92 AromaticContact CD2-CD1 3.67Å; F45-Y92 HydrophobicContact CD2-CD1 3.67Å; F45-Y92 AromaticContact CD2-CE1 4Å; F45-Y92 HydrophobicContact CD2-CE1 4Å; F45-Y92 HydrophobicContact CD2-CG 4.24Å; F45-Y92 HydrophobicContact CE1-CD1 4.29Å; F45-Y92 HydrophobicContact CE1-CG 4.41Å; F45-Y92 HydrophobicContact CE2-CD1 4.27Å; F45-Y92 HydrophobicContact CE2-CG 4.4Å; F45-Y92 AromaticContact CG-CD1 3.33Å; F45-Y92 HydrophobicContact CG-CD1 3.33Å; F45-Y92 AromaticContact CG-CE1 3.85Å; F45-Y92 HydrophobicContact CG-CE1 3.85Å; F45-Y92 HydrophobicContact CG-CG 4.16Å; F45-Y92 HydrophobicContact CZ-CG 4.49Å; F45-L190 HydrophobicContact CE2-CD1 4.02Å; F45-L190 HydrophobicContact CE2-CD2 4.22Å; F45-L190 HydrophobicContact CZ-CD1 4.38Å; F45-L190 HydrophobicContact CZ-CD2 3.74Å; F45-C192 HydrophobicContact CE1-CB 3.45Å; F45-C192 VanDerWaalsContact CE1-CB 3.45Å; F45-C192 HydrophobicContact CZ-CB 3.92Å |
| 46 | N | 93.7 | Very high | 94.2 | Very high | 107 Ų | 107 | 44.1 Ų | 44.1 | 57% | 0.572 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13 | 167.6 | -82.7 | -16.3 | 0 | 0 | 0 | 113.2 | R42 I43 I44 N89 | R42-N46 WeakPolarHBondContact O-CB 3.22Å; R42-N46 PolarHBondContact O-N 3.29Å; R42-N46 PolarHBondContact O-ND2 2.92Å; I43-N46 PolarHBondContact O-N 3.4Å; I44-N46 PolarHBondContact O-N 3.04Å; I44-N46 VanDerWaalsContact O-N 3.17Å; N46-N89 PolarHBondContact OD1-ND2 2.89Å |
| 47 | Q | 92.5 | Very high | 94.1 | Very high | 74 Ų | 74 | 44 Ų | 44 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -74.1 | 158.7 | 175.6 | -56.3 | 176.3 | 15.7 | 0 | 0 | 111.6 | I44 F45 H49 K91 | I44-Q47 VanDerWaalsContact O-CB 3.24Å; I44-Q47 WeakPolarHBondContact O-CB 3.48Å; I44-Q47 WeakPolarHBondContact O-CG 3.49Å; I44-Q47 PolarHBondContact O-N 3.15Å; F45-Q47 VanDerWaalsContact C-N 3.28Å; Q47-H49 PolarHBondContact OE1-O 2.9Å; Q47-K91 PolarHBondContact O-NZ 3.02Å |
| 48 | D | 88.6 | Confident | 94 | Very high | 119 Ų | 119 | 44 Ų | 44 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -76.3 | -30 | 176.4 | -67.4 | -26.3 | 0 | 0 | 0 | 112.6 | N18 | N18-D48 WeakPolarHBondContact CB-O 3.28Å; N18-D48 PolarHBondContact ND2-O 3.25Å; N18-D48 VanDerWaalsContact ND2-O 3.1Å |
| 49 | H | 91.3 | Very high | 94 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 51% | 0.505 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.7 | 179.1 | -58 | 80.1 | 0 | 0 | 0 | 108.2 | N18 Y20 Q47 | N18-H49 CarbonylContact O-C 3.56Å; N18-H49 VanDerWaalsContact O-CA 3.31Å; N18-H49 WeakPolarHBondContact O-CA 3.46Å; Y20-H49 HydrophobicContact CD1-CB 4.06Å; Y20-H49 HydrophobicContact CE1-CB 3.72Å; Q47-H49 PolarHBondContact OE1-O 2.9Å |
| 50 | I | 92.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.6 | -175.5 | -64.7 | 148.8 | 0 | 0 | 0 | 108.2 | I17 N18 L19 Y20 I44 F45 V55 | I17-I50 HydrophobicContact CG2-CD1 3.72Å; N18-I50 PolarHBondContact O-N 2.97Å; L19-I50 WeakPolarHBondContact CA-O 3.4Å; L19-I50 HydrophobicContact CD2-CB 3.77Å; L19-I50 HydrophobicContact CD2-CD1 4.28Å; L19-I50 HydrophobicContact CD2-CG2 3.91Å; Y20-I50 VanDerWaalsContact CD1-O 3.31Å; Y20-I50 WeakPolarHBondContact CD1-O 3.22Å; Y20-I50 PolarHBondContact N-O 2.84Å; I44-I50 HydrophobicContact CG2-CG1 4.36Å; I44-I50 HydrophobicContact CG2-CG2 3.71Å; I44-I50 WeakPolarHBondContact O-CG1 3.36Å; F45-I50 HydrophobicContact CB-CD1 4.48Å; F45-I50 HydrophobicContact CD1-CD1 3.61Å; F45-I50 HydrophobicContact CE1-CD1 4.02Å; F45-I50 HydrophobicContact CG-CD1 4.17Å; F45-I50 HydrophobicContact CZ-CG2 4.44Å; I50-V55 HydrophobicContact CG2-CG2 3.87Å |
| 51 | D | 93 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121 | 173.1 | -166.5 | -28.7 | 0 | 0 | 0 | 109.9 | Y20 Q21 S22 Y26 N53 E54 V55 | Y20-D51 HydrophobicContact CE1-CB 4.06Å; Y20-D51 HydrophobicContact CE2-CB 4.06Å; Y20-D51 WeakPolarHBondContact O-CA 3.32Å; Q21-D51 WeakPolarHBondContact CA-OD1 3.28Å; S22-D51 WeakPolarHBondContact CA-OD2 3.29Å; S22-D51 WeakPolarHBondContact CB-OD2 3.41Å; S22-D51 PolarHBondContact N-OD1 3.32Å; S22-D51 PolarHBondContact N-OD2 2.85Å; S22-D51 PolarHBondContact OG-OD2 3.09Å; Y26-D51 WeakPolarHBondContact OH-CB 3.07Å; Y26-D51 PolarHBondContact OH-OD2 3.33Å; D51-N53 PolarHBondContact O-N 2.91Å; D51-N53 WeakPolarHBondContact OD1-CB 3.49Å; D51-N53 PolarHBondContact OD1-N 3.08Å; D51-E54 HydrophobicContact CB-CB 4.15Å; D51-E54 VanDerWaalsContact O-CB 3.3Å; D51-E54 WeakPolarHBondContact O-CB 3.45Å; D51-E54 PolarHBondContact O-N 2.89Å; D51-V55 PolarHBondContact O-N 3.45Å |
| 52 | I | 92.2 | Very high | 93.7 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -23 | 179 | 65.6 | 164.2 | 0 | 0 | 0 | 112.7 | L19 Y20 Q21 V55 S56 F116 Y166 | L19-I52 HydrophobicContact CB-CG2 4.11Å; L19-I52 HydrophobicContact CD1-CG2 4.38Å; L19-I52 HydrophobicContact CD2-CG2 4.28Å; L19-I52 HydrophobicContact CG-CG2 4.49Å; Y20-I52 PolarHBondContact O-N 3.14Å; Q21-I52 HydrophobicContact CB-CG1 4.42Å; Q21-I52 HydrophobicContact CG-CD1 3.35Å; Q21-I52 HydrophobicContact CG-CG1 3.25Å; I52-V55 PolarHBondContact O-N 2.81Å; I52-S56 WeakPolarHBondContact O-CB 3.32Å; I52-S56 PolarHBondContact O-N 3.03Å; I52-F116 HydrophobicContact CB-CE1 4.29Å; I52-F116 HydrophobicContact CB-CZ 3.82Å; I52-F116 HydrophobicContact CG2-CZ 4.16Å; I52-Y166 HydrophobicContact CD1-CE2 3.96Å |
| 53 | N | 92.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 172.8 | -71.8 | -20.7 | 0 | 0 | 0 | 111.6 | S22 D51 T57 | S22-N53 PolarHBondContact O-ND2 2.94Å; D51-N53 PolarHBondContact O-N 2.91Å; D51-N53 WeakPolarHBondContact OD1-CB 3.49Å; D51-N53 PolarHBondContact OD1-N 3.08Å; N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 PolarHBondContact O-N 2.98Å; N53-T57 PolarHBondContact O-OG1 3.24Å |
| 54 | E | 94.5 | Very high | 93.4 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -49.7 | 171.4 | -169.4 | 173.5 | -167.9 | 0 | 0 | 110.4 | Y26 I44 D51 S56 T57 I58 | Y26-E54 HydrophobicContact CD1-CB 3.96Å; Y26-E54 HydrophobicContact CD1-CG 3.49Å; Y26-E54 VanDerWaalsContact CD1-CG 3.49Å; Y26-E54 HydrophobicContact CD2-CB 4.09Å; Y26-E54 HydrophobicContact CD2-CG 4.3Å; Y26-E54 HydrophobicContact CE1-CB 3.59Å; Y26-E54 VanDerWaalsContact CE1-CD 3.42Å; Y26-E54 HydrophobicContact CE1-CG 3.51Å; Y26-E54 HydrophobicContact CE2-CB 3.75Å; Y26-E54 HydrophobicContact CE2-CG 4.35Å; Y26-E54 HydrophobicContact CG-CB 4.2Å; Y26-E54 HydrophobicContact CG-CG 3.91Å; I44-E54 HydrophobicContact CD1-CG 3.8Å; I44-E54 HydrophobicContact CG1-CG 4.39Å; D51-E54 HydrophobicContact CB-CB 4.15Å; D51-E54 VanDerWaalsContact O-CB 3.3Å; D51-E54 WeakPolarHBondContact O-CB 3.45Å; D51-E54 PolarHBondContact O-N 2.89Å; E54-S56 PolarHBondContact O-N 2.92Å; E54-T57 PolarHBondContact O-N 3.16Å; E54-I58 HydrophobicContact CG-CD1 3.98Å; E54-I58 WeakPolarHBondContact O-CG1 3.43Å; E54-I58 PolarHBondContact O-N 2.93Å |
| 55 | V | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | I44 F45 I50 D51 I52 T57 I58 L59 F116 L190 | I44-V55 HydrophobicContact CG2-CG2 4.09Å; F45-V55 HydrophobicContact CE2-CG1 4.39Å; F45-V55 HydrophobicContact CE2-CG2 3.84Å; F45-V55 HydrophobicContact CZ-CG2 4.07Å; I50-V55 HydrophobicContact CG2-CG2 3.87Å; D51-V55 PolarHBondContact O-N 3.45Å; I52-V55 PolarHBondContact O-N 2.81Å; V55-T57 PolarHBondContact O-N 3.41Å; V55-I58 PolarHBondContact O-N 3.46Å; V55-L59 HydrophobicContact CG1-CD1 4.12Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 2.94Å; V55-F116 HydrophobicContact CB-CE1 4.27Å; V55-F116 HydrophobicContact CB-CE2 4.45Å; V55-F116 HydrophobicContact CB-CZ 4.05Å; V55-F116 HydrophobicContact CG1-CD1 4.35Å; V55-F116 HydrophobicContact CG1-CD2 4.05Å; V55-F116 HydrophobicContact CG1-CE1 4.17Å; V55-F116 HydrophobicContact CG1-CE2 3.88Å; V55-F116 HydrophobicContact CG1-CG 4.29Å; V55-F116 HydrophobicContact CG1-CZ 3.93Å; V55-L190 HydrophobicContact CG1-CD1 4.14Å; V55-L190 HydrophobicContact CG1-CD2 4.31Å |
| 56 | S | 94.6 | Very high | 93.5 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | I52 E54 I58 L59 K60 | I52-S56 WeakPolarHBondContact O-CB 3.32Å; I52-S56 PolarHBondContact O-N 3.03Å; E54-S56 PolarHBondContact O-N 2.92Å; S56-I58 PolarHBondContact O-N 3.46Å; S56-L59 PolarHBondContact O-N 3.48Å; S56-K60 VanDerWaalsContact O-CB 3.27Å; S56-K60 WeakPolarHBondContact O-CB 3.34Å; S56-K60 PolarHBondContact O-N 3.3Å |
| 57 | T | 94.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 27% | 0.27 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.5 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | L28 N53 E54 V55 K60 E61 | L28-T57 HydrophobicContact CD1-CG2 3.92Å; L28-T57 HydrophobicContact CG-CG2 4.42Å; N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 PolarHBondContact O-N 2.98Å; N53-T57 PolarHBondContact O-OG1 3.24Å; E54-T57 PolarHBondContact O-N 3.16Å; V55-T57 PolarHBondContact O-N 3.41Å; T57-K60 PolarHBondContact O-N 2.78Å; T57-E61 HydrophobicContact CG2-CG 4.2Å; T57-E61 WeakPolarHBondContact O-CG 3.37Å; T57-E61 PolarHBondContact O-N 2.64Å |
| 58 | I | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 179 | -77.9 | 160.8 | 0 | 0 | 0 | 112.3 | L28 I31 L37 T40 I41 I44 E54 V55 S56 K60 F62 | L28-I58 HydrophobicContact CD1-CB 4.46Å; L28-I58 HydrophobicContact CD1-CG1 3.72Å; L28-I58 HydrophobicContact CD2-CD1 3.88Å; L28-I58 HydrophobicContact CD2-CG1 3.37Å; L28-I58 HydrophobicContact CG-CG1 4.15Å; I31-I58 HydrophobicContact CD1-CB 4.47Å; I31-I58 HydrophobicContact CD1-CG1 4.3Å; I31-I58 HydrophobicContact CD1-CG2 3.68Å; L37-I58 HydrophobicContact CD1-CG2 3.5Å; L37-I58 VanDerWaalsContact CD1-CG2 3.5Å; T40-I58 HydrophobicContact CG2-CD1 3.73Å; T40-I58 HydrophobicContact CG2-CG1 4.39Å; T40-I58 HydrophobicContact CG2-CG2 4.49Å; I41-I58 HydrophobicContact CG1-CG2 4.46Å; I44-I58 HydrophobicContact CD1-CD1 3Å; I44-I58 HydrophobicContact CD1-CG1 4.47Å; I44-I58 HydrophobicContact CG1-CD1 4.4Å; E54-I58 HydrophobicContact CG-CD1 3.98Å; E54-I58 WeakPolarHBondContact O-CG1 3.43Å; E54-I58 PolarHBondContact O-N 2.93Å; V55-I58 PolarHBondContact O-N 3.46Å; S56-I58 PolarHBondContact O-N 3.46Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.07Å; I58-F62 WeakPolarHBondContact O-CB 3.45Å; I58-F62 PolarHBondContact O-N 3.16Å |
| 59 | L | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176 | -68.1 | 173.6 | 0 | 0 | 0 | 110.4 | L37 I41 V55 S56 F116 K118 V164 L188 L190 | L37-L59 HydrophobicContact CD1-CD2 4.47Å; I41-L59 HydrophobicContact CD1-CD2 4.24Å; V55-L59 HydrophobicContact CG1-CD1 4.12Å; V55-L59 WeakPolarHBondContact O-CG 3.47Å; V55-L59 PolarHBondContact O-N 2.94Å; S56-L59 PolarHBondContact O-N 3.48Å; L59-F116 HydrophobicContact CD1-CB 3.45Å; L59-F116 VanDerWaalsContact CD1-CB 3.45Å; L59-F116 HydrophobicContact CD1-CD1 4.4Å; L59-F116 HydrophobicContact CD1-CG 3.97Å; L59-K118 WeakPolarHBondContact O-CD 3.5Å; L59-K118 VanDerWaalsContact O-CE 3.31Å; L59-K118 WeakPolarHBondContact O-CE 3.3Å; L59-K118 PolarHBondContact O-NZ 2.86Å; L59-V164 HydrophobicContact CB-CG1 4.42Å; L59-V164 HydrophobicContact CB-CG2 3.89Å; L59-L188 HydrophobicContact CD2-CD2 3.88Å; L59-L190 HydrophobicContact CD1-CB 4.3Å |
| 60 | K | 94.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -51.1 | -179.4 | -174.3 | 179.9 | 177 | -177 | 0 | 112.4 | S56 T57 I58 F62 K118 V164 | S56-K60 VanDerWaalsContact O-CB 3.27Å; S56-K60 WeakPolarHBondContact O-CB 3.34Å; S56-K60 PolarHBondContact O-N 3.3Å; T57-K60 PolarHBondContact O-N 2.78Å; I58-K60 VanDerWaalsContact C-N 3.26Å; I58-K60 PolarHBondContact O-N 3.07Å; K60-F62 VanDerWaalsContact C-N 3.28Å; K60-F62 PolarHBondContact O-N 3.1Å; K60-K118 PolarHBondContact O-NZ 2.9Å; K60-V164 HydrophobicContact CB-CG2 3.9Å |
| 61 | E | 93 | Very high | 94.9 | Very high | 123 Ų | 123 | 58.3 Ų | 58.3 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -75.4 | -16.8 | -177.2 | -61.7 | -60.1 | 134.6 | 0 | 0 | 113.2 | L28 T57 E63 | L28-E61 HydrophobicContact CD1-CB 3.84Å; L28-E61 HydrophobicContact CD1-CG 3.88Å; T57-E61 HydrophobicContact CG2-CG 4.2Å; T57-E61 WeakPolarHBondContact O-CG 3.37Å; T57-E61 PolarHBondContact O-N 2.64Å; E61-E63 PolarHBondContact O-N 2.88Å |
| 62 | F | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | trans | -67.5 | 124 | 178.4 | 170.3 | -113.8 | 0 | 0 | 0 | 112.5 | I31 T33 L34 L37 I58 K60 C64 W69 K118 | I31-F62 HydrophobicContact CB-CD2 4.19Å; I31-F62 HydrophobicContact CG2-CD2 3.4Å; I31-F62 VanDerWaalsContact CG2-CD2 3.4Å; I31-F62 HydrophobicContact CG2-CE2 3.94Å; I31-F62 HydrophobicContact CG2-CG 4.34Å; T33-F62 WeakPolarHBondContact O-CE2 3.12Å; L34-F62 HydrophobicContact CB-CZ 4.41Å; L34-F62 HydrophobicContact CD1-CZ 4.28Å; L37-F62 HydrophobicContact CB-CD2 3.92Å; L37-F62 HydrophobicContact CB-CE1 4.4Å; L37-F62 HydrophobicContact CB-CE2 3.82Å; L37-F62 HydrophobicContact CB-CG 4.24Å; L37-F62 HydrophobicContact CB-CZ 4.06Å; L37-F62 HydrophobicContact CD1-CB 3.97Å; L37-F62 HydrophobicContact CD1-CD1 4.29Å; L37-F62 HydrophobicContact CD1-CD2 4.31Å; L37-F62 HydrophobicContact CD1-CG 3.92Å; L37-F62 HydrophobicContact CD2-CD1 3.59Å; L37-F62 HydrophobicContact CD2-CD2 4.48Å; L37-F62 HydrophobicContact CD2-CE1 3.6Å; L37-F62 HydrophobicContact CD2-CG 4.02Å; L37-F62 HydrophobicContact CD2-CZ 4.07Å; L37-F62 HydrophobicContact CG-CD1 4.33Å; L37-F62 HydrophobicContact CG-CD2 4.45Å; L37-F62 HydrophobicContact CG-CE1 4.49Å; L37-F62 HydrophobicContact CG-CG 4.26Å; I58-F62 WeakPolarHBondContact O-CB 3.45Å; I58-F62 PolarHBondContact O-N 3.16Å; K60-F62 VanDerWaalsContact C-N 3.28Å; K60-F62 PolarHBondContact O-N 3.1Å; F62-C64 HydrophobicContact CE2-CB 3.79Å; F62-C64 HydrophobicContact CZ-CB 3.69Å; F62-C64 WeakPolarHBondContact CZ-SG 3.22Å; F62-W69 AromaticContact CE1-CH2 3.62Å; F62-W69 HydrophobicContact CE1-CH2 3.62Å; F62-W69 AromaticContact CE1-CZ2 3.54Å; F62-W69 HydrophobicContact CE1-CZ2 3.54Å; F62-W69 HydrophobicContact CZ-CH2 4.27Å; F62-W69 HydrophobicContact CZ-CZ2 4.11Å; F62-K118 WeakPolarHBondContact O-CE 3.06Å; F62-K118 PolarHBondContact O-NZ 2.85Å; F62-K118 VanDerWaalsContact O-NZ 3.09Å | ||
| 63 | E | 92.6 | Very high | 95.4 | Very high | 150 Ų | 150 | 60.5 Ų | 60.5 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | trans | -135.5 | 143.8 | 167.7 | -64.4 | -173.2 | 170.7 | 0 | 0 | 109.2 | E61 | E61-E63 PolarHBondContact O-N 2.88Š| ||
| 64 | C | 91.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -144 | 168 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 110.2 | N32 F62 F66 E68 | N32-C64 WeakPolarHBondContact O-CB 3.17Å; F62-C64 HydrophobicContact CE2-CB 3.79Å; F62-C64 HydrophobicContact CZ-CB 3.69Å; F62-C64 WeakPolarHBondContact CZ-SG 3.22Å; C64-F66 PolarHBondContact O-N 3.44Å; C64-E68 HydrophobicContact CB-CG 4.22Å | ||
| 65 | D | 95.3 | Very high | 95.9 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | trans | -59.8 | 136.4 | 171.3 | -174.8 | -87.8 | 0 | 0 | 0 | 110.6 | S67 E68 | D65-S67 PolarHBondContact O-N 3.32Å; D65-S67 VanDerWaalsContact O-N 3.07Å; D65-S67 WeakPolarHBondContact OD1-CA 3.35Å; D65-S67 WeakPolarHBondContact OD1-CB 3.07Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3Å; D65-E68 VanDerWaalsContact O-CB 3.27Å; D65-E68 WeakPolarHBondContact O-CB 3.43Å; D65-E68 WeakPolarHBondContact O-CG 3.49Å; D65-E68 PolarHBondContact O-N 3.17Å | ||
| 66 | F | 95.9 | Very high | 96 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -61.5 | -24.1 | -174.8 | -171.5 | -95.9 | 0 | 0 | 0 | 113.1 | C64 E68 W69 L73 I120 K121 I186 | C64-F66 PolarHBondContact O-N 3.44Å; F66-E68 PolarHBondContact O-N 3.32Å; F66-W69 AromaticContact CD2-CD1 3.79Å; F66-W69 PolarHBondContact O-N 2.9Å; F66-W69 VanDerWaalsContact O-N 3.16Å; F66-L73 HydrophobicContact CE1-CD1 3.93Å; F66-L73 HydrophobicContact CZ-CD1 4.02Å; F66-I120 HydrophobicContact CE2-CG2 4.36Å; F66-K121 HydrophobicContact CE2-CB 4.29Å; F66-K121 HydrophobicContact CE2-CD 4.19Å; F66-K121 HydrophobicContact CZ-CD 4.12Å; F66-I186 HydrophobicContact CE2-CD1 3.83Å; F66-I186 HydrophobicContact CZ-CD1 3.53Å |
| 67 | S | 97 | Very high | 96 | Very high | 77 Ų | 77 | 72.7 Ų | 72.7 | 54% | 0.538 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.1 | 176.8 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | D65 W69 K70 | D65-S67 PolarHBondContact O-N 3.32Å; D65-S67 VanDerWaalsContact O-N 3.07Å; D65-S67 WeakPolarHBondContact OD1-CA 3.35Å; D65-S67 WeakPolarHBondContact OD1-CB 3.07Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3Å; S67-W69 PolarHBondContact O-N 3.47Å; S67-K70 WeakPolarHBondContact O-CB 3.3Å; S67-K70 PolarHBondContact O-N 2.84Å; S67-K70 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 97.1 | Very high | 96 | Very high | 70 Ų | 70 | 76.6 Ų | 76.6 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -59.4 | -30.6 | 174.6 | -69.7 | -79.1 | 173.6 | 0 | 0 | 112.1 | L34 C64 D65 F66 | L34-E68 HydrophobicContact CB-CB 4.17Å; C64-E68 HydrophobicContact CB-CG 4.22Å; D65-E68 VanDerWaalsContact O-CB 3.27Å; D65-E68 WeakPolarHBondContact O-CB 3.43Å; D65-E68 WeakPolarHBondContact O-CG 3.49Å; D65-E68 PolarHBondContact O-N 3.17Å; F66-E68 PolarHBondContact O-N 3.32Å |
| 69 | W | 97.4 | Very high | 96 | Very high | 7 Ų | 7 | 80.8 Ų | 80.8 | 3% | 0.027 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -78.1 | -20.4 | 179.6 | -55.4 | 113.1 | 0 | 0 | 0 | 113.4 | L34 F62 F66 S67 K71 Y72 L73 I85 L96 I120 L188 | L34-W69 HydrophobicContact CD1-CE3 4.46Å; L34-W69 HydrophobicContact CD1-CH2 3.71Å; L34-W69 HydrophobicContact CD1-CZ3 3.58Å; L34-W69 HydrophobicContact CD2-CE3 3.95Å; L34-W69 HydrophobicContact CD2-CZ3 3.84Å; L34-W69 HydrophobicContact CG-CZ3 4.32Å; F62-W69 AromaticContact CE1-CH2 3.62Å; F62-W69 HydrophobicContact CE1-CH2 3.62Å; F62-W69 AromaticContact CE1-CZ2 3.54Å; F62-W69 HydrophobicContact CE1-CZ2 3.54Å; F62-W69 HydrophobicContact CZ-CH2 4.27Å; F62-W69 HydrophobicContact CZ-CZ2 4.11Å; F66-W69 AromaticContact CD2-CD1 3.79Å; F66-W69 PolarHBondContact O-N 2.9Å; F66-W69 VanDerWaalsContact O-N 3.16Å; S67-W69 PolarHBondContact O-N 3.47Å; W69-K71 VanDerWaalsContact C-N 3.26Å; W69-K71 PolarHBondContact O-N 2.89Å; W69-Y72 PolarHBondContact O-N 2.84Å; W69-L73 HydrophobicContact CB-CD1 4.49Å; W69-L73 HydrophobicContact CB-CD2 4.24Å; W69-L73 HydrophobicContact CB-CG 4.29Å; W69-L73 WeakPolarHBondContact O-CG 3.29Å; W69-L73 PolarHBondContact O-N 2.83Å; W69-I85 HydrophobicContact CE3-CD1 4.45Å; W69-I85 HydrophobicContact CZ3-CD1 3.88Å; W69-L96 HydrophobicContact CB-CD2 4.32Å; W69-L96 HydrophobicContact CD2-CD1 4.4Å; W69-L96 HydrophobicContact CE3-CD1 3.71Å; W69-L96 HydrophobicContact CE3-CD2 4.06Å; W69-L96 HydrophobicContact CZ3-CD1 3.83Å; W69-I120 HydrophobicContact CH2-CD1 4.18Å; W69-I120 HydrophobicContact CZ2-CD1 3.77Å; W69-I120 HydrophobicContact CZ2-CG1 4.39Å; W69-L188 HydrophobicContact CH2-CD1 4.14Å; W69-L188 HydrophobicContact CH2-CD2 4.17Å; W69-L188 HydrophobicContact CZ3-CD1 4.01Å |
| 70 | K | 97.5 | Very high | 96.1 | Very high | 164 Ų | 164 | 83.3 Ų | 83.3 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -50.8 | -41 | -163.4 | -175 | 176.7 | 179.8 | 178.2 | 0 | 113.8 | S67 Y72 L73 | S67-K70 WeakPolarHBondContact O-CB 3.3Å; S67-K70 PolarHBondContact O-N 2.84Å; S67-K70 VanDerWaalsContact O-N 3.09Å; K70-Y72 PolarHBondContact O-N 3.43Å; K70-L73 PolarHBondContact O-N 3.19Å |
| 71 | K | 97.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 77.8 Ų | 77.8 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -70.8 | -13.7 | -179.7 | 64.3 | 175.7 | 168.5 | 166.5 | 0 | 114.4 | W69 F74 G220 | W69-K71 VanDerWaalsContact C-N 3.26Å; W69-K71 PolarHBondContact O-N 2.89Å; K71-F74 WeakPolarHBondContact O-CE2 3.38Å; K71-G220 WeakPolarHBondContact O-CA 3.35Å |
| 72 | Y | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -106 | -3.8 | -179.9 | -54.6 | -74.8 | 0 | 0 | 0 | 113.3 | L34 W69 K70 F74 N83 I85 | L34-Y72 HydrophobicContact CD2-CD2 4.08Å; L34-Y72 HydrophobicContact CD2-CE2 3.52Å; W69-Y72 PolarHBondContact O-N 2.84Å; K70-Y72 PolarHBondContact O-N 3.43Å; Y72-F74 VanDerWaalsContact C-N 3.31Å; Y72-F74 PolarHBondContact O-N 2.76Å; Y72-N83 WeakPolarHBondContact O-CB 3.43Å; Y72-I85 HydrophobicContact CD1-CG1 3.83Å; Y72-I85 HydrophobicContact CD2-CG1 4.18Å; Y72-I85 HydrophobicContact CE1-CB 4.18Å; Y72-I85 HydrophobicContact CE1-CG1 3.91Å; Y72-I85 HydrophobicContact CE1-CG2 4.28Å; Y72-I85 HydrophobicContact CE2-CG1 4.25Å; Y72-I85 HydrophobicContact CE2-CG2 4.31Å; Y72-I85 HydrophobicContact CG-CG1 3.97Å |
| 73 | L | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | trans | -80.7 | 69.8 | -176.2 | -63.5 | -178.8 | 0 | 0 | 0 | 112.6 | F66 W69 K70 F75 L96 I186 | F66-L73 HydrophobicContact CE1-CD1 3.93Å; F66-L73 HydrophobicContact CZ-CD1 4.02Å; W69-L73 HydrophobicContact CB-CD1 4.49Å; W69-L73 HydrophobicContact CB-CD2 4.24Å; W69-L73 HydrophobicContact CB-CG 4.29Å; W69-L73 WeakPolarHBondContact O-CG 3.29Å; W69-L73 PolarHBondContact O-N 2.83Å; K70-L73 PolarHBondContact O-N 3.19Å; L73-F75 HydrophobicContact CB-CE2 4.28Å; L73-F75 HydrophobicContact CD2-CE2 4.46Å; L73-L96 HydrophobicContact CD2-CD2 3.66Å; L73-I186 HydrophobicContact CD1-CD1 4.45Å; L73-I186 HydrophobicContact CD2-CD1 3.45Å; L73-I186 VanDerWaalsContact CD2-CD1 3.45Å; L73-I186 HydrophobicContact CD2-CG1 3.98Å; L73-I186 HydrophobicContact CD2-CG2 4.24Å | ||
| 74 | F | 98.3 | Very high | 97.1 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 23% | 0.228 | 32% | 0.318 | C | S | . | . | trans | -96.2 | 93.5 | 174.8 | -62.5 | -89.6 | 0 | 0 | 0 | 110.6 | K71 Y72 T81 N83 S217 C222 | K71-F74 WeakPolarHBondContact O-CE2 3.38Å; Y72-F74 VanDerWaalsContact C-N 3.31Å; Y72-F74 PolarHBondContact O-N 2.76Å; F74-T81 WeakPolarHBondContact O-CB 3.48Å; F74-T81 VanDerWaalsContact O-CG2 3.24Å; F74-T81 WeakPolarHBondContact O-CG2 3.36Å; F74-T81 PolarHBondContact O-OG1 2.79Å; F74-N83 WeakPolarHBondContact CB-OD1 3.14Å; F74-N83 WeakPolarHBondContact CD2-OD1 3.43Å; F74-S217 WeakPolarHBondContact CD2-OG 3.23Å; F74-S217 WeakPolarHBondContact CE2-OG 3.49Å; F74-C222 HydrophobicContact CD1-CB 4.32Å; F74-C222 HydrophobicContact CE1-CB 4.03Å | ||
| 75 | F | 98 | Very high | 97.4 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | trans | -79.4 | 151.7 | 172 | -70.4 | -88.1 | 0 | 0 | 0 | 111.5 | L73 C98 W99 T184 I186 | L73-F75 HydrophobicContact CB-CE2 4.28Å; L73-F75 HydrophobicContact CD2-CE2 4.46Å; F75-C98 HydrophobicContact CD1-CB 3.68Å; F75-C98 HydrophobicContact CD2-CB 4.32Å; F75-C98 HydrophobicContact CE1-CB 3.6Å; F75-C98 HydrophobicContact CE2-CB 4.26Å; F75-C98 HydrophobicContact CG-CB 4.05Å; F75-C98 HydrophobicContact CZ-CB 3.91Å; F75-W99 WeakPolarHBondContact CE1-O 3.49Å; F75-T184 HydrophobicContact CD1-CG2 4.08Å; F75-T184 HydrophobicContact CE1-CG2 3.83Å; F75-T184 HydrophobicContact CZ-CG2 4.31Å; F75-I186 HydrophobicContact CZ-CD1 4.2Å; F75-I186 HydrophobicContact CZ-CG1 3.79Å | ||
| 76 | N | 97.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | trans | -130.8 | 147.2 | 172.3 | -176.9 | -72.5 | 0 | 0 | 0 | 109.9 | T78 K79 T81 S100 Q103 | N76-T78 PolarHBondContact OD1-N 2.81Å; N76-T78 PolarHBondContact OD1-OG1 3.2Å; N76-K79 HydrophobicContact CB-CG 4.37Å; N76-K79 WeakPolarHBondContact CB-O 3.34Å; N76-K79 PolarHBondContact OD1-N 2.85Å; N76-T81 HydrophobicContact CB-CG2 3.55Å; N76-S100 PolarHBondContact O-OG 2.97Å; N76-Q103 PolarHBondContact O-NE2 3.1Å | ||
| 77 | K | 94.6 | Very high | 97.5 | Very high | 199 Ų | 199 | 60.9 Ų | 60.9 | 87% | 0.865 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -70.6 | -33 | -175.1 | -65.6 | -174.1 | 179.1 | -177.1 | 0 | 113.2 | Q103 | K77-Q103 PolarHBondContact O-NE2 2.91Š|
| 78 | T | 94.8 | Very high | 97.3 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 77% | 0.773 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -108.9 | -14.3 | -168.7 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | N76 | N76-T78 PolarHBondContact OD1-N 2.81Å; N76-T78 PolarHBondContact OD1-OG1 3.2Å |
| 79 | K | 96.3 | Very high | 97 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -150.3 | 155.6 | -179.6 | 59.8 | -176.7 | 179.1 | -176.4 | 0 | 111.2 | N76 Q103 | N76-K79 HydrophobicContact CB-CG 4.37Å; N76-K79 WeakPolarHBondContact CB-O 3.34Å; N76-K79 PolarHBondContact OD1-N 2.85Å; K79-Q103 VanDerWaalsContact N-NE2 3.19Å; K79-Q103 PolarHBondContact O-NE2 3.16Å; K79-Q103 VanDerWaalsContact O-NE2 3.15Å; K79-Q103 PolarHBondContact O-OE1 3.2Å |
| 80 | Y | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 59.3 Ų | 59.3 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | trans | -67.1 | 156.4 | 164.8 | 73.3 | -84.9 | 0 | 0 | 0 | 109.4 | R82 L97 C98 W99 T105 | Y80-R82 HydrophobicContact CD2-CG 4.46Å; Y80-R82 HydrophobicContact CE2-CG 3.98Å; Y80-R82 PolarHBondContact OH-NH2 2.81Å; Y80-L97 HydrophobicContact CD2-CD2 3.92Å; Y80-L97 HydrophobicContact CD2-CG 4.36Å; Y80-L97 HydrophobicContact CE2-CD2 3.88Å; Y80-C98 VanDerWaalsContact CA-O 3.31Å; Y80-C98 WeakPolarHBondContact CA-O 3.44Å; Y80-C98 WeakPolarHBondContact CB-O 3.39Å; Y80-W99 VanDerWaalsContact CB-CE3 3.44Å; Y80-W99 HydrophobicContact CD1-CE3 4.32Å; Y80-W99 AromaticContact CD1-CZ3 3.91Å; Y80-W99 HydrophobicContact CD1-CZ3 3.91Å; Y80-W99 HydrophobicContact CD2-CE3 4.27Å; Y80-W99 HydrophobicContact CD2-CH2 4.06Å; Y80-W99 AromaticContact CD2-CZ3 3.85Å; Y80-W99 HydrophobicContact CD2-CZ3 3.85Å; Y80-W99 HydrophobicContact CE1-CZ3 4.49Å; Y80-W99 HydrophobicContact CE2-CH2 4.4Å; Y80-W99 HydrophobicContact CE2-CZ3 4.41Å; Y80-W99 AromaticContact CG-CE3 3.77Å; Y80-W99 HydrophobicContact CG-CE3 3.77Å; Y80-W99 HydrophobicContact CG-CH2 4.27Å; Y80-W99 AromaticContact CG-CZ3 3.58Å; Y80-W99 HydrophobicContact CG-CZ3 3.58Å; Y80-T105 HydrophobicContact CE1-CG2 3.95Å; Y80-T105 HydrophobicContact CE2-CG2 4.42Å | ||
| 81 | T | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.9 | -178.7 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | F74 N76 N83 L97 C98 H216 | F74-T81 WeakPolarHBondContact O-CB 3.48Å; F74-T81 VanDerWaalsContact O-CG2 3.24Å; F74-T81 WeakPolarHBondContact O-CG2 3.36Å; F74-T81 PolarHBondContact O-OG1 2.79Å; N76-T81 HydrophobicContact CB-CG2 3.55Å; T81-N83 PolarHBondContact OG1-ND2 3.23Å; T81-L97 VanDerWaalsContact O-CA 3.23Å; T81-L97 WeakPolarHBondContact O-CA 3.14Å; T81-L97 WeakPolarHBondContact O-CG 3.35Å; T81-C98 PolarHBondContact N-O 3.05Å; T81-C98 PolarHBondContact O-N 2.77Å; T81-C98 WeakPolarHBondContact OG1-CB 3.5Å; T81-H216 HydrophobicContact CG2-CB 4.25Å |
| 82 | R | 98.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 6% | 0.06 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.2 | 175 | -61.6 | 178.3 | 178.7 | -90.6 | -0.8 | 108.8 | Y80 L95 L97 Y191 I215 H216 | Y80-R82 HydrophobicContact CD2-CG 4.46Å; Y80-R82 HydrophobicContact CE2-CG 3.98Å; Y80-R82 PolarHBondContact OH-NH2 2.81Å; R82-L95 HydrophobicContact CB-CD2 3.98Å; R82-L97 HydrophobicContact CB-CD1 4.24Å; R82-L97 HydrophobicContact CG-CD1 3.97Å; R82-L97 HydrophobicContact CG-CD2 4.15Å; R82-L97 HydrophobicContact CG-CG 3.92Å; R82-Y191 PolarHBondContact NH1-OH 2.8Å; R82-I215 HydrophobicContact CB-CD1 4.25Å; R82-H216 PolarHBondContact O-N 3.4Å |
| 83 | N | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 104.6 | -171.6 | -53.6 | -73.6 | 0 | 0 | 0 | 109.1 | Y72 F74 T81 I85 L95 L96 S217 | Y72-N83 WeakPolarHBondContact O-CB 3.43Å; F74-N83 WeakPolarHBondContact CB-OD1 3.14Å; F74-N83 WeakPolarHBondContact CD2-OD1 3.43Å; T81-N83 PolarHBondContact OG1-ND2 3.23Å; N83-I85 PolarHBondContact O-N 2.69Å; N83-L95 CarbonylContact O-C 3.46Å; N83-L95 VanDerWaalsContact O-CA 3.32Å; N83-L95 WeakPolarHBondContact O-CA 3.47Å; N83-L96 HydrophobicContact CB-CB 4.32Å; N83-L96 VanDerWaalsContact CB-O 3.25Å; N83-L96 WeakPolarHBondContact CB-O 3.25Å; N83-L96 PolarHBondContact N-O 2.87Å; N83-L96 PolarHBondContact ND2-O 3.43Å; N83-L96 PolarHBondContact O-N 3.15Å; N83-S217 WeakPolarHBondContact CA-OG 3.49Å; N83-S217 WeakPolarHBondContact CB-OG 3.28Å; N83-S217 VanDerWaalsContact CG-OG 3.28Å; N83-S217 PolarHBondContact OD1-OG 3.31Å |
| 84 | L | 98.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 119.2 | -175.8 | -175.4 | 68.6 | 0 | 0 | 0 | 110.1 | E87 N93 L95 I215 S217 K218 Y219 | L84-E87 HydrophobicContact CD2-CB 4.31Å; L84-N93 HydrophobicContact CD1-CB 4.15Å; L84-L95 HydrophobicContact CD1-CG 4.13Å; L84-I215 HydrophobicContact CB-CG2 4.05Å; L84-S217 PolarHBondContact N-O 3.2Å; L84-K218 HydrophobicContact CB-CB 4.47Å; L84-K218 HydrophobicContact CB-CG 4.02Å; L84-K218 HydrophobicContact CD2-CD 3.97Å; L84-K218 HydrophobicContact CD2-CG 3.92Å; L84-Y219 HydrophobicContact CD2-CE1 4.32Å; L84-Y219 HydrophobicContact CG-CE1 4.4Å; L84-Y219 PolarHBondContact O-N 3.35Å |
| 85 | I | 98.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -48.9 | 175.2 | -65.1 | 170.5 | 0 | 0 | 0 | 109.6 | L34 I38 W69 Y72 N83 L94 L96 L188 Y219 | L34-I85 HydrophobicContact CD1-CG2 4.5Å; L34-I85 HydrophobicContact CD2-CG2 4.35Å; I38-I85 HydrophobicContact CD1-CG2 3.69Å; I38-I85 HydrophobicContact CG1-CG2 4.28Å; W69-I85 HydrophobicContact CE3-CD1 4.45Å; W69-I85 HydrophobicContact CZ3-CD1 3.88Å; Y72-I85 HydrophobicContact CD1-CG1 3.83Å; Y72-I85 HydrophobicContact CD2-CG1 4.18Å; Y72-I85 HydrophobicContact CE1-CB 4.18Å; Y72-I85 HydrophobicContact CE1-CG1 3.91Å; Y72-I85 HydrophobicContact CE1-CG2 4.28Å; Y72-I85 HydrophobicContact CE2-CG1 4.25Å; Y72-I85 HydrophobicContact CE2-CG2 4.31Å; Y72-I85 HydrophobicContact CG-CG1 3.97Å; N83-I85 PolarHBondContact O-N 2.69Å; I85-L94 HydrophobicContact CB-CD2 4.36Å; I85-L94 HydrophobicContact CB-CG 4.41Å; I85-L94 WeakPolarHBondContact CB-O 3.22Å; I85-L94 HydrophobicContact CG2-CD2 4.1Å; I85-L94 PolarHBondContact N-O 3.18Å; I85-L96 HydrophobicContact CD1-CB 3.94Å; I85-L96 HydrophobicContact CD1-CD1 4.49Å; I85-L96 HydrophobicContact CG1-CB 4.33Å; I85-L188 HydrophobicContact CD1-CD1 3.57Å; I85-Y219 WeakPolarHBondContact O-CD1 3.38Å |
| 86 | D | 98.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 128.8 | -173.3 | -171 | 70.9 | 0 | 0 | 0 | 109.9 | I38 R42 G88 Y92 L94 | I38-D86 HydrophobicContact CG1-CB 4.39Å; I38-D86 HydrophobicContact CG2-CB 4.19Å; R42-D86 IonicContact CZ-OD1 3.55Å; R42-D86 IonicContact CZ-OD2 3.84Å; R42-D86 IonicContact NE-OD1 3.19Å; R42-D86 PolarHBondContact NE-OD1 3Å; R42-D86 IonicContact NE-OD2 3.43Å; R42-D86 PolarHBondContact NE-OD2 2.89Å; R42-D86 VanDerWaalsContact NH2-CG 3.33Å; R42-D86 IonicContact NH2-OD1 3.3Å; R42-D86 PolarHBondContact NH2-OD1 2.8Å; R42-D86 IonicContact NH2-OD2 3.94Å; R42-D86 PolarHBondContact NH2-OD2 3.47Å; D86-G88 PolarHBondContact O-N 3.35Å; D86-G88 VanDerWaalsContact OD2-CA 3.28Å; D86-G88 WeakPolarHBondContact OD2-CA 3.47Å; D86-G88 PolarHBondContact OD2-N 3.18Å; D86-Y92 WeakPolarHBondContact OD2-CE2 3.42Å; D86-Y92 VanDerWaalsContact OD2-CZ 3.27Å; D86-Y92 PolarHBondContact OD2-OH 2.86Å; D86-L94 HydrophobicContact CB-CB 4.13Å; D86-L94 HydrophobicContact CB-CD2 4.5Å; D86-L94 PolarHBondContact N-O 3.13Å; D86-L94 PolarHBondContact O-N 3.37Å |
| 87 | E | 95.7 | Very high | 96.6 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 49% | 0.486 | 20% | 0.203 | S | C | . | . | trans | -86 | 8.3 | 176.8 | 69.4 | -167.7 | 133.4 | 0 | 0 | 113.5 | L84 Y92 N93 Y219 | L84-E87 HydrophobicContact CD2-CB 4.31Å; E87-Y92 CarbonylContact C-O 3.59Å; E87-N93 WeakPolarHBondContact CA-OD1 3.4Å; E87-Y219 WeakPolarHBondContact CB-OH 3.47Å; E87-Y219 VanDerWaalsContact CG-OH 3.31Å; E87-Y219 WeakPolarHBondContact CG-OH 3.5Å; E87-Y219 PolarHBondContact OE1-OH 2.73Å; E87-Y219 PolarHBondContact OE2-OH 3.37Å | ||
| 88 | G | 92.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 29 Ų | 29 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -140.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R42 D86 Y92 | R42-G88 VanDerWaalsContact CZ-O 3.26Å; R42-G88 PolarHBondContact NH1-O 3.46Å; R42-G88 PolarHBondContact NH2-O 2.91Å; D86-G88 PolarHBondContact O-N 3.35Å; D86-G88 VanDerWaalsContact OD2-CA 3.28Å; D86-G88 WeakPolarHBondContact OD2-CA 3.47Å; D86-G88 PolarHBondContact OD2-N 3.18Å; G88-Y92 WeakPolarHBondContact CA-OH 3.23Å; G88-Y92 PolarHBondContact N-O 2.87Å |
| 89 | N | 90.1 | Very high | 97 | Very high | 55 Ų | 55 | 23 Ų | 23 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 30.4 | 178.1 | 59 | -1.5 | 0 | 0 | 0 | 110.5 | F45 N46 K91 | F45-N89 VanDerWaalsContact C-ND2 3.33Å; F45-N89 PolarHBondContact O-ND2 3.38Å; N46-N89 PolarHBondContact OD1-ND2 2.89Å; N89-K91 VanDerWaalsContact C-N 3.26Å; N89-K91 PolarHBondContact O-N 2.82Å; N89-K91 VanDerWaalsContact OD1-CB 3.23Å; N89-K91 WeakPolarHBondContact OD1-CB 3.32Å; N89-K91 PolarHBondContact OD1-N 3.26Å |
| 90 | G | 91.6 | Very high | 97.1 | Very high | 60 Ų | 60 | 19.4 Ų | 19.4 | 62% | 0.619 | 11% | 0.11 | S | C | * | . | S | Bend | trans | 82.6 | -7.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P194 | G90-P194 WeakPolarHBondContact O-CD 3.18Š|
| 91 | K | 94.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 20.7 Ų | 20.7 | 17% | 0.174 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -97.7 | -14.3 | -179.7 | -62.8 | 173.5 | 167.3 | -178.6 | 0 | 115 | I17 F45 Q47 N89 C192 | I17-K91 HydrophobicContact CD1-CB 3.64Å; I17-K91 HydrophobicContact CD1-CG 3.97Å; I17-K91 VanDerWaalsContact CD1-O 3.31Å; I17-K91 WeakPolarHBondContact CD1-O 3.18Å; I17-K91 HydrophobicContact CG1-CB 4.11Å; I17-K91 HydrophobicContact CG1-CD 4.38Å; I17-K91 HydrophobicContact CG1-CG 3.91Å; F45-K91 HydrophobicContact CD1-CB 3.97Å; F45-K91 WeakPolarHBondContact O-CD 3.48Å; F45-K91 WeakPolarHBondContact O-CE 3.45Å; F45-K91 PolarHBondContact O-NZ 2.9Å; Q47-K91 PolarHBondContact O-NZ 3.02Å; N89-K91 VanDerWaalsContact C-N 3.26Å; N89-K91 PolarHBondContact O-N 2.82Å; N89-K91 VanDerWaalsContact OD1-CB 3.23Å; N89-K91 WeakPolarHBondContact OD1-CB 3.32Å; N89-K91 PolarHBondContact OD1-N 3.26Å; K91-C192 VanDerWaalsContact O-CB 3.26Å; K91-C192 WeakPolarHBondContact O-CB 3.42Å |
| 92 | Y | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -154.2 | 159.6 | 175.5 | 72.6 | -86.1 | 0 | 0 | 0 | 112 | I41 R42 F45 D86 E87 G88 L94 L190 Y191 | I41-Y92 HydrophobicContact CG2-CD1 4.23Å; I41-Y92 HydrophobicContact CG2-CD2 4.09Å; I41-Y92 HydrophobicContact CG2-CE1 3.71Å; I41-Y92 HydrophobicContact CG2-CE2 3.62Å; I41-Y92 HydrophobicContact CG2-CG 4.39Å; R42-Y92 WeakPolarHBondContact CG-OH 3.32Å; F45-Y92 HydrophobicContact CB-CD1 3.59Å; F45-Y92 HydrophobicContact CB-CE1 3.73Å; F45-Y92 AromaticContact CD1-CD1 3.68Å; F45-Y92 HydrophobicContact CD1-CD1 3.68Å; F45-Y92 HydrophobicContact CD1-CG 4.24Å; F45-Y92 AromaticContact CD2-CD1 3.67Å; F45-Y92 HydrophobicContact CD2-CD1 3.67Å; F45-Y92 AromaticContact CD2-CE1 4Å; F45-Y92 HydrophobicContact CD2-CE1 4Å; F45-Y92 HydrophobicContact CD2-CG 4.24Å; F45-Y92 HydrophobicContact CE1-CD1 4.29Å; F45-Y92 HydrophobicContact CE1-CG 4.41Å; F45-Y92 HydrophobicContact CE2-CD1 4.27Å; F45-Y92 HydrophobicContact CE2-CG 4.4Å; F45-Y92 AromaticContact CG-CD1 3.33Å; F45-Y92 HydrophobicContact CG-CD1 3.33Å; F45-Y92 AromaticContact CG-CE1 3.85Å; F45-Y92 HydrophobicContact CG-CE1 3.85Å; F45-Y92 HydrophobicContact CG-CG 4.16Å; F45-Y92 HydrophobicContact CZ-CG 4.49Å; D86-Y92 WeakPolarHBondContact OD2-CE2 3.42Å; D86-Y92 VanDerWaalsContact OD2-CZ 3.27Å; D86-Y92 PolarHBondContact OD2-OH 2.86Å; E87-Y92 CarbonylContact C-O 3.59Å; G88-Y92 WeakPolarHBondContact CA-OH 3.23Å; G88-Y92 PolarHBondContact N-O 2.87Å; Y92-L94 HydrophobicContact CD2-CB 4.34Å; Y92-L94 HydrophobicContact CE2-CB 4.07Å; Y92-L190 HydrophobicContact CD2-CD1 4.18Å; Y92-L190 HydrophobicContact CD2-CG 4.27Å; Y92-Y191 CarbonylContact C-O 3.55Å; Y92-Y191 WeakPolarHBondContact CA-O 3.27Å; Y92-Y191 WeakPolarHBondContact CB-O 3.17Å | ||
| 93 | N | 97.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.2 | 163.6 | -87.4 | -18.2 | 0 | 0 | 0 | 109.2 | L84 E87 L95 L190 Y191 P194 | L84-N93 HydrophobicContact CD1-CB 4.15Å; E87-N93 WeakPolarHBondContact CA-OD1 3.4Å; N93-L95 HydrophobicContact CB-CD1 3.72Å; N93-L190 WeakPolarHBondContact O-CA 3.44Å; N93-Y191 PolarHBondContact N-O 2.81Å; N93-Y191 PolarHBondContact O-N 2.74Å; N93-P194 HydrophobicContact CB-CB 4.47Å |
| 94 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 120.8 | 171.1 | -172.1 | 71.8 | 0 | 0 | 0 | 109.4 | L37 I38 I41 I85 D86 Y92 L188 H189 L190 | L37-L94 HydrophobicContact CD2-CD2 4.49Å; I38-L94 HydrophobicContact CG1-CD2 4.08Å; I41-L94 HydrophobicContact CD1-CD1 4.22Å; I41-L94 HydrophobicContact CD1-CD2 4.31Å; I85-L94 HydrophobicContact CB-CD2 4.36Å; I85-L94 HydrophobicContact CB-CG 4.41Å; I85-L94 WeakPolarHBondContact CB-O 3.22Å; I85-L94 HydrophobicContact CG2-CD2 4.1Å; I85-L94 PolarHBondContact N-O 3.18Å; D86-L94 HydrophobicContact CB-CB 4.13Å; D86-L94 HydrophobicContact CB-CD2 4.5Å; D86-L94 PolarHBondContact N-O 3.13Å; D86-L94 PolarHBondContact O-N 3.37Å; Y92-L94 HydrophobicContact CD2-CB 4.34Å; Y92-L94 HydrophobicContact CE2-CB 4.07Å; L94-L188 HydrophobicContact CD1-CD1 3.75Å; L94-L188 HydrophobicContact CD1-CD2 4.21Å; L94-L188 HydrophobicContact CD1-CG 3.91Å; L94-L188 HydrophobicContact CD2-CD1 4.36Å; L94-L188 HydrophobicContact CG-CD1 3.91Å; L94-H189 CarbonylContact C-O 3.55Å; L94-H189 WeakPolarHBondContact CA-O 3.2Å; L94-L190 HydrophobicContact CD1-CB 4.15Å; L94-L190 HydrophobicContact CD1-CD1 4.33Å |
| 95 | L | 98.6 | Very high | 97 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.2 | -176.5 | -54 | 92.8 | 0 | 0 | 0 | 111.9 | R82 N83 L84 N93 L97 L188 H189 Y191 I215 | R82-L95 HydrophobicContact CB-CD2 3.98Å; N83-L95 CarbonylContact O-C 3.46Å; N83-L95 VanDerWaalsContact O-CA 3.32Å; N83-L95 WeakPolarHBondContact O-CA 3.47Å; L84-L95 HydrophobicContact CD1-CG 4.13Å; N93-L95 HydrophobicContact CB-CD1 3.72Å; L95-L97 HydrophobicContact CB-CD1 3.87Å; L95-L188 WeakPolarHBondContact O-CA 3.31Å; L95-H189 PolarHBondContact N-O 2.89Å; L95-H189 PolarHBondContact O-N 3.41Å; L95-Y191 HydrophobicContact CD1-CD2 3.5Å; L95-Y191 VanDerWaalsContact CD1-CD2 3.5Å; L95-Y191 HydrophobicContact CD1-CE2 3.64Å; L95-I215 HydrophobicContact CD2-CD1 3.46Å; L95-I215 VanDerWaalsContact CD2-CD1 3.46Å |
| 96 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.9 | 161.7 | -155.5 | 67.8 | 0 | 0 | 0 | 109.2 | W69 L73 N83 I85 I120 I186 L188 | W69-L96 HydrophobicContact CB-CD2 4.32Å; W69-L96 HydrophobicContact CD2-CD1 4.4Å; W69-L96 HydrophobicContact CE3-CD1 3.71Å; W69-L96 HydrophobicContact CE3-CD2 4.06Å; W69-L96 HydrophobicContact CZ3-CD1 3.83Å; L73-L96 HydrophobicContact CD2-CD2 3.66Å; N83-L96 HydrophobicContact CB-CB 4.32Å; N83-L96 VanDerWaalsContact CB-O 3.25Å; N83-L96 WeakPolarHBondContact CB-O 3.25Å; N83-L96 PolarHBondContact N-O 2.87Å; N83-L96 PolarHBondContact ND2-O 3.43Å; N83-L96 PolarHBondContact O-N 3.15Å; I85-L96 HydrophobicContact CD1-CB 3.94Å; I85-L96 HydrophobicContact CD1-CD1 4.49Å; I85-L96 HydrophobicContact CG1-CB 4.33Å; L96-I120 HydrophobicContact CD1-CG1 4.43Å; L96-I186 HydrophobicContact CD1-CG2 3.56Å; L96-I186 HydrophobicContact CD2-CG2 3.93Å; L96-I186 HydrophobicContact CG-CG2 3.7Å; L96-L188 HydrophobicContact CD1-CB 4.5Å; L96-L188 HydrophobicContact CD1-CD1 4.36Å |
| 97 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.1 | 169.7 | -85.6 | 65.7 | 0 | 0 | 0 | 109.9 | Y80 T81 R82 L95 W99 I186 T187 H189 | Y80-L97 HydrophobicContact CD2-CD2 3.92Å; Y80-L97 HydrophobicContact CD2-CG 4.36Å; Y80-L97 HydrophobicContact CE2-CD2 3.88Å; T81-L97 VanDerWaalsContact O-CA 3.23Å; T81-L97 WeakPolarHBondContact O-CA 3.14Å; T81-L97 WeakPolarHBondContact O-CG 3.35Å; R82-L97 HydrophobicContact CB-CD1 4.24Å; R82-L97 HydrophobicContact CG-CD1 3.97Å; R82-L97 HydrophobicContact CG-CD2 4.15Å; R82-L97 HydrophobicContact CG-CG 3.92Å; L95-L97 HydrophobicContact CB-CD1 3.87Å; L97-W99 HydrophobicContact CB-CZ2 3.77Å; L97-W99 HydrophobicContact CD2-CH2 3.77Å; L97-W99 HydrophobicContact CD2-CZ2 3.46Å; L97-W99 VanDerWaalsContact CD2-CZ2 3.46Å; L97-W99 HydrophobicContact CG-CZ2 4.24Å; L97-W99 PolarHBondContact O-NE1 2.53Å; L97-I186 WeakPolarHBondContact O-CA 3.17Å; L97-T187 WeakPolarHBondContact CB-OG1 3.29Å; L97-T187 PolarHBondContact N-O 3.21Å; L97-T187 PolarHBondContact O-N 2.75Å; L97-H189 HydrophobicContact CD1-CB 4.19Å |
| 98 | C | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.2 | 177.6 | -62.6 | 0 | 0 | 0 | 0 | 108.9 | F75 Y80 T81 | F75-C98 HydrophobicContact CD1-CB 3.68Å; F75-C98 HydrophobicContact CD2-CB 4.32Å; F75-C98 HydrophobicContact CE1-CB 3.6Å; F75-C98 HydrophobicContact CE2-CB 4.26Å; F75-C98 HydrophobicContact CG-CB 4.05Å; F75-C98 HydrophobicContact CZ-CB 3.91Å; Y80-C98 VanDerWaalsContact CA-O 3.31Å; Y80-C98 WeakPolarHBondContact CA-O 3.44Å; Y80-C98 WeakPolarHBondContact CB-O 3.39Å; T81-C98 PolarHBondContact N-O 3.05Å; T81-C98 PolarHBondContact O-N 2.77Å; T81-C98 WeakPolarHBondContact OG1-CB 3.5Å |
| 99 | W | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.9 | -174.9 | -42.9 | 81.8 | 0 | 0 | 0 | 108.5 | F75 Y80 L97 T105 I124 L176 N178 T184 A185 T187 | F75-W99 WeakPolarHBondContact CE1-O 3.49Å; Y80-W99 VanDerWaalsContact CB-CE3 3.44Å; Y80-W99 HydrophobicContact CD1-CE3 4.32Å; Y80-W99 AromaticContact CD1-CZ3 3.91Å; Y80-W99 HydrophobicContact CD1-CZ3 3.91Å; Y80-W99 HydrophobicContact CD2-CE3 4.27Å; Y80-W99 HydrophobicContact CD2-CH2 4.06Å; Y80-W99 AromaticContact CD2-CZ3 3.85Å; Y80-W99 HydrophobicContact CD2-CZ3 3.85Å; Y80-W99 HydrophobicContact CE1-CZ3 4.49Å; Y80-W99 HydrophobicContact CE2-CH2 4.4Å; Y80-W99 HydrophobicContact CE2-CZ3 4.41Å; Y80-W99 AromaticContact CG-CE3 3.77Å; Y80-W99 HydrophobicContact CG-CE3 3.77Å; Y80-W99 HydrophobicContact CG-CH2 4.27Å; Y80-W99 AromaticContact CG-CZ3 3.58Å; Y80-W99 HydrophobicContact CG-CZ3 3.58Å; L97-W99 HydrophobicContact CB-CZ2 3.77Å; L97-W99 HydrophobicContact CD2-CH2 3.77Å; L97-W99 HydrophobicContact CD2-CZ2 3.46Å; L97-W99 VanDerWaalsContact CD2-CZ2 3.46Å; L97-W99 HydrophobicContact CG-CZ2 4.24Å; L97-W99 PolarHBondContact O-NE1 2.53Å; W99-T105 HydrophobicContact CH2-CG2 3.6Å; W99-T105 HydrophobicContact CZ3-CG2 3.68Å; W99-I124 HydrophobicContact CB-CD1 4.44Å; W99-I124 HydrophobicContact CD2-CD1 3.89Å; W99-I124 HydrophobicContact CG-CD1 3.82Å; W99-L176 HydrophobicContact CH2-CB 3.89Å; W99-L176 HydrophobicContact CH2-CD1 4.22Å; W99-L176 HydrophobicContact CZ2-CB 4.46Å; W99-L176 HydrophobicContact CZ2-CD1 4.29Å; W99-L176 HydrophobicContact CZ3-CB 4.38Å; W99-N178 HydrophobicContact CB-CB 4.02Å; W99-T184 CarbonylContact O-C 3.48Å; W99-T184 VanDerWaalsContact O-CA 3.29Å; W99-T184 WeakPolarHBondContact O-CA 3.34Å; W99-T184 WeakPolarHBondContact O-CB 3.47Å; W99-A185 HydrophobicContact CB-CB 4.13Å; W99-A185 VanDerWaalsContact CD1-O 3.31Å; W99-A185 HydrophobicContact CG-CB 4.35Å; W99-A185 PolarHBondContact N-O 2.65Å; W99-A185 PolarHBondContact O-N 3.27Å; W99-T187 PolarHBondContact NE1-OG1 3.2Å |
| 100 | S | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 8% | 0.084 | 13% | 0.132 | C | C | . | . | trans | -71.5 | 177 | 165.2 | -48.5 | 0 | 0 | 0 | 0 | 109.9 | N76 Q103 N178 | N76-S100 PolarHBondContact O-OG 2.97Å; S100-Q103 VanDerWaalsContact CB-CD 3.49Å; S100-Q103 WeakPolarHBondContact O-CB 3.48Å; S100-Q103 PolarHBondContact O-N 2.67Å; S100-N178 PolarHBondContact O-ND2 3.45Å | ||
| 101 | E | 98.2 | Very high | 97.6 | Very high | 83 Ų | 83 | 20 Ų | 20 | 39% | 0.388 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 138.3 | -179.4 | -58.1 | 78.2 | -172.3 | 0 | 0 | 111 | Q103 S180 | E101-Q103 PolarHBondContact O-N 2.95Å; E101-S180 CarbonylContact C-O 3.58Å; E101-S180 WeakPolarHBondContact CA-O 3.35Å; E101-S180 WeakPolarHBondContact CB-O 3.49Å |
| 102 | E | 98.2 | Very high | 97.5 | Very high | 110 Ų | 110 | 19 Ų | 19 | 51% | 0.514 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 5.6 | 176.8 | -57.7 | -175.6 | 114.2 | 0 | 0 | 116 | H177 N178 S180 K181 | E102-H177 PolarHBondContact O-CE1 3.23Å; E102-H177 PolarHBondContact O-ND1 2.9Å; E102-N178 CarbonylContact C-O 3.59Å; E102-N178 WeakPolarHBondContact CA-O 3.42Å; E102-N178 PolarHBondContact N-O 3.16Å; E102-S180 PolarHBondContact N-O 3.02Å; E102-K181 HydrophobicContact CG-CG 4.09Å; E102-K181 VanDerWaalsContact OE1-CE 3.3Å; E102-K181 WeakPolarHBondContact OE1-CE 3.09Å |
| 103 | Q | 98.4 | Very high | 97.3 | Very high | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.075 | 12% | 0.122 | C | C | . | . | trans | -72.4 | 151.8 | 179.5 | -69.7 | -176.3 | -14 | 0 | 0 | 111.7 | N76 K77 K79 S100 E101 H177 N178 | N76-Q103 PolarHBondContact O-NE2 3.1Å; K77-Q103 PolarHBondContact O-NE2 2.91Å; K79-Q103 VanDerWaalsContact N-NE2 3.19Å; K79-Q103 PolarHBondContact O-NE2 3.16Å; K79-Q103 VanDerWaalsContact O-NE2 3.15Å; K79-Q103 PolarHBondContact O-OE1 3.2Å; S100-Q103 VanDerWaalsContact CB-CD 3.49Å; S100-Q103 WeakPolarHBondContact O-CB 3.48Å; S100-Q103 PolarHBondContact O-N 2.67Å; E101-Q103 PolarHBondContact O-N 2.95Å; Q103-H177 CarbonylContact O-C 3.6Å; Q103-H177 WeakPolarHBondContact O-CA 3.31Å; Q103-H177 PolarHBondContact O-ND1 2.99Å; Q103-H177 VanDerWaalsContact O-ND1 3.13Å; Q103-N178 PolarHBondContact O-N 3Å | ||
| 104 | G | 97.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 17.7 Ų | 17.7 | 32% | 0.32 | 12% | 0.115 | S | C | . | . | B | Isolated β-bridge | trans | -159 | 170.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L176 | G104-L176 CarbonylContact C-O 3.57Å; G104-L176 WeakPolarHBondContact CA-O 3.19Å |
| 105 | T | 98 | Very high | 97.2 | Very high | 10 Ų | 10 | 17.8 Ų | 17.8 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | trans | -81.3 | 167.1 | 172.2 | 66 | 0 | 0 | 0 | 0 | 110.8 | Y80 W99 H108 L176 | Y80-T105 HydrophobicContact CE1-CG2 3.95Å; Y80-T105 HydrophobicContact CE2-CG2 4.42Å; W99-T105 HydrophobicContact CH2-CG2 3.6Å; W99-T105 HydrophobicContact CZ3-CG2 3.68Å; T105-H108 PolarHBondContact OG1-CE1 2.74Å; T105-H108 PolarHBondContact OG1-ND1 2.51Å; T105-L176 HydrophobicContact CG2-CB 4.16Å; T105-L176 PolarHBondContact N-O 3.18Å; T105-L176 PolarHBondContact OG1-N 3.36Å; T105-L176 PolarHBondContact OG1-O 2.91Å | ||
| 106 | G | 97.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 17.7 Ų | 17.7 | 33% | 0.33 | 12% | 0.115 | S | C | . | . | trans | -63.5 | 174.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | H108 | G106-H108 PolarHBondContact O-ND1 3.33Š| ||
| 107 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.7 | 165 | -57.7 | 167.9 | 0 | 0 | 0 | 106.2 | Y129 L151 I173 H174 R175 N200 F201 E203 | I107-Y129 HydrophobicContact CD1-CD1 4.39Å; I107-Y129 HydrophobicContact CD1-CD2 4.2Å; I107-Y129 HydrophobicContact CD1-CE1 3.86Å; I107-Y129 HydrophobicContact CD1-CE2 3.67Å; I107-Y129 VanDerWaalsContact CD1-CZ 3.47Å; I107-Y129 HydrophobicContact CG1-CD2 4.26Å; I107-Y129 HydrophobicContact CG1-CE2 3.72Å; I107-Y129 HydrophobicContact CG2-CD2 3.74Å; I107-Y129 HydrophobicContact CG2-CE2 4.08Å; I107-Y129 HydrophobicContact CG2-CG 4.31Å; I107-L151 HydrophobicContact CB-CD1 4.33Å; I107-L151 HydrophobicContact CD1-CD1 3.59Å; I107-L151 HydrophobicContact CG2-CD1 3.93Å; I107-I173 HydrophobicContact CG2-CB 4.19Å; I107-I173 HydrophobicContact CG2-CD1 3.67Å; I107-I173 HydrophobicContact CG2-CG1 3.69Å; I107-H174 CarbonylContact C-O 3.59Å; I107-H174 WeakPolarHBondContact CA-O 3.47Å; I107-R175 HydrophobicContact CG1-CB 4.06Å; I107-N200 CarbonylContact O-C 3.45Å; I107-N200 VanDerWaalsContact O-CA 3.28Å; I107-N200 WeakPolarHBondContact O-CA 3.49Å; I107-F201 HydrophobicContact CB-CB 4.26Å; I107-F201 HydrophobicContact CG2-CB 4.26Å; I107-F201 PolarHBondContact O-N 3.1Å; I107-E203 HydrophobicContact CD1-CB 3.59Å; I107-E203 HydrophobicContact CD1-CG 3.75Å |
| 108 | H | 97.9 | Very high | 97.1 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.3 | -168.5 | 61.4 | -69.8 | 0 | 0 | 0 | 114 | T105 G106 I173 H174 M199 N200 | T105-H108 PolarHBondContact OG1-CE1 2.74Å; T105-H108 PolarHBondContact OG1-ND1 2.51Å; G106-H108 PolarHBondContact O-ND1 3.33Å; H108-I173 WeakPolarHBondContact O-CA 3.13Å; H108-I173 WeakPolarHBondContact O-CB 3.05Å; H108-H174 AromaticContact CE1-CD2 3.53Å; H108-H174 AromaticContact CE1-NE2 3.58Å; H108-H174 PolarHBondContact N-O 3.46Å; H108-H174 PolarHBondContact ND1-O 3.21Å; H108-H174 VanDerWaalsContact ND1-O 3.08Å; H108-H174 AromaticContact NE2-CD2 3.82Å; H108-H174 AromaticContact NE2-NE2 3.53Å; H108-H174 PolarHBondContact O-N 2.92Å; H108-M199 WeakPolarHBondContact CA-O 3.41Å; H108-M199 WeakPolarHBondContact CB-O 3.42Å; H108-N200 WeakPolarHBondContact CB-OD1 3.24Å |
| 109 | D | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -96.9 | -175 | 170.5 | 72.7 | 1 | 0 | 0 | 0 | 112.3 | W131 I173 S198 M199 F201 | D109-W131 HydrophobicContact CB-CH2 3.54Å; D109-W131 HydrophobicContact CB-CZ2 4.43Å; D109-W131 HydrophobicContact CB-CZ3 4.24Å; D109-I173 HydrophobicContact CB-CG2 4.07Å; D109-S198 WeakPolarHBondContact OD1-CA 3.33Å; D109-S198 VanDerWaalsContact OD1-CB 3.26Å; D109-S198 WeakPolarHBondContact OD1-CB 3.46Å; D109-M199 PolarHBondContact N-O 3.18Å; D109-M199 PolarHBondContact OD1-N 2.81Å; D109-M199 WeakPolarHBondContact OD2-CB 3.39Å; D109-M199 WeakPolarHBondContact OD2-CG 3.41Å; D109-F201 HydrophobicContact CB-CE2 4.29Å | ||
| 110 | H | 94.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -124.1 | 16.5 | 179.9 | -59.9 | 84.4 | 0 | 0 | 0 | 113.5 | G112 A113 C115 M167 D169 H174 Y195 | H110-G112 VanDerWaalsContact C-N 3.26Å; H110-G112 PolarHBondContact O-N 2.96Å; H110-A113 WeakPolarHBondContact CB-O 3.21Å; H110-A113 WeakPolarHBondContact O-CB 3.2Å; H110-A113 PolarHBondContact O-N 3.28Å; H110-C115 WeakPolarHBondContact CD2-CB 3.44Å; H110-C115 PolarHBondContact NE2-SG 2.93Å; H110-C115 VanDerWaalsContact NE2-SG 3.38Å; H110-M167 VanDerWaalsContact CE1-CG 3.47Å; H110-M167 WeakPolarHBondContact CE1-CG 3.31Å; H110-D169 PolarHBondContact N-OD1 2.92Å; H110-D169 IonicContact ND1-OD1 3.32Å; H110-H174 AromaticContact CE1-CD2 3.61Å; H110-H174 AromaticContact CE1-CE1 3.68Å; H110-H174 AromaticContact CE1-NE2 3.24Å; H110-H174 PolarHBondContact CE1-NE2 3.42Å; H110-H174 AromaticContact NE2-CE1 3.75Å; H110-H174 AromaticContact NE2-NE2 3.29Å; H110-H174 PolarHBondContact NE2-NE2 2.93Å; H110-Y195 HydrophobicContact CB-CE1 4.38Å; H110-Y195 PolarHBondContact CD2-OH 3.36Å | ||
| 111 | A | 93.3 | Very high | 97.1 | Very high | 46 Ų | 46 | 22.7 Ų | 22.7 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | A113 D169 Y195 E197 | A111-A113 VanDerWaalsContact C-N 3.27Å; A111-A113 PolarHBondContact O-N 2.84Å; A111-D169 PolarHBondContact N-OD2 3.23Å; A111-Y195 HydrophobicContact CB-CD2 4.24Å; A111-Y195 HydrophobicContact CB-CG 4.21Å; A111-E197 WeakPolarHBondContact CB-O 3.41Å |
| 112 | G | 92.2 | Very high | 97 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 8.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N13 H110 H168 D169 | N13-G112 PolarHBondContact ND2-O 3.17Å; N13-G112 VanDerWaalsContact ND2-O 3.14Å; H110-G112 VanDerWaalsContact C-N 3.26Å; H110-G112 PolarHBondContact O-N 2.96Å; G112-H168 PolarHBondContact O-NE2 3.39Å; G112-D169 PolarHBondContact N-OD2 3.47Å |
| 113 | A | 93.9 | Very high | 97 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -89.3 | 145.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H110 A111 P193 Y195 | H110-A113 WeakPolarHBondContact CB-O 3.21Å; H110-A113 WeakPolarHBondContact O-CB 3.2Å; H110-A113 PolarHBondContact O-N 3.28Å; A111-A113 VanDerWaalsContact C-N 3.27Å; A111-A113 PolarHBondContact O-N 2.84Å; A113-P193 WeakPolarHBondContact CB-O 3.28Å; A113-Y195 HydrophobicContact CB-CD1 3.69Å; A113-Y195 HydrophobicContact CB-CE1 3.98Å | ||
| 114 | D | 95.4 | Very high | 97 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.4 | 165.4 | -73.2 | -109.5 | 0 | 0 | 0 | 109.3 | L19 F116 Y166 H168 Y191 C192 | L19-D114 HydrophobicContact CD1-CB 3.99Å; L19-D114 VanDerWaalsContact CD1-CG 3.44Å; L19-D114 WeakPolarHBondContact CD1-OD2 3.5Å; D114-F116 HydrophobicContact CB-CE2 4.17Å; D114-Y166 HydrophobicContact CB-CE2 4.01Å; D114-Y166 WeakPolarHBondContact OD1-CE2 3.31Å; D114-Y166 PolarHBondContact OD1-OH 2.86Å; D114-H168 IonicContact OD2-CD2 3.19Å; D114-Y191 CarbonylContact O-C 3.06Å; D114-Y191 WeakPolarHBondContact O-CA 3.37Å; D114-C192 PolarHBondContact N-O 2.83Å; D114-C192 PolarHBondContact O-N 3.46Å |
| 115 | C | 97.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.4 | -176.7 | 169.7 | 0 | 0 | 0 | 0 | 110.1 | H110 Y166 M167 L190 Y191 | H110-C115 WeakPolarHBondContact CD2-CB 3.44Å; H110-C115 PolarHBondContact NE2-SG 2.93Å; H110-C115 VanDerWaalsContact NE2-SG 3.38Å; C115-Y166 CarbonylContact O-C 3.5Å; C115-Y166 WeakPolarHBondContact O-CA 3.33Å; C115-M167 HydrophobicContact CB-CB 4.23Å; C115-M167 WeakPolarHBondContact CB-O 3.4Å; C115-M167 PolarHBondContact N-O 3.29Å; C115-M167 PolarHBondContact O-N 3.24Å; C115-L190 WeakPolarHBondContact CA-O 3.2Å; C115-Y191 HydrophobicContact CB-CD1 3.9Å; C115-Y191 HydrophobicContact CB-CE1 4.01Å; C115-Y191 WeakPolarHBondContact SG-CE1 3.04Å |
| 116 | F | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.5 | 172.1 | -54 | -98.9 | 0 | 0 | 0 | 109.4 | I52 V55 L59 D114 V164 T165 Y166 H189 L190 | I52-F116 HydrophobicContact CB-CE1 4.29Å; I52-F116 HydrophobicContact CB-CZ 3.82Å; I52-F116 HydrophobicContact CG2-CZ 4.16Å; V55-F116 HydrophobicContact CB-CE1 4.27Å; V55-F116 HydrophobicContact CB-CE2 4.45Å; V55-F116 HydrophobicContact CB-CZ 4.05Å; V55-F116 HydrophobicContact CG1-CD1 4.35Å; V55-F116 HydrophobicContact CG1-CD2 4.05Å; V55-F116 HydrophobicContact CG1-CE1 4.17Å; V55-F116 HydrophobicContact CG1-CE2 3.88Å; V55-F116 HydrophobicContact CG1-CG 4.29Å; V55-F116 HydrophobicContact CG1-CZ 3.93Å; L59-F116 HydrophobicContact CD1-CB 3.45Å; L59-F116 VanDerWaalsContact CD1-CB 3.45Å; L59-F116 HydrophobicContact CD1-CD1 4.4Å; L59-F116 HydrophobicContact CD1-CG 3.97Å; D114-F116 HydrophobicContact CB-CE2 4.17Å; F116-V164 HydrophobicContact CB-CG1 4.37Å; F116-T165 WeakPolarHBondContact CA-O 3.41Å; F116-Y166 HydrophobicContact CD1-CD2 4.01Å; F116-Y166 AromaticContact CE1-CD2 3.71Å; F116-Y166 HydrophobicContact CE1-CD2 3.71Å; F116-Y166 HydrophobicContact CE1-CE2 4.29Å; F116-Y166 AromaticContact CZ-CD2 4Å; F116-Y166 HydrophobicContact CZ-CD2 4Å; F116-Y166 HydrophobicContact CZ-CE2 4.15Å; F116-H189 CarbonylContact O-C 3.56Å; F116-H189 VanDerWaalsContact O-CA 3.28Å; F116-H189 WeakPolarHBondContact O-CA 3.4Å; F116-L190 HydrophobicContact CB-CB 4.36Å; F116-L190 HydrophobicContact CD2-CB 4.3Å; F116-L190 HydrophobicContact CD2-CD2 3.75Å; F116-L190 HydrophobicContact CE2-CD2 4.05Å; F116-L190 PolarHBondContact N-O 3.27Å; F116-L190 PolarHBondContact O-N 3Å |
| 117 | V | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 109.3 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | I119 V164 T165 L176 T187 L188 | V117-I119 HydrophobicContact CG1-CD1 4.38Å; V117-V164 CarbonylContact O-C 3.6Å; V117-V164 VanDerWaalsContact O-CA 3.29Å; V117-V164 WeakPolarHBondContact O-CA 3.21Å; V117-T165 PolarHBondContact N-O 2.81Å; V117-T165 PolarHBondContact O-N 3.03Å; V117-L176 HydrophobicContact CG2-CD1 4.4Å; V117-T187 HydrophobicContact CG1-CG2 4.11Å; V117-L188 CarbonylContact C-O 3.56Å; V117-L188 WeakPolarHBondContact CA-O 3.41Å |
| 118 | K | 98.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.03 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.9 | 169.8 | -173.7 | -169.1 | 179.4 | 71.4 | 0 | 110.3 | L59 K60 F62 I120 G162 E163 V164 T187 L188 | L59-K118 WeakPolarHBondContact O-CD 3.5Å; L59-K118 VanDerWaalsContact O-CE 3.31Å; L59-K118 WeakPolarHBondContact O-CE 3.3Å; L59-K118 PolarHBondContact O-NZ 2.86Å; K60-K118 PolarHBondContact O-NZ 2.9Å; F62-K118 WeakPolarHBondContact O-CE 3.06Å; F62-K118 PolarHBondContact O-NZ 2.85Å; F62-K118 VanDerWaalsContact O-NZ 3.09Å; K118-I120 HydrophobicContact CD-CD1 3.69Å; K118-I120 HydrophobicContact CG-CD1 4.18Å; K118-I120 PolarHBondContact O-N 3.35Å; K118-G162 PolarHBondContact NZ-O 2.84Å; K118-E163 WeakPolarHBondContact CA-O 3.11Å; K118-V164 HydrophobicContact CB-CG2 3.95Å; K118-V164 HydrophobicContact CG-CG2 3.98Å; K118-T187 CarbonylContact O-C 3.52Å; K118-T187 VanDerWaalsContact O-CA 3.22Å; K118-T187 WeakPolarHBondContact O-CA 3.32Å; K118-T187 WeakPolarHBondContact O-CB 3.5Å; K118-L188 HydrophobicContact CB-CB 4.22Å; K118-L188 PolarHBondContact N-O 2.91Å; K118-L188 PolarHBondContact O-N 2.78Å |
| 119 | I | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.1 | 170.8 | -49.5 | -51.8 | 0 | 0 | 0 | 109.2 | V117 I124 P159 P161 G162 E163 T187 | V117-I119 HydrophobicContact CG1-CD1 4.38Å; I119-I124 HydrophobicContact CD1-CB 3.93Å; I119-I124 HydrophobicContact CD1-CG1 4.15Å; I119-P159 HydrophobicContact CD1-CB 4.49Å; I119-P159 HydrophobicContact CD1-CG 3.83Å; I119-P159 HydrophobicContact CG1-CB 3.78Å; I119-P159 HydrophobicContact CG1-CG 3.65Å; I119-P161 HydrophobicContact CG2-CB 4.49Å; I119-P161 HydrophobicContact CG2-CG 4.3Å; I119-G162 PolarHBondContact O-N 3.35Å; I119-E163 PolarHBondContact N-O 2.94Å; I119-T187 HydrophobicContact CD1-CG2 3.62Å |
| 120 | I | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 23.9 Ų | 23.9 | 15% | 0.149 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -48.9 | 178.3 | -58 | -60.7 | 0 | 0 | 0 | 110.4 | F66 W69 L96 K118 I186 L188 | F66-I120 HydrophobicContact CE2-CG2 4.36Å; W69-I120 HydrophobicContact CH2-CD1 4.18Å; W69-I120 HydrophobicContact CZ2-CD1 3.77Å; W69-I120 HydrophobicContact CZ2-CG1 4.39Å; L96-I120 HydrophobicContact CD1-CG1 4.43Å; K118-I120 HydrophobicContact CD-CD1 3.69Å; K118-I120 HydrophobicContact CG-CD1 4.18Å; K118-I120 PolarHBondContact O-N 3.35Å; I120-I186 HydrophobicContact CB-CB 4.18Å; I120-I186 HydrophobicContact CB-CG2 3.95Å; I120-I186 WeakPolarHBondContact CB-O 3.48Å; I120-I186 HydrophobicContact CG1-CG2 4.32Å; I120-I186 HydrophobicContact CG2-CG2 4.22Å; I120-I186 PolarHBondContact N-O 2.84Å; I120-L188 HydrophobicContact CD1-CB 4.03Å; I120-L188 HydrophobicContact CG1-CB 4.06Å |
| 121 | K | 98 | Very high | 97.3 | Very high | 79 Ų | 79 | 26.4 Ų | 26.4 | 34% | 0.343 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 149.1 | -178.4 | -176.6 | -173 | 172.6 | -158.3 | 0 | 110 | F66 A185 I186 | F66-K121 HydrophobicContact CE2-CB 4.29Å; F66-K121 HydrophobicContact CE2-CD 4.19Å; F66-K121 HydrophobicContact CZ-CD 4.12Å; K121-A185 CarbonylContact O-C 3.57Å; K121-A185 VanDerWaalsContact O-CA 3.28Å; K121-A185 WeakPolarHBondContact O-CA 3.34Å; K121-I186 HydrophobicContact CB-CB 4.2Å; K121-I186 HydrophobicContact CB-CD1 4.09Å; K121-I186 HydrophobicContact CB-CG1 4.42Å; K121-I186 HydrophobicContact CD-CD1 4.14Å; K121-I186 PolarHBondContact N-O 2.96Å; K121-I186 VanDerWaalsContact N-O 3.15Å; K121-I186 PolarHBondContact O-N 2.92Å |
| 122 | G | 97.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 24% | 0.237 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 79.5 | -153.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 123 | Q | 97.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 51% | 0.505 | 16% | 0.161 | S | C | . | . | trans | -127.5 | 139.7 | -179.4 | -68.2 | -177.1 | -30 | 0 | 0 | 110.1 | N178 P179 A185 | Q123-N178 PolarHBondContact O-OD1 3.38Å; Q123-P179 HydrophobicContact CB-CG 4.26Å; Q123-P179 WeakPolarHBondContact O-CD 3.24Å; Q123-A185 WeakPolarHBondContact O-CB 3.5Å | ||
| 124 | I | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -126.8 | 127.5 | 167.6 | -66.3 | -64.5 | 0 | 0 | 0 | 107.7 | W99 I119 P159 L176 H177 N178 A185 T187 | W99-I124 HydrophobicContact CB-CD1 4.44Å; W99-I124 HydrophobicContact CD2-CD1 3.89Å; W99-I124 HydrophobicContact CG-CD1 3.82Å; I119-I124 HydrophobicContact CD1-CB 3.93Å; I119-I124 HydrophobicContact CD1-CG1 4.15Å; I124-P159 WeakPolarHBondContact O-CD 3.09Å; I124-L176 HydrophobicContact CG2-CB 3.97Å; I124-L176 HydrophobicContact CG2-CD2 3.92Å; I124-L176 HydrophobicContact CG2-CG 4.44Å; I124-H177 CarbonylContact C-O 3.55Å; I124-H177 WeakPolarHBondContact CA-O 3.46Å; I124-N178 HydrophobicContact CD1-CB 4.14Å; I124-A185 HydrophobicContact CD1-CB 3.74Å; I124-A185 HydrophobicContact CG1-CB 4.14Å; I124-T187 HydrophobicContact CD1-CG2 4.43Å; I124-T187 HydrophobicContact CG1-CG2 3.59Å | ||
| 125 | K | 98.7 | Very high | 97.1 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.8 | 167.4 | -179.8 | -177.2 | 177 | -176.3 | 0 | 108.1 | V156 N157 V158 L176 H177 | K125-V156 HydrophobicContact CD-CG1 4.31Å; K125-V156 HydrophobicContact CG-CG1 4.07Å; K125-N157 WeakPolarHBondContact CA-O 3.43Å; K125-V158 HydrophobicContact CB-CG2 4.27Å; K125-V158 HydrophobicContact CG-CG2 4.24Å; K125-L176 WeakPolarHBondContact O-CA 3.37Å; K125-H177 PolarHBondContact N-O 2.87Å; K125-H177 PolarHBondContact O-N 3.23Å |
| 126 | E | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.8 | 170.4 | -179.2 | 174.4 | -123.3 | 0 | 0 | 109.1 | I128 V156 N157 H174 R175 L176 | E126-I128 HydrophobicContact CG-CG1 4.05Å; E126-V156 CarbonylContact O-C 3.56Å; E126-V156 WeakPolarHBondContact O-CA 3.46Å; E126-N157 PolarHBondContact N-O 3.18Å; E126-N157 PolarHBondContact O-N 2.92Å; E126-H174 HydrophobicContact CG-CB 4.45Å; E126-H174 IonicContact OE1-CE1 2.69Å; E126-H174 IonicContact OE1-ND1 3.57Å; E126-H174 PolarHBondContact OE1-ND1 2.99Å; E126-R175 WeakPolarHBondContact CA-O 3.32Å; E126-L176 HydrophobicContact CB-CD2 3.71Å; E126-L176 HydrophobicContact CG-CD2 3.75Å |
| 127 | T | 98.7 | Very high | 96.5 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.6 | 171.5 | -54.1 | 0 | 0 | 0 | 0 | 108.1 | Y129 V153 V156 H174 R175 | T127-Y129 HydrophobicContact CG2-CD2 4.19Å; T127-Y129 HydrophobicContact CG2-CE1 4.2Å; T127-Y129 HydrophobicContact CG2-CE2 3.48Å; T127-Y129 VanDerWaalsContact CG2-CE2 3.48Å; T127-Y129 VanDerWaalsContact CG2-CZ 3.49Å; T127-Y129 WeakPolarHBondContact O-CD2 3.34Å; T127-Y129 WeakPolarHBondContact O-CE2 3.41Å; T127-V153 HydrophobicContact CG2-CG1 3.91Å; T127-V153 HydrophobicContact CG2-CG2 4.08Å; T127-V156 HydrophobicContact CG2-CG2 4.02Å; T127-H174 CarbonylContact O-C 3.58Å; T127-H174 WeakPolarHBondContact O-CA 3.49Å; T127-H174 WeakPolarHBondContact O-CB 2.96Å; T127-R175 PolarHBondContact N-O 2.56Å; T127-R175 PolarHBondContact O-N 2.81Å |
| 128 | I | 98.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.8 | 178 | -55.5 | 179.2 | 0 | 0 | 0 | 107.8 | E126 K154 S155 M167 I173 H174 | E126-I128 HydrophobicContact CG-CG1 4.05Å; I128-K154 HydrophobicContact CG2-CB 4.36Å; I128-K154 HydrophobicContact CG2-CD 4.19Å; I128-K154 WeakPolarHBondContact O-CB 3.41Å; I128-K154 PolarHBondContact O-N 2.99Å; I128-S155 PolarHBondContact N-O 3.1Å; I128-S155 PolarHBondContact O-N 3.32Å; I128-M167 HydrophobicContact CD1-SD 4.17Å; I128-M167 HydrophobicContact CG1-SD 4.46Å; I128-M167 HydrophobicContact CG2-CE 4.01Å; I128-I173 WeakPolarHBondContact CA-O 3.26Å; I128-H174 HydrophobicContact CG1-CB 4.24Å |
| 129 | Y | 98.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 151.2 | 178.1 | -56.2 | -104.3 | 0 | 0 | 0 | 109.6 | I107 T127 L151 V152 V153 I173 R175 E203 | I107-Y129 HydrophobicContact CD1-CD1 4.39Å; I107-Y129 HydrophobicContact CD1-CD2 4.2Å; I107-Y129 HydrophobicContact CD1-CE1 3.86Å; I107-Y129 HydrophobicContact CD1-CE2 3.67Å; I107-Y129 VanDerWaalsContact CD1-CZ 3.47Å; I107-Y129 HydrophobicContact CG1-CD2 4.26Å; I107-Y129 HydrophobicContact CG1-CE2 3.72Å; I107-Y129 HydrophobicContact CG2-CD2 3.74Å; I107-Y129 HydrophobicContact CG2-CE2 4.08Å; I107-Y129 HydrophobicContact CG2-CG 4.31Å; T127-Y129 HydrophobicContact CG2-CD2 4.19Å; T127-Y129 HydrophobicContact CG2-CE1 4.2Å; T127-Y129 HydrophobicContact CG2-CE2 3.48Å; T127-Y129 VanDerWaalsContact CG2-CE2 3.48Å; T127-Y129 VanDerWaalsContact CG2-CZ 3.49Å; T127-Y129 WeakPolarHBondContact O-CD2 3.34Å; T127-Y129 WeakPolarHBondContact O-CE2 3.41Å; Y129-L151 HydrophobicContact CD1-CB 3.66Å; Y129-L151 HydrophobicContact CD1-CD1 4.49Å; Y129-L151 HydrophobicContact CE1-CB 4.28Å; Y129-L151 HydrophobicContact CG-CB 4.34Å; Y129-V152 CarbonylContact C-O 3.58Å; Y129-V152 WeakPolarHBondContact CA-O 3.28Å; Y129-V152 WeakPolarHBondContact CB-O 3.49Å; Y129-V153 HydrophobicContact CD1-CG2 3.91Å; Y129-V153 HydrophobicContact CE1-CG2 3.57Å; Y129-I173 PolarHBondContact N-O 3.08Å; Y129-I173 PolarHBondContact O-N 2.96Å; Y129-I173 VanDerWaalsContact O-N 3.16Å; Y129-R175 HydrophobicContact CE2-CB 4.19Å; Y129-E203 HydrophobicContact CE1-CG 4.29Å; Y129-E203 PolarHBondContact OH-OE1 2.74Å |
| 130 | D | 97.5 | Very high | 94.6 | Very high | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 155.4 | 164.7 | -71.2 | -47.1 | 0 | 0 | 0 | 110.4 | V152 K154 | D130-V152 PolarHBondContact N-O 3Å; D130-K154 WeakPolarHBondContact OD1-CD 3.31Å; D130-K154 IonicContact OD1-NZ 3.51Å |
| 131 | W | 96.2 | Very high | 94.1 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141 | 171.6 | -71.1 | 100.2 | 0 | 0 | 0 | 110.9 | D109 K133 F135 P137 D169 I173 F201 | D109-W131 HydrophobicContact CB-CH2 3.54Å; D109-W131 HydrophobicContact CB-CZ2 4.43Å; D109-W131 HydrophobicContact CB-CZ3 4.24Å; W131-K133 PolarHBondContact O-N 3Å; W131-F135 AromaticContact CE3-CD1 3.43Å; W131-F135 HydrophobicContact CE3-CD1 3.43Å; W131-F135 VanDerWaalsContact CE3-CD1 3.43Å; W131-F135 AromaticContact CE3-CE1 3.85Å; W131-F135 HydrophobicContact CE3-CE1 3.85Å; W131-F135 HydrophobicContact CE3-CG 4.43Å; W131-F135 HydrophobicContact CH2-CE1 4.17Å; W131-F135 AromaticContact CZ3-CD1 3.43Å; W131-F135 HydrophobicContact CZ3-CD1 3.43Å; W131-F135 VanDerWaalsContact CZ3-CD1 3.43Å; W131-F135 AromaticContact CZ3-CE1 3.3Å; W131-F135 HydrophobicContact CZ3-CE1 3.3Å; W131-F135 HydrophobicContact CZ3-CZ 4.4Å; W131-P137 HydrophobicContact CD2-CB 3.97Å; W131-P137 HydrophobicContact CD2-CG 4.23Å; W131-P137 HydrophobicContact CE3-CB 4.12Å; W131-P137 HydrophobicContact CG-CG 4.49Å; W131-P137 HydrophobicContact CH2-CB 3.7Å; W131-P137 HydrophobicContact CZ2-CB 3.59Å; W131-P137 HydrophobicContact CZ2-CG 4.49Å; W131-P137 HydrophobicContact CZ3-CB 3.98Å; W131-D169 VanDerWaalsContact CE2-O 3.26Å; W131-D169 HydrophobicContact CH2-CB 4.33Å; W131-D169 HydrophobicContact CZ2-CB 3.7Å; W131-D169 VanDerWaalsContact CZ2-O 3.29Å; W131-D169 WeakPolarHBondContact CZ2-O 3.44Å; W131-D169 PolarHBondContact NE1-O 2.94Å; W131-I173 HydrophobicContact CD2-CG2 3.96Å; W131-I173 HydrophobicContact CE3-CG2 3.62Å; W131-I173 HydrophobicContact CH2-CG2 3.36Å; W131-I173 HydrophobicContact CZ2-CG2 3.64Å; W131-I173 HydrophobicContact CZ3-CG2 3.32Å; W131-F201 HydrophobicContact CE3-CE1 4.42Å; W131-F201 HydrophobicContact CE3-CZ 4.23Å; W131-F201 HydrophobicContact CZ3-CE1 4.22Å; W131-F201 HydrophobicContact CZ3-CE2 4.25Å; W131-F201 AromaticContact CZ3-CZ 3.61Å; W131-F201 HydrophobicContact CZ3-CZ 3.61Å |
| 132 | P | 94.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 7% | 0.065 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 138.2 | 166.9 | 1.1 | 2.8 | 0 | 0 | 0 | 110.6 | H134 F135 L151 F201 | P132-H134 WeakPolarHBondContact CB-CE1 3.42Å; P132-H134 WeakPolarHBondContact CB-ND1 3.39Å; P132-H134 PolarHBondContact O-N 2.88Å; P132-H134 VanDerWaalsContact O-N 3.14Å; P132-F135 HydrophobicContact CB-CB 4.14Å; P132-F135 HydrophobicContact CG-CB 3.75Å; P132-F135 PolarHBondContact O-N 3.05Å; P132-L151 HydrophobicContact CB-CD2 4.2Å; P132-L151 HydrophobicContact CG-CD2 3.85Å; P132-F201 HydrophobicContact CG-CD1 3.79Å; P132-F201 HydrophobicContact CG-CE1 3.96Å |
| 133 | K | 92 | Very high | 92.9 | Very high | 211 Ų | 211 | 60.8 Ų | 60.8 | 92% | 0.917 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.1 | -177.4 | -68.1 | -176.1 | 179.8 | 178.6 | 0 | 113.5 | W131 F135 | W131-K133 PolarHBondContact O-N 3Å; K133-F135 VanDerWaalsContact C-N 3.33Å |
| 134 | H | 91.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.046 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.7 | 179.2 | 67.1 | -73.3 | 0 | 0 | 0 | 113.4 | P132 N142 S143 T144 E146 S206 | P132-H134 WeakPolarHBondContact CB-CE1 3.42Å; P132-H134 WeakPolarHBondContact CB-ND1 3.39Å; P132-H134 PolarHBondContact O-N 2.88Å; P132-H134 VanDerWaalsContact O-N 3.14Å; H134-N142 PolarHBondContact CD2-OD1 2.85Å; H134-N142 PolarHBondContact NE2-OD1 2.97Å; H134-N142 CarbonylContact O-C 3.6Å; H134-N142 VanDerWaalsContact O-C 3.31Å; H134-N142 VanDerWaalsContact O-CA 3.23Å; H134-N142 WeakPolarHBondContact O-CA 3.46Å; H134-S143 PolarHBondContact O-N 2.84Å; H134-S143 PolarHBondContact O-OG 2.85Å; H134-T144 WeakPolarHBondContact CB-OG1 3.28Å; H134-E146 PolarHBondContact ND1-O 3.46Å; H134-S206 PolarHBondContact CE1-O 2.82Å; H134-S206 PolarHBondContact CE1-OG 3.4Å; H134-S206 PolarHBondContact NE2-O 2.8Å |
| 135 | F | 93.7 | Very high | 91.4 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 4% | 0.044 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.6 | -178.3 | -170.3 | -93.1 | 0 | 0 | 0 | 110.9 | W131 P132 K133 P137 N142 M199 F201 T208 | W131-F135 AromaticContact CE3-CD1 3.43Å; W131-F135 HydrophobicContact CE3-CD1 3.43Å; W131-F135 VanDerWaalsContact CE3-CD1 3.43Å; W131-F135 AromaticContact CE3-CE1 3.85Å; W131-F135 HydrophobicContact CE3-CE1 3.85Å; W131-F135 HydrophobicContact CE3-CG 4.43Å; W131-F135 HydrophobicContact CH2-CE1 4.17Å; W131-F135 AromaticContact CZ3-CD1 3.43Å; W131-F135 HydrophobicContact CZ3-CD1 3.43Å; W131-F135 VanDerWaalsContact CZ3-CD1 3.43Å; W131-F135 AromaticContact CZ3-CE1 3.3Å; W131-F135 HydrophobicContact CZ3-CE1 3.3Å; W131-F135 HydrophobicContact CZ3-CZ 4.4Å; P132-F135 HydrophobicContact CB-CB 4.14Å; P132-F135 HydrophobicContact CG-CB 3.75Å; P132-F135 PolarHBondContact O-N 3.05Å; K133-F135 VanDerWaalsContact C-N 3.33Å; F135-P137 HydrophobicContact CE1-CB 4.48Å; F135-P137 WeakPolarHBondContact O-CD 3.38Å; F135-N142 WeakPolarHBondContact CD2-OD1 3.35Å; F135-M199 HydrophobicContact CE2-CE 4.2Å; F135-M199 HydrophobicContact CE2-CG 4.44Å; F135-M199 HydrophobicContact CZ-CB 4.35Å; F135-M199 HydrophobicContact CZ-CG 3.94Å; F135-F201 HydrophobicContact CD1-CE1 4.06Å; F135-F201 HydrophobicContact CD1-CZ 4.19Å; F135-F201 AromaticContact CD2-CE1 3.97Å; F135-F201 HydrophobicContact CD2-CE1 3.97Å; F135-F201 HydrophobicContact CD2-CZ 4.48Å; F135-F201 HydrophobicContact CE1-CE1 4.19Å; F135-F201 AromaticContact CE1-CZ 3.9Å; F135-F201 HydrophobicContact CE1-CZ 3.9Å; F135-F201 HydrophobicContact CE2-CE1 4.13Å; F135-F201 HydrophobicContact CE2-CZ 4.22Å; F135-F201 AromaticContact CG-CE1 3.93Å; F135-F201 HydrophobicContact CG-CE1 3.93Å; F135-F201 HydrophobicContact CG-CZ 4.45Å; F135-F201 HydrophobicContact CZ-CE1 4.22Å; F135-F201 AromaticContact CZ-CZ 3.91Å; F135-F201 HydrophobicContact CZ-CZ 3.91Å; F135-T208 HydrophobicContact CD2-CG2 3.78Å; F135-T208 HydrophobicContact CE2-CG2 4.1Å |
| 136 | N | 91.6 | Very high | 90.6 | Very high | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.4 | 172.2 | -175.5 | -18.6 | 0 | 0 | 0 | 109.8 | E138 S140 Y141 | N136-E138 VanDerWaalsContact C-N 3.33Å; N136-E138 PolarHBondContact O-N 2.83Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 PolarHBondContact OD1-N 2.87Å; N136-S140 WeakPolarHBondContact O-CA 3.43Å; N136-S140 PolarHBondContact O-N 3.48Å; N136-Y141 PolarHBondContact N-O 2.8Å; N136-Y141 PolarHBondContact O-N 2.69Å |
| 137 | P | 90.8 | Very high | 89.8 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.5 | -179.3 | 27.3 | -34.5 | 0 | 0 | 0 | 114 | W131 F135 N139 | W131-P137 HydrophobicContact CD2-CB 3.97Å; W131-P137 HydrophobicContact CD2-CG 4.23Å; W131-P137 HydrophobicContact CE3-CB 4.12Å; W131-P137 HydrophobicContact CG-CG 4.49Å; W131-P137 HydrophobicContact CH2-CB 3.7Å; W131-P137 HydrophobicContact CZ2-CB 3.59Å; W131-P137 HydrophobicContact CZ2-CG 4.49Å; W131-P137 HydrophobicContact CZ3-CB 3.98Å; F135-P137 HydrophobicContact CE1-CB 4.48Å; F135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-N139 VanDerWaalsContact C-N 3.28Å; P137-N139 PolarHBondContact O-N 3.3Å |
| 138 | E | 85.9 | Confident | 89.3 | Confident | 170 Ų | 170 | 73.9 Ų | 73.9 | 79% | 0.794 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -33.7 | -178.2 | -62.7 | -173.4 | 161.6 | 0 | 0 | 112.4 | N136 | N136-E138 VanDerWaalsContact C-N 3.33Å; N136-E138 PolarHBondContact O-N 2.83Å; N136-E138 WeakPolarHBondContact OD1-CB 3.44Å; N136-E138 PolarHBondContact OD1-N 2.87Å |
| 139 | N | 82.8 | Confident | 89 | Confident | 120 Ų | 120 | 79.1 Ų | 79.1 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 5.4 | -177.4 | -62.5 | -49.5 | 0 | 0 | 0 | 113.3 | P137 Y141 | P137-N139 VanDerWaalsContact C-N 3.28Å; P137-N139 PolarHBondContact O-N 3.3Å; N139-Y141 VanDerWaalsContact C-N 3.31Å; N139-Y141 PolarHBondContact O-N 3.41Å |
| 140 | S | 86.6 | Confident | 88.8 | Confident | 52 Ų | 52 | 83.4 Ų | 83.4 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.2 | -177.2 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | N136 | N136-S140 WeakPolarHBondContact O-CA 3.43Å; N136-S140 PolarHBondContact O-N 3.48Å |
| 141 | Y | 87 | Confident | 88.8 | Confident | 152 Ų | 152 | 81 Ų | 81 | 60% | 0.596 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145 | -171.2 | 168.2 | -105.6 | 0 | 0 | 0 | 112.5 | N136 N139 S143 | N136-Y141 PolarHBondContact N-O 2.8Å; N136-Y141 PolarHBondContact O-N 2.69Å; N139-Y141 VanDerWaalsContact C-N 3.31Å; N139-Y141 PolarHBondContact O-N 3.41Å; Y141-S143 PolarHBondContact O-N 2.9Å |
| 142 | N | 87 | Confident | 88.9 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 108 | 172 | -70.3 | -39.6 | 0 | 0 | 0 | 110.2 | H134 F135 T144 T208 | H134-N142 PolarHBondContact CD2-OD1 2.85Å; H134-N142 PolarHBondContact NE2-OD1 2.97Å; H134-N142 CarbonylContact O-C 3.6Å; H134-N142 VanDerWaalsContact O-C 3.31Å; H134-N142 VanDerWaalsContact O-CA 3.23Å; H134-N142 WeakPolarHBondContact O-CA 3.46Å; F135-N142 WeakPolarHBondContact CD2-OD1 3.35Å; N142-T144 PolarHBondContact O-N 3.41Å; N142-T144 VanDerWaalsContact O-N 3.16Å; N142-T208 PolarHBondContact ND2-OG1 3.37Å |
| 143 | S | 84.3 | Confident | 89 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 47% | 0.469 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -60.1 | -22.4 | 175.1 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | H134 Y141 | H134-S143 PolarHBondContact O-N 2.84Å; H134-S143 PolarHBondContact O-OG 2.85Å; Y141-S143 PolarHBondContact O-N 2.9Å |
| 144 | T | 85 | Confident | 89.3 | Confident | 54 Ų | 54 | 81 Ų | 81 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -148.3 | 159.4 | 177.1 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | H134 N142 E146 | H134-T144 WeakPolarHBondContact CB-OG1 3.28Å; N142-T144 PolarHBondContact O-N 3.41Å; N142-T144 VanDerWaalsContact O-N 3.16Å; T144-E146 PolarHBondContact O-N 3.14Å |
| 145 | D | 80.6 | Confident | 89.7 | Confident | 155 Ų | 155 | 82.5 Ų | 82.5 | 83% | 0.829 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -78.7 | 5.3 | 171.8 | -65.7 | -36.8 | 0 | 0 | 0 | 113.6 | T147 | D145-T147 PolarHBondContact O-N 3.49Š|
| 146 | E | 80 | Confident | 89.9 | Confident | 131 Ų | 131 | 85.5 Ų | 85.5 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | trans | -66.5 | 73.3 | 178.2 | -64.1 | -171.9 | 177.4 | 0 | 0 | 112.2 | H134 T144 | H134-E146 PolarHBondContact ND1-O 3.46Å; T144-E146 PolarHBondContact O-N 3.14Å | ||
| 147 | T | 82.9 | Confident | 90.2 | Very high | 31 Ų | 31 | 86.4 Ų | 86.4 | 19% | 0.19 | 46% | 0.462 | C | S | . | . | trans | -96.3 | -170.9 | 168.7 | 61.6 | 0 | 0 | 0 | 0 | 109.4 | D145 T205 R207 | D145-T147 PolarHBondContact O-N 3.49Å; T147-T205 CarbonylContact C-O 3.49Å; T147-R207 HydrophobicContact CG2-CG 4.03Å | ||
| 148 | N | 88.2 | Confident | 90.5 | Very high | 108 Ų | 108 | 88.1 Ų | 88.1 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | trans | 75.8 | 27.2 | -174.7 | -52.1 | -50.1 | 0 | 0 | 0 | 115.6 | T205 | N148-T205 WeakPolarHBondContact CA-O 3.27Å; N148-T205 PolarHBondContact N-O 2.57Å | ||
| 149 | F | 91.3 | Very high | 91.1 | Very high | 124 Ų | 124 | 80.5 Ų | 80.5 | 54% | 0.544 | 44% | 0.437 | S | S | . | . | trans | -113.3 | 138.3 | 165.6 | -57.5 | -78.6 | 0 | 0 | 0 | 109.8 | S204 T205 S206 | F149-S204 CarbonylContact C-O 3.53Å; F149-T205 PolarHBondContact N-O 3.37Å; F149-T205 CarbonylContact O-C 3.58Å; F149-S206 VanDerWaalsContact O-CB 3.31Å; F149-S206 WeakPolarHBondContact O-CB 3.48Å; F149-S206 PolarHBondContact O-N 2.95Å; F149-S206 VanDerWaalsContact O-N 3.17Å; F149-S206 PolarHBondContact O-OG 2.93Å | ||
| 150 | P | 95.8 | Very high | 91.8 | Very high | 93 Ų | 93 | 81.8 Ų | 81.8 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 145.9 | 175.1 | 28.3 | -34.1 | 0 | 0 | 0 | 110.6 | E203 S204 | P150-E203 CarbonylContact C-O 3.18Å; P150-E203 VanDerWaalsContact CA-O 3.27Å; P150-E203 WeakPolarHBondContact CA-O 3.15Å; P150-S204 WeakPolarHBondContact CA-O 3.45Å |
| 151 | L | 97.2 | Very high | 92.3 | Very high | 18 Ų | 18 | 83 Ų | 83 | 9% | 0.094 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145 | 172.2 | -64 | 175.4 | 0 | 0 | 0 | 110.6 | I107 Y129 P132 I173 F201 E203 | I107-L151 HydrophobicContact CB-CD1 4.33Å; I107-L151 HydrophobicContact CD1-CD1 3.59Å; I107-L151 HydrophobicContact CG2-CD1 3.93Å; Y129-L151 HydrophobicContact CD1-CB 3.66Å; Y129-L151 HydrophobicContact CD1-CD1 4.49Å; Y129-L151 HydrophobicContact CE1-CB 4.28Å; Y129-L151 HydrophobicContact CG-CB 4.34Å; P132-L151 HydrophobicContact CB-CD2 4.2Å; P132-L151 HydrophobicContact CG-CD2 3.85Å; L151-I173 HydrophobicContact CD1-CD1 4.11Å; L151-I173 HydrophobicContact CD2-CD1 4.36Å; L151-F201 HydrophobicContact CD1-CB 3.83Å; L151-E203 PolarHBondContact N-O 3.45Å |
| 152 | V | 97.6 | Very high | 92.8 | Very high | 91 Ų | 91 | 76.9 Ų | 76.9 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 122.3 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | Y129 D130 K154 | Y129-V152 CarbonylContact C-O 3.58Å; Y129-V152 WeakPolarHBondContact CA-O 3.28Å; Y129-V152 WeakPolarHBondContact CB-O 3.49Å; D130-V152 PolarHBondContact N-O 3Å; V152-K154 PolarHBondContact O-N 2.52Å |
| 153 | V | 98.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 79.4 Ų | 79.4 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.1 | 173.3 | 176.4 | 0 | 0 | 0 | 0 | 109 | T127 Y129 V156 | T127-V153 HydrophobicContact CG2-CG1 3.91Å; T127-V153 HydrophobicContact CG2-CG2 4.08Å; Y129-V153 HydrophobicContact CD1-CG2 3.91Å; Y129-V153 HydrophobicContact CE1-CG2 3.57Å; V153-V156 HydrophobicContact CG1-CG2 3.86Å |
| 154 | K | 98.1 | Very high | 93.9 | Very high | 109 Ų | 109 | 77.5 Ų | 77.5 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -44.8 | 176 | -174.1 | 179.8 | -171.4 | 159.8 | 0 | 111.5 | I128 D130 V152 V171 | I128-K154 HydrophobicContact CG2-CB 4.36Å; I128-K154 HydrophobicContact CG2-CD 4.19Å; I128-K154 WeakPolarHBondContact O-CB 3.41Å; I128-K154 PolarHBondContact O-N 2.99Å; D130-K154 WeakPolarHBondContact OD1-CD 3.31Å; D130-K154 IonicContact OD1-NZ 3.51Å; V152-K154 PolarHBondContact O-N 2.52Å; K154-V171 PolarHBondContact NZ-O 2.91Å |
| 155 | S | 98.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 76 Ų | 76 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 157.8 | 178.6 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | I128 | I128-S155 PolarHBondContact N-O 3.1Å; I128-S155 PolarHBondContact O-N 3.32Å |
| 156 | V | 98.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 44% | 0.442 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | K125 E126 T127 V153 | K125-V156 HydrophobicContact CD-CG1 4.31Å; K125-V156 HydrophobicContact CG-CG1 4.07Å; E126-V156 CarbonylContact O-C 3.56Å; E126-V156 WeakPolarHBondContact O-CA 3.46Å; T127-V156 HydrophobicContact CG2-CG2 4.02Å; V153-V156 HydrophobicContact CG1-CG2 3.86Å |
| 157 | N | 97.8 | Very high | 96 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148 | -178.9 | -59.7 | -41 | 0 | 0 | 0 | 110.5 | K125 E126 | K125-N157 WeakPolarHBondContact CA-O 3.43Å; E126-N157 PolarHBondContact N-O 3.18Å; E126-N157 PolarHBondContact O-N 2.92Å |
| 158 | V | 98.2 | Very high | 96.6 | Very high | 77 Ų | 77 | 64.3 Ų | 64.3 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | trans | -129.5 | 81.2 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 108 | K125 | K125-V158 HydrophobicContact CB-CG2 4.27Å; K125-V158 HydrophobicContact CG-CG2 4.24Å | ||
| 159 | P | 97.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.065 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.5 | 179 | 24.4 | -36.1 | 0 | 0 | 0 | 112.1 | I119 I124 E163 T165 | I119-P159 HydrophobicContact CD1-CB 4.49Å; I119-P159 HydrophobicContact CD1-CG 3.83Å; I119-P159 HydrophobicContact CG1-CB 3.78Å; I119-P159 HydrophobicContact CG1-CG 3.65Å; I124-P159 WeakPolarHBondContact O-CD 3.09Å; P159-E163 WeakPolarHBondContact CA-OE2 3.2Å; P159-E163 HydrophobicContact CB-CB 4.07Å; P159-T165 HydrophobicContact CB-CG2 4.05Å; P159-T165 HydrophobicContact CG-CG2 3.86Å |
| 160 | K | 97.4 | Very high | 97 | Very high | 147 Ų | 147 | 59 Ų | 59 | 64% | 0.639 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 156.3 | 175.7 | -64.9 | 177.2 | -178.5 | 175.1 | 0 | 110.9 | G162 E163 | K160-G162 PolarHBondContact O-N 2.79Å; K160-E163 HydrophobicContact CB-CG 4.23Å; K160-E163 PolarHBondContact N-OE2 2.99Å; K160-E163 VanDerWaalsContact O-CB 3.3Å; K160-E163 WeakPolarHBondContact O-CB 3.4Å; K160-E163 PolarHBondContact O-N 2.86Å |
| 161 | P | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 57 Ų | 57 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 134 | 166.9 | -28.2 | 36 | 0 | 0 | 0 | 112 | I119 | I119-P161 HydrophobicContact CG2-CB 4.49Å; I119-P161 HydrophobicContact CG2-CG 4.3Å |
| 162 | G | 96.6 | Very high | 97 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 24% | 0.237 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -29.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K118 I119 K160 | K118-G162 PolarHBondContact NZ-O 2.84Å; I119-G162 PolarHBondContact O-N 3.35Å; K160-G162 PolarHBondContact O-N 2.79Å |
| 163 | E | 97.3 | Very high | 97 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 41% | 0.407 | 28% | 0.277 | S | S | . | . | trans | -72 | 154.2 | 179.8 | -62.5 | -176.9 | 157.5 | 0 | 0 | 112.4 | K118 I119 P159 K160 | K118-E163 WeakPolarHBondContact CA-O 3.11Å; I119-E163 PolarHBondContact N-O 2.94Å; P159-E163 WeakPolarHBondContact CA-OE2 3.2Å; P159-E163 HydrophobicContact CB-CB 4.07Å; K160-E163 HydrophobicContact CB-CG 4.23Å; K160-E163 PolarHBondContact N-OE2 2.99Å; K160-E163 VanDerWaalsContact O-CB 3.3Å; K160-E163 WeakPolarHBondContact O-CB 3.4Å; K160-E163 PolarHBondContact O-N 2.86Å | ||
| 164 | V | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 17% | 0.17 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.6 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L59 K60 F116 V117 K118 | L59-V164 HydrophobicContact CB-CG1 4.42Å; L59-V164 HydrophobicContact CB-CG2 3.89Å; K60-V164 HydrophobicContact CB-CG2 3.9Å; F116-V164 HydrophobicContact CB-CG1 4.37Å; V117-V164 CarbonylContact O-C 3.6Å; V117-V164 VanDerWaalsContact O-CA 3.29Å; V117-V164 WeakPolarHBondContact O-CA 3.21Å; K118-V164 HydrophobicContact CB-CG2 3.95Å; K118-V164 HydrophobicContact CG-CG2 3.98Å |
| 165 | T | 97.3 | Very high | 97 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 158.8 | 167 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | F116 V117 P159 | F116-T165 WeakPolarHBondContact CA-O 3.41Å; V117-T165 PolarHBondContact N-O 2.81Å; V117-T165 PolarHBondContact O-N 3.03Å; P159-T165 HydrophobicContact CB-CG2 4.05Å; P159-T165 HydrophobicContact CG-CG2 3.86Å |
| 166 | Y | 96.8 | Very high | 97 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.9 | 178.4 | 167.2 | -94.9 | 0 | 0 | 0 | 109.1 | I52 D114 C115 F116 H168 V171 | I52-Y166 HydrophobicContact CD1-CE2 3.96Å; D114-Y166 HydrophobicContact CB-CE2 4.01Å; D114-Y166 WeakPolarHBondContact OD1-CE2 3.31Å; D114-Y166 PolarHBondContact OD1-OH 2.86Å; C115-Y166 CarbonylContact O-C 3.5Å; C115-Y166 WeakPolarHBondContact O-CA 3.33Å; F116-Y166 HydrophobicContact CD1-CD2 4.01Å; F116-Y166 AromaticContact CE1-CD2 3.71Å; F116-Y166 HydrophobicContact CE1-CD2 3.71Å; F116-Y166 HydrophobicContact CE1-CE2 4.29Å; F116-Y166 AromaticContact CZ-CD2 4Å; F116-Y166 HydrophobicContact CZ-CD2 4Å; F116-Y166 HydrophobicContact CZ-CE2 4.15Å; Y166-H168 HydrophobicContact CE1-CB 4.1Å; Y166-H168 WeakPolarHBondContact OH-CB 3.32Å; Y166-V171 HydrophobicContact CE1-CG2 4.39Å |
| 167 | M | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.5 | 175.8 | -163.3 | 62.7 | -167.7 | 0 | 0 | 110.2 | H110 C115 I128 V171 G172 | H110-M167 VanDerWaalsContact CE1-CG 3.47Å; H110-M167 WeakPolarHBondContact CE1-CG 3.31Å; C115-M167 HydrophobicContact CB-CB 4.23Å; C115-M167 WeakPolarHBondContact CB-O 3.4Å; C115-M167 PolarHBondContact N-O 3.29Å; C115-M167 PolarHBondContact O-N 3.24Å; I128-M167 HydrophobicContact CD1-SD 4.17Å; I128-M167 HydrophobicContact CG1-SD 4.46Å; I128-M167 HydrophobicContact CG2-CE 4.01Å; M167-V171 HydrophobicContact CE-CB 3.86Å; M167-V171 HydrophobicContact CE-CG1 3.99Å; M167-V171 HydrophobicContact SD-CB 3.92Å; M167-V171 HydrophobicContact SD-CG1 3.8Å; M167-G172 WeakPolarHBondContact CE-O 3.4Å |
| 168 | H | 95.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | trans | -149.9 | 157.1 | 170.3 | 176 | -88.7 | 0 | 0 | 0 | 107.3 | Q11 G112 D114 Y166 K170 V171 | Q11-H168 PolarHBondContact NE2-CE1 2.53Å; Q11-H168 PolarHBondContact NE2-NE2 3.13Å; G112-H168 PolarHBondContact O-NE2 3.39Å; D114-H168 IonicContact OD2-CD2 3.19Å; Y166-H168 HydrophobicContact CE1-CB 4.1Å; Y166-H168 WeakPolarHBondContact OH-CB 3.32Å; H168-K170 WeakPolarHBondContact ND1-CB 3.44Å; H168-K170 PolarHBondContact ND1-N 2.78Å; H168-K170 PolarHBondContact O-N 2.7Å; H168-V171 WeakPolarHBondContact O-CA 3.01Å; H168-V171 VanDerWaalsContact O-CB 3.29Å; H168-V171 WeakPolarHBondContact O-CB 3.39Å; H168-V171 PolarHBondContact O-N 2.73Å | ||
| 169 | D | 95 | Very high | 97.1 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.6 | -175.5 | -70.4 | -8.5 | 0 | 0 | 0 | 113.5 | H110 A111 G112 W131 V171 | H110-D169 PolarHBondContact N-OD1 2.92Å; H110-D169 IonicContact ND1-OD1 3.32Å; A111-D169 PolarHBondContact N-OD2 3.23Å; G112-D169 PolarHBondContact N-OD2 3.47Å; W131-D169 VanDerWaalsContact CE2-O 3.26Å; W131-D169 HydrophobicContact CH2-CB 4.33Å; W131-D169 HydrophobicContact CZ2-CB 3.7Å; W131-D169 VanDerWaalsContact CZ2-O 3.29Å; W131-D169 WeakPolarHBondContact CZ2-O 3.44Å; W131-D169 PolarHBondContact NE1-O 2.94Å; D169-V171 VanDerWaalsContact C-N 3.28Å; D169-V171 PolarHBondContact O-N 2.95Å |
| 170 | K | 93.4 | Very high | 97.1 | Very high | 110 Ų | 110 | 39.3 Ų | 39.3 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.8 | 171.7 | -68.2 | 166.5 | -179 | 170.1 | 0 | 113.9 | M9 Q11 H168 | M9-K170 HydrophobicContact CE-CB 3.53Å; M9-K170 HydrophobicContact CE-CD 3.34Å; M9-K170 HydrophobicContact CE-CG 4.06Å; M9-K170 HydrophobicContact CG-CD 4.21Å; M9-K170 HydrophobicContact SD-CB 4.2Å; M9-K170 HydrophobicContact SD-CD 3.17Å; M9-K170 WeakPolarHBondContact SD-CD 3.29Å; M9-K170 HydrophobicContact SD-CG 4.33Å; Q11-K170 VanDerWaalsContact NE2-NZ 3.13Å; H168-K170 WeakPolarHBondContact ND1-CB 3.44Å; H168-K170 PolarHBondContact ND1-N 2.78Å; H168-K170 PolarHBondContact O-N 2.7Å |
| 171 | V | 94.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -41 | 174.5 | -179 | 0 | 0 | 0 | 0 | 110.7 | K154 Y166 M167 H168 D169 | K154-V171 PolarHBondContact NZ-O 2.91Å; Y166-V171 HydrophobicContact CE1-CG2 4.39Å; M167-V171 HydrophobicContact CE-CB 3.86Å; M167-V171 HydrophobicContact CE-CG1 3.99Å; M167-V171 HydrophobicContact SD-CB 3.92Å; M167-V171 HydrophobicContact SD-CG1 3.8Å; H168-V171 WeakPolarHBondContact O-CA 3.01Å; H168-V171 VanDerWaalsContact O-CB 3.29Å; H168-V171 WeakPolarHBondContact O-CB 3.39Å; H168-V171 PolarHBondContact O-N 2.73Å; D169-V171 VanDerWaalsContact C-N 3.28Å; D169-V171 PolarHBondContact O-N 2.95Å |
| 172 | G | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 154 | -152.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M167 | M167-G172 WeakPolarHBondContact CE-O 3.4Š| ||
| 173 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 158.5 | 168.9 | 58.6 | -173.9 | 0 | 0 | 0 | 109.2 | I107 H108 D109 I128 Y129 W131 L151 F201 | I107-I173 HydrophobicContact CG2-CB 4.19Å; I107-I173 HydrophobicContact CG2-CD1 3.67Å; I107-I173 HydrophobicContact CG2-CG1 3.69Å; H108-I173 WeakPolarHBondContact O-CA 3.13Å; H108-I173 WeakPolarHBondContact O-CB 3.05Å; D109-I173 HydrophobicContact CB-CG2 4.07Å; I128-I173 WeakPolarHBondContact CA-O 3.26Å; Y129-I173 PolarHBondContact N-O 3.08Å; Y129-I173 PolarHBondContact O-N 2.96Å; Y129-I173 VanDerWaalsContact O-N 3.16Å; W131-I173 HydrophobicContact CD2-CG2 3.96Å; W131-I173 HydrophobicContact CE3-CG2 3.62Å; W131-I173 HydrophobicContact CH2-CG2 3.36Å; W131-I173 HydrophobicContact CZ2-CG2 3.64Å; W131-I173 HydrophobicContact CZ3-CG2 3.32Å; L151-I173 HydrophobicContact CD1-CD1 4.11Å; L151-I173 HydrophobicContact CD2-CD1 4.36Å; I173-F201 HydrophobicContact CD1-CB 4.12Å; I173-F201 HydrophobicContact CD1-CD1 3.96Å; I173-F201 HydrophobicContact CD1-CD2 3.75Å; I173-F201 HydrophobicContact CD1-CE1 4.41Å; I173-F201 HydrophobicContact CD1-CE2 4.23Å; I173-F201 HydrophobicContact CD1-CG 3.66Å; I173-F201 HydrophobicContact CG2-CD2 4.28Å; I173-F201 HydrophobicContact CG2-CE2 3.86Å; I173-F201 HydrophobicContact CG2-CZ 4.26Å |
| 174 | H | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 163.7 | -176.8 | 77.3 | 173.3 | 0 | 0 | 0 | 115.3 | I107 H108 H110 E126 T127 I128 | I107-H174 CarbonylContact C-O 3.59Å; I107-H174 WeakPolarHBondContact CA-O 3.47Å; H108-H174 AromaticContact CE1-CD2 3.53Å; H108-H174 AromaticContact CE1-NE2 3.58Å; H108-H174 PolarHBondContact N-O 3.46Å; H108-H174 PolarHBondContact ND1-O 3.21Å; H108-H174 VanDerWaalsContact ND1-O 3.08Å; H108-H174 AromaticContact NE2-CD2 3.82Å; H108-H174 AromaticContact NE2-NE2 3.53Å; H108-H174 PolarHBondContact O-N 2.92Å; H110-H174 AromaticContact CE1-CD2 3.61Å; H110-H174 AromaticContact CE1-CE1 3.68Å; H110-H174 AromaticContact CE1-NE2 3.24Å; H110-H174 PolarHBondContact CE1-NE2 3.42Å; H110-H174 AromaticContact NE2-CE1 3.75Å; H110-H174 AromaticContact NE2-NE2 3.29Å; H110-H174 PolarHBondContact NE2-NE2 2.93Å; E126-H174 HydrophobicContact CG-CB 4.45Å; E126-H174 IonicContact OE1-CE1 2.69Å; E126-H174 IonicContact OE1-ND1 3.57Å; E126-H174 PolarHBondContact OE1-ND1 2.99Å; T127-H174 CarbonylContact O-C 3.58Å; T127-H174 WeakPolarHBondContact O-CA 3.49Å; T127-H174 WeakPolarHBondContact O-CB 2.96Å; I128-H174 HydrophobicContact CG1-CB 4.24Å |
| 175 | R | 98.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.1 | 165.8 | 177.1 | -178.7 | -68.5 | 160.4 | 3.3 | 109 | I107 E126 T127 Y129 E203 | I107-R175 HydrophobicContact CG1-CB 4.06Å; E126-R175 WeakPolarHBondContact CA-O 3.32Å; T127-R175 PolarHBondContact N-O 2.56Å; T127-R175 PolarHBondContact O-N 2.81Å; Y129-R175 HydrophobicContact CE2-CB 4.19Å; R175-E203 IonicContact CZ-OE2 2.73Å; R175-E203 IonicContact NH1-OE1 2.78Å; R175-E203 IonicContact NH1-OE2 2.77Å; R175-E203 PolarHBondContact NH1-OE2 3.41Å; R175-E203 IonicContact NH2-OE2 3.84Å; R175-E203 PolarHBondContact NH2-OE2 3.14Å |
| 176 | L | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.5 | 167.2 | -59.1 | 179.7 | 0 | 0 | 0 | 109.2 | W99 G104 T105 V117 I124 K125 E126 | W99-L176 HydrophobicContact CH2-CB 3.89Å; W99-L176 HydrophobicContact CH2-CD1 4.22Å; W99-L176 HydrophobicContact CZ2-CB 4.46Å; W99-L176 HydrophobicContact CZ2-CD1 4.29Å; W99-L176 HydrophobicContact CZ3-CB 4.38Å; G104-L176 CarbonylContact C-O 3.57Å; G104-L176 WeakPolarHBondContact CA-O 3.19Å; T105-L176 HydrophobicContact CG2-CB 4.16Å; T105-L176 PolarHBondContact N-O 3.18Å; T105-L176 PolarHBondContact OG1-N 3.36Å; T105-L176 PolarHBondContact OG1-O 2.91Å; V117-L176 HydrophobicContact CG2-CD1 4.4Å; I124-L176 HydrophobicContact CG2-CB 3.97Å; I124-L176 HydrophobicContact CG2-CD2 3.92Å; I124-L176 HydrophobicContact CG2-CG 4.44Å; K125-L176 WeakPolarHBondContact O-CA 3.37Å; E126-L176 HydrophobicContact CB-CD2 3.71Å; E126-L176 HydrophobicContact CG-CD2 3.75Å |
| 177 | H | 98.6 | Very high | 97.5 | Very high | 57 Ų | 57 | 36.7 Ų | 36.7 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 132.8 | -177.1 | 169.7 | 61.4 | 0 | 0 | 0 | 110.4 | E102 Q103 I124 K125 P179 | E102-H177 PolarHBondContact O-CE1 3.23Å; E102-H177 PolarHBondContact O-ND1 2.9Å; Q103-H177 CarbonylContact O-C 3.6Å; Q103-H177 WeakPolarHBondContact O-CA 3.31Å; Q103-H177 PolarHBondContact O-ND1 2.99Å; Q103-H177 VanDerWaalsContact O-ND1 3.13Å; I124-H177 CarbonylContact C-O 3.55Å; I124-H177 WeakPolarHBondContact CA-O 3.46Å; K125-H177 PolarHBondContact N-O 2.87Å; K125-H177 PolarHBondContact O-N 3.23Å; H177-P179 WeakPolarHBondContact NE2-CA 3.47Å; H177-P179 WeakPolarHBondContact O-CD 3.35Å |
| 178 | N | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -78.7 | 106.9 | 164.1 | 177.1 | 10.1 | 0 | 0 | 0 | 108.3 | W99 S100 E102 Q103 Q123 I124 S180 E183 A185 | W99-N178 HydrophobicContact CB-CB 4.02Å; S100-N178 PolarHBondContact O-ND2 3.45Å; E102-N178 CarbonylContact C-O 3.59Å; E102-N178 WeakPolarHBondContact CA-O 3.42Å; E102-N178 PolarHBondContact N-O 3.16Å; Q103-N178 PolarHBondContact O-N 3Å; Q123-N178 PolarHBondContact O-OD1 3.38Å; I124-N178 HydrophobicContact CD1-CB 4.14Å; N178-S180 PolarHBondContact O-N 2.8Å; N178-S180 VanDerWaalsContact OD1-CB 3.32Å; N178-S180 WeakPolarHBondContact OD1-CB 3.4Å; N178-S180 PolarHBondContact OD1-N 3.03Å; N178-S180 VanDerWaalsContact OD1-N 3.08Å; N178-E183 PolarHBondContact ND2-O 3.14Å; N178-A185 HydrophobicContact CB-CB 4.33Å | ||
| 179 | P | 98.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 31% | 0.312 | 18% | 0.183 | S | C | . | . | trans | -77.8 | -5.9 | -177.3 | 35.7 | -36.6 | 0 | 0 | 0 | 113.3 | Q123 H177 | Q123-P179 HydrophobicContact CB-CG 4.26Å; Q123-P179 WeakPolarHBondContact O-CD 3.24Å; H177-P179 WeakPolarHBondContact NE2-CA 3.47Å; H177-P179 WeakPolarHBondContact O-CD 3.35Å | ||
| 180 | S | 98.2 | Very high | 97.9 | Very high | 21 Ų | 21 | 36 Ų | 36 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | trans | -78.3 | 139.2 | -175.8 | -174 | 0 | 0 | 0 | 0 | 111.8 | E101 E102 N178 T182 E183 | E101-S180 CarbonylContact C-O 3.58Å; E101-S180 WeakPolarHBondContact CA-O 3.35Å; E101-S180 WeakPolarHBondContact CB-O 3.49Å; E102-S180 PolarHBondContact N-O 3.02Å; N178-S180 PolarHBondContact O-N 2.8Å; N178-S180 VanDerWaalsContact OD1-CB 3.32Å; N178-S180 WeakPolarHBondContact OD1-CB 3.4Å; N178-S180 PolarHBondContact OD1-N 3.03Å; N178-S180 VanDerWaalsContact OD1-N 3.08Å; S180-T182 PolarHBondContact OG-N 2.7Å; S180-E183 WeakPolarHBondContact CB-O 3.21Å; S180-E183 WeakPolarHBondContact OG-CB 3.23Å; S180-E183 PolarHBondContact OG-N 3.45Å | ||
| 181 | K | 97.7 | Very high | 98.1 | Very high | 155 Ų | 155 | 31.1 Ų | 31.1 | 67% | 0.674 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -89.7 | -9.6 | 173.6 | -61.5 | -170.4 | 173 | -175.2 | 0 | 113.7 | E102 | E102-K181 HydrophobicContact CG-CG 4.09Å; E102-K181 VanDerWaalsContact OE1-CE 3.3Å; E102-K181 WeakPolarHBondContact OE1-CE 3.09Å |
| 182 | T | 97.7 | Very high | 98.1 | Very high | 105 Ų | 105 | 28.8 Ų | 28.8 | 64% | 0.644 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -135.6 | -10.7 | -169.3 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | S180 | S180-T182 PolarHBondContact OG-N 2.7Š|
| 183 | E | 97.9 | Very high | 98 | Very high | 104 Ų | 104 | 29.2 Ų | 29.2 | 49% | 0.486 | 15% | 0.147 | S | C | . | . | trans | -127.5 | 139.7 | -174.9 | -65.7 | -67 | 151.3 | 0 | 0 | 110.7 | N178 S180 | N178-E183 PolarHBondContact ND2-O 3.14Å; S180-E183 WeakPolarHBondContact CB-O 3.21Å; S180-E183 WeakPolarHBondContact OG-CB 3.23Å; S180-E183 PolarHBondContact OG-N 3.45Å | ||
| 184 | T | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | trans | -77.7 | 157.2 | 169.4 | 58 | 0 | 0 | 0 | 0 | 111.4 | F75 W99 | F75-T184 HydrophobicContact CD1-CG2 4.08Å; F75-T184 HydrophobicContact CE1-CG2 3.83Å; F75-T184 HydrophobicContact CZ-CG2 4.31Å; W99-T184 CarbonylContact O-C 3.48Å; W99-T184 VanDerWaalsContact O-CA 3.29Å; W99-T184 WeakPolarHBondContact O-CA 3.34Å; W99-T184 WeakPolarHBondContact O-CB 3.47Å | ||
| 185 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W99 K121 Q123 I124 N178 | W99-A185 HydrophobicContact CB-CB 4.13Å; W99-A185 VanDerWaalsContact CD1-O 3.31Å; W99-A185 HydrophobicContact CG-CB 4.35Å; W99-A185 PolarHBondContact N-O 2.65Å; W99-A185 PolarHBondContact O-N 3.27Å; K121-A185 CarbonylContact O-C 3.57Å; K121-A185 VanDerWaalsContact O-CA 3.28Å; K121-A185 WeakPolarHBondContact O-CA 3.34Å; Q123-A185 WeakPolarHBondContact O-CB 3.5Å; I124-A185 HydrophobicContact CD1-CB 3.74Å; I124-A185 HydrophobicContact CG1-CB 4.14Å; N178-A185 HydrophobicContact CB-CB 4.33Å |
| 186 | I | 98.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.9 | 176.8 | -59.7 | 160.6 | 0 | 0 | 0 | 107.9 | F66 L73 F75 L96 L97 I120 K121 | F66-I186 HydrophobicContact CE2-CD1 3.83Å; F66-I186 HydrophobicContact CZ-CD1 3.53Å; L73-I186 HydrophobicContact CD1-CD1 4.45Å; L73-I186 HydrophobicContact CD2-CD1 3.45Å; L73-I186 VanDerWaalsContact CD2-CD1 3.45Å; L73-I186 HydrophobicContact CD2-CG1 3.98Å; L73-I186 HydrophobicContact CD2-CG2 4.24Å; F75-I186 HydrophobicContact CZ-CD1 4.2Å; F75-I186 HydrophobicContact CZ-CG1 3.79Å; L96-I186 HydrophobicContact CD1-CG2 3.56Å; L96-I186 HydrophobicContact CD2-CG2 3.93Å; L96-I186 HydrophobicContact CG-CG2 3.7Å; L97-I186 WeakPolarHBondContact O-CA 3.17Å; I120-I186 HydrophobicContact CB-CB 4.18Å; I120-I186 HydrophobicContact CB-CG2 3.95Å; I120-I186 WeakPolarHBondContact CB-O 3.48Å; I120-I186 HydrophobicContact CG1-CG2 4.32Å; I120-I186 HydrophobicContact CG2-CG2 4.22Å; I120-I186 PolarHBondContact N-O 2.84Å; K121-I186 HydrophobicContact CB-CB 4.2Å; K121-I186 HydrophobicContact CB-CD1 4.09Å; K121-I186 HydrophobicContact CB-CG1 4.42Å; K121-I186 HydrophobicContact CD-CD1 4.14Å; K121-I186 PolarHBondContact N-O 2.96Å; K121-I186 VanDerWaalsContact N-O 3.15Å; K121-I186 PolarHBondContact O-N 2.92Å |
| 187 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.6 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | L97 W99 V117 K118 I119 I124 H189 | L97-T187 WeakPolarHBondContact CB-OG1 3.29Å; L97-T187 PolarHBondContact N-O 3.21Å; L97-T187 PolarHBondContact O-N 2.75Å; W99-T187 PolarHBondContact NE1-OG1 3.2Å; V117-T187 HydrophobicContact CG1-CG2 4.11Å; K118-T187 CarbonylContact O-C 3.52Å; K118-T187 VanDerWaalsContact O-CA 3.22Å; K118-T187 WeakPolarHBondContact O-CA 3.32Å; K118-T187 WeakPolarHBondContact O-CB 3.5Å; I119-T187 HydrophobicContact CD1-CG2 3.62Å; I124-T187 HydrophobicContact CD1-CG2 4.43Å; I124-T187 HydrophobicContact CG1-CG2 3.59Å; T187-H189 WeakPolarHBondContact CB-NE2 3.36Å; T187-H189 PolarHBondContact OG1-CD2 2.8Å; T187-H189 PolarHBondContact OG1-NE2 3.22Å |
| 188 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.3 | 171.4 | -178.1 | 72.3 | 0 | 0 | 0 | 108.8 | L37 L59 W69 I85 L94 L95 L96 V117 K118 I120 | L37-L188 HydrophobicContact CD2-CD2 3.8Å; L59-L188 HydrophobicContact CD2-CD2 3.88Å; W69-L188 HydrophobicContact CH2-CD1 4.14Å; W69-L188 HydrophobicContact CH2-CD2 4.17Å; W69-L188 HydrophobicContact CZ3-CD1 4.01Å; I85-L188 HydrophobicContact CD1-CD1 3.57Å; L94-L188 HydrophobicContact CD1-CD1 3.75Å; L94-L188 HydrophobicContact CD1-CD2 4.21Å; L94-L188 HydrophobicContact CD1-CG 3.91Å; L94-L188 HydrophobicContact CD2-CD1 4.36Å; L94-L188 HydrophobicContact CG-CD1 3.91Å; L95-L188 WeakPolarHBondContact O-CA 3.31Å; L96-L188 HydrophobicContact CD1-CB 4.5Å; L96-L188 HydrophobicContact CD1-CD1 4.36Å; V117-L188 CarbonylContact C-O 3.56Å; V117-L188 WeakPolarHBondContact CA-O 3.41Å; K118-L188 HydrophobicContact CB-CB 4.22Å; K118-L188 PolarHBondContact N-O 2.91Å; K118-L188 PolarHBondContact O-N 2.78Å; I120-L188 HydrophobicContact CD1-CB 4.03Å; I120-L188 HydrophobicContact CG1-CB 4.06Å |
| 189 | H | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.3 | -177.7 | -72 | -120.8 | 0 | 0 | 0 | 109.7 | L94 L95 L97 F116 T187 Y191 | L94-H189 CarbonylContact C-O 3.55Å; L94-H189 WeakPolarHBondContact CA-O 3.2Å; L95-H189 PolarHBondContact N-O 2.89Å; L95-H189 PolarHBondContact O-N 3.41Å; L97-H189 HydrophobicContact CD1-CB 4.19Å; F116-H189 CarbonylContact O-C 3.56Å; F116-H189 VanDerWaalsContact O-CA 3.28Å; F116-H189 WeakPolarHBondContact O-CA 3.4Å; T187-H189 WeakPolarHBondContact CB-NE2 3.36Å; T187-H189 PolarHBondContact OG1-CD2 2.8Å; T187-H189 PolarHBondContact OG1-NE2 3.22Å; H189-Y191 HydrophobicContact CB-CE2 4.23Å; H189-Y191 AromaticContact ND1-CZ 3.73Å; H189-Y191 PolarHBondContact ND1-OH 2.97Å |
| 190 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.2 | 167.3 | -173.4 | 151.3 | 0 | 0 | 0 | 108.7 | I41 F45 V55 L59 Y92 N93 L94 C115 F116 C192 | I41-L190 HydrophobicContact CD1-CD1 4Å; I41-L190 HydrophobicContact CG2-CD1 3.82Å; F45-L190 HydrophobicContact CE2-CD1 4.02Å; F45-L190 HydrophobicContact CE2-CD2 4.22Å; F45-L190 HydrophobicContact CZ-CD1 4.38Å; F45-L190 HydrophobicContact CZ-CD2 3.74Å; V55-L190 HydrophobicContact CG1-CD1 4.14Å; V55-L190 HydrophobicContact CG1-CD2 4.31Å; L59-L190 HydrophobicContact CD1-CB 4.3Å; Y92-L190 HydrophobicContact CD2-CD1 4.18Å; Y92-L190 HydrophobicContact CD2-CG 4.27Å; N93-L190 WeakPolarHBondContact O-CA 3.44Å; L94-L190 HydrophobicContact CD1-CB 4.15Å; L94-L190 HydrophobicContact CD1-CD1 4.33Å; C115-L190 WeakPolarHBondContact CA-O 3.2Å; F116-L190 HydrophobicContact CB-CB 4.36Å; F116-L190 HydrophobicContact CD2-CB 4.3Å; F116-L190 HydrophobicContact CD2-CD2 3.75Å; F116-L190 HydrophobicContact CE2-CD2 4.05Å; F116-L190 PolarHBondContact N-O 3.27Å; F116-L190 PolarHBondContact O-N 3Å; L190-C192 HydrophobicContact CD2-CB 4.16Å |
| 191 | Y | 97 | Very high | 97 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.4 | 174.2 | -56.8 | -56.7 | 0 | 0 | 0 | 109.8 | R82 Y92 N93 L95 D114 C115 H189 Y195 | R82-Y191 PolarHBondContact NH1-OH 2.8Å; Y92-Y191 CarbonylContact C-O 3.55Å; Y92-Y191 WeakPolarHBondContact CA-O 3.27Å; Y92-Y191 WeakPolarHBondContact CB-O 3.17Å; N93-Y191 PolarHBondContact N-O 2.81Å; N93-Y191 PolarHBondContact O-N 2.74Å; L95-Y191 HydrophobicContact CD1-CD2 3.5Å; L95-Y191 VanDerWaalsContact CD1-CD2 3.5Å; L95-Y191 HydrophobicContact CD1-CE2 3.64Å; D114-Y191 CarbonylContact O-C 3.06Å; D114-Y191 WeakPolarHBondContact O-CA 3.37Å; C115-Y191 HydrophobicContact CB-CD1 3.9Å; C115-Y191 HydrophobicContact CB-CE1 4.01Å; C115-Y191 WeakPolarHBondContact SG-CE1 3.04Å; H189-Y191 HydrophobicContact CB-CE2 4.23Å; H189-Y191 AromaticContact ND1-CZ 3.73Å; H189-Y191 PolarHBondContact ND1-OH 2.97Å; Y191-Y195 AromaticContact CD1-CE1 3.76Å; Y191-Y195 HydrophobicContact CD1-CE1 3.76Å; Y191-Y195 HydrophobicContact CD2-CE1 4.21Å; Y191-Y195 HydrophobicContact CE1-CE1 4.29Å; Y191-Y195 AromaticContact CG-CE1 3.72Å; Y191-Y195 HydrophobicContact CG-CE1 3.72Å |
| 192 | C | 95.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 122.2 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | F45 K91 D114 L190 | F45-C192 HydrophobicContact CE1-CB 3.45Å; F45-C192 VanDerWaalsContact CE1-CB 3.45Å; F45-C192 HydrophobicContact CZ-CB 3.92Å; K91-C192 VanDerWaalsContact O-CB 3.26Å; K91-C192 WeakPolarHBondContact O-CB 3.42Å; D114-C192 PolarHBondContact N-O 2.83Å; D114-C192 PolarHBondContact O-N 3.46Å; L190-C192 HydrophobicContact CD2-CB 4.16Å |
| 193 | P | 94.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | S | Bend | cis | -62.6 | 164.5 | -9.2 | 27 | -35.7 | 0 | 0 | 0 | 113.3 | N15 I17 A113 | N15-P193 HydrophobicContact CB-CB 4.12Å; N15-P193 HydrophobicContact CB-CG 4.17Å; N15-P193 WeakPolarHBondContact ND2-CG 3.34Å; I17-P193 HydrophobicContact CD1-CB 3.88Å; A113-P193 WeakPolarHBondContact CB-O 3.28Å |
| 194 | P | 94.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | trans | -60.4 | 146.2 | 166.2 | -20.2 | 33.2 | 0 | 0 | 0 | 111.4 | G90 N93 | G90-P194 WeakPolarHBondContact O-CD 3.18Å; N93-P194 HydrophobicContact CB-CB 4.47Å | ||
| 195 | Y | 94.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | trans | -138.7 | 156.5 | 172.5 | 63.3 | -86.4 | 0 | 0 | 0 | 110.8 | H110 A111 A113 Y191 E197 V213 | H110-Y195 HydrophobicContact CB-CE1 4.38Å; H110-Y195 PolarHBondContact CD2-OH 3.36Å; A111-Y195 HydrophobicContact CB-CD2 4.24Å; A111-Y195 HydrophobicContact CB-CG 4.21Å; A113-Y195 HydrophobicContact CB-CD1 3.69Å; A113-Y195 HydrophobicContact CB-CE1 3.98Å; Y191-Y195 AromaticContact CD1-CE1 3.76Å; Y191-Y195 HydrophobicContact CD1-CE1 3.76Å; Y191-Y195 HydrophobicContact CD2-CE1 4.21Å; Y191-Y195 HydrophobicContact CE1-CE1 4.29Å; Y191-Y195 AromaticContact CG-CE1 3.72Å; Y191-Y195 HydrophobicContact CG-CE1 3.72Å; Y195-E197 VanDerWaalsContact CD2-O 3.27Å; Y195-E197 WeakPolarHBondContact CD2-O 3.26Å; Y195-V213 HydrophobicContact CD2-CG2 4Å; Y195-V213 HydrophobicContact CE2-CG2 3.79Å | ||
| 196 | T | 95 | Very high | 96.5 | Very high | 109 Ų | 109 | 28 Ų | 28 | 67% | 0.669 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -117.6 | -9 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | V213 | T196-V213 PolarHBondContact O-N 2.7Š|
| 197 | E | 95.6 | Very high | 96.4 | Very high | 78 Ų | 78 | 33.8 Ų | 33.8 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.8 | 179.7 | -59.1 | -172.7 | 142.3 | 0 | 0 | 109.5 | A111 Y195 K210 V211 | A111-E197 WeakPolarHBondContact CB-O 3.41Å; Y195-E197 VanDerWaalsContact CD2-O 3.27Å; Y195-E197 WeakPolarHBondContact CD2-O 3.26Å; E197-K210 HydrophobicContact CB-CD 4.47Å; E197-K210 HydrophobicContact CB-CG 4.42Å; E197-K210 WeakPolarHBondContact OE2-CD 3.47Å; E197-K210 IonicContact OE2-NZ 3.4Å; E197-K210 PolarHBondContact OE2-NZ 3.34Å; E197-V211 VanDerWaalsContact CA-O 3.27Å; E197-V211 WeakPolarHBondContact CA-O 3.49Å |
| 198 | S | 95.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 8% | 0.077 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 167.6 | 171.3 | 69.1 | 0 | 0 | 0 | 0 | 109.6 | D109 K210 V211 | D109-S198 WeakPolarHBondContact OD1-CA 3.33Å; D109-S198 VanDerWaalsContact OD1-CB 3.26Å; D109-S198 WeakPolarHBondContact OD1-CB 3.46Å; S198-K210 WeakPolarHBondContact O-CA 3.17Å; S198-V211 PolarHBondContact N-O 2.99Å; S198-V211 WeakPolarHBondContact O-CG2 3.38Å; S198-V211 PolarHBondContact O-N 2.96Å; S198-V211 VanDerWaalsContact OG-CG2 3.29Å; S198-V211 WeakPolarHBondContact OG-CG2 3.32Å |
| 199 | M | 96.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134.7 | 168.6 | -61.4 | -60.1 | -62.9 | 0 | 0 | 109.6 | H108 D109 F135 F201 K210 | H108-M199 WeakPolarHBondContact CA-O 3.41Å; H108-M199 WeakPolarHBondContact CB-O 3.42Å; D109-M199 PolarHBondContact N-O 3.18Å; D109-M199 PolarHBondContact OD1-N 2.81Å; D109-M199 WeakPolarHBondContact OD2-CB 3.39Å; D109-M199 WeakPolarHBondContact OD2-CG 3.41Å; F135-M199 HydrophobicContact CE2-CE 4.2Å; F135-M199 HydrophobicContact CE2-CG 4.44Å; F135-M199 HydrophobicContact CZ-CB 4.35Å; F135-M199 HydrophobicContact CZ-CG 3.94Å; M199-F201 HydrophobicContact CB-CE2 3.66Å; M199-F201 HydrophobicContact CB-CZ 3.68Å; M199-F201 WeakPolarHBondContact O-CE2 3.27Å; M199-K210 HydrophobicContact SD-CB 3.78Å; M199-K210 HydrophobicContact SD-CG 4.25Å |
| 200 | N | 96.7 | Very high | 95.8 | Very high | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 148.3 | 166.5 | -84 | 2.6 | 0 | 0 | 0 | 109.9 | I107 H108 T208 N209 V211 | I107-N200 CarbonylContact O-C 3.45Å; I107-N200 VanDerWaalsContact O-CA 3.28Å; I107-N200 WeakPolarHBondContact O-CA 3.49Å; H108-N200 WeakPolarHBondContact CB-OD1 3.24Å; N200-T208 CarbonylContact O-C 3.31Å; N200-T208 VanDerWaalsContact O-CA 3.24Å; N200-T208 WeakPolarHBondContact O-CA 3.31Å; N200-N209 WeakPolarHBondContact CB-OD1 3.29Å; N200-N209 PolarHBondContact N-O 3.17Å; N200-N209 PolarHBondContact O-N 3.14Å; N200-V211 HydrophobicContact CB-CG1 4.11Å; N200-V211 HydrophobicContact CB-CG2 4.46Å; N200-V211 WeakPolarHBondContact ND2-CG1 3.39Å |
| 201 | F | 97.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.5 | -177 | -56 | -100.9 | 0 | 0 | 0 | 109.9 | I107 D109 W131 P132 F135 L151 I173 M199 R207 T208 | I107-F201 HydrophobicContact CB-CB 4.26Å; I107-F201 HydrophobicContact CG2-CB 4.26Å; I107-F201 PolarHBondContact O-N 3.1Å; D109-F201 HydrophobicContact CB-CE2 4.29Å; W131-F201 HydrophobicContact CE3-CE1 4.42Å; W131-F201 HydrophobicContact CE3-CZ 4.23Å; W131-F201 HydrophobicContact CZ3-CE1 4.22Å; W131-F201 HydrophobicContact CZ3-CE2 4.25Å; W131-F201 AromaticContact CZ3-CZ 3.61Å; W131-F201 HydrophobicContact CZ3-CZ 3.61Å; P132-F201 HydrophobicContact CG-CD1 3.79Å; P132-F201 HydrophobicContact CG-CE1 3.96Å; F135-F201 HydrophobicContact CD1-CE1 4.06Å; F135-F201 HydrophobicContact CD1-CZ 4.19Å; F135-F201 AromaticContact CD2-CE1 3.97Å; F135-F201 HydrophobicContact CD2-CE1 3.97Å; F135-F201 HydrophobicContact CD2-CZ 4.48Å; F135-F201 HydrophobicContact CE1-CE1 4.19Å; F135-F201 AromaticContact CE1-CZ 3.9Å; F135-F201 HydrophobicContact CE1-CZ 3.9Å; F135-F201 HydrophobicContact CE2-CE1 4.13Å; F135-F201 HydrophobicContact CE2-CZ 4.22Å; F135-F201 AromaticContact CG-CE1 3.93Å; F135-F201 HydrophobicContact CG-CE1 3.93Å; F135-F201 HydrophobicContact CG-CZ 4.45Å; F135-F201 HydrophobicContact CZ-CE1 4.22Å; F135-F201 AromaticContact CZ-CZ 3.91Å; F135-F201 HydrophobicContact CZ-CZ 3.91Å; L151-F201 HydrophobicContact CD1-CB 3.83Å; I173-F201 HydrophobicContact CD1-CB 4.12Å; I173-F201 HydrophobicContact CD1-CD1 3.96Å; I173-F201 HydrophobicContact CD1-CD2 3.75Å; I173-F201 HydrophobicContact CD1-CE1 4.41Å; I173-F201 HydrophobicContact CD1-CE2 4.23Å; I173-F201 HydrophobicContact CD1-CG 3.66Å; I173-F201 HydrophobicContact CG2-CD2 4.28Å; I173-F201 HydrophobicContact CG2-CE2 3.86Å; I173-F201 HydrophobicContact CG2-CZ 4.26Å; M199-F201 HydrophobicContact CB-CE2 3.66Å; M199-F201 HydrophobicContact CB-CZ 3.68Å; M199-F201 WeakPolarHBondContact O-CE2 3.27Å; F201-R207 CarbonylContact C-O 3.54Å; F201-R207 WeakPolarHBondContact CA-O 3.46Å; F201-T208 HydrophobicContact CD1-CG2 3.45Å; F201-T208 VanDerWaalsContact CD1-CG2 3.45Å; F201-T208 HydrophobicContact CE1-CG2 3.44Å; F201-T208 VanDerWaalsContact CE1-CG2 3.44Å; F201-T208 HydrophobicContact CG-CG2 4.43Å; F201-T208 HydrophobicContact CZ-CG2 4.4Å |
| 202 | E | 96.9 | Very high | 95.6 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 34% | 0.341 | 27% | 0.269 | S | S | . | . | trans | -76.2 | 127.7 | 171.6 | -176.3 | 175 | -152.2 | 0 | 0 | 109.8 | S204 T205 S206 R207 | E202-S204 PolarHBondContact O-N 3.48Å; E202-T205 VanDerWaalsContact CD-OG1 3.27Å; E202-T205 WeakPolarHBondContact OE2-CG2 3.38Å; E202-T205 PolarHBondContact OE2-OG1 2.74Å; E202-S206 WeakPolarHBondContact O-CA 3.18Å; E202-S206 PolarHBondContact O-N 2.91Å; E202-R207 HydrophobicContact CB-CB 4.29Å; E202-R207 PolarHBondContact N-O 3.39Å; E202-R207 IonicContact OE1-NH2 2.85Å; E202-R207 PolarHBondContact OE1-NH2 3.42Å; E202-R207 IonicContact OE2-CZ 2.74Å; E202-R207 IonicContact OE2-NE 3.17Å; E202-R207 PolarHBondContact OE2-NE 2.82Å; E202-R207 IonicContact OE2-NH2 2.8Å; E202-R207 PolarHBondContact OE2-NH2 3.11Å | ||
| 203 | E | 97.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 53.1 Ų | 53.1 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -38.7 | -170.9 | -171.4 | 164.6 | -161.4 | 0 | 0 | 114 | I107 Y129 P150 L151 R175 | I107-E203 HydrophobicContact CD1-CB 3.59Å; I107-E203 HydrophobicContact CD1-CG 3.75Å; Y129-E203 HydrophobicContact CE1-CG 4.29Å; Y129-E203 PolarHBondContact OH-OE1 2.74Å; P150-E203 CarbonylContact C-O 3.18Å; P150-E203 VanDerWaalsContact CA-O 3.27Å; P150-E203 WeakPolarHBondContact CA-O 3.15Å; L151-E203 PolarHBondContact N-O 3.45Å; R175-E203 IonicContact CZ-OE2 2.73Å; R175-E203 IonicContact NH1-OE1 2.78Å; R175-E203 IonicContact NH1-OE2 2.77Å; R175-E203 PolarHBondContact NH1-OE2 3.41Å; R175-E203 IonicContact NH2-OE2 3.84Å; R175-E203 PolarHBondContact NH2-OE2 3.14Å |
| 204 | S | 96.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -26 | -174.2 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | F149 P150 E202 | F149-S204 CarbonylContact C-O 3.53Å; P150-S204 WeakPolarHBondContact CA-O 3.45Å; E202-S204 PolarHBondContact O-N 3.48Å |
| 205 | T | 95.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -11.7 | -172.3 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | T147 N148 F149 E202 R207 | T147-T205 CarbonylContact C-O 3.49Å; N148-T205 WeakPolarHBondContact CA-O 3.27Å; N148-T205 PolarHBondContact N-O 2.57Å; F149-T205 PolarHBondContact N-O 3.37Å; F149-T205 CarbonylContact O-C 3.58Å; E202-T205 VanDerWaalsContact CD-OG1 3.27Å; E202-T205 WeakPolarHBondContact OE2-CG2 3.38Å; E202-T205 PolarHBondContact OE2-OG1 2.74Å; T205-R207 PolarHBondContact O-N 2.77Å; T205-R207 VanDerWaalsContact O-N 3.11Å; T205-R207 WeakPolarHBondContact OG1-CB 3.45Å; T205-R207 VanDerWaalsContact OG1-CG 3.32Å; T205-R207 WeakPolarHBondContact OG1-CG 3.38Å; T205-R207 PolarHBondContact OG1-N 2.96Å; T205-R207 VanDerWaalsContact OG1-N 3.14Å; T205-R207 PolarHBondContact OG1-NE 2.82Å |
| 206 | S | 95.4 | Very high | 96 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | trans | 57.1 | 16.4 | -170.5 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | H134 F149 E202 | H134-S206 PolarHBondContact CE1-O 2.82Å; H134-S206 PolarHBondContact CE1-OG 3.4Å; H134-S206 PolarHBondContact NE2-O 2.8Å; F149-S206 VanDerWaalsContact O-CB 3.31Å; F149-S206 WeakPolarHBondContact O-CB 3.48Å; F149-S206 PolarHBondContact O-N 2.95Å; F149-S206 VanDerWaalsContact O-N 3.17Å; F149-S206 PolarHBondContact O-OG 2.93Å; E202-S206 WeakPolarHBondContact O-CA 3.18Å; E202-S206 PolarHBondContact O-N 2.91Å | ||
| 207 | R | 94.7 | Very high | 96.1 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | trans | -61.8 | 140 | 171.8 | -75.4 | -173.1 | -64.2 | -154.9 | -1.6 | 110.2 | T147 F201 E202 T205 | T147-R207 HydrophobicContact CG2-CG 4.03Å; F201-R207 CarbonylContact C-O 3.54Å; F201-R207 WeakPolarHBondContact CA-O 3.46Å; E202-R207 HydrophobicContact CB-CB 4.29Å; E202-R207 PolarHBondContact N-O 3.39Å; E202-R207 IonicContact OE1-NH2 2.85Å; E202-R207 PolarHBondContact OE1-NH2 3.42Å; E202-R207 IonicContact OE2-CZ 2.74Å; E202-R207 IonicContact OE2-NE 3.17Å; E202-R207 PolarHBondContact OE2-NE 2.82Å; E202-R207 IonicContact OE2-NH2 2.8Å; E202-R207 PolarHBondContact OE2-NH2 3.11Å; T205-R207 PolarHBondContact O-N 2.77Å; T205-R207 VanDerWaalsContact O-N 3.11Å; T205-R207 WeakPolarHBondContact OG1-CB 3.45Å; T205-R207 VanDerWaalsContact OG1-CG 3.32Å; T205-R207 WeakPolarHBondContact OG1-CG 3.38Å; T205-R207 PolarHBondContact OG1-N 2.96Å; T205-R207 VanDerWaalsContact OG1-N 3.14Å; T205-R207 PolarHBondContact OG1-NE 2.82Å | ||
| 208 | T | 94.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.6 | -173.3 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | F135 N142 N200 F201 | F135-T208 HydrophobicContact CD2-CG2 3.78Å; F135-T208 HydrophobicContact CE2-CG2 4.1Å; N142-T208 PolarHBondContact ND2-OG1 3.37Å; N200-T208 CarbonylContact O-C 3.31Å; N200-T208 VanDerWaalsContact O-CA 3.24Å; N200-T208 WeakPolarHBondContact O-CA 3.31Å; F201-T208 HydrophobicContact CD1-CG2 3.45Å; F201-T208 VanDerWaalsContact CD1-CG2 3.45Å; F201-T208 HydrophobicContact CE1-CG2 3.44Å; F201-T208 VanDerWaalsContact CE1-CG2 3.44Å; F201-T208 HydrophobicContact CG-CG2 4.43Å; F201-T208 HydrophobicContact CZ-CG2 4.4Å |
| 209 | N | 94.1 | Very high | 96.4 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139.6 | 170.4 | 68.9 | -77.6 | 0 | 0 | 0 | 110.7 | N200 V211 | N200-N209 WeakPolarHBondContact CB-OD1 3.29Å; N200-N209 PolarHBondContact N-O 3.17Å; N200-N209 PolarHBondContact O-N 3.14Å; N209-V211 WeakPolarHBondContact ND2-CG1 3.49Å |
| 210 | K | 95.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 139.4 | 172 | -174.4 | 179.2 | -83.9 | -150.9 | 0 | 109.7 | E197 S198 M199 | E197-K210 HydrophobicContact CB-CD 4.47Å; E197-K210 HydrophobicContact CB-CG 4.42Å; E197-K210 WeakPolarHBondContact OE2-CD 3.47Å; E197-K210 IonicContact OE2-NZ 3.4Å; E197-K210 PolarHBondContact OE2-NZ 3.34Å; S198-K210 WeakPolarHBondContact O-CA 3.17Å; M199-K210 HydrophobicContact SD-CB 3.78Å; M199-K210 HydrophobicContact SD-CG 4.25Å |
| 211 | V | 95.7 | Very high | 96.5 | Very high | 35 Ų | 35 | 61.9 Ų | 61.9 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.3 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | E197 S198 N200 N209 | E197-V211 VanDerWaalsContact CA-O 3.27Å; E197-V211 WeakPolarHBondContact CA-O 3.49Å; S198-V211 PolarHBondContact N-O 2.99Å; S198-V211 WeakPolarHBondContact O-CG2 3.38Å; S198-V211 PolarHBondContact O-N 2.96Å; S198-V211 VanDerWaalsContact OG-CG2 3.29Å; S198-V211 WeakPolarHBondContact OG-CG2 3.32Å; N200-V211 HydrophobicContact CB-CG1 4.11Å; N200-V211 HydrophobicContact CB-CG2 4.46Å; N200-V211 WeakPolarHBondContact ND2-CG1 3.39Å; N209-V211 WeakPolarHBondContact ND2-CG1 3.49Å |
| 212 | N | 96.7 | Very high | 96.4 | Very high | 115 Ų | 115 | 64.6 Ų | 64.6 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.2 | 170.7 | -69.3 | -40.9 | 0 | 0 | 0 | 110.3 | I214 | N212-I214 PolarHBondContact O-N 2.82Å |
| 213 | V | 95 | Very high | 96.3 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | trans | -75.9 | 114 | 172.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | Y195 T196 I215 | Y195-V213 HydrophobicContact CD2-CG2 4Å; Y195-V213 HydrophobicContact CE2-CG2 3.79Å; T196-V213 PolarHBondContact O-N 2.7Å; V213-I215 HydrophobicContact CG1-CD1 4.49Å | ||
| 214 | I | 95.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | trans | -94.9 | 120.2 | -179.2 | -57.1 | 175.2 | 0 | 0 | 0 | 110 | N212 V224 | N212-I214 PolarHBondContact O-N 2.82Å; I214-V224 HydrophobicContact CG2-CG2 4.35Å | ||
| 215 | I | 97.6 | Very high | 95.7 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | trans | -87.2 | 122.4 | 171.1 | -56.5 | -59.1 | 0 | 0 | 0 | 109 | R82 L84 L95 V213 S217 K218 I223 V224 | R82-I215 HydrophobicContact CB-CD1 4.25Å; L84-I215 HydrophobicContact CB-CG2 4.05Å; L95-I215 HydrophobicContact CD2-CD1 3.46Å; L95-I215 VanDerWaalsContact CD2-CD1 3.46Å; V213-I215 HydrophobicContact CG1-CD1 4.49Å; I215-S217 WeakPolarHBondContact CG2-O 3.49Å; I215-K218 HydrophobicContact CG2-CG 3.76Å; I215-I223 HydrophobicContact CB-CD1 4.44Å; I215-I223 HydrophobicContact CG2-CD1 4.22Å; I215-V224 WeakPolarHBondContact O-CG2 3.24Å | ||
| 216 | H | 98 | Very high | 95.7 | Very high | 22 Ų | 22 | 70.4 Ų | 70.4 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | trans | -83.9 | -39.8 | -177.4 | -175.4 | 60.7 | 0 | 0 | 0 | 112.6 | T81 R82 I223 V224 | T81-H216 HydrophobicContact CG2-CB 4.25Å; R82-H216 PolarHBondContact O-N 3.4Å; H216-I223 WeakPolarHBondContact O-CG1 3.46Å; H216-I223 PolarHBondContact O-N 3.26Å; H216-V224 PolarHBondContact O-N 3.28Å | ||
| 217 | S | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.9 | 176.1 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | F74 N83 L84 I215 K221 | F74-S217 WeakPolarHBondContact CD2-OG 3.23Å; F74-S217 WeakPolarHBondContact CE2-OG 3.49Å; N83-S217 WeakPolarHBondContact CA-OG 3.49Å; N83-S217 WeakPolarHBondContact CB-OG 3.28Å; N83-S217 VanDerWaalsContact CG-OG 3.28Å; N83-S217 PolarHBondContact OD1-OG 3.31Å; L84-S217 PolarHBondContact N-O 3.2Å; I215-S217 WeakPolarHBondContact CG2-O 3.49Å; S217-K221 CarbonylContact C-O 3.43Å; S217-K221 WeakPolarHBondContact CA-O 3.44Å; S217-K221 WeakPolarHBondContact CB-O 3.14Å |
| 218 | K | 98.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 71.2 Ų | 71.2 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.4 | 172 | -66.6 | -171.7 | 175.5 | -170.5 | 0 | 109.9 | L84 I215 G220 K221 I223 | L84-K218 HydrophobicContact CB-CB 4.47Å; L84-K218 HydrophobicContact CB-CG 4.02Å; L84-K218 HydrophobicContact CD2-CD 3.97Å; L84-K218 HydrophobicContact CD2-CG 3.92Å; I215-K218 HydrophobicContact CG2-CG 3.76Å; K218-G220 PolarHBondContact O-N 3.21Å; K218-G220 VanDerWaalsContact O-N 3.1Å; K218-K221 PolarHBondContact N-O 3.03Å; K218-K221 PolarHBondContact O-N 2.95Å; K218-I223 HydrophobicContact CD-CD1 4.01Å; K218-I223 HydrophobicContact CG-CD1 3.81Å |
| 219 | Y | 97.8 | Very high | 95.9 | Very high | 97 Ų | 97 | 73.7 Ų | 73.7 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.1 | 172.8 | -44.5 | -51.2 | 0 | 0 | 0 | 113.7 | L84 I85 E87 | L84-Y219 HydrophobicContact CD2-CE1 4.32Å; L84-Y219 HydrophobicContact CG-CE1 4.4Å; L84-Y219 PolarHBondContact O-N 3.35Å; I85-Y219 WeakPolarHBondContact O-CD1 3.38Å; E87-Y219 WeakPolarHBondContact CB-OH 3.47Å; E87-Y219 VanDerWaalsContact CG-OH 3.31Å; E87-Y219 WeakPolarHBondContact CG-OH 3.5Å; E87-Y219 PolarHBondContact OE1-OH 2.73Å; E87-Y219 PolarHBondContact OE2-OH 3.37Å |
| 220 | G | 97.7 | Very high | 96 | Very high | 19 Ų | 19 | 73.1 Ų | 73.1 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 19.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K71 K218 | K71-G220 WeakPolarHBondContact O-CA 3.35Å; K218-G220 PolarHBondContact O-N 3.21Å; K218-G220 VanDerWaalsContact O-N 3.1Å |
| 221 | K | 97.7 | Very high | 96.1 | Very high | 156 Ų | 156 | 69.3 Ų | 69.3 | 68% | 0.678 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.3 | 174.9 | -61.5 | -178.1 | -178.1 | 179 | 0 | 110.3 | S217 K218 | S217-K221 CarbonylContact C-O 3.43Å; S217-K221 WeakPolarHBondContact CA-O 3.44Å; S217-K221 WeakPolarHBondContact CB-O 3.14Å; K218-K221 PolarHBondContact N-O 3.03Å; K218-K221 PolarHBondContact O-N 2.95Å |
| 222 | C | 96 | Very high | 96.1 | Very high | 64 Ų | 64 | 71.9 Ų | 71.9 | 43% | 0.432 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.7 | 174.9 | -158 | 0 | 0 | 0 | 0 | 110.5 | F74 V224 | F74-C222 HydrophobicContact CD1-CB 4.32Å; F74-C222 HydrophobicContact CE1-CB 4.03Å; C222-V224 PolarHBondContact SG-O 3.16Å |
| 223 | I | 95.6 | Very high | 96 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | trans | -128.3 | 1.5 | -179.3 | 60.6 | 158.5 | 0 | 0 | 0 | 113.4 | I215 H216 K218 | I215-I223 HydrophobicContact CB-CD1 4.44Å; I215-I223 HydrophobicContact CG2-CD1 4.22Å; H216-I223 WeakPolarHBondContact O-CG1 3.46Å; H216-I223 PolarHBondContact O-N 3.26Å; K218-I223 HydrophobicContact CD-CD1 4.01Å; K218-I223 HydrophobicContact CG-CD1 3.81Å | ||
| 224 | V | 84.8 | Confident | 96.1 | Very high | 120 Ų | 120 | 71.9 Ų | 71.9 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | trans | -126.8 | 0 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | I214 I215 H216 C222 | I214-V224 HydrophobicContact CG2-CG2 4.35Å; I215-V224 WeakPolarHBondContact O-CG2 3.24Å; H216-V224 PolarHBondContact O-N 3.28Å; C222-V224 PolarHBondContact SG-O 3.16Å |
Retrieved 224 of 224 residues in 91.6 ms
(Link to these results)