| 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 | K | 62.7 | Low | 77.7 | Confident | 228 Ų | 228 | 113.8 Ų | 113.8 | 99% | 0.991 | 55% | 0.547 | S | S | * | . | 0 | 125.7 | 0 | -83.1 | 179.1 | 175.5 | 174.5 | 0 | 108 | Y3 | K1-Y3 HydrophobicContact CB-CE2 4.28Å; K1-Y3 WeakPolarHBondContact O-CE2 3.36Å | |||
| 2 | M | 79.9 | Confident | 78 | Confident | 159 Ų | 159 | 116.9 Ų | 116.9 | 78% | 0.783 | 56% | 0.556 | S | S | * | * | trans | -88.5 | 138.6 | 171.5 | -75.7 | -174.4 | 159.3 | 0 | 0 | 109.2 | Y4 | M2-Y4 HydrophobicContact CB-CE2 3.9Å; M2-Y4 PolarHBondContact SD-OH 3.35Å | ||
| 3 | Y | 82.8 | Confident | 78.2 | Confident | 73 Ų | 73 | 117.5 Ų | 117.5 | 29% | 0.286 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 142.7 | 179.9 | -57 | -87.8 | 0 | 0 | 0 | 109.2 | K1 A16 P18 Y22 | K1-Y3 HydrophobicContact CB-CE2 4.28Å; K1-Y3 WeakPolarHBondContact O-CE2 3.36Å; Y3-A16 WeakPolarHBondContact CB-O 3.29Å; Y3-A16 PolarHBondContact O-N 3.45Å; Y3-P18 HydrophobicContact CD1-CB 4.17Å; Y3-P18 HydrophobicContact CD2-CB 3.79Å; Y3-P18 HydrophobicContact CD2-CG 4.25Å; Y3-P18 HydrophobicContact CE1-CB 4.06Å; Y3-P18 HydrophobicContact CE2-CB 3.66Å; Y3-P18 HydrophobicContact CE2-CG 4.1Å; Y3-P18 HydrophobicContact CG-CB 4.05Å; Y3-Y22 HydrophobicContact CD1-CE2 4.13Å; Y3-Y22 AromaticContact CE1-CE2 3.98Å; Y3-Y22 HydrophobicContact CE1-CE2 3.98Å |
| 4 | Y | 80.1 | Confident | 78.6 | Confident | 127 Ų | 127 | 113.8 Ų | 113.8 | 50% | 0.498 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.7 | -175.7 | -57.5 | -83.7 | 0 | 0 | 0 | 110.3 | M2 T14 A21 | M2-Y4 HydrophobicContact CB-CE2 3.9Å; M2-Y4 PolarHBondContact SD-OH 3.35Å; Y4-T14 CarbonylContact C-O 3.54Å; Y4-T14 VanDerWaalsContact CA-O 3.29Å; Y4-T14 WeakPolarHBondContact CA-O 3.32Å; Y4-A21 WeakPolarHBondContact O-CB 3.43Å |
| 5 | K | 82.8 | Confident | 78.8 | Confident | 49 Ų | 49 | 110.5 Ų | 110.5 | 21% | 0.213 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.4 | 175.7 | -178.8 | -173.6 | -177.7 | -178 | 0 | 109.4 | L13 T14 A16 | K5-L13 WeakPolarHBondContact O-CA 3.39Å; K5-T14 PolarHBondContact N-O 3.49Å; K5-T14 PolarHBondContact O-N 3.45Å; K5-A16 HydrophobicContact CB-CB 3.7Å |
| 6 | F | 78.8 | Confident | 78.8 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.9 | 173.2 | -172.6 | -102.8 | 0 | 0 | 0 | 110.4 | Q11 L13 Q25 | F6-Q11 WeakPolarHBondContact CE2-O 3.42Å; F6-Q11 HydrophobicContact CZ-CB 4.1Å; F6-L13 HydrophobicContact CB-CD2 4.13Å; F6-L13 HydrophobicContact CD2-CD2 4.33Å; F6-L13 HydrophobicContact CD2-CG 4.43Å; F6-Q25 PolarHBondContact O-OE1 3.35Å |
| 7 | S | 76.6 | Confident | 78.8 | Confident | 22 Ų | 22 | 102.5 Ų | 102.5 | 15% | 0.154 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.6 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | F9 T10 Q11 K12 | S7-F9 PolarHBondContact O-N 2.84Å; S7-T10 VanDerWaalsContact CB-OG1 3.22Å; S7-T10 WeakPolarHBondContact CB-OG1 3.23Å; S7-T10 PolarHBondContact O-N 3.35Å; S7-T10 PolarHBondContact OG-N 3.27Å; S7-T10 PolarHBondContact OG-OG1 3.44Å; S7-Q11 WeakPolarHBondContact O-CA 3.26Å; S7-Q11 PolarHBondContact O-N 2.88Å; S7-K12 WeakPolarHBondContact CB-O 3.36Å; S7-K12 PolarHBondContact N-O 3.24Å |
| 8 | G | 74.9 | Confident | 78.5 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 54% | 0.536 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 9 | F | 75.3 | Confident | 78.1 | Confident | 199 Ų | 199 | 100.4 Ų | 100.4 | 87% | 0.873 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -41.1 | -179.8 | -175.1 | -103.5 | 0 | 0 | 0 | 112.5 | S7 | S7-F9 PolarHBondContact O-N 2.84Š|
| 10 | T | 79.9 | Confident | 77.7 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -5.2 | -178.6 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | S7 K12 | S7-T10 VanDerWaalsContact CB-OG1 3.22Å; S7-T10 WeakPolarHBondContact CB-OG1 3.23Å; S7-T10 PolarHBondContact O-N 3.35Å; S7-T10 PolarHBondContact OG-N 3.27Å; S7-T10 PolarHBondContact OG-OG1 3.44Å; T10-K12 PolarHBondContact O-N 3.48Å; T10-K12 VanDerWaalsContact O-N 3.14Å |
| 11 | Q | 80.9 | Confident | 77.5 | Confident | 153 Ų | 153 | 94 Ų | 94 | 72% | 0.715 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 30.8 | -174 | -61.1 | -172.7 | -6 | 0 | 0 | 114.1 | F6 S7 | F6-Q11 WeakPolarHBondContact CE2-O 3.42Å; F6-Q11 HydrophobicContact CZ-CB 4.1Å; S7-Q11 WeakPolarHBondContact O-CA 3.26Å; S7-Q11 PolarHBondContact O-N 2.88Å |
| 12 | K | 81.8 | Confident | 77.8 | Confident | 151 Ų | 151 | 91.5 Ų | 91.5 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154 | -179.7 | -71.5 | -176.9 | -179.8 | -175.4 | 0 | 111.4 | S7 T10 | S7-K12 WeakPolarHBondContact CB-O 3.36Å; S7-K12 PolarHBondContact N-O 3.24Å; T10-K12 PolarHBondContact O-N 3.48Å; T10-K12 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 80.3 | Confident | 77.2 | Confident | 124 Ų | 124 | 86.7 Ų | 86.7 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125 | 172.5 | -71.6 | 163.3 | 0 | 0 | 0 | 109.7 | K5 F6 | K5-L13 WeakPolarHBondContact O-CA 3.39Å; F6-L13 HydrophobicContact CB-CD2 4.13Å; F6-L13 HydrophobicContact CD2-CD2 4.33Å; F6-L13 HydrophobicContact CD2-CG 4.43Å |
| 14 | T | 83.3 | Confident | 76.3 | Confident | 66 Ų | 66 | 87.1 Ų | 87.1 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.7 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | Y4 K5 | Y4-T14 CarbonylContact C-O 3.54Å; Y4-T14 VanDerWaalsContact CA-O 3.29Å; Y4-T14 WeakPolarHBondContact CA-O 3.32Å; K5-T14 PolarHBondContact N-O 3.49Å; K5-T14 PolarHBondContact O-N 3.45Å |
| 15 | G | 82.6 | Confident | 75.5 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 67% | 0.67 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 16 | A | 78.1 | Confident | 74.5 | Confident | 29 Ų | 29 | 88.8 Ų | 88.8 | 24% | 0.24 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y3 K5 A20 | Y3-A16 WeakPolarHBondContact CB-O 3.29Å; Y3-A16 PolarHBondContact O-N 3.45Å; K5-A16 HydrophobicContact CB-CB 3.7Å; A16-A20 HydrophobicContact CB-CB 4.41Å |
| 17 | A | 78.4 | Confident | 73.2 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | trans | -66.1 | 149.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T19 A20 A21 | A17-T19 VanDerWaalsContact C-N 3.28Å; A17-T19 PolarHBondContact O-N 3.43Å; A17-A20 PolarHBondContact O-N 3.32Å; A17-A21 PolarHBondContact O-N 3.28Å; A17-A21 VanDerWaalsContact O-N 3.11Å | ||
| 18 | P | 74.3 | Confident | 72.5 | Confident | 58 Ų | 58 | 98.2 Ų | 98.2 | 38% | 0.377 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -52.7 | -43.7 | -176.4 | 15.3 | -28.5 | 0 | 0 | 0 | 113.1 | Y3 A20 A21 Y22 | Y3-P18 HydrophobicContact CD1-CB 4.17Å; Y3-P18 HydrophobicContact CD2-CB 3.79Å; Y3-P18 HydrophobicContact CD2-CG 4.25Å; Y3-P18 HydrophobicContact CE1-CB 4.06Å; Y3-P18 HydrophobicContact CE2-CB 3.66Å; Y3-P18 HydrophobicContact CE2-CG 4.1Å; Y3-P18 HydrophobicContact CG-CB 4.05Å; P18-A20 PolarHBondContact O-N 3.38Å; P18-A21 PolarHBondContact O-N 3.49Å; P18-Y22 WeakPolarHBondContact O-CD2 3.34Å; P18-Y22 PolarHBondContact O-N 2.99Å |
| 19 | T | 70.3 | Confident | 71.5 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -27.6 | -180 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | A17 N23 | A17-T19 VanDerWaalsContact C-N 3.28Å; A17-T19 PolarHBondContact O-N 3.43Å; T19-N23 PolarHBondContact O-ND2 3.49Å |
| 20 | A | 70.1 | Confident | 70.5 | Confident | 36 Ų | 36 | 98.9 Ų | 98.9 | 30% | 0.298 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -88.3 | -21.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A16 A17 P18 | A16-A20 HydrophobicContact CB-CB 4.41Å; A17-A20 PolarHBondContact O-N 3.32Å; P18-A20 PolarHBondContact O-N 3.38Å |
| 21 | A | 73.4 | Confident | 69.5 | Low | 31 Ų | 31 | 102.7 Ų | 102.7 | 26% | 0.256 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.2 | -31.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y4 A17 P18 | Y4-A21 WeakPolarHBondContact O-CB 3.43Å; A17-A21 PolarHBondContact O-N 3.28Å; A17-A21 VanDerWaalsContact O-N 3.11Å; P18-A21 PolarHBondContact O-N 3.49Å |
| 22 | Y | 68.6 | Low | 68.1 | Low | 175 Ų | 175 | 101.1 Ų | 101.1 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -90.4 | -2.8 | 179.7 | -62.5 | -67.5 | 0 | 0 | 0 | 114.4 | Y3 P18 | Y3-Y22 HydrophobicContact CD1-CE2 4.13Å; Y3-Y22 AromaticContact CE1-CE2 3.98Å; Y3-Y22 HydrophobicContact CE1-CE2 3.98Å; P18-Y22 WeakPolarHBondContact O-CD2 3.34Å; P18-Y22 PolarHBondContact O-N 2.99Å |
| 23 | N | 67.4 | Low | 66.9 | Low | 58 Ų | 58 | 98.6 Ų | 98.6 | 31% | 0.31 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -111.7 | 111 | 179.1 | -88.6 | -50.7 | 0 | 0 | 0 | 111.5 | T19 | T19-N23 PolarHBondContact O-ND2 3.49Š|
| 24 | P | 64.3 | Low | 65.9 | Low | 83 Ų | 83 | 100.8 Ų | 100.8 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | trans | -63.7 | 137 | -179 | 23.6 | -31.1 | 0 | 0 | 0 | 111.8 | G26 L27 | P24-G26 PolarHBondContact O-N 2.86Å; P24-G26 VanDerWaalsContact O-N 3.07Å; P24-L27 HydrophobicContact CG-CB 4.03Å; P24-L27 PolarHBondContact O-N 2.91Å | ||
| 25 | Q | 63.8 | Low | 64.4 | Low | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 106.2 | -176.5 | -148.9 | 161.2 | 18.8 | 0 | 0 | 109.1 | F6 | F6-Q25 PolarHBondContact O-OE1 3.35Š|
| 26 | G | 60.8 | Low | 63 | Low | 79 Ų | 79 | 104.8 Ų | 104.8 | 81% | 0.814 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.1 | -13.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | P24 | P24-G26 PolarHBondContact O-N 2.86Å; P24-G26 VanDerWaalsContact O-N 3.07Å |
| 27 | L | 53.1 | Low | 62 | Low | 133 Ų | 133 | 108.8 Ų | 108.8 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | trans | -107.4 | 101.7 | 166.5 | -98.1 | 86.8 | 0 | 0 | 0 | 108.5 | P24 Q29 | P24-L27 HydrophobicContact CG-CB 4.03Å; P24-L27 PolarHBondContact O-N 2.91Å; L27-Q29 PolarHBondContact O-N 3.04Å | ||
| 28 | K | 60.4 | Low | 60.6 | Low | 203 Ų | 203 | 115.2 Ų | 115.2 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | trans | -71.4 | 125.9 | 163.2 | -66.8 | -163.6 | 176.1 | -175.3 | 0 | 106.7 | S30 | K28-S30 PolarHBondContact O-N 2.96Š| ||
| 29 | Q | 54.1 | Low | 59.6 | Low | 159 Ų | 159 | 118.2 Ų | 118.2 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -51.4 | 108.4 | 168.4 | -81.7 | 176.7 | -43.6 | 0 | 0 | 107.1 | L27 L31 | L27-Q29 PolarHBondContact O-N 3.04Å; Q29-L31 PolarHBondContact O-N 3.4Å | ||
| 30 | S | 54.4 | Low | 59 | Low | 106 Ų | 106 | 123.9 Ų | 123.9 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | trans | -55.9 | 135.5 | 167.6 | 49.6 | 0 | 0 | 0 | 0 | 106.6 | K28 | K28-S30 PolarHBondContact O-N 2.96Š| ||
| 31 | L | 59.7 | Low | 58.5 | Low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 71% | 0.708 | S | S | * | * | trans | -43.1 | 148.9 | 164.6 | -68 | 163.7 | 0 | 0 | 0 | 109 | Q29 A33 | Q29-L31 PolarHBondContact O-N 3.4Å; L31-A33 PolarHBondContact O-N 3.26Å | ||
| 32 | P | 50.3 | Low | 57.5 | Low | 120 Ų | 120 | 130.4 Ų | 130.4 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -44.5 | 124.2 | 179.4 | -23.6 | 31.1 | 0 | 0 | 0 | 108.5 | E34 | P32-E34 PolarHBondContact O-N 3.26Š| ||
| 33 | A | 57.5 | Low | 56.7 | Low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -67.8 | 80.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | L31 S35 | L31-A33 PolarHBondContact O-N 3.26Å; A33-S35 PolarHBondContact O-N 2.86Å; A33-S35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | E | 59.1 | Low | 55.9 | Low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -59.2 | 112 | 158.5 | -170.4 | 173.5 | 177.2 | 0 | 0 | 104.7 | P32 P36 | P32-E34 PolarHBondContact O-N 3.26Å; E34-P36 WeakPolarHBondContact O-CD 3.46Å; E34-P36 VanDerWaalsContact O-N 3.07Å | ||
| 35 | S | 52.8 | Low | 55.3 | Low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.9 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 107.1 | A33 T37 | A33-S35 PolarHBondContact O-N 2.86Å; A33-S35 VanDerWaalsContact O-N 3.1Å; S35-T37 PolarHBondContact O-N 3.49Å; S35-T37 VanDerWaalsContact O-N 3.07Å |
| 36 | P | 53.2 | Low | 54.7 | Low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.5 | -179.2 | 22.7 | -31.1 | 0 | 0 | 0 | 107.5 | E34 M38 | E34-P36 WeakPolarHBondContact O-CD 3.46Å; E34-P36 VanDerWaalsContact O-N 3.07Å; P36-M38 PolarHBondContact O-N 3.43Å |
| 37 | T | 56.1 | Low | 53.9 | Low | 114 Ų | 114 | 137.9 Ų | 137.9 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 116.6 | 172.1 | -53.1 | 0 | 0 | 0 | 0 | 107.2 | S35 I39 | S35-T37 PolarHBondContact O-N 3.49Å; S35-T37 VanDerWaalsContact O-N 3.07Å; T37-I39 HydrophobicContact CG2-CD1 4.07Å; T37-I39 HydrophobicContact CG2-CG1 3.85Å; T37-I39 PolarHBondContact O-N 3.29Å |
| 38 | M | 48.4 | Very low | 54.1 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 88.9 | 176.6 | -79.7 | -169.6 | -67.4 | 0 | 0 | 108.8 | P36 | P36-M38 PolarHBondContact O-N 3.43Š| ||
| 39 | I | 54.2 | Low | 53.8 | Low | 121 Ų | 121 | 136.4 Ų | 136.4 | 62% | 0.621 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 113.7 | 164.2 | -50.4 | -173 | 0 | 0 | 0 | 105.7 | T37 A41 | T37-I39 HydrophobicContact CG2-CD1 4.07Å; T37-I39 HydrophobicContact CG2-CG1 3.85Å; T37-I39 PolarHBondContact O-N 3.29Å; I39-A41 PolarHBondContact O-N 2.91Å | ||
| 40 | F | 58 | Low | 53.8 | Low | 225 Ų | 225 | 130.3 Ų | 130.3 | 99% | 0.987 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 15.3 | -167.3 | -158.7 | -101.8 | 0 | 0 | 0 | 115.6 | ||
| 41 | A | 58.2 | Low | 53.7 | Low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.5 | 25.8 | -161.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | I39 | I39-A41 PolarHBondContact O-N 2.91Š|
| 42 | T | 53.2 | Low | 53.3 | Low | 118 Ų | 118 | 125.6 Ų | 125.6 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -112 | 128.6 | 166.6 | 45.5 | 0 | 0 | 0 | 0 | 112.1 | T44 | T42-T44 PolarHBondContact O-N 2.91Š| ||
| 43 | P | 50.9 | Low | 53.3 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -67.4 | 124.2 | 178 | 27.8 | -32.1 | 0 | 0 | 0 | 109.7 | K45 | P43-K45 PolarHBondContact O-N 2.88Š| ||
| 44 | T | 52.1 | Low | 53.1 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | trans | -52.4 | 120 | 170.6 | -51.1 | 0 | 0 | 0 | 0 | 109.2 | T42 V46 | T42-T44 PolarHBondContact O-N 2.91Å; T44-V46 WeakPolarHBondContact O-CG2 3.5Å; T44-V46 PolarHBondContact O-N 3.23Å | ||
| 45 | K | 51.3 | Low | 52.9 | Low | 197 Ų | 197 | 123.9 Ų | 123.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -59.9 | 102.4 | 170 | -173.3 | -168 | -179.5 | -176.6 | 0 | 108.1 | P43 V47 | P43-K45 PolarHBondContact O-N 2.88Å; K45-V47 PolarHBondContact O-N 3.26Å | ||
| 46 | V | 51.4 | Low | 53.2 | Low | 109 Ų | 109 | 129.3 Ų | 129.3 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | trans | -71.5 | 115.7 | 180 | -160.7 | 0 | 0 | 0 | 0 | 107.9 | T44 A50 | T44-V46 WeakPolarHBondContact O-CG2 3.5Å; T44-V46 PolarHBondContact O-N 3.23Å; V46-A50 HydrophobicContact CG1-CB 3.62Å | ||
| 47 | V | 44.6 | Very low | 54 | Low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | -63 | 137 | 169.1 | 169.5 | 0 | 0 | 0 | 0 | 108 | K45 E49 | K45-V47 PolarHBondContact O-N 3.26Å; V47-E49 PolarHBondContact O-N 3.03Å | ||
| 48 | S | 56.8 | Low | 55.2 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 88% | 0.881 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -56 | 41.3 | -165.2 | -163.1 | 0 | 0 | 0 | 0 | 118.7 | ||
| 49 | E | 53.6 | Low | 57.1 | Low | 180 Ų | 180 | 122.6 Ų | 122.6 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -131.3 | 29.9 | 174.3 | -154.8 | 179.7 | 169.3 | 0 | 0 | 111.9 | V47 | V47-E49 PolarHBondContact O-N 3.03Š| ||
| 50 | A | 54.1 | Low | 58.8 | Low | 30 Ų | 30 | 122.5 Ų | 122.5 | 25% | 0.248 | 71% | 0.711 | C | S | . | * | trans | -106.9 | 6.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V46 V54 | V46-A50 HydrophobicContact CG1-CB 3.62Å; A50-V54 HydrophobicContact CB-CG2 4.35Å; A50-V54 WeakPolarHBondContact O-CB 3.39Å; A50-V54 WeakPolarHBondContact O-CG2 3.48Å | ||
| 51 | G | 51.9 | Low | 60.5 | Low | 61 Ų | 61 | 118.7 Ų | 118.7 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -69.3 | -37 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 52 | S | 51.3 | Low | 62.3 | Low | 100 Ų | 100 | 118.4 Ų | 118.4 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.3 | -20.7 | -173.1 | 54.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 53 | T | 50.6 | Low | 64.3 | Low | 83 Ų | 83 | 115.6 Ų | 115.6 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -94.1 | -23.3 | -177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 54 | V | 52.7 | Low | 66.4 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 56% | 0.558 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.1 | -29.5 | -177.2 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | A50 Y56 | A50-V54 HydrophobicContact CB-CG2 4.35Å; A50-V54 WeakPolarHBondContact O-CB 3.39Å; A50-V54 WeakPolarHBondContact O-CG2 3.48Å; V54-Y56 VanDerWaalsContact C-N 3.34Å; V54-Y56 PolarHBondContact O-N 3.33Å |
| 55 | E | 55 | Low | 68.5 | Low | 179 Ų | 179 | 113 Ų | 113 | 84% | 0.836 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.6 | -26.7 | 176.5 | -81.3 | -171.2 | 147.3 | 0 | 0 | 113.6 | ||
| 56 | Y | 59.4 | Low | 70.6 | Confident | 210 Ų | 210 | 108.4 Ų | 108.4 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.1 | -25.5 | -179 | -172 | -103.1 | 0 | 0 | 0 | 113.4 | V54 | V54-Y56 VanDerWaalsContact C-N 3.34Å; V54-Y56 PolarHBondContact O-N 3.33Å |
| 57 | L | 70.7 | Confident | 72.8 | Confident | 145 Ų | 145 | 110.2 Ų | 110.2 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -99.6 | -4.1 | -171.6 | -72.8 | 163 | 0 | 0 | 0 | 114.2 | ||
| 58 | G | 81.8 | Confident | 75.2 | Confident | 49 Ų | 49 | 108.7 Ų | 108.7 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | trans | 69.8 | 164.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 59 | A | 87.9 | Confident | 77 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 72% | 0.719 | 58% | 0.581 | S | S | * | * | trans | -66.7 | 137.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K61 | A59-K61 PolarHBondContact O-N 2.9Š| ||
| 60 | N | 89.8 | Confident | 79 | Confident | 119 Ų | 119 | 105.5 Ų | 105.5 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -65.9 | 115.1 | 177.1 | -179 | 4.9 | 0 | 0 | 0 | 111.1 | V62 | N60-V62 VanDerWaalsContact OD1-CB 3.28Å; N60-V62 WeakPolarHBondContact OD1-CB 3.5Å; N60-V62 WeakPolarHBondContact OD1-CG2 3.24Å; N60-V62 PolarHBondContact OD1-N 3.45Å | ||
| 61 | K | 93.6 | Very high | 81 | Confident | 145 Ų | 145 | 107.1 Ų | 107.1 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | trans | -103.2 | 2.2 | 177.5 | -58.3 | -166.8 | 178.4 | -168.7 | 0 | 114.1 | A59 D64 L65 | A59-K61 PolarHBondContact O-N 2.9Å; K61-D64 PolarHBondContact O-N 3.43Å; K61-L65 WeakPolarHBondContact O-CG 3.37Å; K61-L65 PolarHBondContact O-N 2.97Å; K61-L65 VanDerWaalsContact O-N 3.08Å | ||
| 62 | V | 95.4 | Very high | 83 | Confident | 79 Ų | 79 | 110 Ų | 110 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.8 | -44.4 | -176.9 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | N60 D64 L65 Q66 | N60-V62 VanDerWaalsContact OD1-CB 3.28Å; N60-V62 WeakPolarHBondContact OD1-CB 3.5Å; N60-V62 WeakPolarHBondContact OD1-CG2 3.24Å; N60-V62 PolarHBondContact OD1-N 3.45Å; V62-D64 VanDerWaalsContact C-N 3.29Å; V62-D64 PolarHBondContact O-N 3.27Å; V62-L65 PolarHBondContact O-N 3.45Å; V62-Q66 HydrophobicContact CG1-CG 4.16Å; V62-Q66 WeakPolarHBondContact O-CB 3.32Å; V62-Q66 WeakPolarHBondContact O-CG 3.49Å; V62-Q66 PolarHBondContact O-N 3.37Å |
| 63 | P | 96 | Very high | 85 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.1 | -36.5 | 179.1 | -24.2 | 35.4 | 0 | 0 | 0 | 113.3 | K67 | P63-K67 WeakPolarHBondContact O-CG 3.44Å; P63-K67 PolarHBondContact O-N 3.29Å; P63-K67 VanDerWaalsContact O-N 3.1Å |
| 64 | D | 95.1 | Very high | 87.1 | Confident | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.7 | -41.7 | 179.7 | -59.7 | -32.4 | 0 | 0 | 0 | 111.2 | K61 V62 K67 F68 | K61-D64 PolarHBondContact O-N 3.43Å; V62-D64 VanDerWaalsContact C-N 3.29Å; V62-D64 PolarHBondContact O-N 3.27Å; D64-K67 PolarHBondContact O-N 2.93Å; D64-F68 WeakPolarHBondContact O-CB 3.45Å; D64-F68 PolarHBondContact O-N 3.12Å |
| 65 | L | 94.6 | Very high | 89.1 | Confident | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 174.9 | -67.3 | 172.4 | 0 | 0 | 0 | 111.3 | K61 V62 K67 F68 F69 | K61-L65 WeakPolarHBondContact O-CG 3.37Å; K61-L65 PolarHBondContact O-N 2.97Å; K61-L65 VanDerWaalsContact O-N 3.08Å; V62-L65 PolarHBondContact O-N 3.45Å; L65-K67 PolarHBondContact O-N 2.78Å; L65-F68 PolarHBondContact O-N 3.28Å; L65-F69 HydrophobicContact CD2-CE2 4.43Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.25Å; L65-F69 PolarHBondContact O-N 3.1Å |
| 66 | Q | 96.8 | Very high | 91 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.4 | -48.6 | 175.6 | -77.9 | 176.3 | -19.1 | 0 | 0 | 111.2 | V62 F68 F69 Q70 | V62-Q66 HydrophobicContact CG1-CG 4.16Å; V62-Q66 WeakPolarHBondContact O-CB 3.32Å; V62-Q66 WeakPolarHBondContact O-CG 3.49Å; V62-Q66 PolarHBondContact O-N 3.37Å; Q66-F68 VanDerWaalsContact C-N 3.33Å; Q66-F68 PolarHBondContact O-N 2.91Å; Q66-F69 PolarHBondContact O-N 2.92Å; Q66-Q70 WeakPolarHBondContact O-CB 3.26Å; Q66-Q70 WeakPolarHBondContact O-CG 3.39Å; Q66-Q70 PolarHBondContact O-N 2.99Å |
| 67 | K | 96 | Very high | 92.7 | Very high | 147 Ų | 147 | 98.7 Ų | 98.7 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -56.7 | -47.8 | 174.9 | -72.5 | 172.7 | -177.4 | 174.7 | 0 | 111.3 | P63 D64 L65 Q70 T71 | P63-K67 WeakPolarHBondContact O-CG 3.44Å; P63-K67 PolarHBondContact O-N 3.29Å; P63-K67 VanDerWaalsContact O-N 3.1Å; D64-K67 PolarHBondContact O-N 2.93Å; L65-K67 PolarHBondContact O-N 2.78Å; K67-Q70 PolarHBondContact O-N 3.31Å; K67-T71 PolarHBondContact O-N 2.97Å; K67-T71 PolarHBondContact O-OG1 2.94Å |
| 68 | F | 95.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 43% | 0.425 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.4 | -47.9 | -178.9 | 178.8 | -98.5 | 0 | 0 | 0 | 113.4 | D64 L65 Q66 T71 K80 | D64-F68 WeakPolarHBondContact O-CB 3.45Å; D64-F68 PolarHBondContact O-N 3.12Å; L65-F68 PolarHBondContact O-N 3.28Å; Q66-F68 VanDerWaalsContact C-N 3.33Å; Q66-F68 PolarHBondContact O-N 2.91Å; F68-T71 PolarHBondContact O-OG1 3.28Å; F68-K80 HydrophobicContact CE1-CG 4.22Å; F68-K80 VanDerWaalsContact CZ-O 3.32Å; F68-K80 WeakPolarHBondContact CZ-O 3.31Å; F68-K80 WeakPolarHBondContact O-CE 3.14Å |
| 69 | F | 95.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 96.3 Ų | 96.3 | 39% | 0.386 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.4 | -24.3 | -178.3 | -80.7 | -83.3 | 0 | 0 | 0 | 113 | L65 Q66 K80 | L65-F69 HydrophobicContact CD2-CE2 4.43Å; L65-F69 VanDerWaalsContact O-CD2 3.31Å; L65-F69 WeakPolarHBondContact O-CD2 3.25Å; L65-F69 PolarHBondContact O-N 3.1Å; Q66-F69 PolarHBondContact O-N 2.92Å; F69-K80 HydrophobicContact CD1-CB 3.96Å; F69-K80 HydrophobicContact CD1-CG 3.58Å; F69-K80 HydrophobicContact CE1-CB 3.85Å; F69-K80 HydrophobicContact CE1-CG 3.89Å; F69-K80 HydrophobicContact CG-CG 4.38Å |
| 70 | Q | 96.3 | Very high | 94.9 | Very high | 150 Ų | 150 | 92.9 Ų | 92.9 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -88.1 | -7.5 | 178.8 | -66.1 | 171.8 | 17.3 | 0 | 0 | 113.9 | Q66 K67 S72 | Q66-Q70 WeakPolarHBondContact O-CB 3.26Å; Q66-Q70 WeakPolarHBondContact O-CG 3.39Å; Q66-Q70 PolarHBondContact O-N 2.99Å; K67-Q70 PolarHBondContact O-N 3.31Å; Q70-S72 PolarHBondContact O-N 2.88Å |
| 71 | T | 95.2 | Very high | 95 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -56.6 | 132.1 | 175.4 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | K67 F68 D73 K80 | K67-T71 PolarHBondContact O-N 2.97Å; K67-T71 PolarHBondContact O-OG1 2.94Å; F68-T71 PolarHBondContact O-OG1 3.28Å; T71-D73 VanDerWaalsContact C-N 3.26Å; T71-D73 VanDerWaalsContact CB-OD2 3.31Å; T71-D73 WeakPolarHBondContact CB-OD2 3.26Å; T71-D73 WeakPolarHBondContact CG2-OD1 3.46Å; T71-D73 VanDerWaalsContact CG2-OD2 3.31Å; T71-D73 WeakPolarHBondContact CG2-OD2 3.43Å; T71-D73 PolarHBondContact O-N 3.48Å; T71-K80 PolarHBondContact O-NZ 3.43Å |
| 72 | S | 94.1 | Very high | 95.1 | Very high | 121 Ų | 121 | 89.8 Ų | 89.8 | 85% | 0.846 | 49% | 0.488 | S | S | * | . | trans | -80.8 | 58.3 | -175.3 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | Q70 | Q70-S72 PolarHBondContact O-N 2.88Š| ||
| 73 | D | 93.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 95.5 Ų | 95.5 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -90.4 | -2.2 | -177 | -49.5 | -51.2 | 0 | 0 | 0 | 113.7 | T71 I75 K80 | T71-D73 VanDerWaalsContact C-N 3.26Å; T71-D73 VanDerWaalsContact CB-OD2 3.31Å; T71-D73 WeakPolarHBondContact CB-OD2 3.26Å; T71-D73 WeakPolarHBondContact CG2-OD1 3.46Å; T71-D73 VanDerWaalsContact CG2-OD2 3.31Å; T71-D73 WeakPolarHBondContact CG2-OD2 3.43Å; T71-D73 PolarHBondContact O-N 3.48Å; D73-I75 HydrophobicContact CB-CD1 4.05Å; D73-I75 HydrophobicContact CB-CG1 4.06Å; D73-I75 PolarHBondContact O-N 3.35Å; D73-I75 VanDerWaalsContact O-N 3.12Å; D73-K80 IonicContact OD2-NZ 2.75Å; D73-K80 PolarHBondContact OD2-NZ 3Å |
| 74 | G | 93.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 84% | 0.835 | 51% | 0.507 | S | S | * | . | trans | 70 | 0.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 75 | I | 95.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 43% | 0.426 | 49% | 0.49 | S | S | . | . | trans | -75.3 | 130.4 | 177.9 | -57.2 | 171.3 | 0 | 0 | 0 | 109.6 | D73 L79 K80 | D73-I75 HydrophobicContact CB-CD1 4.05Å; D73-I75 HydrophobicContact CB-CG1 4.06Å; D73-I75 PolarHBondContact O-N 3.35Å; D73-I75 VanDerWaalsContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CB 4.18Å; I75-K80 HydrophobicContact CB-CD 4.29Å; I75-K80 HydrophobicContact CG2-CD 4.48Å | ||
| 76 | P | 94.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 92.9 Ų | 92.9 | 39% | 0.39 | 49% | 0.486 | S | S | . | . | trans | -66.1 | 149.1 | 177.7 | 28.9 | -36 | 0 | 0 | 0 | 111.7 | H78 L79 K80 | P76-H78 PolarHBondContact O-N 3.4Å; P76-H78 VanDerWaalsContact O-N 3.1Å; P76-L79 HydrophobicContact CG-CB 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.14Å; P76-L79 HydrophobicContact CG-CG 4.37Å; P76-L79 PolarHBondContact O-N 2.9Å; P76-K80 PolarHBondContact O-N 2.67Å | ||
| 77 | V | 95.8 | Very high | 95.3 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 68% | 0.679 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -55.9 | -34.3 | -172.1 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | L79 K80 | V77-L79 PolarHBondContact O-N 3Å; V77-K80 WeakPolarHBondContact O-CB 3.31Å; V77-K80 PolarHBondContact O-N 2.95Å |
| 78 | H | 94.1 | Very high | 95.4 | Very high | 107 Ų | 107 | 91.9 Ų | 91.9 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -77.3 | -3.8 | -178.7 | 66.2 | -90 | 0 | 0 | 0 | 114.2 | P76 D85 | P76-H78 PolarHBondContact O-N 3.4Å; P76-H78 VanDerWaalsContact O-N 3.1Å; H78-D85 WeakPolarHBondContact O-CB 3.32Å |
| 79 | L | 96.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 92.7 Ų | 92.7 | 20% | 0.199 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -122.9 | 6.6 | 173.3 | -60.3 | 178.3 | 0 | 0 | 0 | 112.3 | I75 P76 V77 R81 G82 D85 Q86 Y89 | I75-L79 HydrophobicContact CG2-CB 4.18Å; P76-L79 HydrophobicContact CG-CB 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.14Å; P76-L79 HydrophobicContact CG-CG 4.37Å; P76-L79 PolarHBondContact O-N 2.9Å; V77-L79 PolarHBondContact O-N 3Å; L79-R81 PolarHBondContact O-N 2.95Å; L79-G82 PolarHBondContact O-N 3.04Å; L79-D85 HydrophobicContact CD2-CB 4.4Å; L79-Q86 HydrophobicContact CD2-CG 3.89Å; L79-Y89 HydrophobicContact CD2-CG 4.49Å |
| 80 | K | 94.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 97.2 Ų | 97.2 | 7% | 0.065 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -26 | -167.3 | -172 | 61.8 | 167.1 | 179.6 | 0 | 112.8 | F68 F69 T71 D73 I75 P76 V77 G82 D85 | F68-K80 HydrophobicContact CE1-CG 4.22Å; F68-K80 VanDerWaalsContact CZ-O 3.32Å; F68-K80 WeakPolarHBondContact CZ-O 3.31Å; F68-K80 WeakPolarHBondContact O-CE 3.14Å; F69-K80 HydrophobicContact CD1-CB 3.96Å; F69-K80 HydrophobicContact CD1-CG 3.58Å; F69-K80 HydrophobicContact CE1-CB 3.85Å; F69-K80 HydrophobicContact CE1-CG 3.89Å; F69-K80 HydrophobicContact CG-CG 4.38Å; T71-K80 PolarHBondContact O-NZ 3.43Å; D73-K80 IonicContact OD2-NZ 2.75Å; D73-K80 PolarHBondContact OD2-NZ 3Å; I75-K80 HydrophobicContact CB-CD 4.29Å; I75-K80 HydrophobicContact CG2-CD 4.48Å; P76-K80 PolarHBondContact O-N 2.67Å; V77-K80 WeakPolarHBondContact O-CB 3.31Å; V77-K80 PolarHBondContact O-N 2.95Å; K80-G82 VanDerWaalsContact C-N 3.28Å; K80-G82 PolarHBondContact O-N 3.38Å; K80-D85 PolarHBondContact N-OD2 2.75Å |
| 81 | R | 93.4 | Very high | 95.8 | Very high | 174 Ų | 174 | 93.5 Ų | 93.5 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 1.2 | 177.3 | -150.9 | 173.9 | 171.9 | 157.4 | -3.1 | 113.2 | L79 P84 D85 | L79-R81 PolarHBondContact O-N 2.95Å; R81-P84 HydrophobicContact CB-CG 4.42Å; R81-P84 HydrophobicContact CG-CG 4.27Å; R81-P84 WeakPolarHBondContact O-CD 3.18Å; R81-D85 WeakPolarHBondContact CA-OD2 3.46Å; R81-D85 VanDerWaalsContact CB-CG 3.44Å; R81-D85 WeakPolarHBondContact CB-OD1 3.4Å; R81-D85 WeakPolarHBondContact CB-OD2 3.42Å; R81-D85 PolarHBondContact N-OD2 3.28Å |
| 82 | G | 94.5 | Very high | 95.9 | Very high | 25 Ų | 25 | 93.8 Ų | 93.8 | 26% | 0.258 | 50% | 0.495 | S | S | . | . | trans | 82.4 | -130.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L79 K80 D85 Q86 | L79-G82 PolarHBondContact O-N 3.04Å; K80-G82 VanDerWaalsContact C-N 3.28Å; K80-G82 PolarHBondContact O-N 3.38Å; G82-D85 PolarHBondContact O-N 3.19Å; G82-Q86 WeakPolarHBondContact O-CG 3.29Å; G82-Q86 PolarHBondContact O-N 2.77Å | ||
| 83 | Y | 95.5 | Very high | 96.1 | Very high | 199 Ų | 199 | 91.8 Ų | 91.8 | 78% | 0.78 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -52.1 | -45.6 | -174.3 | -74.1 | -69.1 | 0 | 0 | 0 | 116.7 | D85 Q86 L87 | Y83-D85 VanDerWaalsContact C-N 3.31Å; Y83-D85 PolarHBondContact O-N 3.21Å; Y83-Q86 PolarHBondContact O-N 2.83Å; Y83-L87 WeakPolarHBondContact O-CB 3.43Å; Y83-L87 PolarHBondContact O-N 3.49Å |
| 84 | P | 96.7 | Very high | 96.3 | Very high | 75 Ų | 75 | 90.6 Ų | 90.6 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 179.9 | 23.4 | -33.8 | 0 | 0 | 0 | 111.8 | R81 L88 | R81-P84 HydrophobicContact CB-CG 4.42Å; R81-P84 HydrophobicContact CG-CG 4.27Å; R81-P84 WeakPolarHBondContact O-CD 3.18Å; P84-L88 VanDerWaalsContact O-CB 3.29Å; P84-L88 WeakPolarHBondContact O-CB 3.13Å; P84-L88 PolarHBondContact O-N 3.35Å |
| 85 | D | 97.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 93.1 Ų | 93.1 | 19% | 0.187 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | 178.8 | -67.2 | -1.2 | 0 | 0 | 0 | 111.2 | H78 L79 K80 R81 G82 Y83 L88 Y89 | H78-D85 WeakPolarHBondContact O-CB 3.32Å; L79-D85 HydrophobicContact CD2-CB 4.4Å; K80-D85 PolarHBondContact N-OD2 2.75Å; R81-D85 WeakPolarHBondContact CA-OD2 3.46Å; R81-D85 VanDerWaalsContact CB-CG 3.44Å; R81-D85 WeakPolarHBondContact CB-OD1 3.4Å; R81-D85 WeakPolarHBondContact CB-OD2 3.42Å; R81-D85 PolarHBondContact N-OD2 3.28Å; G82-D85 PolarHBondContact O-N 3.19Å; Y83-D85 VanDerWaalsContact C-N 3.31Å; Y83-D85 PolarHBondContact O-N 3.21Å; D85-L88 PolarHBondContact O-N 3.01Å; D85-Y89 VanDerWaalsContact O-CB 3.26Å; D85-Y89 WeakPolarHBondContact O-CB 3.17Å; D85-Y89 PolarHBondContact O-N 3.42Å |
| 86 | Q | 96.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 92.7 Ų | 92.7 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 178.1 | -72 | 178.9 | 12.3 | 0 | 0 | 112.4 | L79 G82 Y83 Y89 R90 | L79-Q86 HydrophobicContact CD2-CG 3.89Å; G82-Q86 WeakPolarHBondContact O-CG 3.29Å; G82-Q86 PolarHBondContact O-N 2.77Å; Y83-Q86 PolarHBondContact O-N 2.83Å; Q86-Y89 PolarHBondContact O-N 3.04Å; Q86-R90 WeakPolarHBondContact O-CB 3.31Å; Q86-R90 VanDerWaalsContact O-CG 3.25Å; Q86-R90 WeakPolarHBondContact O-CG 3.42Å; Q86-R90 PolarHBondContact O-N 3.44Å |
| 87 | L | 97.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 94.5 Ų | 94.5 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65 | -44.7 | 178.5 | -177.1 | 63 | 0 | 0 | 0 | 110.6 | Y83 Y89 R90 T91 | Y83-L87 WeakPolarHBondContact O-CB 3.43Å; Y83-L87 PolarHBondContact O-N 3.49Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.43Å; L87-R90 PolarHBondContact O-N 3.01Å; L87-T91 HydrophobicContact CD1-CG2 4.13Å; L87-T91 HydrophobicContact CG-CG2 4.46Å; L87-T91 WeakPolarHBondContact O-CB 3.29Å; L87-T91 VanDerWaalsContact O-CG2 3.29Å; L87-T91 WeakPolarHBondContact O-CG2 3.45Å; L87-T91 PolarHBondContact O-N 2.93Å; L87-T91 PolarHBondContact O-OG1 3.36Å |
| 88 | L | 98 | Very high | 97 | Very high | 112 Ų | 112 | 91.1 Ų | 91.1 | 59% | 0.586 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 177.4 | -174 | 61.7 | 0 | 0 | 0 | 111.3 | P84 D85 T91 T92 | P84-L88 VanDerWaalsContact O-CB 3.29Å; P84-L88 WeakPolarHBondContact O-CB 3.13Å; P84-L88 PolarHBondContact O-N 3.35Å; D85-L88 PolarHBondContact O-N 3.01Å; L88-T91 PolarHBondContact O-OG1 3.22Å; L88-T92 VanDerWaalsContact O-CB 3.26Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 2.78Å; L88-T92 PolarHBondContact O-OG1 3.43Å |
| 89 | Y | 97.7 | Very high | 97.2 | Very high | 113 Ų | 113 | 87.4 Ų | 87.4 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -50.8 | 177.3 | 175.9 | -98 | 0 | 0 | 0 | 111.9 | L79 D85 Q86 L87 T91 T92 M93 | L79-Y89 HydrophobicContact CD2-CG 4.49Å; D85-Y89 VanDerWaalsContact O-CB 3.26Å; D85-Y89 WeakPolarHBondContact O-CB 3.17Å; D85-Y89 PolarHBondContact O-N 3.42Å; Q86-Y89 PolarHBondContact O-N 3.04Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.43Å; Y89-T91 PolarHBondContact O-N 3.34Å; Y89-T92 PolarHBondContact O-N 2.86Å; Y89-M93 HydrophobicContact CE1-CG 4.02Å; Y89-M93 HydrophobicContact CE1-SD 4.02Å; Y89-M93 HydrophobicContact CE2-CG 4.12Å; Y89-M93 HydrophobicContact CE2-SD 4.45Å; Y89-M93 WeakPolarHBondContact O-CB 3.5Å; Y89-M93 PolarHBondContact O-N 2.97Å; Y89-M93 PolarHBondContact OH-SD 3.47Å; Y89-M93 VanDerWaalsContact OH-SD 3.33Å |
| 90 | R | 97.9 | Very high | 97.4 | Very high | 183 Ų | 183 | 89.8 Ų | 89.8 | 69% | 0.691 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | -176.6 | -69.2 | 174.6 | 81.3 | -172.6 | 5.7 | 112.2 | Q86 L87 A94 | Q86-R90 WeakPolarHBondContact O-CB 3.31Å; Q86-R90 VanDerWaalsContact O-CG 3.25Å; Q86-R90 WeakPolarHBondContact O-CG 3.42Å; Q86-R90 PolarHBondContact O-N 3.44Å; L87-R90 PolarHBondContact O-N 3.01Å; R90-A94 WeakPolarHBondContact O-CB 3.02Å; R90-A94 PolarHBondContact O-N 2.76Å |
| 91 | T | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 93 Ų | 93 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | L87 L88 Y89 A94 L95 | L87-T91 HydrophobicContact CD1-CG2 4.13Å; L87-T91 HydrophobicContact CG-CG2 4.46Å; L87-T91 WeakPolarHBondContact O-CB 3.29Å; L87-T91 VanDerWaalsContact O-CG2 3.29Å; L87-T91 WeakPolarHBondContact O-CG2 3.45Å; L87-T91 PolarHBondContact O-N 2.93Å; L87-T91 PolarHBondContact O-OG1 3.36Å; L88-T91 PolarHBondContact O-OG1 3.22Å; Y89-T91 PolarHBondContact O-N 3.34Å; T91-A94 PolarHBondContact O-N 3Å; T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 PolarHBondContact O-N 3.07Å |
| 92 | T | 98.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 92.8 Ų | 92.8 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | L88 Y89 L95 T96 | L88-T92 VanDerWaalsContact O-CB 3.26Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 2.78Å; L88-T92 PolarHBondContact O-OG1 3.43Å; Y89-T92 PolarHBondContact O-N 2.86Å; T92-L95 PolarHBondContact O-N 3.1Å; T92-T96 HydrophobicContact CG2-CG2 4.46Å; T92-T96 WeakPolarHBondContact O-CB 3.43Å; T92-T96 WeakPolarHBondContact O-CG2 3.38Å; T92-T96 PolarHBondContact O-N 3.23Å; T92-T96 PolarHBondContact O-OG1 3.1Å |
| 93 | M | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 95 Ų | 95 | 39% | 0.389 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 173.1 | -83.9 | -132.1 | 86.2 | 0 | 0 | 112 | Y89 L95 T96 I97 | Y89-M93 HydrophobicContact CE1-CG 4.02Å; Y89-M93 HydrophobicContact CE1-SD 4.02Å; Y89-M93 HydrophobicContact CE2-CG 4.12Å; Y89-M93 HydrophobicContact CE2-SD 4.45Å; Y89-M93 WeakPolarHBondContact O-CB 3.5Å; Y89-M93 PolarHBondContact O-N 2.97Å; Y89-M93 PolarHBondContact OH-SD 3.47Å; Y89-M93 VanDerWaalsContact OH-SD 3.33Å; M93-L95 VanDerWaalsContact C-N 3.35Å; M93-L95 PolarHBondContact O-N 3.42Å; M93-T96 WeakPolarHBondContact CA-OG1 3.39Å; M93-T96 PolarHBondContact O-N 3.46Å; M93-T96 PolarHBondContact O-OG1 2.89Å; M93-I97 HydrophobicContact CE-CD1 4.25Å; M93-I97 WeakPolarHBondContact O-CB 3.47Å; M93-I97 WeakPolarHBondContact O-CD1 3.33Å; M93-I97 VanDerWaalsContact O-CG1 3.24Å; M93-I97 WeakPolarHBondContact O-CG1 3.41Å; M93-I97 PolarHBondContact O-N 3.49Å |
| 94 | A | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 90.7 Ų | 90.7 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R90 T91 G98 | R90-A94 WeakPolarHBondContact O-CB 3.02Å; R90-A94 PolarHBondContact O-N 2.76Å; T91-A94 PolarHBondContact O-N 3Å; A94-G98 PolarHBondContact O-N 3.08Å |
| 95 | L | 98.5 | Very high | 98.2 | Very high | 134 Ų | 134 | 90.8 Ų | 90.8 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 178 | -178.7 | 63.7 | 0 | 0 | 0 | 112 | T91 T92 M93 G98 G99 | T91-L95 WeakPolarHBondContact O-CB 3.32Å; T91-L95 PolarHBondContact O-N 3.07Å; T92-L95 PolarHBondContact O-N 3.1Å; M93-L95 VanDerWaalsContact C-N 3.35Å; M93-L95 PolarHBondContact O-N 3.42Å; L95-G98 PolarHBondContact O-N 3.33Å; L95-G99 PolarHBondContact O-N 2.99Å |
| 96 | T | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 91.1 Ų | 91.1 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | T92 M93 G99 V100 | T92-T96 HydrophobicContact CG2-CG2 4.46Å; T92-T96 WeakPolarHBondContact O-CB 3.43Å; T92-T96 WeakPolarHBondContact O-CG2 3.38Å; T92-T96 PolarHBondContact O-N 3.23Å; T92-T96 PolarHBondContact O-OG1 3.1Å; M93-T96 WeakPolarHBondContact CA-OG1 3.39Å; M93-T96 PolarHBondContact O-N 3.46Å; M93-T96 PolarHBondContact O-OG1 2.89Å; T96-G99 PolarHBondContact O-N 3.4Å; T96-V100 WeakPolarHBondContact O-CG2 3.07Å; T96-V100 PolarHBondContact O-N 2.74Å |
| 97 | I | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 174.9 | -65.7 | 166.4 | 0 | 0 | 0 | 110.2 | M93 G99 V100 V101 | M93-I97 HydrophobicContact CE-CD1 4.25Å; M93-I97 WeakPolarHBondContact O-CB 3.47Å; M93-I97 WeakPolarHBondContact O-CD1 3.33Å; M93-I97 VanDerWaalsContact O-CG1 3.24Å; M93-I97 WeakPolarHBondContact O-CG1 3.41Å; M93-I97 PolarHBondContact O-N 3.49Å; I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.87Å; I97-V100 PolarHBondContact O-N 3.3Å; I97-V101 WeakPolarHBondContact O-CG2 3.47Å; I97-V101 PolarHBondContact O-N 2.9Å |
| 98 | G | 98.5 | Very high | 98.2 | Very high | 41 Ų | 41 | 94.6 Ų | 94.6 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A94 L95 V101 Y102 | A94-G98 PolarHBondContact O-N 3.08Å; L95-G98 PolarHBondContact O-N 3.33Å; G98-V101 PolarHBondContact O-N 3.32Å; G98-Y102 WeakPolarHBondContact O-CB 3.28Å; G98-Y102 PolarHBondContact O-N 2.71Å |
| 99 | G | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 94 Ų | 94 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L95 T96 I97 Y102 C103 | L95-G99 PolarHBondContact O-N 2.99Å; T96-G99 PolarHBondContact O-N 3.4Å; I97-G99 VanDerWaalsContact C-N 3.33Å; I97-G99 PolarHBondContact O-N 2.87Å; G99-Y102 WeakPolarHBondContact O-CB 3.39Å; G99-Y102 PolarHBondContact O-N 3.03Å; G99-C103 WeakPolarHBondContact O-CB 3.43Å; G99-C103 PolarHBondContact O-N 3.18Å; G99-C103 PolarHBondContact O-SG 3.23Å |
| 100 | V | 98.7 | Very high | 98 | Very high | 88 Ų | 88 | 92.2 Ų | 92.2 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.7 | 170.1 | 0 | 0 | 0 | 0 | 111 | T96 I97 Y102 C103 L104 | T96-V100 WeakPolarHBondContact O-CG2 3.07Å; T96-V100 PolarHBondContact O-N 2.74Å; I97-V100 PolarHBondContact O-N 3.3Å; V100-Y102 VanDerWaalsContact C-N 3.32Å; V100-Y102 PolarHBondContact O-N 3.2Å; V100-C103 PolarHBondContact O-N 2.91Å; V100-L104 HydrophobicContact CG1-CD1 4.21Å; V100-L104 WeakPolarHBondContact O-CG 3.1Å; V100-L104 PolarHBondContact O-N 3.47Å |
| 101 | V | 98.6 | Very high | 97.8 | Very high | 83 Ų | 83 | 87.2 Ų | 87.2 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I97 G98 C103 L104 V105 | I97-V101 WeakPolarHBondContact O-CG2 3.47Å; I97-V101 PolarHBondContact O-N 2.9Å; G98-V101 PolarHBondContact O-N 3.32Å; V101-C103 PolarHBondContact O-N 3.38Å; V101-L104 PolarHBondContact O-N 3.18Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.07Å |
| 102 | Y | 98.5 | Very high | 97.6 | Very high | 169 Ų | 169 | 88.3 Ų | 88.3 | 66% | 0.663 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 176.5 | 176.1 | -98 | 0 | 0 | 0 | 111.9 | G98 G99 V100 L104 V105 A106 | G98-Y102 WeakPolarHBondContact O-CB 3.28Å; G98-Y102 PolarHBondContact O-N 2.71Å; G99-Y102 WeakPolarHBondContact O-CB 3.39Å; G99-Y102 PolarHBondContact O-N 3.03Å; V100-Y102 VanDerWaalsContact C-N 3.32Å; V100-Y102 PolarHBondContact O-N 3.2Å; Y102-L104 VanDerWaalsContact C-N 3.32Å; Y102-L104 PolarHBondContact O-N 3.24Å; Y102-V105 PolarHBondContact O-N 3.27Å; Y102-A106 WeakPolarHBondContact O-CB 3.46Å; Y102-A106 PolarHBondContact O-N 3.48Å |
| 103 | C | 98.1 | Very high | 97.4 | Very high | 70 Ų | 70 | 90.5 Ų | 90.5 | 47% | 0.473 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 176.7 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | G99 V100 V101 A106 L107 | G99-C103 WeakPolarHBondContact O-CB 3.43Å; G99-C103 PolarHBondContact O-N 3.18Å; G99-C103 PolarHBondContact O-SG 3.23Å; V100-C103 PolarHBondContact O-N 2.91Å; V101-C103 PolarHBondContact O-N 3.38Å; C103-A106 PolarHBondContact O-N 2.87Å; C103-L107 WeakPolarHBondContact O-CB 3.2Å; C103-L107 VanDerWaalsContact O-CG 3.23Å; C103-L107 WeakPolarHBondContact O-CG 3.29Å; C103-L107 PolarHBondContact O-N 3.24Å |
| 104 | L | 98.4 | Very high | 96.7 | Very high | 109 Ų | 109 | 95.2 Ų | 95.2 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 177.8 | -69.5 | 173.6 | 0 | 0 | 0 | 112.2 | V100 V101 Y102 L107 Y108 | V100-L104 HydrophobicContact CG1-CD1 4.21Å; V100-L104 WeakPolarHBondContact O-CG 3.1Å; V100-L104 PolarHBondContact O-N 3.47Å; V101-L104 PolarHBondContact O-N 3.18Å; Y102-L104 VanDerWaalsContact C-N 3.32Å; Y102-L104 PolarHBondContact O-N 3.24Å; L104-L107 PolarHBondContact O-N 3.11Å; L104-Y108 WeakPolarHBondContact O-CB 3.43Å; L104-Y108 PolarHBondContact O-N 3.26Å |
| 105 | V | 98.1 | Very high | 95.6 | Very high | 78 Ų | 78 | 102.2 Ų | 102.2 | 47% | 0.473 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.4 | -45.2 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V101 Y102 L107 Y108 I109 | V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.07Å; Y102-V105 PolarHBondContact O-N 3.27Å; V105-L107 VanDerWaalsContact C-N 3.35Å; V105-L107 PolarHBondContact O-N 2.85Å; V105-Y108 PolarHBondContact O-N 2.74Å; V105-I109 HydrophobicContact CG1-CD1 3.91Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.47Å |
| 106 | A | 97.5 | Very high | 93.9 | Very high | 42 Ų | 42 | 109 Ų | 109 | 35% | 0.347 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.2 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y102 C103 I109 A110 | Y102-A106 WeakPolarHBondContact O-CB 3.46Å; Y102-A106 PolarHBondContact O-N 3.48Å; C103-A106 PolarHBondContact O-N 2.87Å; A106-I109 PolarHBondContact O-N 2.88Å; A106-A110 VanDerWaalsContact O-CB 3.26Å; A106-A110 WeakPolarHBondContact O-CB 3.22Å; A106-A110 PolarHBondContact O-N 2.88Å |
| 107 | L | 97.7 | Very high | 93.7 | Very high | 117 Ų | 117 | 110.8 Ų | 110.8 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.5 | -43.4 | 175.3 | -75.6 | 174.4 | 0 | 0 | 0 | 111.8 | C103 L104 V105 I109 A110 A111 | C103-L107 WeakPolarHBondContact O-CB 3.2Å; C103-L107 VanDerWaalsContact O-CG 3.23Å; C103-L107 WeakPolarHBondContact O-CG 3.29Å; C103-L107 PolarHBondContact O-N 3.24Å; L104-L107 PolarHBondContact O-N 3.11Å; V105-L107 VanDerWaalsContact C-N 3.35Å; V105-L107 PolarHBondContact O-N 2.85Å; L107-I109 PolarHBondContact O-N 2.94Å; L107-A110 PolarHBondContact O-N 3.49Å; L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.47Å |
| 108 | Y | 96.9 | Very high | 93.4 | Very high | 158 Ų | 158 | 111.4 Ų | 111.4 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.7 | -47.4 | 177.3 | 176.4 | -100.9 | 0 | 0 | 0 | 111.8 | L104 V105 A110 A111 Q112 | L104-Y108 WeakPolarHBondContact O-CB 3.43Å; L104-Y108 PolarHBondContact O-N 3.26Å; V105-Y108 PolarHBondContact O-N 2.74Å; Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 2.96Å; Y108-A111 PolarHBondContact O-N 3.2Å; Y108-Q112 PolarHBondContact O-N 2.93Å |
| 109 | I | 95.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 115.3 Ų | 115.3 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 177.2 | -65.8 | 167.9 | 0 | 0 | 0 | 110.7 | V105 A106 L107 A111 Q112 | V105-I109 HydrophobicContact CG1-CD1 3.91Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.47Å; A106-I109 PolarHBondContact O-N 2.88Å; L107-I109 PolarHBondContact O-N 2.94Å; I109-A111 VanDerWaalsContact C-N 3.3Å; I109-A111 PolarHBondContact O-N 3.28Å; I109-Q112 PolarHBondContact O-N 3.39Å |
| 110 | A | 95.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 120.4 Ų | 120.4 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -30.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | A106 L107 Y108 Q112 | A106-A110 VanDerWaalsContact O-CB 3.26Å; A106-A110 WeakPolarHBondContact O-CB 3.22Å; A106-A110 PolarHBondContact O-N 2.88Å; L107-A110 PolarHBondContact O-N 3.49Å; Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 2.96Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; A110-Q112 PolarHBondContact O-N 2.82Å |
| 111 | A | 95.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.4 | -17.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L107 Y108 I109 | L107-A111 VanDerWaalsContact O-CB 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.47Å; Y108-A111 PolarHBondContact O-N 3.2Å; I109-A111 VanDerWaalsContact C-N 3.3Å; I109-A111 PolarHBondContact O-N 3.28Å |
| 112 | Q | 94.1 | Very high | 92 | Very high | 97 Ų | 97 | 125 Ų | 125 | 45% | 0.453 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -78.5 | 135.9 | 177.4 | -63.4 | -60.1 | -46.1 | 0 | 0 | 111 | Y108 I109 A110 K114 | Y108-Q112 PolarHBondContact O-N 2.93Å; I109-Q112 PolarHBondContact O-N 3.39Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; A110-Q112 PolarHBondContact O-N 2.82Å; Q112-K114 PolarHBondContact O-N 3.49Å |
| 113 | P | 93 | Very high | 91.5 | Very high | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 122.8 | 176.7 | 26.7 | -32.9 | 0 | 0 | 0 | 110.1 | ||
| 114 | K | 83.3 | Confident | 91 | Very high | 177 Ų | 177 | 125.8 Ų | 125.8 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 125.6 | 171.8 | -64.8 | -175.7 | -179.2 | -178.1 | 0 | 108.5 | Q112 K116 | Q112-K114 PolarHBondContact O-N 3.49Å; K114-K116 PolarHBondContact O-N 3.14Å |
| 115 | K | 75.7 | Confident | 90.4 | Very high | 212 Ų | 212 | 127.3 Ų | 127.3 | 92% | 0.922 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 128 | 168.2 | -66.4 | -170.5 | 179.1 | -175.9 | 0 | 107.9 | ||
| 116 | K | 62.4 | Low | 89.7 | Confident | 277 Ų | 277 | 131.7 Ų | 131.7 | 100% | 1.204 | 68% | 0.678 | S | S | * | * | trans | -77 | 0 | 169 | -75 | -173.8 | 176.9 | -176.3 | 0 | 109.9 | K114 | K114-K116 PolarHBondContact O-N 3.14Š|
Retrieved 116 of 116 residues in 151.8 ms
(Link to these results)