| 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 | 47.6 | Very low | 64.5 | Low | 250 Ų | 250 | 104.7 Ų | 104.7 | 100% | 1.232 | 60% | 0.598 | S | S | * | * | 0 | 97.5 | 0 | -66.8 | -93.5 | 162.9 | 0 | 0 | 105.2 | |||||
| 2 | S | 53.3 | Low | 65.1 | Low | 52 Ų | 52 | 107.1 Ų | 107.1 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | cis | -165.8 | 97.5 | -2.9 | 160.6 | 0 | 0 | 0 | 0 | 102.5 | S4 D5 | S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-D5 WeakPolarHBondContact CB-OD2 3.44Å; S2-D5 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.14Å; S2-D5 PolarHBondContact OG-OD2 3.43Å | ||
| 3 | D | 60.2 | Low | 65.4 | Low | 152 Ų | 152 | 104.2 Ų | 104.2 | 81% | 0.813 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.8 | -7.6 | 178.9 | -73.3 | -28.1 | 0 | 0 | 0 | 111.9 | S6 | D3-S6 PolarHBondContact O-OG 3.18Å |
| 4 | S | 64 | Low | 65.7 | Low | 86 Ų | 86 | 104.7 Ų | 104.7 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.3 | -34.1 | 177.2 | -53 | 0 | 0 | 0 | 0 | 112.2 | S2 S6 S7 C8 | S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact O-N 3.22Å; S4-S7 PolarHBondContact O-N 3.05Å; S4-S7 PolarHBondContact O-OG 3.47Å; S4-C8 PolarHBondContact O-N 3.2Å |
| 5 | D | 62.4 | Low | 66.2 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.1 | -36.6 | -176.4 | -62.9 | -30 | 0 | 0 | 0 | 111.5 | S2 S7 C8 D9 | S2-D5 WeakPolarHBondContact CB-OD2 3.44Å; S2-D5 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.14Å; S2-D5 PolarHBondContact OG-OD2 3.43Å; D5-S7 PolarHBondContact O-N 3.02Å; D5-C8 PolarHBondContact O-N 3.25Å; D5-C8 VanDerWaalsContact O-N 3.16Å; D5-D9 PolarHBondContact O-N 2.62Å |
| 6 | S | 65 | Low | 66.5 | Low | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -26.9 | 179.4 | 78 | 0 | 0 | 0 | 0 | 113.1 | D3 S4 V10 | D3-S6 PolarHBondContact O-OG 3.18Å; S4-S6 PolarHBondContact O-N 3.22Å; S6-V10 WeakPolarHBondContact O-CG2 3.42Å; S6-V10 PolarHBondContact O-N 2.81Å |
| 7 | S | 70.7 | Confident | 66.9 | Low | 66 Ų | 66 | 102.5 Ų | 102.5 | 46% | 0.462 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.1 | -31.6 | 178 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | S4 D5 Q11 | S4-S7 PolarHBondContact O-N 3.05Å; S4-S7 PolarHBondContact O-OG 3.47Å; D5-S7 PolarHBondContact O-N 3.02Å; S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.42Å |
| 8 | C | 71.2 | Confident | 67.1 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 49% | 0.493 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.5 | -43.6 | 177.8 | -154 | 0 | 0 | 0 | 0 | 110.1 | S4 D5 V10 Q11 E12 | S4-C8 PolarHBondContact O-N 3.2Å; D5-C8 PolarHBondContact O-N 3.25Å; D5-C8 VanDerWaalsContact O-N 3.16Å; C8-V10 VanDerWaalsContact C-N 3.31Å; C8-V10 PolarHBondContact O-N 3.42Å; C8-Q11 PolarHBondContact O-N 2.95Å; C8-Q11 VanDerWaalsContact O-N 3.13Å; C8-E12 PolarHBondContact O-N 3.34Å |
| 9 | D | 71.8 | Confident | 67.3 | Low | 90 Ų | 90 | 102 Ų | 102 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57.8 | -44.1 | 176.1 | -69.6 | -17.4 | 0 | 0 | 0 | 111.4 | D5 Q11 E12 I13 | D5-D9 PolarHBondContact O-N 2.62Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; D9-E12 PolarHBondContact O-N 3.24Å; D9-I13 WeakPolarHBondContact O-CB 3.43Å; D9-I13 WeakPolarHBondContact O-CD1 3.2Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.06Å |
| 10 | V | 70.6 | Confident | 67.4 | Low | 82 Ų | 82 | 103.3 Ų | 103.3 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.5 | -36.8 | 179.3 | 176 | 0 | 0 | 0 | 0 | 111.6 | S6 C8 L14 | S6-V10 WeakPolarHBondContact O-CG2 3.42Å; S6-V10 PolarHBondContact O-N 2.81Å; C8-V10 VanDerWaalsContact C-N 3.31Å; C8-V10 PolarHBondContact O-N 3.42Å; V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CD1 3.42Å; V10-L14 WeakPolarHBondContact O-CG 2.73Å; V10-L14 PolarHBondContact O-N 3.4Å |
| 11 | Q | 72.6 | Confident | 67.7 | Low | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -38.7 | 177 | -74.4 | 173.5 | -4.2 | 0 | 0 | 112.4 | S7 C8 D9 L14 A15 | S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.42Å; C8-Q11 PolarHBondContact O-N 2.95Å; C8-Q11 VanDerWaalsContact O-N 3.13Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; Q11-L14 PolarHBondContact O-N 3.22Å; Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 3.23Å |
| 12 | E | 72.1 | Confident | 69 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.2 | -40.5 | 176.4 | -169.8 | 167.4 | -160.5 | 0 | 0 | 111.5 | C8 D9 A15 C16 | C8-E12 PolarHBondContact O-N 3.34Å; D9-E12 PolarHBondContact O-N 3.24Å; E12-A15 PolarHBondContact O-N 3.45Å; E12-C16 PolarHBondContact O-N 3.35Å |
| 13 | I | 69.4 | Low | 70 | Confident | 69 Ų | 69 | 107.3 Ų | 107.3 | 35% | 0.354 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.8 | -44.6 | 172.7 | -76 | 171.2 | 0 | 0 | 0 | 110.9 | D9 A15 C16 Y20 | D9-I13 WeakPolarHBondContact O-CB 3.43Å; D9-I13 WeakPolarHBondContact O-CD1 3.2Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.06Å; I13-A15 VanDerWaalsContact C-N 3.27Å; I13-A15 PolarHBondContact O-N 2.95Å; I13-C16 PolarHBondContact O-N 3.48Å; I13-Y20 HydrophobicContact CB-CE2 4.4Å; I13-Y20 HydrophobicContact CG2-CD2 4.39Å; I13-Y20 HydrophobicContact CG2-CE1 4.47Å; I13-Y20 HydrophobicContact CG2-CE2 3.17Å; I13-Y20 WeakPolarHBondContact CG2-OH 3.16Å; I13-Y20 WeakPolarHBondContact O-CE2 3.42Å |
| 14 | L | 69 | Low | 70.8 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.8 | -23.7 | 176 | -72.5 | 168.9 | 0 | 0 | 0 | 113.4 | V10 Q11 Y20 | V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CD1 3.42Å; V10-L14 WeakPolarHBondContact O-CG 2.73Å; V10-L14 PolarHBondContact O-N 3.4Å; Q11-L14 PolarHBondContact O-N 3.22Å; L14-Y20 HydrophobicContact CD2-CD2 4.32Å; L14-Y20 HydrophobicContact CD2-CG 4.36Å |
| 15 | A | 73.4 | Confident | 71.3 | Confident | 75 Ų | 75 | 109.2 Ų | 109.2 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.6 | -12.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q11 E12 I13 P17 | Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 3.23Å; E12-A15 PolarHBondContact O-N 3.45Å; I13-A15 VanDerWaalsContact C-N 3.27Å; I13-A15 PolarHBondContact O-N 2.95Å; A15-P17 WeakPolarHBondContact O-CD 3.43Å |
| 16 | C | 71.8 | Confident | 71.8 | Confident | 64 Ų | 64 | 113.1 Ų | 113.1 | 43% | 0.432 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -71.3 | 109.2 | 174.3 | -76.6 | 0 | 0 | 0 | 0 | 111 | E12 I13 G18 L19 | E12-C16 PolarHBondContact O-N 3.35Å; I13-C16 PolarHBondContact O-N 3.48Å; C16-G18 PolarHBondContact O-N 3.38Å; C16-G18 VanDerWaalsContact O-N 3.16Å; C16-L19 HydrophobicContact CB-CB 4.16Å; C16-L19 HydrophobicContact CB-CD2 4.5Å; C16-L19 PolarHBondContact O-N 2.98Å |
| 17 | P | 71.8 | Confident | 72.2 | Confident | 138 Ų | 138 | 118.7 Ų | 118.7 | 90% | 0.896 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 121.4 | -180 | -12.7 | 27.4 | 0 | 0 | 0 | 109.3 | A15 | A15-P17 WeakPolarHBondContact O-CD 3.43Š|
| 18 | G | 71.4 | Confident | 72.3 | Confident | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.9 | -1.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | C16 | C16-G18 PolarHBondContact O-N 3.38Å; C16-G18 VanDerWaalsContact O-N 3.16Å |
| 19 | L | 69.8 | Low | 72.5 | Confident | 112 Ų | 112 | 129.2 Ų | 129.2 | 59% | 0.586 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -23.1 | 173.3 | -168.2 | 58.6 | 0 | 0 | 0 | 112.8 | C16 | C16-L19 HydrophobicContact CB-CB 4.16Å; C16-L19 HydrophobicContact CB-CD2 4.5Å; C16-L19 PolarHBondContact O-N 2.98Å |
| 20 | Y | 70.3 | Confident | 73 | Confident | 128 Ų | 128 | 132.7 Ų | 132.7 | 50% | 0.502 | 70% | 0.697 | S | S | . | * | trans | -126.4 | 125.3 | 177.9 | -61.2 | -81 | 0 | 0 | 0 | 110.7 | I13 L14 | I13-Y20 HydrophobicContact CB-CE2 4.4Å; I13-Y20 HydrophobicContact CG2-CD2 4.39Å; I13-Y20 HydrophobicContact CG2-CE1 4.47Å; I13-Y20 HydrophobicContact CG2-CE2 3.17Å; I13-Y20 WeakPolarHBondContact CG2-OH 3.16Å; I13-Y20 WeakPolarHBondContact O-CE2 3.42Å; L14-Y20 HydrophobicContact CD2-CD2 4.32Å; L14-Y20 HydrophobicContact CD2-CG 4.36Å | ||
| 21 | E | 74.2 | Confident | 73.9 | Confident | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | trans | -95.2 | 122.6 | 166.1 | -173.6 | 174.9 | -175.2 | 0 | 0 | 107.8 | I23 | E21-I23 PolarHBondContact O-N 3.41Š| ||
| 22 | E | 73.7 | Confident | 74.6 | Confident | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -63.2 | 107.4 | 171.7 | -70.4 | -174 | 176.8 | 0 | 0 | 108.8 | T24 | E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å | ||
| 23 | I | 75.5 | Confident | 75.6 | Confident | 136 Ų | 136 | 133.5 Ų | 133.5 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | trans | -68.2 | 91.7 | 172.2 | -55.5 | 173.6 | 0 | 0 | 0 | 107.3 | E21 H25 | E21-I23 PolarHBondContact O-N 3.41Å; I23-H25 PolarHBondContact O-N 3.21Å | ||
| 24 | T | 77.5 | Confident | 76.7 | Confident | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -71.4 | 99.4 | 171.8 | 54.8 | 0 | 0 | 0 | 0 | 108.3 | E22 E26 | E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å; T24-E26 PolarHBondContact O-N 2.6Å; T24-E26 VanDerWaalsContact O-N 3.16Å | ||
| 25 | H | 73.8 | Confident | 77.8 | Confident | 162 Ų | 162 | 130.3 Ų | 130.3 | 75% | 0.75 | 69% | 0.685 | S | S | * | * | trans | -67.5 | 113.9 | 169 | -60.8 | -57 | 0 | 0 | 0 | 108.4 | I23 K27 | I23-H25 PolarHBondContact O-N 3.21Å; H25-K27 PolarHBondContact O-N 2.89Å; H25-K27 VanDerWaalsContact O-N 3.16Å | ||
| 26 | E | 73 | Confident | 78.8 | Confident | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 68% | 0.678 | S | S | * | * | trans | -52.3 | 125.5 | 170.3 | -68.6 | -172 | 171.5 | 0 | 0 | 109.2 | T24 K28 | T24-E26 PolarHBondContact O-N 2.6Å; T24-E26 VanDerWaalsContact O-N 3.16Å; E26-K28 PolarHBondContact O-N 3.34Å | ||
| 27 | K | 73 | Confident | 80 | Confident | 187 Ų | 187 | 132.4 Ų | 132.4 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -58.8 | 113.3 | 178.2 | -70.1 | -179.5 | -179 | 175.4 | 0 | 108.1 | H25 H29 | H25-K27 PolarHBondContact O-N 2.89Å; H25-K27 VanDerWaalsContact O-N 3.16Å; K27-H29 PolarHBondContact O-N 2.79Å | ||
| 28 | K | 72.8 | Confident | 81.1 | Confident | 206 Ų | 206 | 130.7 Ų | 130.7 | 90% | 0.896 | 66% | 0.664 | S | S | * | * | trans | -60.5 | 106.3 | 175.6 | -66.4 | -179.9 | -178.1 | 175.8 | 0 | 108.8 | E26 | E26-K28 PolarHBondContact O-N 3.34Š| ||
| 29 | H | 74.3 | Confident | 82.3 | Confident | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | trans | -67 | 140 | 170.3 | -72.3 | -73.6 | 0 | 0 | 0 | 110 | K27 Y31 | K27-H29 PolarHBondContact O-N 2.79Å; H29-Y31 PolarHBondContact O-N 2.79Å; H29-Y31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | V | 83.8 | Confident | 83.5 | Confident | 162 Ų | 162 | 129.9 Ų | 129.9 | 98% | 0.982 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -56.2 | -32 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 31 | Y | 88.3 | Confident | 84.6 | Confident | 160 Ų | 160 | 127.4 Ų | 127.4 | 63% | 0.627 | 64% | 0.644 | S | S | * | * | trans | -113.8 | 84.3 | 177.4 | -176.4 | -112.3 | 0 | 0 | 0 | 111.5 | H29 K33 L36 | H29-Y31 PolarHBondContact O-N 2.79Å; H29-Y31 VanDerWaalsContact O-N 3.15Å; Y31-K33 HydrophobicContact CE1-CB 4.03Å; Y31-K33 HydrophobicContact CE1-CG 4.45Å; Y31-K33 PolarHBondContact O-N 3.46Å; Y31-L36 HydrophobicContact CD2-CD1 4.02Å; Y31-L36 HydrophobicContact CE2-CD1 3.67Å | ||
| 32 | N | 88.8 | Confident | 85.6 | Confident | 79 Ų | 79 | 123.7 Ų | 123.7 | 42% | 0.422 | 64% | 0.638 | S | S | . | * | trans | -88.7 | 92 | 172.9 | -172.1 | -17.9 | 0 | 0 | 0 | 111 | S34 A35 L36 | N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 2.91Å; N32-S34 PolarHBondContact OD1-N 3.38Å; N32-S34 PolarHBondContact OD1-OG 2.86Å; N32-A35 HydrophobicContact CB-CB 4.07Å; N32-A35 PolarHBondContact O-N 3.36Å; N32-A35 PolarHBondContact OD1-N 2.93Å; N32-A35 VanDerWaalsContact OD1-N 3.16Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 3.43Å; N32-L36 VanDerWaalsContact O-N 3.12Å | ||
| 33 | K | 93.2 | Very high | 86.6 | Confident | 127 Ų | 127 | 121.7 Ų | 121.7 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.3 | -37.4 | -178.6 | -170 | -178.4 | 178.6 | -176.3 | 0 | 113.2 | Y31 L36 I37 | Y31-K33 HydrophobicContact CE1-CB 4.03Å; Y31-K33 HydrophobicContact CE1-CG 4.45Å; Y31-K33 PolarHBondContact O-N 3.46Å; K33-L36 PolarHBondContact O-N 3.34Å; K33-I37 HydrophobicContact CG-CD1 3.97Å; K33-I37 VanDerWaalsContact O-CG1 3.3Å; K33-I37 WeakPolarHBondContact O-CG1 3.35Å; K33-I37 PolarHBondContact O-N 3.17Å |
| 34 | S | 92.2 | Very high | 87.3 | Confident | 73 Ų | 73 | 124.2 Ų | 124.2 | 51% | 0.51 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.9 | -42.7 | -178.1 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | N32 L36 I37 N38 | N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 2.91Å; N32-S34 PolarHBondContact OD1-N 3.38Å; N32-S34 PolarHBondContact OD1-OG 2.86Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-L36 PolarHBondContact O-N 2.9Å; S34-I37 PolarHBondContact O-N 3.36Å; S34-N38 WeakPolarHBondContact O-CB 3.36Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.26Å; S34-N38 PolarHBondContact O-ND2 3.38Å |
| 35 | A | 91.9 | Very high | 87.7 | Confident | 40 Ų | 40 | 126.1 Ų | 126.1 | 33% | 0.331 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.9 | -44.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N32 I37 N38 T39 | N32-A35 HydrophobicContact CB-CB 4.07Å; N32-A35 PolarHBondContact O-N 3.36Å; N32-A35 PolarHBondContact OD1-N 2.93Å; N32-A35 VanDerWaalsContact OD1-N 3.16Å; A35-I37 PolarHBondContact O-N 2.93Å; A35-N38 PolarHBondContact O-N 3.1Å; A35-T39 WeakPolarHBondContact O-CG2 3.41Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.8Å |
| 36 | L | 94 | Very high | 88.4 | Confident | 89 Ų | 89 | 124.1 Ų | 124.1 | 47% | 0.466 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 176.9 | -70.6 | 173.1 | 0 | 0 | 0 | 112.3 | Y31 N32 K33 S34 N38 T39 L40 | Y31-L36 HydrophobicContact CD2-CD1 4.02Å; Y31-L36 HydrophobicContact CE2-CD1 3.67Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 3.43Å; N32-L36 VanDerWaalsContact O-N 3.12Å; K33-L36 PolarHBondContact O-N 3.34Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-L36 PolarHBondContact O-N 2.9Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.5Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-N 3.04Å; L36-T39 PolarHBondContact O-OG1 3.47Å; L36-L40 WeakPolarHBondContact O-CB 3.05Å; L36-L40 PolarHBondContact O-N 3.29Å |
| 37 | I | 96.3 | Very high | 89.2 | Confident | 94 Ų | 94 | 119 Ų | 119 | 48% | 0.482 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.5 | -41.5 | 177.1 | -67.6 | 165.7 | 0 | 0 | 0 | 111 | K33 S34 A35 L40 S41 | K33-I37 HydrophobicContact CG-CD1 3.97Å; K33-I37 VanDerWaalsContact O-CG1 3.3Å; K33-I37 WeakPolarHBondContact O-CG1 3.35Å; K33-I37 PolarHBondContact O-N 3.17Å; S34-I37 PolarHBondContact O-N 3.36Å; A35-I37 PolarHBondContact O-N 2.93Å; I37-L40 PolarHBondContact O-N 3.4Å; I37-S41 PolarHBondContact O-N 2.99Å; I37-S41 PolarHBondContact O-OG 2.8Å |
| 38 | N | 95.8 | Very high | 90.1 | Very high | 103 Ų | 103 | 113.7 Ų | 113.7 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | 177.8 | -68.8 | -12.3 | 0 | 0 | 0 | 112.3 | S34 A35 L36 S41 S42 | S34-N38 WeakPolarHBondContact O-CB 3.36Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.26Å; S34-N38 PolarHBondContact O-ND2 3.38Å; A35-N38 PolarHBondContact O-N 3.1Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.5Å; N38-S41 WeakPolarHBondContact CA-OG 3.42Å; N38-S41 PolarHBondContact O-N 2.9Å; N38-S41 PolarHBondContact O-OG 2.92Å; N38-S42 WeakPolarHBondContact O-CB 3.36Å; N38-S42 PolarHBondContact O-N 2.93Å; N38-S42 VanDerWaalsContact O-N 3.08Å |
| 39 | T | 95.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 106.3 Ų | 106.3 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | 173.9 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | A35 L36 S42 I43 | A35-T39 WeakPolarHBondContact O-CG2 3.41Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.8Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-N 3.04Å; L36-T39 PolarHBondContact O-OG1 3.47Å; T39-S42 PolarHBondContact O-N 2.95Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.48Å |
| 40 | L | 95 | Very high | 92 | Very high | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.2 | -175.5 | 157.4 | 0 | 0 | 0 | 110.7 | L36 I37 S42 I43 R44 | L36-L40 WeakPolarHBondContact O-CB 3.05Å; L36-L40 PolarHBondContact O-N 3.29Å; I37-L40 PolarHBondContact O-N 3.4Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.11Å; L40-I43 PolarHBondContact O-N 3.43Å; L40-R44 HydrophobicContact CD2-CB 4.35Å; L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.13Å |
| 41 | S | 93.5 | Very high | 92.4 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | I37 N38 | I37-S41 PolarHBondContact O-N 2.99Å; I37-S41 PolarHBondContact O-OG 2.8Å; N38-S41 WeakPolarHBondContact CA-OG 3.42Å; N38-S41 PolarHBondContact O-N 2.9Å; N38-S41 PolarHBondContact O-OG 2.92Å |
| 42 | S | 94.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 98.2 Ų | 98.2 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 113.2 | N38 T39 L40 | N38-S42 WeakPolarHBondContact O-CB 3.36Å; N38-S42 PolarHBondContact O-N 2.93Å; N38-S42 VanDerWaalsContact O-N 3.08Å; T39-S42 PolarHBondContact O-N 2.95Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.11Å |
| 43 | I | 94.3 | Very high | 92.8 | Very high | 129 Ų | 129 | 99.1 Ų | 99.1 | 66% | 0.662 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -84.3 | -29 | -177.3 | -63.1 | 165 | 0 | 0 | 0 | 111.8 | T39 L40 K45 | T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.48Å; L40-I43 PolarHBondContact O-N 3.43Å; I43-K45 PolarHBondContact O-N 2.89Å |
| 44 | R | 90.9 | Very high | 92.8 | Very high | 189 Ų | 189 | 96.8 Ų | 96.8 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | trans | -63.6 | 110.9 | -174.2 | -177.6 | 177.3 | -175.8 | -175.4 | 0.7 | 110.7 | L40 | L40-R44 HydrophobicContact CD2-CB 4.35Å; L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.13Å | ||
| 45 | K | 86.4 | Confident | 92.8 | Very high | 157 Ų | 157 | 95.6 Ų | 95.6 | 68% | 0.683 | 51% | 0.506 | S | S | * | . | trans | -83.2 | 124.8 | 171.9 | -59 | -176.1 | 179 | 180 | 0 | 110.3 | I43 L47 | I43-K45 PolarHBondContact O-N 2.89Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CD1 4.2Å; K45-L47 HydrophobicContact CB-CG 4.03Å; K45-L47 HydrophobicContact CD-CD1 4.26Å; K45-L47 PolarHBondContact O-N 3.28Å; K45-L47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | S | 87.5 | Confident | 92.9 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 84% | 0.839 | 53% | 0.529 | S | S | * | . | trans | -86.2 | 61.3 | 174.9 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | L | 91 | Very high | 92.6 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 37% | 0.372 | 52% | 0.517 | S | S | . | . | trans | -90 | 151.4 | 178.4 | -61.4 | 174.8 | 0 | 0 | 0 | 111.4 | K45 E51 R52 | K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CD1 4.2Å; K45-L47 HydrophobicContact CB-CG 4.03Å; K45-L47 HydrophobicContact CD-CD1 4.26Å; K45-L47 PolarHBondContact O-N 3.28Å; K45-L47 VanDerWaalsContact O-N 3.14Å; L47-E51 HydrophobicContact CB-CB 4.35Å; L47-E51 WeakPolarHBondContact CD2-OE2 3.43Å; L47-R52 HydrophobicContact CB-CG 4.05Å; L47-R52 PolarHBondContact O-NE 3.04Å | ||
| 48 | P | 92.1 | Very high | 92.1 | Very high | 76 Ų | 76 | 97 Ų | 97 | 49% | 0.494 | 52% | 0.523 | S | S | . | . | trans | -50.5 | 144 | 168.7 | -25.2 | 35.1 | 0 | 0 | 0 | 111 | I50 E51 | P48-I50 HydrophobicContact CB-CG2 3.96Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-I50 VanDerWaalsContact O-N 3.13Å; P48-E51 PolarHBondContact O-N 3.22Å | ||
| 49 | W | 92.8 | Very high | 91.4 | Very high | 51 Ų | 51 | 93.2 Ų | 93.2 | 19% | 0.193 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -57.4 | -32.6 | -175.4 | 177.3 | 72 | 0 | 0 | 0 | 113 | E51 R52 L53 D54 V55 A97 Q100 L101 L104 | W49-E51 PolarHBondContact O-N 2.97Å; W49-R52 PolarHBondContact O-N 3.03Å; W49-L53 PolarHBondContact O-N 3.45Å; W49-D54 PolarHBondContact NE1-O 3.06Å; W49-V55 HydrophobicContact CZ2-CG2 3.8Å; W49-A97 HydrophobicContact CH2-CB 4.33Å; W49-A97 HydrophobicContact CZ2-CB 4.42Å; W49-Q100 HydrophobicContact CE3-CB 4.08Å; W49-Q100 HydrophobicContact CH2-CB 3.44Å; W49-Q100 VanDerWaalsContact CH2-CB 3.44Å; W49-Q100 HydrophobicContact CH2-CG 4.31Å; W49-Q100 HydrophobicContact CZ2-CB 4.33Å; W49-Q100 HydrophobicContact CZ3-CB 3.29Å; W49-Q100 HydrophobicContact CZ3-CG 4.35Å; W49-L101 HydrophobicContact CH2-CD2 4.48Å; W49-L101 HydrophobicContact CH2-CG 4.26Å; W49-L101 HydrophobicContact CZ3-CD2 4.22Å; W49-L101 HydrophobicContact CZ3-CG 4.31Å; W49-L104 HydrophobicContact CE3-CD1 4.42Å |
| 50 | I | 93.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 90 Ų | 90 | 34% | 0.338 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -30 | 177.3 | -174.3 | 61 | 0 | 0 | 0 | 113.8 | P48 L53 L101 L104 V106 | P48-I50 HydrophobicContact CB-CG2 3.96Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-I50 VanDerWaalsContact O-N 3.13Å; I50-L53 HydrophobicContact CD1-CD2 4.17Å; I50-L53 WeakPolarHBondContact O-CD2 3.33Å; I50-L53 WeakPolarHBondContact O-CG 3.47Å; I50-L101 HydrophobicContact CD1-CD2 3.6Å; I50-L104 HydrophobicContact CB-CD1 3.98Å; I50-L104 HydrophobicContact CD1-CD1 4.15Å; I50-L104 HydrophobicContact CG1-CD1 4.36Å; I50-V106 HydrophobicContact CD1-CG2 3.99Å |
| 51 | E | 92.3 | Very high | 89.8 | Confident | 128 Ų | 128 | 90.8 Ų | 90.8 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -85 | -23.5 | 177.1 | -63.7 | -176.1 | 175.3 | 0 | 0 | 112.5 | L47 P48 W49 | L47-E51 HydrophobicContact CB-CB 4.35Å; L47-E51 WeakPolarHBondContact CD2-OE2 3.43Å; P48-E51 PolarHBondContact O-N 3.22Å; W49-E51 PolarHBondContact O-N 2.97Å |
| 52 | R | 92.7 | Very high | 88.6 | Confident | 113 Ų | 113 | 88.3 Ų | 88.3 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -88.3 | -38.7 | -179.2 | -63 | -170.4 | -77.2 | 133 | -2.7 | 112.1 | L47 W49 D54 | L47-R52 HydrophobicContact CB-CG 4.05Å; L47-R52 PolarHBondContact O-NE 3.04Å; W49-R52 PolarHBondContact O-N 3.03Å; R52-D54 HydrophobicContact CB-CB 4.37Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 IonicContact CZ-OD1 3.98Å; R52-D54 IonicContact CZ-OD2 3.68Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 IonicContact NH1-OD1 2.8Å; R52-D54 PolarHBondContact NH1-OD1 2.84Å; R52-D54 IonicContact NH1-OD2 3.91Å; R52-D54 PolarHBondContact NH1-OD2 3.2Å; R52-D54 PolarHBondContact O-N 3.46Å |
| 53 | L | 92.7 | Very high | 87.4 | Confident | 99 Ų | 99 | 91 Ų | 91 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | trans | 47.1 | 26.3 | -174.1 | -60.7 | 176.1 | 0 | 0 | 0 | 113.2 | W49 I50 L101 | W49-L53 PolarHBondContact O-N 3.45Å; I50-L53 HydrophobicContact CD1-CD2 4.17Å; I50-L53 WeakPolarHBondContact O-CD2 3.33Å; I50-L53 WeakPolarHBondContact O-CG 3.47Å; L53-L101 HydrophobicContact CD2-CD2 3.91Å | ||
| 54 | D | 93.1 | Very high | 85.9 | Confident | 77 Ų | 77 | 94.9 Ų | 94.9 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | trans | -85.5 | 131.2 | -175.9 | 58.6 | -21.9 | 0 | 0 | 0 | 109.8 | W49 R52 | W49-D54 PolarHBondContact NE1-O 3.06Å; R52-D54 HydrophobicContact CB-CB 4.37Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 IonicContact CZ-OD1 3.98Å; R52-D54 IonicContact CZ-OD2 3.68Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 IonicContact NH1-OD1 2.8Å; R52-D54 PolarHBondContact NH1-OD1 2.84Å; R52-D54 IonicContact NH1-OD2 3.91Å; R52-D54 PolarHBondContact NH1-OD2 3.2Å; R52-D54 PolarHBondContact O-N 3.46Å | ||
| 55 | V | 93.4 | Very high | 84.4 | Confident | 48 Ų | 48 | 93.1 Ų | 93.1 | 29% | 0.291 | 50% | 0.5 | S | S | . | . | trans | -134.7 | 118.4 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | W49 C57 A93 K96 A97 | W49-V55 HydrophobicContact CZ2-CG2 3.8Å; V55-C57 WeakPolarHBondContact CG1-SG 3.47Å; V55-A93 HydrophobicContact CB-CB 4.4Å; V55-A93 HydrophobicContact CG1-CB 4.1Å; V55-K96 HydrophobicContact CG1-CB 4.28Å; V55-A97 HydrophobicContact CG2-CB 4.1Å | ||
| 56 | T | 92.7 | Very high | 83 | Confident | 135 Ų | 135 | 90 Ų | 90 | 83% | 0.828 | 49% | 0.491 | S | S | * | . | trans | -99.3 | 114.9 | 173 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 57 | C | 88.1 | Confident | 81.5 | Confident | 29 Ų | 29 | 90.6 Ų | 90.6 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | trans | -134.6 | 145.2 | -176.5 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | V55 K96 | V55-C57 WeakPolarHBondContact CG1-SG 3.47Å; C57-K96 WeakPolarHBondContact SG-CD 3.47Å; C57-K96 WeakPolarHBondContact SG-CE 3.27Å; C57-K96 PolarHBondContact SG-NZ 3.4Å | ||
| 58 | S | 85.2 | Confident | 79.9 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 160 | 155.3 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | S92 | S58-S92 WeakPolarHBondContact O-CB 3.34Å; S58-S92 PolarHBondContact O-OG 3.41Å |
| 59 | A | 82.5 | Confident | 78.1 | Confident | 23 Ų | 23 | 93.1 Ų | 93.1 | 19% | 0.19 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 141.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F85 R88 V89 | A59-F85 HydrophobicContact CB-CD2 4.08Å; A59-F85 HydrophobicContact CB-CE2 3.47Å; A59-F85 VanDerWaalsContact CB-CE2 3.47Å; A59-F85 HydrophobicContact CB-CZ 4.02Å; A59-R88 HydrophobicContact CB-CB 4.15Å; A59-V89 HydrophobicContact CB-CG2 3.85Å |
| 60 | A | 80.6 | Confident | 76.6 | Confident | 6 Ų | 6 | 96.4 Ų | 96.4 | 5% | 0.05 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A62 R88 | A60-A62 PolarHBondContact O-N 3.07Å; A60-R88 WeakPolarHBondContact CB-O 3.35Å; A60-R88 PolarHBondContact N-O 3.18Å; A60-R88 VanDerWaalsContact N-O 3.17Å; A60-R88 PolarHBondContact O-NE 3.21Å; A60-R88 PolarHBondContact O-NH2 3.18Å |
| 61 | P | 75.3 | Confident | 75.1 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 79% | 0.786 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 135.6 | 176.2 | 24.2 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 62 | A | 69.5 | Low | 73.7 | Confident | 23 Ų | 23 | 101.8 Ų | 101.8 | 19% | 0.19 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 142.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A60 K64 | A60-A62 PolarHBondContact O-N 3.07Å; A62-K64 PolarHBondContact O-N 3.42Å |
| 63 | Q | 68.6 | Low | 72.5 | Confident | 162 Ų | 162 | 102.6 Ų | 102.6 | 76% | 0.757 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137 | 162.1 | -70.1 | -177.7 | -77.3 | 0 | 0 | 107.7 | D65 L66 | Q63-D65 PolarHBondContact O-N 3.08Å; Q63-L66 PolarHBondContact O-N 3.4Å |
| 64 | K | 62.1 | Low | 71.4 | Confident | 209 Ų | 209 | 99.8 Ų | 99.8 | 91% | 0.909 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -9.1 | -166.4 | -78.6 | 179.4 | 173.9 | 178.9 | 0 | 117.5 | A62 | A62-K64 PolarHBondContact O-N 3.42Š|
| 65 | D | 60.1 | Low | 70.8 | Confident | 152 Ų | 152 | 99.9 Ų | 99.9 | 81% | 0.813 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 4.3 | -170.2 | -56.6 | -33.8 | 0 | 0 | 0 | 114.1 | Q63 | Q63-D65 PolarHBondContact O-N 3.08Š|
| 66 | L | 57.8 | Low | 70.3 | Confident | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -119.2 | 107.8 | 174.7 | -72.1 | 163.1 | 0 | 0 | 0 | 108.2 | Q63 L68 | Q63-L66 PolarHBondContact O-N 3.4Å; L66-L68 PolarHBondContact O-N 3.45Å |
| 67 | D | 56.1 | Low | 70.1 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | trans | -21.2 | 119.7 | -176.1 | -56.9 | -42.6 | 0 | 0 | 0 | 114.3 | D69 | D67-D69 PolarHBondContact O-N 2.86Š| ||
| 68 | L | 56.2 | Low | 70.1 | Confident | 150 Ų | 150 | 103.4 Ų | 103.4 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | trans | -67.5 | 74.1 | 174.3 | -74.2 | 160 | 0 | 0 | 0 | 109.6 | L66 D70 | L66-L68 PolarHBondContact O-N 3.45Å; L68-D70 PolarHBondContact O-N 3.01Å | ||
| 69 | D | 55.9 | Low | 70.4 | Confident | 50 Ų | 50 | 103.9 Ų | 103.9 | 27% | 0.267 | 55% | 0.546 | S | S | . | . | trans | -77.9 | 106.1 | 164.8 | -68.7 | -22.2 | 0 | 0 | 0 | 106.7 | D67 H73 I74 K81 | D67-D69 PolarHBondContact O-N 2.86Å; D69-H73 HydrophobicContact CB-CB 4.31Å; D69-I74 HydrophobicContact CB-CG1 4.3Å; D69-K81 WeakPolarHBondContact OD2-CE 3.33Å; D69-K81 IonicContact OD2-NZ 2.65Å; D69-K81 PolarHBondContact OD2-NZ 3.48Å | ||
| 70 | D | 59.9 | Low | 70.6 | Confident | 119 Ų | 119 | 110 Ų | 110 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | trans | -48.7 | 149.6 | 164.5 | -75.3 | -39.8 | 0 | 0 | 0 | 109.1 | L68 Q72 H73 | L68-D70 PolarHBondContact O-N 3.01Å; D70-Q72 PolarHBondContact O-N 3.31Å; D70-H73 PolarHBondContact O-N 3.04Å | ||
| 71 | L | 61.5 | Low | 70.8 | Confident | 127 Ų | 127 | 113.3 Ų | 113.3 | 67% | 0.665 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.7 | -21.9 | -178.2 | -76.4 | 165.4 | 0 | 0 | 0 | 114.9 | F85 | L71-F85 HydrophobicContact CD2-CD2 4.38Å; L71-F85 HydrophobicContact CD2-CE1 4.36Å; L71-F85 HydrophobicContact CD2-CE2 3.25Å; L71-F85 HydrophobicContact CD2-CZ 3.24Å; L71-F85 HydrophobicContact CG-CE2 4.48Å |
| 72 | Q | 63.1 | Low | 71.5 | Confident | 181 Ų | 181 | 111 Ų | 111 | 85% | 0.846 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.7 | -179.5 | -63.5 | 178.7 | -1.9 | 0 | 0 | 114.3 | D70 | D70-Q72 PolarHBondContact O-N 3.31Š|
| 73 | H | 67.7 | Low | 72.5 | Confident | 130 Ų | 130 | 115.1 Ų | 115.1 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -113.1 | 6.8 | -174.7 | -74.2 | 84.3 | 0 | 0 | 0 | 114.1 | D69 D70 D75 | D69-H73 HydrophobicContact CB-CB 4.31Å; D70-H73 PolarHBondContact O-N 3.04Å; H73-D75 PolarHBondContact O-N 3.22Å |
| 74 | I | 70.9 | Confident | 73.4 | Confident | 39 Ų | 39 | 109.8 Ų | 109.8 | 20% | 0.2 | 55% | 0.55 | C | S | . | . | trans | -77.8 | 108.4 | 174.6 | -55.9 | 171.5 | 0 | 0 | 0 | 107.9 | D69 P76 K81 F85 | D69-I74 HydrophobicContact CB-CG1 4.3Å; I74-P76 WeakPolarHBondContact O-CD 3.43Å; I74-K81 HydrophobicContact CG2-CB 4.31Å; I74-F85 HydrophobicContact CD1-CB 3.96Å; I74-F85 HydrophobicContact CD1-CD1 4.41Å; I74-F85 HydrophobicContact CD1-CD2 3.35Å; I74-F85 HydrophobicContact CD1-CE2 3.94Å; I74-F85 HydrophobicContact CD1-CG 3.63Å | ||
| 75 | D | 79.6 | Confident | 74.6 | Confident | 80 Ų | 80 | 101.9 Ų | 101.9 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | trans | -61.6 | 116.3 | 172.6 | -171.6 | -10 | 0 | 0 | 0 | 109.4 | H73 D77 D78 | H73-D75 PolarHBondContact O-N 3.22Å; D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 PolarHBondContact OD1-N 3.43Å; D75-D78 HydrophobicContact CB-CB 4.21Å; D75-D78 PolarHBondContact O-N 3.21Å | ||
| 76 | P | 82.6 | Confident | 76.1 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.2 | 179.4 | 27.6 | -35.5 | 0 | 0 | 0 | 112.5 | I74 R82 | I74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-R82 PolarHBondContact O-NH1 3.31Å |
| 77 | D | 88.2 | Confident | 77.7 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.7 | -179.7 | -65.5 | -28.8 | 0 | 0 | 0 | 112.6 | D75 D79 | D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 PolarHBondContact OD1-N 3.43Å; D77-D79 PolarHBondContact O-N 3.25Å |
| 78 | D | 88.4 | Confident | 79.3 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 30% | 0.299 | 48% | 0.478 | S | S | . | . | trans | -85.3 | 95.7 | 172.8 | -172.8 | -12.7 | 0 | 0 | 0 | 111 | D75 F80 K81 R82 | D75-D78 HydrophobicContact CB-CB 4.21Å; D75-D78 PolarHBondContact O-N 3.21Å; D78-F80 PolarHBondContact O-N 2.98Å; D78-F80 PolarHBondContact OD1-N 3.32Å; D78-K81 HydrophobicContact CB-CB 4.22Å; D78-K81 HydrophobicContact CB-CD 4.33Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.48Å; D78-K81 PolarHBondContact OD1-N 3.21Å; D78-K81 WeakPolarHBondContact OD2-CD 3.27Å; D78-K81 VanDerWaalsContact OD2-CG 3.29Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å; D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.96Å | ||
| 79 | D | 91.4 | Very high | 81 | Confident | 99 Ų | 99 | 93.1 Ų | 93.1 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -50.7 | -39.4 | 176.5 | -74.7 | -2 | 0 | 0 | 0 | 113 | D77 R82 E83 | D77-D79 PolarHBondContact O-N 3.25Å; D79-R82 PolarHBondContact O-N 2.95Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 3.14Å; D79-R82 PolarHBondContact OD1-NH1 3.09Å; D79-R82 IonicContact OD1-NH2 3.07Å; D79-R82 PolarHBondContact OD1-NH2 3.12Å; D79-E83 VanDerWaalsContact O-CB 3.29Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.38Å; D79-E83 PolarHBondContact O-N 3.48Å |
| 80 | F | 87.4 | Confident | 82.9 | Confident | 153 Ų | 153 | 93.3 Ų | 93.3 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70.6 | -44.5 | -175 | -176.3 | -96.3 | 0 | 0 | 0 | 111.5 | D78 N84 | D78-F80 PolarHBondContact O-N 2.98Å; D78-F80 PolarHBondContact OD1-N 3.32Å; F80-N84 VanDerWaalsContact O-CB 3.26Å; F80-N84 WeakPolarHBondContact O-CB 3.28Å; F80-N84 PolarHBondContact O-N 3.09Å |
| 81 | K | 85.7 | Confident | 84.5 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 32% | 0.322 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.5 | -72.2 | -176.5 | 179 | -155.7 | 0 | 111.2 | D69 I74 D78 N84 F85 | D69-K81 WeakPolarHBondContact OD2-CE 3.33Å; D69-K81 IonicContact OD2-NZ 2.65Å; D69-K81 PolarHBondContact OD2-NZ 3.48Å; I74-K81 HydrophobicContact CG2-CB 4.31Å; D78-K81 HydrophobicContact CB-CB 4.22Å; D78-K81 HydrophobicContact CB-CD 4.33Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.48Å; D78-K81 PolarHBondContact OD1-N 3.21Å; D78-K81 WeakPolarHBondContact OD2-CD 3.27Å; D78-K81 VanDerWaalsContact OD2-CG 3.29Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å; K81-N84 PolarHBondContact O-N 3.08Å; K81-F85 WeakPolarHBondContact O-CB 3.41Å; K81-F85 PolarHBondContact O-N 3.44Å |
| 82 | R | 88.5 | Confident | 86 | Confident | 72 Ų | 72 | 86 Ų | 86 | 27% | 0.272 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 178.5 | -168.2 | 178.7 | 69.9 | -120.7 | -5.6 | 112.1 | P76 D78 D79 F85 F86 | P76-R82 PolarHBondContact O-NH1 3.31Å; D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.96Å; D79-R82 PolarHBondContact O-N 2.95Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 3.14Å; D79-R82 PolarHBondContact OD1-NH1 3.09Å; D79-R82 IonicContact OD1-NH2 3.07Å; D79-R82 PolarHBondContact OD1-NH2 3.12Å; R82-F85 WeakPolarHBondContact O-CB 3.32Å; R82-F85 PolarHBondContact O-N 2.93Å; R82-F86 HydrophobicContact CG-CD2 4.39Å; R82-F86 HydrophobicContact CG-CE1 4.35Å; R82-F86 HydrophobicContact CG-CE2 3.62Å; R82-F86 HydrophobicContact CG-CZ 3.58Å; R82-F86 WeakPolarHBondContact O-CD2 3.38Å; R82-F86 WeakPolarHBondContact O-CG 3.11Å; R82-F86 PolarHBondContact O-N 3.07Å |
| 83 | E | 91.1 | Very high | 87.5 | Confident | 111 Ų | 111 | 78.6 Ų | 78.6 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.2 | -70.4 | -60.4 | 141.4 | 0 | 0 | 112.2 | D79 F85 F86 Y87 | D79-E83 VanDerWaalsContact O-CB 3.29Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.38Å; D79-E83 PolarHBondContact O-N 3.48Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.13Å; E83-F86 PolarHBondContact O-N 3.32Å; E83-Y87 WeakPolarHBondContact O-CB 3.4Å; E83-Y87 PolarHBondContact O-N 3.02Å |
| 84 | N | 88.2 | Confident | 88.7 | Confident | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.262 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 175.4 | -173.3 | 43 | 0 | 0 | 0 | 111.9 | F80 K81 Y87 R88 | F80-N84 VanDerWaalsContact O-CB 3.26Å; F80-N84 WeakPolarHBondContact O-CB 3.28Å; F80-N84 PolarHBondContact O-N 3.09Å; K81-N84 PolarHBondContact O-N 3.08Å; N84-Y87 WeakPolarHBondContact O-CB 3.49Å; N84-Y87 PolarHBondContact O-N 3.33Å; N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 3.23Å |
| 85 | F | 87.4 | Confident | 89.8 | Confident | 44 Ų | 44 | 79.6 Ų | 79.6 | 19% | 0.193 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 173.7 | 179.6 | -99.2 | 0 | 0 | 0 | 111.9 | A59 L71 I74 K81 R82 E83 Y87 R88 V89 | A59-F85 HydrophobicContact CB-CD2 4.08Å; A59-F85 HydrophobicContact CB-CE2 3.47Å; A59-F85 VanDerWaalsContact CB-CE2 3.47Å; A59-F85 HydrophobicContact CB-CZ 4.02Å; L71-F85 HydrophobicContact CD2-CD2 4.38Å; L71-F85 HydrophobicContact CD2-CE1 4.36Å; L71-F85 HydrophobicContact CD2-CE2 3.25Å; L71-F85 HydrophobicContact CD2-CZ 3.24Å; L71-F85 HydrophobicContact CG-CE2 4.48Å; I74-F85 HydrophobicContact CD1-CB 3.96Å; I74-F85 HydrophobicContact CD1-CD1 4.41Å; I74-F85 HydrophobicContact CD1-CD2 3.35Å; I74-F85 HydrophobicContact CD1-CE2 3.94Å; I74-F85 HydrophobicContact CD1-CG 3.63Å; K81-F85 WeakPolarHBondContact O-CB 3.41Å; K81-F85 PolarHBondContact O-N 3.44Å; R82-F85 WeakPolarHBondContact O-CB 3.32Å; R82-F85 PolarHBondContact O-N 2.93Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.13Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 2.79Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 3.02Å; F85-R88 VanDerWaalsContact O-N 3.09Å; F85-V89 HydrophobicContact CD1-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.79Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.92Å |
| 86 | F | 90.5 | Very high | 90.5 | Very high | 103 Ų | 103 | 80.4 Ų | 80.4 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.6 | -61.9 | -27.8 | 0 | 0 | 0 | 112.3 | R82 E83 R88 V89 A90 | R82-F86 HydrophobicContact CG-CD2 4.39Å; R82-F86 HydrophobicContact CG-CE1 4.35Å; R82-F86 HydrophobicContact CG-CE2 3.62Å; R82-F86 HydrophobicContact CG-CZ 3.58Å; R82-F86 WeakPolarHBondContact O-CD2 3.38Å; R82-F86 WeakPolarHBondContact O-CG 3.11Å; R82-F86 PolarHBondContact O-N 3.07Å; E83-F86 PolarHBondContact O-N 3.32Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.03Å; F86-V89 PolarHBondContact O-N 3.3Å; F86-A90 WeakPolarHBondContact O-CB 3.49Å; F86-A90 PolarHBondContact O-N 3.45Å |
| 87 | Y | 92 | Very high | 91.1 | Very high | 149 Ų | 149 | 77 Ų | 77 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -58 | -44 | 174.1 | 178.8 | -100.3 | 0 | 0 | 0 | 112.1 | E83 N84 F85 A90 Q91 | E83-Y87 WeakPolarHBondContact O-CB 3.4Å; E83-Y87 PolarHBondContact O-N 3.02Å; N84-Y87 WeakPolarHBondContact O-CB 3.49Å; N84-Y87 PolarHBondContact O-N 3.33Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 2.79Å; Y87-A90 PolarHBondContact O-N 3.06Å; Y87-Q91 WeakPolarHBondContact O-CB 3.25Å; Y87-Q91 PolarHBondContact O-N 3.17Å |
| 88 | R | 90.3 | Very high | 91.4 | Very high | 46 Ų | 46 | 73.4 Ų | 73.4 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -36 | 177.2 | -71 | 170.3 | 62.7 | -166.1 | -3.7 | 113.1 | A59 A60 N84 F85 F86 Q91 S92 | A59-R88 HydrophobicContact CB-CB 4.15Å; A60-R88 WeakPolarHBondContact CB-O 3.35Å; A60-R88 PolarHBondContact N-O 3.18Å; A60-R88 VanDerWaalsContact N-O 3.17Å; A60-R88 PolarHBondContact O-NE 3.21Å; A60-R88 PolarHBondContact O-NH2 3.18Å; N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 3.23Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 3.02Å; F85-R88 VanDerWaalsContact O-N 3.09Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.03Å; R88-Q91 PolarHBondContact O-N 2.9Å; R88-S92 WeakPolarHBondContact O-CB 3.18Å; R88-S92 PolarHBondContact O-N 3.22Å |
| 89 | V | 92 | Very high | 91.8 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 173.9 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | A59 F85 F86 Q91 S92 A93 | A59-V89 HydrophobicContact CB-CG2 3.85Å; F85-V89 HydrophobicContact CD1-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.79Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.92Å; F86-V89 PolarHBondContact O-N 3.3Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.93Å; V89-S92 WeakPolarHBondContact O-CB 3.34Å; V89-S92 PolarHBondContact O-N 3.05Å; V89-A93 PolarHBondContact O-N 3.33Å |
| 90 | A | 94.2 | Very high | 91.9 | Very high | 55 Ų | 55 | 73.7 Ų | 73.7 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F86 Y87 S92 A93 V94 | F86-A90 WeakPolarHBondContact O-CB 3.49Å; F86-A90 PolarHBondContact O-N 3.45Å; Y87-A90 PolarHBondContact O-N 3.06Å; A90-S92 PolarHBondContact O-N 2.95Å; A90-A93 PolarHBondContact O-N 2.98Å; A90-V94 VanDerWaalsContact O-CG2 3.32Å; A90-V94 WeakPolarHBondContact O-CG2 3.35Å; A90-V94 PolarHBondContact O-N 2.91Å |
| 91 | Q | 93.5 | Very high | 92.3 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.9 | -173.3 | -177.6 | 35 | 0 | 0 | 112 | Y87 R88 V89 A93 V94 L95 | Y87-Q91 WeakPolarHBondContact O-CB 3.25Å; Y87-Q91 PolarHBondContact O-N 3.17Å; R88-Q91 PolarHBondContact O-N 2.9Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.93Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.37Å; Q91-V94 PolarHBondContact O-N 3.43Å; Q91-L95 HydrophobicContact CG-CD1 4.33Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 3.17Å |
| 92 | S | 93.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | S58 R88 V89 A90 L95 K96 | S58-S92 WeakPolarHBondContact O-CB 3.34Å; S58-S92 PolarHBondContact O-OG 3.41Å; R88-S92 WeakPolarHBondContact O-CB 3.18Å; R88-S92 PolarHBondContact O-N 3.22Å; V89-S92 WeakPolarHBondContact O-CB 3.34Å; V89-S92 PolarHBondContact O-N 3.05Å; A90-S92 PolarHBondContact O-N 2.95Å; S92-L95 PolarHBondContact O-N 3.07Å; S92-K96 PolarHBondContact O-N 3.48Å; S92-K96 VanDerWaalsContact O-N 3.12Å |
| 93 | A | 94.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V55 V89 A90 Q91 L95 K96 A97 | V55-A93 HydrophobicContact CB-CB 4.4Å; V55-A93 HydrophobicContact CG1-CB 4.1Å; V89-A93 PolarHBondContact O-N 3.33Å; A90-A93 PolarHBondContact O-N 2.98Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.37Å; A93-L95 PolarHBondContact O-N 2.91Å; A93-K96 PolarHBondContact O-N 3.34Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.9Å |
| 94 | V | 94.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 68.2 Ų | 68.2 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | A90 Q91 K96 A97 I98 | A90-V94 VanDerWaalsContact O-CG2 3.32Å; A90-V94 WeakPolarHBondContact O-CG2 3.35Å; A90-V94 PolarHBondContact O-N 2.91Å; Q91-V94 PolarHBondContact O-N 3.43Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.84Å; V94-A97 PolarHBondContact O-N 3.43Å; V94-I98 HydrophobicContact CG1-CD1 3.4Å; V94-I98 HydrophobicContact CG1-CG1 4.03Å; V94-I98 WeakPolarHBondContact O-CB 3.36Å; V94-I98 WeakPolarHBondContact O-CG1 3.22Å; V94-I98 PolarHBondContact O-N 3Å |
| 95 | L | 93.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 59% | 0.586 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.5 | -29.9 | 178.8 | -73.1 | 175 | 0 | 0 | 0 | 113.2 | Q91 S92 A93 P99 | Q91-L95 HydrophobicContact CG-CD1 4.33Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 3.17Å; S92-L95 PolarHBondContact O-N 3.07Å; A93-L95 PolarHBondContact O-N 2.91Å; L95-P99 WeakPolarHBondContact O-CD 3.26Å; L95-P99 VanDerWaalsContact O-CG 3.3Å; L95-P99 WeakPolarHBondContact O-CG 3.37Å |
| 96 | K | 93.4 | Very high | 94.1 | Very high | 98 Ų | 98 | 73.5 Ų | 73.5 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -82 | -41.7 | 173.6 | -65.4 | -163.2 | -161 | 165.3 | 0 | 112.7 | V55 C57 S92 A93 V94 P99 Q100 | V55-K96 HydrophobicContact CG1-CB 4.28Å; C57-K96 WeakPolarHBondContact SG-CD 3.47Å; C57-K96 WeakPolarHBondContact SG-CE 3.27Å; C57-K96 PolarHBondContact SG-NZ 3.4Å; S92-K96 PolarHBondContact O-N 3.48Å; S92-K96 VanDerWaalsContact O-N 3.12Å; A93-K96 PolarHBondContact O-N 3.34Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.84Å; K96-P99 WeakPolarHBondContact O-CD 3.42Å; K96-Q100 WeakPolarHBondContact O-CG 3.25Å |
| 97 | A | 95.1 | Very high | 94.3 | Very high | 20 Ų | 20 | 74.2 Ų | 74.2 | 17% | 0.165 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W49 V55 A93 V94 Q100 L101 | W49-A97 HydrophobicContact CH2-CB 4.33Å; W49-A97 HydrophobicContact CZ2-CB 4.42Å; V55-A97 HydrophobicContact CG2-CB 4.1Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.9Å; V94-A97 PolarHBondContact O-N 3.43Å; A97-Q100 PolarHBondContact O-N 2.83Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.86Å |
| 98 | I | 95.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 69.6 Ų | 69.6 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | -175.6 | -72.3 | 176.1 | 0 | 0 | 0 | 112 | V94 Q100 L101 H102 | V94-I98 HydrophobicContact CG1-CD1 3.4Å; V94-I98 HydrophobicContact CG1-CG1 4.03Å; V94-I98 WeakPolarHBondContact O-CB 3.36Å; V94-I98 WeakPolarHBondContact O-CG1 3.22Å; V94-I98 PolarHBondContact O-N 3Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.23Å; I98-L101 PolarHBondContact O-N 3.08Å; I98-H102 VanDerWaalsContact CG2-CE1 3.44Å; I98-H102 WeakPolarHBondContact CG2-CE1 3.16Å; I98-H102 PolarHBondContact O-N 2.87Å |
| 99 | P | 95.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 76 Ų | 76 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 176.7 | -25.6 | 35 | 0 | 0 | 0 | 113.5 | L95 K96 H102 A103 | L95-P99 WeakPolarHBondContact O-CD 3.26Å; L95-P99 VanDerWaalsContact O-CG 3.3Å; L95-P99 WeakPolarHBondContact O-CG 3.37Å; K96-P99 WeakPolarHBondContact O-CD 3.42Å; P99-H102 PolarHBondContact O-N 3.44Å; P99-A103 WeakPolarHBondContact O-CB 3.35Å; P99-A103 PolarHBondContact O-N 3.47Å |
| 100 | Q | 94.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 80.3 Ų | 80.3 | 41% | 0.407 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 177.5 | -68.9 | 178.2 | -39.6 | 0 | 0 | 112 | W49 K96 A97 I98 A103 L104 | W49-Q100 HydrophobicContact CE3-CB 4.08Å; W49-Q100 HydrophobicContact CH2-CB 3.44Å; W49-Q100 VanDerWaalsContact CH2-CB 3.44Å; W49-Q100 HydrophobicContact CH2-CG 4.31Å; W49-Q100 HydrophobicContact CZ2-CB 4.33Å; W49-Q100 HydrophobicContact CZ3-CB 3.29Å; W49-Q100 HydrophobicContact CZ3-CG 4.35Å; K96-Q100 WeakPolarHBondContact O-CG 3.25Å; A97-Q100 PolarHBondContact O-N 2.83Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.23Å; Q100-A103 PolarHBondContact O-N 3.38Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.29Å |
| 101 | L | 96.1 | Very high | 94.8 | Very high | 29 Ų | 29 | 81.6 Ų | 81.6 | 15% | 0.152 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69 | -39 | 173.9 | -71.4 | 171.3 | 0 | 0 | 0 | 112.1 | W49 I50 L53 A97 I98 A103 L104 D105 V106 T108 | W49-L101 HydrophobicContact CH2-CD2 4.48Å; W49-L101 HydrophobicContact CH2-CG 4.26Å; W49-L101 HydrophobicContact CZ3-CD2 4.22Å; W49-L101 HydrophobicContact CZ3-CG 4.31Å; I50-L101 HydrophobicContact CD1-CD2 3.6Å; L53-L101 HydrophobicContact CD2-CD2 3.91Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 3.08Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 PolarHBondContact O-N 3.17Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L101-D105 PolarHBondContact O-N 2.75Å; L101-V106 HydrophobicContact CB-CB 4.34Å; L101-V106 HydrophobicContact CD2-CB 4.29Å; L101-V106 HydrophobicContact CD2-CG1 4.35Å; L101-V106 PolarHBondContact O-N 3.32Å; L101-T108 HydrophobicContact CB-CG2 3.69Å; L101-T108 HydrophobicContact CD1-CG2 3.74Å; L101-T108 HydrophobicContact CG-CG2 4.37Å |
| 102 | H | 96.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 83.3 Ų | 83.3 | 44% | 0.44 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -34.9 | 175.1 | -68.9 | 173.2 | 0 | 0 | 0 | 112.4 | I98 P99 L104 D105 T108 | I98-H102 VanDerWaalsContact CG2-CE1 3.44Å; I98-H102 WeakPolarHBondContact CG2-CE1 3.16Å; I98-H102 PolarHBondContact O-N 2.87Å; P99-H102 PolarHBondContact O-N 3.44Å; H102-L104 PolarHBondContact O-N 2.87Å; H102-D105 PolarHBondContact O-N 2.89Å; H102-D105 VanDerWaalsContact O-N 3.1Å; H102-T108 PolarHBondContact NE2-OG1 3.06Å |
| 103 | A | 95.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 89.2 Ų | 89.2 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P99 Q100 L101 | P99-A103 WeakPolarHBondContact O-CB 3.35Å; P99-A103 PolarHBondContact O-N 3.47Å; Q100-A103 PolarHBondContact O-N 3.38Å; L101-A103 VanDerWaalsContact C-N 3.33Å |
| 104 | L | 94.9 | Very high | 95.1 | Very high | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 12.3 | 175.5 | -62 | 173.3 | 0 | 0 | 0 | 112.2 | W49 I50 Q100 L101 H102 V106 | W49-L104 HydrophobicContact CE3-CD1 4.42Å; I50-L104 HydrophobicContact CB-CD1 3.98Å; I50-L104 HydrophobicContact CD1-CD1 4.15Å; I50-L104 HydrophobicContact CG1-CD1 4.36Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.29Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 PolarHBondContact O-N 3.17Å; L101-L104 VanDerWaalsContact O-N 3.14Å; H102-L104 PolarHBondContact O-N 2.87Å; L104-V106 HydrophobicContact CB-CG2 4.13Å; L104-V106 PolarHBondContact O-N 3.43Å |
| 105 | D | 95.1 | Very high | 95 | Very high | 153 Ų | 153 | 99.4 Ų | 99.4 | 82% | 0.818 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 28 | -178.1 | -62.9 | -44.2 | 0 | 0 | 0 | 114.7 | L101 H102 | L101-D105 PolarHBondContact O-N 2.75Å; H102-D105 PolarHBondContact O-N 2.89Å; H102-D105 VanDerWaalsContact O-N 3.1Å |
| 106 | V | 95.1 | Very high | 95.1 | Very high | 51 Ų | 51 | 96 Ų | 96 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | trans | -88.3 | 124.8 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | I50 L101 L104 T108 | I50-V106 HydrophobicContact CD1-CG2 3.99Å; L101-V106 HydrophobicContact CB-CB 4.34Å; L101-V106 HydrophobicContact CD2-CB 4.29Å; L101-V106 HydrophobicContact CD2-CG1 4.35Å; L101-V106 PolarHBondContact O-N 3.32Å; L104-V106 HydrophobicContact CB-CG2 4.13Å; L104-V106 PolarHBondContact O-N 3.43Å; V106-T108 PolarHBondContact O-N 3.46Å | ||
| 107 | P | 94.9 | Very high | 95.2 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 77% | 0.766 | 54% | 0.535 | S | S | * | . | trans | -71 | 121.7 | 177.3 | 27.9 | -33.5 | 0 | 0 | 0 | 111.3 | ||||
| 108 | T | 94.5 | Very high | 95.2 | Very high | 51 Ų | 51 | 104 Ų | 104 | 31% | 0.313 | 55% | 0.549 | S | S | . | . | trans | -99.9 | -18.3 | -175.1 | 55.6 | 0 | 0 | 0 | 0 | 114.8 | L101 H102 V106 | L101-T108 HydrophobicContact CB-CG2 3.69Å; L101-T108 HydrophobicContact CD1-CG2 3.74Å; L101-T108 HydrophobicContact CG-CG2 4.37Å; H102-T108 PolarHBondContact NE2-OG1 3.06Å; V106-T108 PolarHBondContact O-N 3.46Å | ||
| 109 | K | 94.9 | Very high | 95.3 | Very high | 181 Ų | 181 | 108.3 Ų | 108.3 | 79% | 0.787 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -96.3 | 132 | -177.9 | -68.3 | -177.6 | -179.8 | 175.6 | 0 | 110.5 | P111 | K109-P111 VanDerWaalsContact O-CD 3.29Å; K109-P111 WeakPolarHBondContact O-CD 3.28Å |
| 110 | R | 94.7 | Very high | 95.4 | Very high | 135 Ų | 135 | 110.5 Ų | 110.5 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 119.9 | 172.3 | -177.5 | -177.8 | 173.5 | -165.5 | 5.2 | 110.3 | Y114 M118 | R110-Y114 PolarHBondContact NE-O 3Å; R110-Y114 PolarHBondContact NH2-O 3.09Å; R110-M118 VanDerWaalsContact NH1-CE 3.26Å; R110-M118 PolarHBondContact NH1-SD 2.82Å |
| 111 | P | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 110.9 Ų | 110.9 | 53% | 0.526 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 144.9 | 173 | -21.1 | 34.1 | 0 | 0 | 0 | 111.5 | K109 D113 Y114 | K109-P111 VanDerWaalsContact O-CD 3.29Å; K109-P111 WeakPolarHBondContact O-CD 3.28Å; P111-D113 PolarHBondContact O-N 3.15Å; P111-Y114 PolarHBondContact O-N 3.36Å |
| 112 | S | 94.8 | Very high | 95.4 | Very high | 115 Ų | 115 | 115.5 Ų | 115.5 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -22.4 | 178.2 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | Y114 F115 | S112-Y114 VanDerWaalsContact C-N 3.33Å; S112-F115 WeakPolarHBondContact O-CZ 3.41Å |
| 113 | D | 96.2 | Very high | 95.4 | Very high | 138 Ų | 138 | 116.5 Ų | 116.5 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 3.6 | 179.6 | -160.7 | 27.6 | 0 | 0 | 0 | 112.8 | P111 | P111-D113 PolarHBondContact O-N 3.15Š|
| 114 | Y | 95.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 116.5 Ų | 116.5 | 58% | 0.58 | 61% | 0.607 | S | S | * | * | trans | -99.8 | 90.5 | 179 | -168.2 | -108.3 | 0 | 0 | 0 | 111.4 | R110 P111 S112 A116 | R110-Y114 PolarHBondContact NE-O 3Å; R110-Y114 PolarHBondContact NH2-O 3.09Å; P111-Y114 PolarHBondContact O-N 3.36Å; S112-Y114 VanDerWaalsContact C-N 3.33Å; Y114-A116 HydrophobicContact CD1-CB 4.1Å; Y114-A116 HydrophobicContact CE1-CB 3.54Å; Y114-A116 PolarHBondContact O-N 3.08Å | ||
| 115 | F | 93.5 | Very high | 95.5 | Very high | 169 Ų | 169 | 116 Ų | 116 | 74% | 0.741 | 60% | 0.603 | S | S | * | * | trans | -91.1 | 70.4 | -179.4 | -57.7 | -79 | 0 | 0 | 0 | 111.9 | S112 | S112-F115 WeakPolarHBondContact O-CZ 3.41Š| ||
| 116 | A | 94.1 | Very high | 95.5 | Very high | 40 Ų | 40 | 112.6 Ų | 112.6 | 33% | 0.331 | 59% | 0.588 | S | S | . | * | trans | -86 | 160.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y114 M118 | Y114-A116 HydrophobicContact CD1-CB 4.1Å; Y114-A116 HydrophobicContact CE1-CB 3.54Å; Y114-A116 PolarHBondContact O-N 3.08Å; A116-M118 PolarHBondContact O-N 3.33Å | ||
| 117 | E | 96 | Very high | 95.5 | Very high | 193 Ų | 193 | 116.7 Ų | 116.7 | 90% | 0.902 | 60% | 0.602 | S | S | * | * | trans | -58.2 | 132.8 | 172.4 | -174 | 177.2 | -176.3 | 0 | 0 | 110.5 | ||||
| 118 | M | 96.5 | Very high | 95.4 | Very high | 93 Ų | 93 | 113 Ų | 113 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | trans | -106.7 | 154.7 | 179.1 | -61.9 | -59.2 | -68.6 | 0 | 0 | 110.1 | R110 A116 K120 | R110-M118 VanDerWaalsContact NH1-CE 3.26Å; R110-M118 PolarHBondContact NH1-SD 2.82Å; A116-M118 PolarHBondContact O-N 3.33Å; M118-K120 PolarHBondContact O-N 3.23Å | ||
| 119 | V | 96.5 | Very high | 95.4 | Very high | 153 Ų | 153 | 113.5 Ų | 113.5 | 93% | 0.927 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -53 | -30.1 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 120 | K | 96.7 | Very high | 95.2 | Very high | 120 Ų | 120 | 108.9 Ų | 108.9 | 52% | 0.522 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -121.9 | 139.4 | 177 | -64.3 | 176.4 | -178 | 175.7 | 0 | 109.4 | M118 M125 | M118-K120 PolarHBondContact O-N 3.23Å; K120-M125 HydrophobicContact CB-CG 4.44Å; K120-M125 HydrophobicContact CD-SD 4.2Å |
| 121 | T | 97.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 105.9 Ų | 105.9 | 58% | 0.583 | 56% | 0.559 | S | S | * | * | trans | -69.3 | 151.9 | 177.5 | 62 | 0 | 0 | 0 | 0 | 112.3 | D123 H124 M125 | T121-D123 VanDerWaalsContact C-N 3.28Å; T121-D123 PolarHBondContact O-N 2.88Å; T121-H124 WeakPolarHBondContact O-CB 3.32Å; T121-H124 PolarHBondContact O-N 2.82Å; T121-H124 WeakPolarHBondContact OG1-CB 3.45Å; T121-H124 PolarHBondContact OG1-N 3.2Å; T121-M125 PolarHBondContact O-N 3.24Å; T121-M125 VanDerWaalsContact O-N 3.09Å | ||
| 122 | D | 95.3 | Very high | 94.7 | Very high | 126 Ų | 126 | 106.4 Ų | 106.4 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.6 | -35.8 | 177.7 | -69.7 | -33.9 | 0 | 0 | 0 | 112.2 | H124 M125 T126 | D122-H124 VanDerWaalsContact C-N 3.26Å; D122-H124 PolarHBondContact O-N 3.45Å; D122-M125 CarbonylContact O-C 3.59Å; D122-M125 PolarHBondContact O-N 3.35Å; D122-M125 VanDerWaalsContact O-N 3.11Å; D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.12Å; D122-T126 PolarHBondContact O-OG1 2.61Å |
| 123 | D | 96.5 | Very high | 94.3 | Very high | 116 Ų | 116 | 104.5 Ų | 104.5 | 62% | 0.62 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.6 | -35.9 | 172.9 | -83.3 | -1.8 | 0 | 0 | 0 | 112.7 | T121 T126 K127 | T121-D123 VanDerWaalsContact C-N 3.28Å; T121-D123 PolarHBondContact O-N 2.88Å; D123-T126 PolarHBondContact O-OG1 2.86Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.43Å |
| 124 | H | 96.8 | Very high | 93.8 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 38% | 0.375 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.6 | -45.6 | 173.1 | 174.3 | -95.1 | 0 | 0 | 0 | 110.8 | T121 D122 T126 K127 V128 | T121-H124 WeakPolarHBondContact O-CB 3.32Å; T121-H124 PolarHBondContact O-N 2.82Å; T121-H124 WeakPolarHBondContact OG1-CB 3.45Å; T121-H124 PolarHBondContact OG1-N 3.2Å; D122-H124 VanDerWaalsContact C-N 3.26Å; D122-H124 PolarHBondContact O-N 3.45Å; H124-T126 VanDerWaalsContact C-N 3.35Å; H124-T126 PolarHBondContact O-N 2.78Å; H124-K127 WeakPolarHBondContact O-CB 3.34Å; H124-K127 PolarHBondContact O-N 2.89Å; H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 2.91Å |
| 125 | M | 94.6 | Very high | 93 | Very high | 79 Ų | 79 | 102 Ų | 102 | 39% | 0.389 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -29.6 | -178.8 | -69.6 | -54.5 | -62 | 0 | 0 | 113.7 | K120 T121 D122 V128 S129 | K120-M125 HydrophobicContact CB-CG 4.44Å; K120-M125 HydrophobicContact CD-SD 4.2Å; T121-M125 PolarHBondContact O-N 3.24Å; T121-M125 VanDerWaalsContact O-N 3.09Å; D122-M125 CarbonylContact O-C 3.59Å; D122-M125 PolarHBondContact O-N 3.35Å; D122-M125 VanDerWaalsContact O-N 3.11Å; M125-V128 PolarHBondContact O-N 2.91Å; M125-S129 VanDerWaalsContact O-CB 3.25Å; M125-S129 WeakPolarHBondContact O-CB 3.47Å; M125-S129 PolarHBondContact O-N 3.31Å; M125-S129 PolarHBondContact O-OG 2.82Å |
| 126 | T | 94.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 101.3 Ų | 101.3 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 172.1 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | D122 D123 H124 L130 | D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.12Å; D122-T126 PolarHBondContact O-OG1 2.61Å; D123-T126 PolarHBondContact O-OG1 2.86Å; H124-T126 VanDerWaalsContact C-N 3.35Å; H124-T126 PolarHBondContact O-N 2.78Å; T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 3.39Å |
| 127 | K | 95.6 | Very high | 92 | Very high | 137 Ų | 137 | 103.5 Ų | 103.5 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 172.8 | -68.6 | 168.9 | -172.8 | 170.2 | 0 | 111.6 | D123 H124 L130 I131 | D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.43Å; H124-K127 WeakPolarHBondContact O-CB 3.34Å; H124-K127 PolarHBondContact O-N 2.89Å; K127-L130 PolarHBondContact O-N 3.46Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.4Å |
| 128 | V | 93.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | H124 M125 L130 I131 I132 | H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 2.91Å; M125-V128 PolarHBondContact O-N 2.91Å; V128-L130 VanDerWaalsContact C-N 3.31Å; V128-L130 PolarHBondContact O-N 3.39Å; V128-I131 PolarHBondContact O-N 2.84Å; V128-I131 VanDerWaalsContact O-N 3.12Å; V128-I132 HydrophobicContact CG1-CD1 3.58Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.42Å |
| 129 | S | 92.6 | Very high | 91.4 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | M125 I131 I132 V133 | M125-S129 VanDerWaalsContact O-CB 3.25Å; M125-S129 WeakPolarHBondContact O-CB 3.47Å; M125-S129 PolarHBondContact O-N 3.31Å; M125-S129 PolarHBondContact O-OG 2.82Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.46Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-V133 VanDerWaalsContact O-CB 3.3Å; S129-V133 WeakPolarHBondContact O-CB 3.46Å; S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.43Å; S129-V133 PolarHBondContact O-N 3.3Å |
| 130 | L | 92.5 | Very high | 91.1 | Very high | 84 Ų | 84 | 93.6 Ų | 93.6 | 44% | 0.44 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.9 | -178.4 | 146.6 | 0 | 0 | 0 | 111.6 | T126 K127 V128 K134 | T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 3.39Å; K127-L130 PolarHBondContact O-N 3.46Å; V128-L130 VanDerWaalsContact C-N 3.31Å; V128-L130 PolarHBondContact O-N 3.39Å; L130-K134 HydrophobicContact CD1-CD 4.47Å; L130-K134 VanDerWaalsContact CD1-NZ 3.26Å; L130-K134 HydrophobicContact CD2-CD 3.82Å; L130-K134 HydrophobicContact CG-CD 3.75Å; L130-K134 HydrophobicContact CG-CG 4.43Å; L130-K134 WeakPolarHBondContact O-CB 3.34Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 2.85Å |
| 131 | I | 91 | Very high | 90.9 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 175.9 | -70 | 164.6 | 0 | 0 | 0 | 110.5 | K127 V128 S129 K135 Y136 | K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.4Å; V128-I131 PolarHBondContact O-N 2.84Å; V128-I131 VanDerWaalsContact O-N 3.12Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.46Å; I131-K135 HydrophobicContact CG2-CD 4.18Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CA 3.41Å; I131-K135 VanDerWaalsContact O-CB 3.24Å; I131-K135 WeakPolarHBondContact O-CB 3.18Å; I131-K135 PolarHBondContact O-N 3.03Å; I131-Y136 HydrophobicContact CG2-CE2 4.48Å |
| 132 | I | 89.7 | Confident | 90.7 | Very high | 93 Ų | 93 | 95.2 Ų | 95.2 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -61.4 | -51.6 | -178 | -67.1 | 171.1 | 0 | 0 | 0 | 111.1 | V128 S129 Y136 L137 | V128-I132 HydrophobicContact CG1-CD1 3.58Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.42Å; S129-I132 PolarHBondContact O-N 2.81Å; I132-Y136 WeakPolarHBondContact O-CB 3.48Å; I132-Y136 PolarHBondContact O-N 3.16Å; I132-Y136 VanDerWaalsContact O-N 3.15Å; I132-L137 PolarHBondContact O-N 2.81Å; I132-L137 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 86.1 | Confident | 90.6 | Very high | 74 Ų | 74 | 95.7 Ų | 95.7 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | I | π-helix | trans | -67 | -47.8 | -178.2 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | S129 L137 I138 | S129-V133 VanDerWaalsContact O-CB 3.3Å; S129-V133 WeakPolarHBondContact O-CB 3.46Å; S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.43Å; S129-V133 PolarHBondContact O-N 3.3Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; V133-I138 HydrophobicContact CG1-CD1 4.33Å; V133-I138 WeakPolarHBondContact O-CG1 3.24Å; V133-I138 PolarHBondContact O-N 3.45Å; V133-I138 VanDerWaalsContact O-N 3.1Å |
| 134 | K | 84.2 | Confident | 90.5 | Very high | 117 Ų | 117 | 96 Ų | 96 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -73.7 | -54 | -175.8 | -66.2 | -178.4 | -178.9 | 171.8 | 0 | 112.4 | L130 I138 E139 | L130-K134 HydrophobicContact CD1-CD 4.47Å; L130-K134 VanDerWaalsContact CD1-NZ 3.26Å; L130-K134 HydrophobicContact CD2-CD 3.82Å; L130-K134 HydrophobicContact CG-CD 3.75Å; L130-K134 HydrophobicContact CG-CG 4.43Å; L130-K134 WeakPolarHBondContact O-CB 3.34Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 2.85Å; K134-I138 WeakPolarHBondContact O-CB 3.28Å; K134-E139 PolarHBondContact O-N 3.27Å |
| 135 | K | 80.3 | Confident | 90.4 | Very high | 117 Ų | 117 | 93.8 Ų | 93.8 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | I | π-helix | trans | -75.4 | -55.2 | -173.1 | -64.1 | -164.4 | 179.5 | 179.9 | 0 | 110.9 | I131 E139 | I131-K135 HydrophobicContact CG2-CD 4.18Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CA 3.41Å; I131-K135 VanDerWaalsContact O-CB 3.24Å; I131-K135 WeakPolarHBondContact O-CB 3.18Å; I131-K135 PolarHBondContact O-N 3.03Å; K135-E139 WeakPolarHBondContact O-CB 3.35Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.33Å |
| 136 | Y | 82.1 | Confident | 90.4 | Very high | 155 Ų | 155 | 95 Ų | 95 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | I | π-helix | trans | -78.9 | -53.7 | -172 | -65.4 | -72.3 | 0 | 0 | 0 | 111.4 | I131 I132 T140 | I131-Y136 HydrophobicContact CG2-CE2 4.48Å; I132-Y136 WeakPolarHBondContact O-CB 3.48Å; I132-Y136 PolarHBondContact O-N 3.16Å; I132-Y136 VanDerWaalsContact O-N 3.15Å; Y136-T140 WeakPolarHBondContact O-CB 3.11Å; Y136-T140 WeakPolarHBondContact O-CG2 3.49Å; Y136-T140 PolarHBondContact O-N 3.02Å; Y136-T140 PolarHBondContact O-OG1 3.45Å |
| 137 | L | 84.3 | Confident | 90.4 | Very high | 86 Ų | 86 | 100.6 Ų | 100.6 | 45% | 0.45 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -74.4 | -47.5 | -172.4 | -170.1 | 63.4 | 0 | 0 | 0 | 113.4 | I132 V133 T140 K141 | I132-L137 PolarHBondContact O-N 2.81Å; I132-L137 VanDerWaalsContact O-N 3.12Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-OG1 3.43Å; L137-K141 HydrophobicContact CD1-CD 4.14Å; L137-K141 HydrophobicContact CG-CD 4.28Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 VanDerWaalsContact O-CG 3.23Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.32Å |
| 138 | I | 89 | Confident | 90.3 | Very high | 72 Ų | 72 | 97.7 Ų | 97.7 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -74.5 | -47.2 | -175.5 | -65.2 | 171.1 | 0 | 0 | 0 | 111.1 | V133 K134 K141 Q142 | V133-I138 HydrophobicContact CG1-CD1 4.33Å; V133-I138 WeakPolarHBondContact O-CG1 3.24Å; V133-I138 PolarHBondContact O-N 3.45Å; V133-I138 VanDerWaalsContact O-N 3.1Å; K134-I138 WeakPolarHBondContact O-CB 3.28Å; I138-K141 PolarHBondContact O-N 3.23Å; I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 VanDerWaalsContact CG2-NE2 3.3Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.24Å; I138-Q142 WeakPolarHBondContact O-CG 3.5Å; I138-Q142 PolarHBondContact O-N 3.46Å |
| 139 | E | 89.9 | Confident | 90.4 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -38.9 | -178 | -54.5 | 176.7 | -175.8 | 0 | 0 | 112.2 | K134 K135 Q142 K143 | K134-E139 PolarHBondContact O-N 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.35Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.33Å; E139-Q142 PolarHBondContact O-N 2.75Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.23Å; E139-K143 WeakPolarHBondContact O-CG 3.44Å; E139-K143 PolarHBondContact O-N 2.93Å |
| 140 | T | 90.5 | Very high | 90.5 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | Y136 L137 Q142 K143 L144 | Y136-T140 WeakPolarHBondContact O-CB 3.11Å; Y136-T140 WeakPolarHBondContact O-CG2 3.49Å; Y136-T140 PolarHBondContact O-N 3.02Å; Y136-T140 PolarHBondContact O-OG1 3.45Å; L137-T140 PolarHBondContact O-OG1 3.43Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.08Å; T140-K143 PolarHBondContact O-N 2.94Å; T140-L144 WeakPolarHBondContact O-CB 3.39Å; T140-L144 PolarHBondContact O-N 3.3Å |
| 141 | K | 92.6 | Very high | 90.6 | Very high | 134 Ų | 134 | 103.3 Ų | 103.3 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 175 | -75.8 | -178.7 | 174.9 | -179.4 | 0 | 111.9 | L137 I138 A145 | L137-K141 HydrophobicContact CD1-CD 4.14Å; L137-K141 HydrophobicContact CG-CD 4.28Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 VanDerWaalsContact O-CG 3.23Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.32Å; I138-K141 PolarHBondContact O-N 3.23Å; K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.44Å; K141-A145 PolarHBondContact O-N 3.42Å |
| 142 | Q | 93.4 | Very high | 90.8 | Very high | 115 Ų | 115 | 103.5 Ų | 103.5 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.5 | -75.1 | 179.3 | 4.7 | 0 | 0 | 112.2 | I138 E139 T140 L144 A145 L146 | I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 VanDerWaalsContact CG2-NE2 3.3Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.24Å; I138-Q142 WeakPolarHBondContact O-CG 3.5Å; I138-Q142 PolarHBondContact O-N 3.46Å; E139-Q142 PolarHBondContact O-N 2.75Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.08Å; Q142-L144 PolarHBondContact O-N 2.86Å; Q142-A145 PolarHBondContact O-N 3.39Å; Q142-L146 WeakPolarHBondContact O-CB 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.32Å; Q142-L146 PolarHBondContact O-N 3.33Å |
| 143 | K | 92.7 | Very high | 91.1 | Very high | 136 Ų | 136 | 103.1 Ų | 103.1 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 176.7 | -75.8 | 172.4 | -177.5 | 172.8 | 0 | 111.2 | E139 T140 L146 R147 | E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.23Å; E139-K143 WeakPolarHBondContact O-CG 3.44Å; E139-K143 PolarHBondContact O-N 2.93Å; T140-K143 PolarHBondContact O-N 2.94Å; K143-L146 PolarHBondContact O-N 2.83Å; K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.33Å |
| 144 | L | 93.5 | Very high | 91.5 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -48 | 175.8 | -168.7 | 154.8 | 0 | 0 | 0 | 111 | T140 Q142 L146 R147 E148 | T140-L144 WeakPolarHBondContact O-CB 3.39Å; T140-L144 PolarHBondContact O-N 3.3Å; Q142-L144 PolarHBondContact O-N 2.86Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.36Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 3.46Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.44Å |
| 145 | A | 95 | Very high | 92 | Very high | 34 Ų | 34 | 105.7 Ų | 105.7 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K141 Q142 R149 | K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.44Å; K141-A145 PolarHBondContact O-N 3.42Å; Q142-A145 PolarHBondContact O-N 3.39Å; A145-R149 WeakPolarHBondContact O-CB 3.24Å; A145-R149 VanDerWaalsContact O-CG 3.26Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 2.89Å |
| 146 | L | 94.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -43.6 | 174.5 | -74.1 | 171 | 0 | 0 | 0 | 111.6 | Q142 K143 L144 E148 R149 A150 | Q142-L146 WeakPolarHBondContact O-CB 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.32Å; Q142-L146 PolarHBondContact O-N 3.33Å; K143-L146 PolarHBondContact O-N 2.83Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.36Å; L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.91Å; L146-R149 PolarHBondContact O-N 3.5Å; L146-A150 VanDerWaalsContact O-CB 3.31Å; L146-A150 WeakPolarHBondContact O-CB 3.13Å; L146-A150 PolarHBondContact O-N 3.1Å |
| 147 | R | 94.6 | Very high | 93.1 | Very high | 199 Ų | 199 | 111.1 Ų | 111.1 | 75% | 0.751 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.8 | -44.6 | 175.2 | -178.1 | 178 | 177.3 | 173.1 | -0.5 | 110.9 | K143 L144 A150 R151 | K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.33Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 3.46Å; R147-A150 PolarHBondContact O-N 3.41Å; R147-R151 PolarHBondContact O-N 3.48Å |
| 148 | E | 95.1 | Very high | 93.6 | Very high | 76 Ų | 76 | 114.5 Ų | 114.5 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 179.8 | -170.7 | 52.9 | -146.6 | 0 | 0 | 112 | L144 L146 A150 R151 Q152 | L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.44Å; L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.91Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.13Å; E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 VanDerWaalsContact O-N 3.1Å; E148-Q152 WeakPolarHBondContact O-CG 3.35Å; E148-Q152 PolarHBondContact O-N 3.1Å |
| 149 | R | 95 | Very high | 93.8 | Very high | 124 Ų | 124 | 115.2 Ų | 115.2 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 172.6 | -74.7 | 174.9 | -174.3 | 140.3 | 0.7 | 112.2 | A145 L146 R151 Q152 I153 | A145-R149 WeakPolarHBondContact O-CB 3.24Å; A145-R149 VanDerWaalsContact O-CG 3.26Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 2.89Å; L146-R149 PolarHBondContact O-N 3.5Å; R149-R151 VanDerWaalsContact C-N 3.33Å; R149-Q152 PolarHBondContact O-N 3.33Å; R149-I153 WeakPolarHBondContact O-CB 3.29Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.39Å |
| 150 | A | 94.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 112.7 Ų | 112.7 | 35% | 0.347 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L146 R147 E148 R154 | L146-A150 VanDerWaalsContact O-CB 3.31Å; L146-A150 WeakPolarHBondContact O-CB 3.13Å; L146-A150 PolarHBondContact O-N 3.1Å; R147-A150 PolarHBondContact O-N 3.41Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.13Å; A150-R154 WeakPolarHBondContact O-CB 3.43Å; A150-R154 WeakPolarHBondContact O-CG 3.2Å; A150-R154 PolarHBondContact O-N 3.29Å; A150-R154 PolarHBondContact O-NE 3.38Å; A150-R154 VanDerWaalsContact O-NE 3.14Å |
| 151 | R | 95.2 | Very high | 94.3 | Very high | 137 Ų | 137 | 117.4 Ų | 117.4 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -50.7 | 171 | -175.3 | -175.8 | 179.5 | 165.7 | 5.8 | 110.7 | R147 E148 R149 I153 R154 E155 | R147-R151 PolarHBondContact O-N 3.48Å; E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 VanDerWaalsContact O-N 3.1Å; R149-R151 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 2.94Å; R151-R154 WeakPolarHBondContact O-CB 3.28Å; R151-R154 PolarHBondContact O-N 2.81Å; R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 2.74Å; R151-E155 IonicContact NE-OE1 2.91Å; R151-E155 PolarHBondContact NE-OE1 3.36Å; R151-E155 VanDerWaalsContact NE-OE1 3.07Å; R151-E155 PolarHBondContact O-N 2.94Å |
| 152 | Q | 94.9 | Very high | 94.4 | Very high | 76 Ų | 76 | 116.7 Ų | 116.7 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 178.5 | -67.7 | 175.1 | 11.8 | 0 | 0 | 112.9 | E148 R149 R154 E155 R156 | E148-Q152 WeakPolarHBondContact O-CG 3.35Å; E148-Q152 PolarHBondContact O-N 3.1Å; R149-Q152 PolarHBondContact O-N 3.33Å; Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.23Å; Q152-E155 PolarHBondContact O-N 2.92Å; Q152-R156 WeakPolarHBondContact O-CB 3.1Å; Q152-R156 VanDerWaalsContact O-CG 3.25Å; Q152-R156 WeakPolarHBondContact O-CG 3.24Å; Q152-R156 PolarHBondContact O-N 2.83Å |
| 153 | I | 94.7 | Very high | 94.5 | Very high | 85 Ų | 85 | 115.2 Ų | 115.2 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.8 | -69.8 | 165.5 | 0 | 0 | 0 | 110.9 | R149 R151 R157 | R149-I153 WeakPolarHBondContact O-CB 3.29Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.39Å; R151-I153 PolarHBondContact O-N 2.94Å; I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 VanDerWaalsContact O-CG 3.27Å; I153-R157 WeakPolarHBondContact O-CG 3.26Å; I153-R157 PolarHBondContact O-N 3.19Å |
| 154 | R | 94.6 | Very high | 94.5 | Very high | 160 Ų | 160 | 113.6 Ų | 113.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -46.4 | 176.6 | -79.9 | -178.4 | -81.6 | 172.8 | -6.7 | 111.5 | A150 R151 Q152 R157 K158 | A150-R154 WeakPolarHBondContact O-CB 3.43Å; A150-R154 WeakPolarHBondContact O-CG 3.2Å; A150-R154 PolarHBondContact O-N 3.29Å; A150-R154 PolarHBondContact O-NE 3.38Å; A150-R154 VanDerWaalsContact O-NE 3.14Å; R151-R154 WeakPolarHBondContact O-CB 3.28Å; R151-R154 PolarHBondContact O-N 2.81Å; Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.23Å; R154-R157 PolarHBondContact O-N 2.91Å; R154-K158 WeakPolarHBondContact O-CB 3.28Å; R154-K158 PolarHBondContact O-N 2.92Å |
| 155 | E | 94.6 | Very high | 94.6 | Very high | 84 Ų | 84 | 113.4 Ų | 113.4 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.8 | -71.5 | 169 | -177.4 | 0 | 0 | 111.4 | R151 Q152 R157 K158 F159 | R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 2.74Å; R151-E155 IonicContact NE-OE1 2.91Å; R151-E155 PolarHBondContact NE-OE1 3.36Å; R151-E155 VanDerWaalsContact NE-OE1 3.07Å; R151-E155 PolarHBondContact O-N 2.94Å; Q152-E155 PolarHBondContact O-N 2.92Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.93Å; E155-K158 PolarHBondContact O-N 3.5Å; E155-F159 WeakPolarHBondContact O-CD2 3.4Å; E155-F159 PolarHBondContact O-N 2.9Å |
| 156 | R | 92.2 | Very high | 94.6 | Very high | 182 Ų | 182 | 113.9 Ų | 113.9 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -35.8 | 174.7 | -73.1 | 176.5 | -174.2 | -168.1 | 2.7 | 113.1 | Q152 G160 | Q152-R156 WeakPolarHBondContact O-CB 3.1Å; Q152-R156 VanDerWaalsContact O-CG 3.25Å; Q152-R156 WeakPolarHBondContact O-CG 3.24Å; Q152-R156 PolarHBondContact O-N 2.83Å; R156-G160 WeakPolarHBondContact O-CA 3.48Å; R156-G160 PolarHBondContact O-N 3.33Å |
| 157 | R | 93.7 | Very high | 94.6 | Very high | 204 Ų | 204 | 111.2 Ų | 111.2 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.9 | -41.4 | 175.7 | -75.1 | 175.4 | -178.6 | -174.7 | 2.1 | 112 | I153 R154 E155 | I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 VanDerWaalsContact O-CG 3.27Å; I153-R157 WeakPolarHBondContact O-CG 3.26Å; I153-R157 PolarHBondContact O-N 3.19Å; R154-R157 PolarHBondContact O-N 2.91Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.93Å |
| 158 | K | 95.8 | Very high | 94.6 | Very high | 158 Ų | 158 | 104.9 Ų | 104.9 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -48 | 179.4 | -173.9 | 176.6 | 178.7 | -178.1 | 0 | 111.4 | R154 E155 | R154-K158 WeakPolarHBondContact O-CB 3.28Å; R154-K158 PolarHBondContact O-N 2.92Å; E155-K158 PolarHBondContact O-N 3.5Å |
| 159 | F | 93.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 106.7 Ų | 106.7 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -99.2 | -3.5 | -173.9 | -62.1 | -70.7 | 0 | 0 | 0 | 114 | E155 K161 Q162 V163 | E155-F159 WeakPolarHBondContact O-CD2 3.4Å; E155-F159 PolarHBondContact O-N 2.9Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; F159-Q162 PolarHBondContact O-N 3.35Å; F159-V163 HydrophobicContact CB-CG2 4.25Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 2.96Å |
| 160 | G | 94.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 103.8 Ų | 103.8 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.4 | -37.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R156 Q164 | R156-G160 WeakPolarHBondContact O-CA 3.48Å; R156-G160 PolarHBondContact O-N 3.33Å; G160-Q164 VanDerWaalsContact O-CB 3.32Å; G160-Q164 WeakPolarHBondContact O-CB 3.47Å; G160-Q164 PolarHBondContact O-N 2.9Å |
| 161 | K | 95.2 | Very high | 94.4 | Very high | 175 Ų | 175 | 108 Ų | 108 | 76% | 0.761 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -44.1 | 175.5 | -70.2 | -173.3 | 179.2 | -178.4 | 0 | 112.1 | F159 Q164 Q165 | F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; K161-Q164 PolarHBondContact O-N 2.83Å; K161-Q165 WeakPolarHBondContact O-CG 3.26Å; K161-Q165 PolarHBondContact O-N 3.45Å |
| 162 | Q | 94.6 | Very high | 94.4 | Very high | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 178.9 | -66.7 | 178 | -0.7 | 0 | 0 | 110.9 | F159 Q164 Q165 A166 | F159-Q162 PolarHBondContact O-N 3.35Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.45Å; Q162-Q165 PolarHBondContact O-N 2.89Å; Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 3.29Å |
| 163 | V | 94.9 | Very high | 94.4 | Very high | 83 Ų | 83 | 110.2 Ų | 110.2 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.5 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | F159 Q165 A166 V167 | F159-V163 HydrophobicContact CB-CG2 4.25Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 2.96Å; V163-Q165 PolarHBondContact O-N 3.47Å; V163-A166 PolarHBondContact O-N 2.73Å; V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.17Å; V163-V167 PolarHBondContact O-N 3.3Å |
| 164 | Q | 93 | Very high | 94.2 | Very high | 102 Ų | 102 | 109.5 Ų | 109.5 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -40 | 177.5 | -174.3 | 62.1 | 53.6 | 0 | 0 | 112.6 | G160 K161 Q162 N168 | G160-Q164 VanDerWaalsContact O-CB 3.32Å; G160-Q164 WeakPolarHBondContact O-CB 3.47Å; G160-Q164 PolarHBondContact O-N 2.9Å; K161-Q164 PolarHBondContact O-N 2.83Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.45Å; Q164-N168 PolarHBondContact NE2-ND2 2.88Å; Q164-N168 PolarHBondContact NE2-OD1 2.97Å; Q164-N168 WeakPolarHBondContact O-CB 3.23Å; Q164-N168 PolarHBondContact O-N 3.12Å; Q164-N168 PolarHBondContact O-ND2 3.32Å |
| 165 | Q | 95.1 | Very high | 94 | Very high | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -47.1 | 176.2 | -75.1 | 174.2 | -17.5 | 0 | 0 | 111.4 | K161 Q162 V163 N168 Q169 | K161-Q165 WeakPolarHBondContact O-CG 3.26Å; K161-Q165 PolarHBondContact O-N 3.45Å; Q162-Q165 PolarHBondContact O-N 2.89Å; V163-Q165 PolarHBondContact O-N 3.47Å; Q165-N168 PolarHBondContact O-N 3.1Å; Q165-N168 VanDerWaalsContact O-N 3.17Å; Q165-Q169 WeakPolarHBondContact O-CG 3.49Å; Q165-Q169 PolarHBondContact O-N 3.13Å |
| 166 | A | 95.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 112.4 Ų | 112.4 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q162 V163 N168 Q169 T170 | Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 3.29Å; V163-A166 PolarHBondContact O-N 2.73Å; A166-N168 VanDerWaalsContact C-N 3.26Å; A166-N168 PolarHBondContact O-N 3.39Å; A166-Q169 WeakPolarHBondContact O-CB 2.99Å; A166-Q169 PolarHBondContact O-N 3.22Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; A166-T170 WeakPolarHBondContact O-CG2 3.4Å; A166-T170 PolarHBondContact O-N 3.42Å; A166-T170 PolarHBondContact O-OG1 2.9Å |
| 167 | V | 95.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 109.8 Ų | 109.8 | 30% | 0.303 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 112 | V163 T170 R171 | V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.17Å; V163-V167 PolarHBondContact O-N 3.3Å; V167-T170 PolarHBondContact O-OG1 3.33Å; V167-T170 VanDerWaalsContact O-OG1 3.06Å; V167-R171 WeakPolarHBondContact O-CB 3.18Å; V167-R171 WeakPolarHBondContact O-CD 3.37Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.2Å; V167-R171 VanDerWaalsContact O-N 3.15Å |
| 168 | N | 94.7 | Very high | 93.6 | Very high | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.353 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.6 | -33.9 | 176.3 | -73.8 | -16.7 | 0 | 0 | 0 | 112.3 | Q164 Q165 A166 K172 | Q164-N168 PolarHBondContact NE2-ND2 2.88Å; Q164-N168 PolarHBondContact NE2-OD1 2.97Å; Q164-N168 WeakPolarHBondContact O-CB 3.23Å; Q164-N168 PolarHBondContact O-N 3.12Å; Q164-N168 PolarHBondContact O-ND2 3.32Å; Q165-N168 PolarHBondContact O-N 3.1Å; Q165-N168 VanDerWaalsContact O-N 3.17Å; A166-N168 VanDerWaalsContact C-N 3.26Å; A166-N168 PolarHBondContact O-N 3.39Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.16Å; N168-K172 PolarHBondContact O-N 2.91Å; N168-K172 VanDerWaalsContact O-N 3.09Å |
| 169 | Q | 95.5 | Very high | 93.3 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -49.9 | 175 | -74.4 | 169.1 | -3.7 | 0 | 0 | 110.8 | Q165 A166 R171 K172 E173 | Q165-Q169 WeakPolarHBondContact O-CG 3.49Å; Q165-Q169 PolarHBondContact O-N 3.13Å; A166-Q169 WeakPolarHBondContact O-CB 2.99Å; A166-Q169 PolarHBondContact O-N 3.22Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; Q169-R171 VanDerWaalsContact C-N 3.31Å; Q169-R171 PolarHBondContact O-N 2.94Å; Q169-K172 WeakPolarHBondContact O-CA 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.42Å; Q169-K172 PolarHBondContact O-N 3.23Å; Q169-E173 WeakPolarHBondContact O-CG 3.18Å; Q169-E173 PolarHBondContact O-N 2.78Å |
| 170 | T | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 98.8 Ų | 98.8 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.8 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | A166 V167 K172 E173 E174 | A166-T170 WeakPolarHBondContact O-CG2 3.4Å; A166-T170 PolarHBondContact O-N 3.42Å; A166-T170 PolarHBondContact O-OG1 2.9Å; V167-T170 PolarHBondContact O-OG1 3.33Å; V167-T170 VanDerWaalsContact O-OG1 3.06Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.36Å; T170-E173 PolarHBondContact O-N 3.33Å; T170-E174 WeakPolarHBondContact O-CB 3.34Å; T170-E174 VanDerWaalsContact O-CG 3.28Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 3.06Å |
| 171 | R | 92.1 | Very high | 92.8 | Very high | 129 Ų | 129 | 98.4 Ų | 98.4 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -36.5 | 174.5 | -76.3 | 173.4 | 178.9 | -178 | -0.4 | 113.6 | V167 Q169 K175 | V167-R171 WeakPolarHBondContact O-CB 3.18Å; V167-R171 WeakPolarHBondContact O-CD 3.37Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.2Å; V167-R171 VanDerWaalsContact O-N 3.15Å; Q169-R171 VanDerWaalsContact C-N 3.31Å; Q169-R171 PolarHBondContact O-N 2.94Å; R171-K175 WeakPolarHBondContact O-CB 3.3Å; R171-K175 VanDerWaalsContact O-CG 3.24Å; R171-K175 WeakPolarHBondContact O-CG 3.48Å; R171-K175 PolarHBondContact O-N 3.17Å; R171-K175 VanDerWaalsContact O-N 3.08Å |
| 172 | K | 94.4 | Very high | 92.3 | Very high | 155 Ų | 155 | 92.4 Ų | 92.4 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.4 | -41.5 | 176.4 | -78.3 | 176.3 | 179.8 | -173.5 | 0 | 110.9 | N168 Q169 T170 K175 R176 | N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.16Å; N168-K172 PolarHBondContact O-N 2.91Å; N168-K172 VanDerWaalsContact O-N 3.09Å; Q169-K172 WeakPolarHBondContact O-CA 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.42Å; Q169-K172 PolarHBondContact O-N 3.23Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.36Å; K172-K175 PolarHBondContact O-N 3.11Å; K172-R176 WeakPolarHBondContact O-CB 3.25Å; K172-R176 PolarHBondContact O-N 3.44Å |
| 173 | E | 94.4 | Very high | 91.9 | Very high | 106 Ų | 106 | 93.4 Ų | 93.4 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.3 | -71.7 | 170.4 | -165.1 | 0 | 0 | 111.8 | Q169 T170 R176 K177 | Q169-E173 WeakPolarHBondContact O-CG 3.18Å; Q169-E173 PolarHBondContact O-N 2.78Å; T170-E173 PolarHBondContact O-N 3.33Å; E173-R176 WeakPolarHBondContact O-CB 3.34Å; E173-R176 PolarHBondContact O-N 3.07Å; E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.45Å |
| 174 | E | 89.8 | Confident | 91.4 | Very high | 70 Ų | 70 | 92 Ų | 92 | 33% | 0.327 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 173.6 | -74.3 | 165.8 | -156 | 0 | 0 | 111.5 | T170 R176 K177 L178 Y208 | T170-E174 WeakPolarHBondContact O-CB 3.34Å; T170-E174 VanDerWaalsContact O-CG 3.28Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 3.06Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.42Å; E174-K177 PolarHBondContact O-N 3.38Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 2.79Å; E174-Y208 PolarHBondContact OE2-OH 2.82Å |
| 175 | K | 91.9 | Very high | 90.8 | Very high | 143 Ų | 143 | 87.6 Ų | 87.6 | 62% | 0.622 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | 174.5 | -77.2 | 179.6 | -180 | -168.6 | 0 | 111.9 | R171 K172 L178 T179 | R171-K175 WeakPolarHBondContact O-CB 3.3Å; R171-K175 VanDerWaalsContact O-CG 3.24Å; R171-K175 WeakPolarHBondContact O-CG 3.48Å; R171-K175 PolarHBondContact O-N 3.17Å; R171-K175 VanDerWaalsContact O-N 3.08Å; K172-K175 PolarHBondContact O-N 3.11Å; K175-L178 PolarHBondContact O-N 2.83Å; K175-T179 WeakPolarHBondContact O-CG2 3.48Å; K175-T179 PolarHBondContact O-N 2.87Å; K175-T179 PolarHBondContact O-OG1 3.36Å |
| 176 | R | 92.5 | Very high | 90 | Very high | 161 Ų | 161 | 89.4 Ų | 89.4 | 61% | 0.608 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62 | -50.6 | 177.2 | -178.4 | 179.6 | 171.6 | -177.4 | -2.9 | 110.6 | K172 E173 E174 L178 T179 E180 | K172-R176 WeakPolarHBondContact O-CB 3.25Å; K172-R176 PolarHBondContact O-N 3.44Å; E173-R176 WeakPolarHBondContact O-CB 3.34Å; E173-R176 PolarHBondContact O-N 3.07Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.42Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.12Å; R176-T179 WeakPolarHBondContact CA-OG1 3.45Å; R176-T179 PolarHBondContact O-N 2.55Å; R176-T179 VanDerWaalsContact O-N 3.12Å; R176-T179 PolarHBondContact O-OG1 3.4Å; R176-E180 HydrophobicContact CG-CG 4.36Å; R176-E180 WeakPolarHBondContact CG-OE1 3.4Å; R176-E180 IonicContact CZ-OE1 3.42Å; R176-E180 IonicContact NE-OE1 2.75Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.19Å; R176-E180 PolarHBondContact NH2-OE1 3.27Å; R176-E180 WeakPolarHBondContact O-CB 3.33Å; R176-E180 WeakPolarHBondContact O-CG 3.26Å; R176-E180 PolarHBondContact O-N 3.15Å |
| 177 | K | 91 | Very high | 89.1 | Confident | 127 Ų | 127 | 95.7 Ų | 95.7 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.7 | -45 | 175.8 | -72.9 | 175.3 | -178.4 | 179.9 | 0 | 111.6 | E173 E174 E180 A181 F204 | E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.45Å; E174-K177 PolarHBondContact O-N 3.38Å; K177-E180 PolarHBondContact O-N 3.09Å; K177-A181 VanDerWaalsContact O-CB 3.23Å; K177-A181 WeakPolarHBondContact O-CB 3.46Å; K177-A181 PolarHBondContact O-N 3.34Å; K177-F204 HydrophobicContact CB-CZ 4.27Å |
| 178 | L | 88.3 | Confident | 87.8 | Confident | 53 Ų | 53 | 99.9 Ų | 99.9 | 28% | 0.277 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 175.1 | 179.5 | 63.5 | 0 | 0 | 0 | 111.5 | E174 K175 R176 E180 A181 V182 I200 F204 | E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 2.79Å; K175-L178 PolarHBondContact O-N 2.83Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.12Å; L178-E180 PolarHBondContact O-N 3.11Å; L178-A181 PolarHBondContact O-N 3.45Å; L178-V182 HydrophobicContact CD1-CG2 4.39Å; L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.97Å; L178-I200 HydrophobicContact CD1-CG2 4.07Å; L178-F204 HydrophobicContact CB-CD1 4.23Å; L178-F204 HydrophobicContact CB-CE1 3.96Å; L178-F204 HydrophobicContact CB-CZ 4.19Å; L178-F204 HydrophobicContact CD1-CB 4.36Å; L178-F204 HydrophobicContact CD1-CD1 4.27Å; L178-F204 HydrophobicContact CD1-CD2 3.87Å; L178-F204 HydrophobicContact CD1-CE2 4.17Å; L178-F204 HydrophobicContact CD1-CG 3.91Å; L178-F204 HydrophobicContact CD1-CZ 4.5Å |
| 179 | T | 89 | Confident | 86 | Confident | 71 Ų | 71 | 104 Ų | 104 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 179.1 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | K175 R176 K183 | K175-T179 WeakPolarHBondContact O-CG2 3.48Å; K175-T179 PolarHBondContact O-N 2.87Å; K175-T179 PolarHBondContact O-OG1 3.36Å; R176-T179 WeakPolarHBondContact CA-OG1 3.45Å; R176-T179 PolarHBondContact O-N 2.55Å; R176-T179 VanDerWaalsContact O-N 3.12Å; R176-T179 PolarHBondContact O-OG1 3.4Å; T179-K183 WeakPolarHBondContact O-CB 3.36Å; T179-K183 VanDerWaalsContact O-CG 3.24Å; T179-K183 WeakPolarHBondContact O-CG 3.47Å; T179-K183 PolarHBondContact O-N 2.76Å |
| 180 | E | 90.3 | Very high | 84.5 | Confident | 93 Ų | 93 | 101 Ų | 101 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 175.5 | -75.4 | 175.8 | 178.8 | 0 | 0 | 110.8 | R176 K177 L178 K183 S184 | R176-E180 HydrophobicContact CG-CG 4.36Å; R176-E180 WeakPolarHBondContact CG-OE1 3.4Å; R176-E180 IonicContact CZ-OE1 3.42Å; R176-E180 IonicContact NE-OE1 2.75Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.19Å; R176-E180 PolarHBondContact NH2-OE1 3.27Å; R176-E180 WeakPolarHBondContact O-CB 3.33Å; R176-E180 WeakPolarHBondContact O-CG 3.26Å; R176-E180 PolarHBondContact O-N 3.15Å; K177-E180 PolarHBondContact O-N 3.09Å; L178-E180 PolarHBondContact O-N 3.11Å; E180-K183 PolarHBondContact O-N 3.01Å; E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.36Å; E180-S184 PolarHBondContact O-N 3.43Å; E180-S184 PolarHBondContact O-OG 3.06Å |
| 181 | A | 86.9 | Confident | 82.8 | Confident | 24 Ų | 24 | 106.3 Ų | 106.3 | 20% | 0.198 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K177 L178 S184 T185 I200 | K177-A181 VanDerWaalsContact O-CB 3.23Å; K177-A181 WeakPolarHBondContact O-CB 3.46Å; K177-A181 PolarHBondContact O-N 3.34Å; L178-A181 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 3.28Å; A181-S184 PolarHBondContact O-OG 3.31Å; A181-T185 PolarHBondContact O-N 3.37Å; A181-T185 VanDerWaalsContact O-N 3.08Å; A181-T185 PolarHBondContact O-OG1 3.21Å; A181-I200 HydrophobicContact CB-CD1 4.18Å; A181-I200 HydrophobicContact CB-CG2 3.97Å |
| 182 | V | 85.2 | Confident | 81.7 | Confident | 49 Ų | 49 | 104.8 Ų | 104.8 | 30% | 0.297 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 174.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | L178 S184 T185 W186 L197 | L178-V182 HydrophobicContact CD1-CG2 4.39Å; L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.97Å; V182-S184 VanDerWaalsContact C-N 3.27Å; V182-S184 PolarHBondContact O-N 2.98Å; V182-T185 PolarHBondContact O-N 2.82Å; V182-T185 PolarHBondContact O-OG1 3.27Å; V182-W186 PolarHBondContact O-N 2.79Å; V182-L197 HydrophobicContact CG1-CD2 4.24Å; V182-L197 HydrophobicContact CG2-CD2 4.42Å |
| 183 | K | 86.7 | Confident | 80.6 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 61% | 0.609 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 177.8 | -76.9 | 174.5 | -179.7 | -178.6 | 0 | 112.5 | T179 E180 W186 K187 | T179-K183 WeakPolarHBondContact O-CB 3.36Å; T179-K183 VanDerWaalsContact O-CG 3.24Å; T179-K183 WeakPolarHBondContact O-CG 3.47Å; T179-K183 PolarHBondContact O-N 2.76Å; E180-K183 PolarHBondContact O-N 3.01Å; K183-W186 PolarHBondContact O-N 3.43Å; K183-K187 WeakPolarHBondContact O-CG 3.38Å; K183-K187 PolarHBondContact O-N 3.08Å |
| 184 | S | 84.6 | Confident | 79.6 | Confident | 52 Ų | 52 | 104.6 Ų | 104.6 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -33.9 | 179.2 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | E180 A181 V182 K188 | E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.36Å; E180-S184 PolarHBondContact O-N 3.43Å; E180-S184 PolarHBondContact O-OG 3.06Å; A181-S184 PolarHBondContact O-N 3.28Å; A181-S184 PolarHBondContact O-OG 3.31Å; V182-S184 VanDerWaalsContact C-N 3.27Å; V182-S184 PolarHBondContact O-N 2.98Å; S184-K188 WeakPolarHBondContact O-CG 3.29Å; S184-K188 PolarHBondContact O-N 3.3Å |
| 185 | T | 80.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 106.4 Ų | 106.4 | 6% | 0.061 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -74.2 | -33.6 | 173.1 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | A181 V182 K188 K196 L197 I200 | A181-T185 PolarHBondContact O-N 3.37Å; A181-T185 VanDerWaalsContact O-N 3.08Å; A181-T185 PolarHBondContact O-OG1 3.21Å; V182-T185 PolarHBondContact O-N 2.82Å; V182-T185 PolarHBondContact O-OG1 3.27Å; T185-K188 PolarHBondContact O-N 3.23Å; T185-K196 HydrophobicContact CG2-CB 4.38Å; T185-K196 HydrophobicContact CG2-CG 4.48Å; T185-L197 WeakPolarHBondContact OG1-CD2 3.49Å; T185-I200 HydrophobicContact CG2-CD1 3.37Å |
| 186 | W | 76.8 | Confident | 78.4 | Confident | 158 Ų | 158 | 104.8 Ų | 104.8 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.8 | -32.1 | 174.3 | -79.8 | 59.8 | 0 | 0 | 0 | 113.5 | V182 K183 | V182-W186 PolarHBondContact O-N 2.79Å; K183-W186 PolarHBondContact O-N 3.43Å |
| 187 | K | 76.5 | Confident | 77.8 | Confident | 175 Ų | 175 | 99.1 Ų | 99.1 | 76% | 0.761 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77.1 | -23.1 | 176.4 | -74.3 | -176.9 | 178.2 | -171.3 | 0 | 113.9 | K183 T189 | K183-K187 WeakPolarHBondContact O-CG 3.38Å; K183-K187 PolarHBondContact O-N 3.08Å; K187-T189 PolarHBondContact O-N 3.02Å |
| 188 | K | 69 | Low | 77.3 | Confident | 139 Ų | 139 | 99 Ų | 99 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -85.6 | 98.3 | 179.4 | -72.6 | 175.7 | -177.8 | -178.5 | 0 | 108.9 | S184 T185 G190 | S184-K188 WeakPolarHBondContact O-CG 3.29Å; S184-K188 PolarHBondContact O-N 3.3Å; T185-K188 PolarHBondContact O-N 3.23Å; K188-G190 PolarHBondContact O-N 3.21Å |
| 189 | T | 56.2 | Low | 77 | Confident | 153 Ų | 153 | 102.4 Ų | 102.4 | 94% | 0.939 | 51% | 0.51 | S | S | * | . | trans | -66.9 | 110.4 | 172.2 | -28.9 | 0 | 0 | 0 | 0 | 108.7 | K187 | K187-T189 PolarHBondContact O-N 3.02Š| ||
| 190 | G | 63.6 | Low | 76.6 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | trans | -172.3 | 154.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K188 N192 | K188-G190 PolarHBondContact O-N 3.21Å; G190-N192 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact O-N 3.11Å | ||
| 191 | I | 59.7 | Low | 76.2 | Confident | 173 Ų | 173 | 100.9 Ų | 100.9 | 89% | 0.887 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -7 | -166.1 | -67.5 | 162.6 | 0 | 0 | 0 | 114.4 | ||
| 192 | N | 69.1 | Low | 76 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 40.2 | -177.7 | -60.1 | 14.4 | 0 | 0 | 0 | 112.9 | G190 E195 K196 | G190-N192 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact O-N 3.11Å; N192-E195 PolarHBondContact ND2-OE2 2.65Å; N192-K196 PolarHBondContact O-N 2.8Å |
| 193 | R | 70.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 108.3 Ų | 108.3 | 38% | 0.381 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | -174.6 | 178.4 | 177.2 | 170.1 | 178.8 | -6.1 | 113.2 | L197 | R193-L197 HydrophobicContact CG-CD1 4.01Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L197 VanDerWaalsContact O-N 3.13Å |
| 194 | E | 73.9 | Confident | 75.4 | Confident | 156 Ų | 156 | 103.8 Ų | 103.8 | 73% | 0.729 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -48.7 | -175.7 | -68.8 | 177.1 | 174.7 | 0 | 0 | 110.8 | K196 L197 E198 | E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 2.87Å; E194-L197 WeakPolarHBondContact O-CB 3.48Å; E194-L197 PolarHBondContact O-N 3.42Å; E194-L197 VanDerWaalsContact O-N 3.1Å; E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 2.96Å |
| 195 | E | 78.6 | Confident | 75.1 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -55.8 | -41 | 176.6 | -61.3 | 178.7 | 167.4 | 0 | 0 | 112.5 | N192 E198 Q199 | N192-E195 PolarHBondContact ND2-OE2 2.65Å; E195-E198 PolarHBondContact O-N 3.18Å; E195-Q199 WeakPolarHBondContact O-CB 3.46Å; E195-Q199 VanDerWaalsContact O-CG 3.26Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 2.99Å |
| 196 | K | 76.6 | Confident | 74.6 | Confident | 108 Ų | 108 | 113.8 Ų | 113.8 | 47% | 0.47 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.6 | -35.5 | -179.9 | -132.3 | 167.4 | -169 | 157.6 | 0 | 112.5 | T185 N192 E194 I200 | T185-K196 HydrophobicContact CG2-CB 4.38Å; T185-K196 HydrophobicContact CG2-CG 4.48Å; N192-K196 PolarHBondContact O-N 2.8Å; E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 2.87Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.19Å |
| 197 | L | 79.4 | Confident | 74.2 | Confident | 43 Ų | 43 | 112.5 Ų | 112.5 | 23% | 0.225 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -67.8 | -40.6 | 173.4 | -78 | 166.8 | 0 | 0 | 0 | 111 | V182 T185 R193 E194 I200 L201 | V182-L197 HydrophobicContact CG1-CD2 4.24Å; V182-L197 HydrophobicContact CG2-CD2 4.42Å; T185-L197 WeakPolarHBondContact OG1-CD2 3.49Å; R193-L197 HydrophobicContact CG-CD1 4.01Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L197 VanDerWaalsContact O-N 3.13Å; E194-L197 WeakPolarHBondContact O-CB 3.48Å; E194-L197 PolarHBondContact O-N 3.42Å; E194-L197 VanDerWaalsContact O-N 3.1Å; L197-I200 PolarHBondContact O-N 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 2.74Å |
| 198 | E | 80.2 | Confident | 73.6 | Confident | 123 Ų | 123 | 110.9 Ų | 110.9 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 175.6 | -73.3 | -174.4 | 176.4 | 0 | 0 | 112.4 | E194 E195 L201 N202 | E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 2.96Å; E195-E198 PolarHBondContact O-N 3.18Å; E198-L201 PolarHBondContact O-N 2.94Å; E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 VanDerWaalsContact O-CG 3.29Å; E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact O-ND2 2.96Å |
| 199 | Q | 83.1 | Confident | 73.2 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.8 | -48.6 | 174.2 | -76.4 | 170.8 | 11.8 | 0 | 0 | 111.8 | E195 L201 N202 E203 | E195-Q199 WeakPolarHBondContact O-CB 3.46Å; E195-Q199 VanDerWaalsContact O-CG 3.26Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 2.99Å; Q199-L201 PolarHBondContact O-N 3.39Å; Q199-N202 PolarHBondContact O-N 3.05Å; Q199-E203 WeakPolarHBondContact O-CB 3.31Å; Q199-E203 PolarHBondContact O-N 3.45Å |
| 200 | I | 80.8 | Confident | 73.1 | Confident | 24 Ų | 24 | 107.2 Ų | 107.2 | 12% | 0.123 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 177.1 | -67 | 163.6 | 0 | 0 | 0 | 109.9 | L178 A181 T185 K196 L197 N202 E203 F204 | L178-I200 HydrophobicContact CD1-CG2 4.07Å; A181-I200 HydrophobicContact CB-CD1 4.18Å; A181-I200 HydrophobicContact CB-CG2 3.97Å; T185-I200 HydrophobicContact CG2-CD1 3.37Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.19Å; L197-I200 PolarHBondContact O-N 3.29Å; I200-N202 VanDerWaalsContact C-N 3.31Å; I200-N202 PolarHBondContact O-N 2.9Å; I200-E203 PolarHBondContact O-N 3.27Å; I200-F204 HydrophobicContact CG2-CD2 3.99Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.39Å; I200-F204 PolarHBondContact O-N 3.06Å; I200-F204 VanDerWaalsContact O-N 3.13Å |
| 201 | L | 82.6 | Confident | 72.8 | Confident | 108 Ų | 108 | 113 Ų | 113 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -38.4 | -179.5 | -170.6 | 64 | 0 | 0 | 0 | 111.8 | L197 E198 Q199 K205 | L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 2.74Å; E198-L201 PolarHBondContact O-N 2.94Å; Q199-L201 PolarHBondContact O-N 3.39Å; L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 3.21Å |
| 202 | N | 82.5 | Confident | 72.2 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 177.4 | -79.7 | -26.3 | 0 | 0 | 0 | 112.8 | E198 Q199 I200 K205 K206 | E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 VanDerWaalsContact O-CG 3.29Å; E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact O-ND2 2.96Å; Q199-N202 PolarHBondContact O-N 3.05Å; I200-N202 VanDerWaalsContact C-N 3.31Å; I200-N202 PolarHBondContact O-N 2.9Å; N202-K205 PolarHBondContact O-N 2.93Å; N202-K206 WeakPolarHBondContact O-CB 3.44Å; N202-K206 PolarHBondContact O-N 3.37Å |
| 203 | E | 81.1 | Confident | 71.3 | Confident | 134 Ų | 134 | 111.9 Ų | 111.9 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | 175.1 | -170.4 | 174 | -165.2 | 0 | 0 | 110.7 | Q199 I200 K205 K206 | Q199-E203 WeakPolarHBondContact O-CB 3.31Å; Q199-E203 PolarHBondContact O-N 3.45Å; I200-E203 PolarHBondContact O-N 3.27Å; E203-K205 VanDerWaalsContact C-N 3.35Å; E203-K205 PolarHBondContact O-N 3.25Å; E203-K206 PolarHBondContact O-N 2.87Å |
| 204 | F | 78.3 | Confident | 70.1 | Confident | 46 Ų | 46 | 115.5 Ų | 115.5 | 20% | 0.202 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -70 | -29.4 | 177.4 | -78 | -97.5 | 0 | 0 | 0 | 113 | K177 L178 I200 K206 D207 Y208 | K177-F204 HydrophobicContact CB-CZ 4.27Å; L178-F204 HydrophobicContact CB-CD1 4.23Å; L178-F204 HydrophobicContact CB-CE1 3.96Å; L178-F204 HydrophobicContact CB-CZ 4.19Å; L178-F204 HydrophobicContact CD1-CB 4.36Å; L178-F204 HydrophobicContact CD1-CD1 4.27Å; L178-F204 HydrophobicContact CD1-CD2 3.87Å; L178-F204 HydrophobicContact CD1-CE2 4.17Å; L178-F204 HydrophobicContact CD1-CG 3.91Å; L178-F204 HydrophobicContact CD1-CZ 4.5Å; I200-F204 HydrophobicContact CG2-CD2 3.99Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.39Å; I200-F204 PolarHBondContact O-N 3.06Å; I200-F204 VanDerWaalsContact O-N 3.13Å; F204-K206 VanDerWaalsContact C-N 3.35Å; F204-D207 PolarHBondContact O-N 3.43Å; F204-Y208 WeakPolarHBondContact O-CD2 3.21Å |
| 205 | K | 77.3 | Confident | 68.5 | Low | 110 Ų | 110 | 112.9 Ų | 112.9 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.4 | -35.8 | 175.6 | -176 | -179.5 | 176.2 | -168.8 | 0 | 111.8 | L201 N202 E203 D207 Y208 E209 | L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 3.21Å; N202-K205 PolarHBondContact O-N 2.93Å; E203-K205 VanDerWaalsContact C-N 3.35Å; E203-K205 PolarHBondContact O-N 3.25Å; K205-D207 PolarHBondContact O-N 3.42Å; K205-Y208 PolarHBondContact O-N 2.81Å; K205-Y208 VanDerWaalsContact O-N 3.16Å; K205-E209 WeakPolarHBondContact CE-OE1 3.32Å; K205-E209 HydrophobicContact CG-CG 4.49Å; K205-E209 PolarHBondContact O-N 3.25Å |
| 206 | K | 70.6 | Confident | 66.7 | Low | 162 Ų | 162 | 114.9 Ų | 114.9 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -27.4 | 178.9 | -162.6 | 175.1 | -178 | 179.3 | 0 | 112.9 | N202 E203 F204 | N202-K206 WeakPolarHBondContact O-CB 3.44Å; N202-K206 PolarHBondContact O-N 3.37Å; E203-K206 PolarHBondContact O-N 2.87Å; F204-K206 VanDerWaalsContact C-N 3.35Å |
| 207 | D | 67.8 | Low | 65.2 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 70% | 0.701 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -81.3 | -23.6 | 176.7 | -67.9 | -21.4 | 0 | 0 | 0 | 113.5 | F204 K205 | F204-D207 PolarHBondContact O-N 3.43Å; K205-D207 PolarHBondContact O-N 3.42Å |
| 208 | Y | 63.9 | Low | 63.2 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 55% | 0.549 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -100.5 | -15.5 | -179.4 | -83.2 | -95.7 | 0 | 0 | 0 | 113.8 | E174 F204 K205 P210 | E174-Y208 PolarHBondContact OE2-OH 2.82Å; F204-Y208 WeakPolarHBondContact O-CD2 3.21Å; K205-Y208 PolarHBondContact O-N 2.81Å; K205-Y208 VanDerWaalsContact O-N 3.16Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å |
| 209 | E | 60 | Low | 61.1 | Low | 111 Ų | 111 | 121.4 Ų | 121.4 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -69.7 | 123 | 168 | -86.9 | -171.8 | 177 | 0 | 0 | 109.5 | K205 K211 | K205-E209 WeakPolarHBondContact CE-OE1 3.32Å; K205-E209 HydrophobicContact CG-CG 4.49Å; K205-E209 PolarHBondContact O-N 3.25Å; E209-K211 PolarHBondContact O-N 3.43Å |
| 210 | P | 55.8 | Low | 59 | Low | 105 Ų | 105 | 121.1 Ų | 121.1 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -61.6 | 112.8 | 172.2 | 26.1 | -30.6 | 0 | 0 | 0 | 106.3 | Y208 N212 | Y208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-N212 VanDerWaalsContact C-N 3.29Å; P210-N212 PolarHBondContact O-N 3Å | ||
| 211 | K | 55.8 | Low | 57.1 | Low | 172 Ų | 172 | 125.1 Ų | 125.1 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | trans | -49.5 | 104.3 | 163.9 | -70.5 | -174.9 | -179.3 | 179.2 | 0 | 106.1 | E209 D213 | E209-K211 PolarHBondContact O-N 3.43Å; K211-D213 PolarHBondContact O-N 3.35Å | ||
| 212 | N | 48.9 | Very low | 55.5 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 61% | 0.61 | 67% | 0.668 | S | S | * | * | trans | -71.2 | 69.3 | 167.7 | -92.1 | -43.7 | 0 | 0 | 0 | 105.6 | P210 K214 | P210-N212 VanDerWaalsContact C-N 3.29Å; P210-N212 PolarHBondContact O-N 3Å; N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-NZ 2.73Å | ||
| 213 | D | 48.6 | Very low | 54 | Low | 132 Ų | 132 | 126.1 Ų | 126.1 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -72.7 | 65.6 | 157.5 | -67.9 | -24.8 | 0 | 0 | 0 | 106.2 | K211 | K211-D213 PolarHBondContact O-N 3.35Š| ||
| 214 | K | 45.5 | Very low | 52.4 | Low | 178 Ų | 178 | 126.5 Ų | 126.5 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | -112.7 | 49.4 | 168.4 | -72.4 | -177.9 | -176.4 | 156 | 0 | 107.8 | N212 | N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-NZ 2.73Å | ||
| 215 | S | 41 | Very low | 50.8 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -91.7 | 119.5 | 156.3 | 47.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 216 | N | 40.6 | Very low | 49.3 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 65.3 | 68.8 | 164.2 | -78.6 | -15.9 | 0 | 0 | 0 | 120.5 | ||
| 217 | V | 45.2 | Very low | 48.6 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -137.9 | 65 | 140.6 | -166.7 | 0 | 0 | 0 | 0 | 110 | G219 | V217-G219 PolarHBondContact O-N 2.87Š| ||
| 218 | K | 37.8 | Very low | 48.4 | Very low | 219 Ų | 219 | 131.8 Ų | 131.8 | 95% | 0.952 | 71% | 0.713 | S | S | * | * | trans | -85.9 | 88.3 | 159 | -83.1 | -179.7 | 177.5 | 173 | 0 | 107.3 | ||||
| 219 | G | 36.6 | Very low | 48.5 | Very low | 51 Ų | 51 | 129.4 Ų | 129.4 | 53% | 0.526 | 71% | 0.713 | S | S | . | * | S | Bend | trans | 168 | 107.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V217 | V217-G219 PolarHBondContact O-N 2.87Š|
| 220 | S | 38.4 | Very low | 49.1 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | 73.6 | 92.1 | 166.2 | 86.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 221 | S | 40.6 | Very low | 49.8 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -133.8 | 29.2 | 169.7 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | S223 | S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.73Å | ||
| 222 | S | 48.6 | Very low | 50.2 | Low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -78.4 | -7.9 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 223 | S | 50.8 | Low | 50.9 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -121.2 | -3.8 | -168.8 | -155.9 | 0 | 0 | 0 | 0 | 116.6 | S221 | S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.73Å |
| 224 | L | 48 | Very low | 51.9 | Low | 142 Ų | 142 | 123.6 Ų | 123.6 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -112.6 | 57.9 | -176 | -73.4 | 160.3 | 0 | 0 | 0 | 112.6 | S226 | L224-S226 PolarHBondContact O-N 2.99Š| ||
| 225 | K | 45.9 | Very low | 52.8 | Low | 196 Ų | 196 | 118.8 Ų | 118.8 | 85% | 0.852 | 67% | 0.673 | S | S | * | * | trans | -86 | 74.6 | 173.2 | -69.8 | 177.8 | -176.8 | 170.3 | 0 | 110.7 | ||||
| 226 | S | 45 | Very low | 53.8 | Low | 66 Ų | 66 | 121 Ų | 121 | 46% | 0.462 | 67% | 0.666 | S | S | . | * | trans | -134.3 | 43.8 | 170.3 | 90.2 | 0 | 0 | 0 | 0 | 113.6 | L224 | L224-S226 PolarHBondContact O-N 2.99Š| ||
| 227 | F | 55.6 | Low | 54.8 | Low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -139.6 | 125.5 | 160.2 | -67.1 | -76.3 | 0 | 0 | 0 | 108.5 | T229 | F227-T229 PolarHBondContact O-N 3.43Š|
| 228 | H | 64.7 | Low | 56 | Low | 114 Ų | 114 | 124.9 Ų | 124.9 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | trans | -59 | 111.4 | 179.7 | -68.6 | -54.8 | 0 | 0 | 0 | 109.6 | D232 Y233 R236 | H228-D232 WeakPolarHBondContact CA-OD2 3.41Å; H228-D232 HydrophobicContact CB-CB 4.21Å; H228-D232 IonicContact ND1-OD2 3.75Å; H228-Y233 HydrophobicContact CB-CD2 4.26Å; H228-Y233 HydrophobicContact CB-CE2 3.92Å; H228-R236 PolarHBondContact CD2-NH2 3.38Å; H228-R236 PolarHBondContact CE1-NH2 3.01Å; H228-R236 PolarHBondContact ND1-NH2 3.37Å; H228-R236 PolarHBondContact NE2-NH2 2.9Å; H228-R236 VanDerWaalsContact NE2-NH2 3.12Å | ||
| 229 | T | 65.3 | Low | 57.7 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | trans | -69.3 | 158.7 | 179.8 | -17.7 | 0 | 0 | 0 | 0 | 109.2 | F227 K231 D232 Y233 | F227-T229 PolarHBondContact O-N 3.43Å; T229-K231 PolarHBondContact O-N 3.24Å; T229-D232 PolarHBondContact N-OD2 3Å; T229-D232 WeakPolarHBondContact O-CA 3.33Å; T229-D232 WeakPolarHBondContact O-CB 3.17Å; T229-D232 PolarHBondContact O-N 3.17Å; T229-Y233 PolarHBondContact O-N 3.5Å | ||
| 230 | A | 72 | Confident | 59.7 | Low | 84 Ų | 84 | 122.3 Ų | 122.3 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52.5 | -30.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y233 A234 | A230-Y233 PolarHBondContact O-N 3.39Å; A230-A234 PolarHBondContact O-N 3.46Å |
| 231 | K | 70.4 | Confident | 61.8 | Low | 159 Ų | 159 | 123.1 Ų | 123.1 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.4 | -33.5 | 172.6 | -158.6 | 169.5 | -172.7 | 169.7 | 0 | 113.6 | T229 A234 N235 | T229-K231 PolarHBondContact O-N 3.24Å; K231-A234 PolarHBondContact O-N 2.98Å; K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 3.28Å; K231-N235 PolarHBondContact O-ND2 3.28Å |
| 232 | D | 64.8 | Low | 63.8 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 34% | 0.342 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.9 | -35.7 | 174 | -70.3 | -21.7 | 0 | 0 | 0 | 112 | H228 T229 R236 | H228-D232 WeakPolarHBondContact CA-OD2 3.41Å; H228-D232 HydrophobicContact CB-CB 4.21Å; H228-D232 IonicContact ND1-OD2 3.75Å; T229-D232 PolarHBondContact N-OD2 3Å; T229-D232 WeakPolarHBondContact O-CA 3.33Å; T229-D232 WeakPolarHBondContact O-CB 3.17Å; T229-D232 PolarHBondContact O-N 3.17Å; D232-R236 PolarHBondContact O-N 3.46Å; D232-R236 VanDerWaalsContact O-N 3.15Å |
| 233 | Y | 64.4 | Low | 65.3 | Low | 149 Ų | 149 | 128.6 Ų | 128.6 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.1 | -42.1 | 171.2 | -85.2 | -82.9 | 0 | 0 | 0 | 111.6 | H228 T229 A230 R236 R237 | H228-Y233 HydrophobicContact CB-CD2 4.26Å; H228-Y233 HydrophobicContact CB-CE2 3.92Å; T229-Y233 PolarHBondContact O-N 3.5Å; A230-Y233 PolarHBondContact O-N 3.39Å; Y233-R236 PolarHBondContact O-N 3.48Å; Y233-R237 PolarHBondContact O-N 3.27Å |
| 234 | A | 68 | Low | 66.9 | Low | 56 Ų | 56 | 125.6 Ų | 125.6 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.2 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A230 K231 R236 R237 | A230-A234 PolarHBondContact O-N 3.46Å; K231-A234 PolarHBondContact O-N 2.98Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 2.95Å; A234-R237 PolarHBondContact O-N 3.48Å |
| 235 | N | 64.8 | Low | 68.6 | Low | 77 Ų | 77 | 125.5 Ų | 125.5 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.7 | -25.4 | 176 | -77.2 | -37.5 | 0 | 0 | 0 | 113.2 | K231 K238 | K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 3.28Å; K231-N235 PolarHBondContact O-ND2 3.28Å; N235-K238 PolarHBondContact O-N 3.34Å; N235-K238 PolarHBondContact OD1-NZ 2.95Å |
| 236 | R | 63.1 | Low | 70.5 | Confident | 147 Ų | 147 | 122.5 Ų | 122.5 | 56% | 0.555 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.1 | -23.8 | 171.2 | -86.1 | -172.5 | -98.3 | -145.5 | -5.3 | 114 | H228 D232 Y233 A234 K238 | H228-R236 PolarHBondContact CD2-NH2 3.38Å; H228-R236 PolarHBondContact CE1-NH2 3.01Å; H228-R236 PolarHBondContact ND1-NH2 3.37Å; H228-R236 PolarHBondContact NE2-NH2 2.9Å; H228-R236 VanDerWaalsContact NE2-NH2 3.12Å; D232-R236 PolarHBondContact O-N 3.46Å; D232-R236 VanDerWaalsContact O-N 3.15Å; Y233-R236 PolarHBondContact O-N 3.48Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 2.95Å; R236-K238 VanDerWaalsContact C-N 3.3Å |
| 237 | R | 61.8 | Low | 72.3 | Confident | 226 Ų | 226 | 123.8 Ų | 123.8 | 85% | 0.853 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -11.9 | 172.3 | -74.3 | -172.4 | 174.7 | 179.6 | -1.1 | 113.5 | Y233 A234 I239 | Y233-R237 PolarHBondContact O-N 3.27Å; A234-R237 PolarHBondContact O-N 3.48Å; R237-I239 PolarHBondContact O-N 2.74Å |
| 238 | K | 69.8 | Low | 73.7 | Confident | 147 Ų | 147 | 120.2 Ų | 120.2 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -64.9 | 122.8 | 171.8 | -72.8 | 178.7 | 177 | 165.5 | 0 | 108.8 | N235 R236 N240 | N235-K238 PolarHBondContact O-N 3.34Å; N235-K238 PolarHBondContact OD1-NZ 2.95Å; R236-K238 VanDerWaalsContact C-N 3.3Å; K238-N240 PolarHBondContact O-N 2.82Å |
| 239 | I | 73 | Confident | 74.6 | Confident | 122 Ų | 122 | 116.9 Ų | 116.9 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | trans | -44.5 | 113.9 | 176.4 | -69.4 | 169.3 | 0 | 0 | 0 | 109.1 | R237 Q241 V244 | R237-I239 PolarHBondContact O-N 2.74Å; I239-Q241 PolarHBondContact O-N 2.91Å; I239-V244 HydrophobicContact CG2-CB 4.42Å; I239-V244 HydrophobicContact CG2-CG2 3.11Å | ||
| 240 | N | 78.3 | Confident | 75.4 | Confident | 94 Ų | 94 | 118.7 Ų | 118.7 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | trans | -67.9 | 99.5 | 176.6 | 180 | -9.8 | 0 | 0 | 0 | 107.9 | K238 K242 R243 V244 | K238-N240 PolarHBondContact O-N 2.82Å; N240-K242 PolarHBondContact O-N 2.81Å; N240-K242 VanDerWaalsContact O-N 3.11Å; N240-K242 WeakPolarHBondContact OD1-CB 3.03Å; N240-K242 PolarHBondContact OD1-N 3.12Å; N240-K242 VanDerWaalsContact OD1-N 3.13Å; N240-R243 HydrophobicContact CB-CB 3.95Å; N240-R243 CarbonylContact O-C 3.59Å; N240-R243 WeakPolarHBondContact O-CA 3.49Å; N240-R243 WeakPolarHBondContact O-CB 3.3Å; N240-R243 PolarHBondContact O-N 3.35Å; N240-R243 PolarHBondContact OD1-N 3.21Å; N240-V244 PolarHBondContact O-N 3.01Å | ||
| 241 | Q | 82.5 | Confident | 75.9 | Confident | 136 Ų | 136 | 115.6 Ų | 115.6 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.9 | -31.5 | -177.7 | -67.5 | -67 | -6 | 0 | 0 | 112.6 | I239 V244 Y245 | I239-Q241 PolarHBondContact O-N 2.91Å; Q241-V244 PolarHBondContact O-N 2.97Å; Q241-Y245 WeakPolarHBondContact O-CB 3.44Å; Q241-Y245 PolarHBondContact O-N 3.13Å |
| 242 | K | 82.3 | Confident | 76.4 | Confident | 166 Ų | 166 | 117.2 Ų | 117.2 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -37.3 | 173.1 | -64.7 | -175 | 177.8 | -178.2 | 0 | 112.1 | N240 K246 | N240-K242 PolarHBondContact O-N 2.81Å; N240-K242 VanDerWaalsContact O-N 3.11Å; N240-K242 WeakPolarHBondContact OD1-CB 3.03Å; N240-K242 PolarHBondContact OD1-N 3.12Å; N240-K242 VanDerWaalsContact OD1-N 3.13Å; K242-K246 WeakPolarHBondContact O-CG 3.49Å; K242-K246 PolarHBondContact O-N 3.22Å; K242-K246 VanDerWaalsContact O-N 3.1Å |
| 243 | R | 81.8 | Confident | 77.1 | Confident | 171 Ų | 171 | 117.4 Ų | 117.4 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.5 | -41.2 | 175.7 | -174.8 | -177.4 | -96.6 | -143.3 | -3.6 | 110.8 | N240 K246 N247 | N240-R243 HydrophobicContact CB-CB 3.95Å; N240-R243 CarbonylContact O-C 3.59Å; N240-R243 WeakPolarHBondContact O-CA 3.49Å; N240-R243 WeakPolarHBondContact O-CB 3.3Å; N240-R243 PolarHBondContact O-N 3.35Å; N240-R243 PolarHBondContact OD1-N 3.21Å; R243-K246 PolarHBondContact O-N 2.95Å; R243-N247 WeakPolarHBondContact O-CB 3.4Å; R243-N247 PolarHBondContact O-N 3.46Å |
| 244 | V | 84.6 | Confident | 77.5 | Confident | 48 Ų | 48 | 113.6 Ų | 113.6 | 29% | 0.291 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.2 | -48.9 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | I239 N240 Q241 K246 N247 N248 | I239-V244 HydrophobicContact CG2-CB 4.42Å; I239-V244 HydrophobicContact CG2-CG2 3.11Å; N240-V244 PolarHBondContact O-N 3.01Å; Q241-V244 PolarHBondContact O-N 2.97Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 2.8Å; V244-N247 PolarHBondContact O-N 3.21Å; V244-N248 VanDerWaalsContact O-CG 3.27Å; V244-N248 PolarHBondContact O-N 3.48Å; V244-N248 PolarHBondContact O-OD1 3.04Å |
| 245 | Y | 83.2 | Confident | 77.7 | Confident | 141 Ų | 141 | 120.1 Ų | 120.1 | 55% | 0.553 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.1 | -45 | 176 | 177.5 | -96 | 0 | 0 | 0 | 112.1 | Q241 N248 K249 | Q241-Y245 WeakPolarHBondContact O-CB 3.44Å; Q241-Y245 PolarHBondContact O-N 3.13Å; Y245-N248 PolarHBondContact O-N 3.38Å; Y245-K249 HydrophobicContact CE1-CD 3.97Å; Y245-K249 WeakPolarHBondContact O-CB 3.16Å; Y245-K249 PolarHBondContact O-N 3.23Å |
| 246 | K | 84.4 | Confident | 78 | Confident | 133 Ų | 133 | 118.6 Ų | 118.6 | 58% | 0.578 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -38.5 | 176.6 | -76.2 | -175.4 | 178.1 | -167 | 0 | 112.8 | K242 R243 V244 K249 Y250 G251 | K242-K246 WeakPolarHBondContact O-CG 3.49Å; K242-K246 PolarHBondContact O-N 3.22Å; K242-K246 VanDerWaalsContact O-N 3.1Å; R243-K246 PolarHBondContact O-N 2.95Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 2.8Å; K246-K249 PolarHBondContact O-N 2.93Å; K246-Y250 WeakPolarHBondContact O-CA 3.39Å; K246-Y250 WeakPolarHBondContact O-CB 3.45Å; K246-Y250 PolarHBondContact O-N 3.35Å; K246-G251 PolarHBondContact O-N 2.95Å |
| 247 | N | 84.7 | Confident | 78.4 | Confident | 92 Ų | 92 | 120.7 Ų | 120.7 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.7 | -40.8 | 175.8 | -79 | 6.9 | 0 | 0 | 0 | 110.9 | R243 V244 G251 | R243-N247 WeakPolarHBondContact O-CB 3.4Å; R243-N247 PolarHBondContact O-N 3.46Å; V244-N247 PolarHBondContact O-N 3.21Å; N247-G251 WeakPolarHBondContact O-CA 3.35Å; N247-G251 PolarHBondContact O-N 3.2Å |
| 248 | N | 83.4 | Confident | 79 | Confident | 108 Ų | 108 | 120.6 Ų | 120.6 | 58% | 0.578 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -39.5 | 176.7 | -66.1 | -2.4 | 0 | 0 | 0 | 112 | V244 Y245 | V244-N248 VanDerWaalsContact O-CG 3.27Å; V244-N248 PolarHBondContact O-N 3.48Å; V244-N248 PolarHBondContact O-OD1 3.04Å; Y245-N248 PolarHBondContact O-N 3.38Å |
| 249 | K | 83.2 | Confident | 79.2 | Confident | 45 Ų | 45 | 118.8 Ų | 118.8 | 20% | 0.196 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -78.4 | -39.1 | -179 | -168.6 | 167.8 | -176.9 | 173.4 | 0 | 113.4 | Y245 K246 Q259 | Y245-K249 HydrophobicContact CE1-CD 3.97Å; Y245-K249 WeakPolarHBondContact O-CB 3.16Å; Y245-K249 PolarHBondContact O-N 3.23Å; K246-K249 PolarHBondContact O-N 2.93Å; K249-Q259 WeakPolarHBondContact CE-O 3.29Å |
| 250 | Y | 83.5 | Confident | 79.3 | Confident | 128 Ų | 128 | 119.2 Ų | 119.2 | 50% | 0.502 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -125.1 | -26 | -170.6 | -54 | -68.3 | 0 | 0 | 0 | 114.6 | K246 K256 | K246-Y250 WeakPolarHBondContact O-CA 3.39Å; K246-Y250 WeakPolarHBondContact O-CB 3.45Å; K246-Y250 PolarHBondContact O-N 3.35Å; Y250-K256 PolarHBondContact O-NZ 3.34Å |
| 251 | G | 81.9 | Confident | 79.3 | Confident | 19 Ų | 19 | 118 Ų | 118 | 20% | 0.196 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -75.8 | 140.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | K246 N247 K256 | K246-G251 PolarHBondContact O-N 2.95Å; N247-G251 WeakPolarHBondContact O-CA 3.35Å; N247-G251 PolarHBondContact O-N 3.2Å; G251-K256 WeakPolarHBondContact O-CE 3.39Å; G251-K256 PolarHBondContact O-NZ 3.1Å |
| 252 | H | 81.1 | Confident | 79 | Confident | 192 Ų | 192 | 118.2 Ų | 118.2 | 89% | 0.889 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -64.7 | 138.7 | -170.2 | -59.2 | -91 | 0 | 0 | 0 | 113.4 | ||
| 253 | G | 79.7 | Confident | 78.5 | Confident | 69 Ų | 69 | 114.3 Ų | 114.3 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 106.9 | 129.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 254 | G | 73.5 | Confident | 78 | Confident | 69 Ų | 69 | 110.9 Ų | 110.9 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 92.8 | 155.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K256 | G254-K256 PolarHBondContact O-N 3Š|
| 255 | Q | 72.1 | Confident | 77.1 | Confident | 193 Ų | 193 | 115.9 Ų | 115.9 | 90% | 0.902 | 59% | 0.591 | S | S | * | * | trans | -64.8 | 116 | 176.1 | -79.9 | -171.3 | -12.7 | 0 | 0 | 110.7 | ||||
| 256 | K | 71.2 | Confident | 76.3 | Confident | 44 Ų | 44 | 111.1 Ų | 111.1 | 19% | 0.191 | 58% | 0.578 | C | S | . | * | trans | -108.4 | 10.9 | 176.5 | -59.9 | -179.2 | -170 | 164.7 | 0 | 114 | Y250 G251 G254 R258 Q259 | Y250-K256 PolarHBondContact O-NZ 3.34Å; G251-K256 WeakPolarHBondContact O-CE 3.39Å; G251-K256 PolarHBondContact O-NZ 3.1Å; G254-K256 PolarHBondContact O-N 3Å; K256-R258 PolarHBondContact O-N 3.14Å; K256-Q259 PolarHBondContact O-N 2.8Å; K256-Q259 VanDerWaalsContact O-N 3.14Å | ||
| 257 | K | 71.5 | Confident | 75.1 | Confident | 191 Ų | 191 | 110 Ų | 110 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | 127.1 | -176.8 | -81.5 | -174.2 | 174.7 | -179.5 | 0 | 108.8 | Q259 | K257-Q259 VanDerWaalsContact C-N 3.28Å; K257-Q259 PolarHBondContact O-N 3.47Å |
| 258 | R | 72.8 | Confident | 73.8 | Confident | 225 Ų | 225 | 111.4 Ų | 111.4 | 85% | 0.849 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.3 | -1.4 | -179.9 | -50.2 | 179.9 | 178.8 | 178.3 | -0.9 | 117.8 | K256 K260 S261 | K256-R258 PolarHBondContact O-N 3.14Å; R258-K260 VanDerWaalsContact C-N 3.27Å; R258-K260 PolarHBondContact O-N 3.27Å; R258-S261 WeakPolarHBondContact CA-OG 3.49Å; R258-S261 PolarHBondContact O-OG 3.16Å |
| 259 | Q | 74.2 | Confident | 72.4 | Confident | 108 Ų | 108 | 110.3 Ų | 110.3 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -21.8 | 174.7 | -72 | -95.4 | -19.2 | 0 | 0 | 113.1 | K249 K256 K257 | K249-Q259 WeakPolarHBondContact CE-O 3.29Å; K256-Q259 PolarHBondContact O-N 2.8Å; K256-Q259 VanDerWaalsContact O-N 3.14Å; K257-Q259 VanDerWaalsContact C-N 3.28Å; K257-Q259 PolarHBondContact O-N 3.47Å |
| 260 | K | 76 | Confident | 70.8 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -7.9 | 179.6 | -62.4 | -176.8 | -179.6 | -177.1 | 0 | 113.8 | R258 | R258-K260 VanDerWaalsContact C-N 3.27Å; R258-K260 PolarHBondContact O-N 3.27Å |
| 261 | S | 77.8 | Confident | 69.3 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -82.4 | 147.2 | 175.4 | 42.7 | 0 | 0 | 0 | 0 | 111 | R258 T263 | R258-S261 WeakPolarHBondContact CA-OG 3.49Å; R258-S261 PolarHBondContact O-OG 3.16Å; S261-T263 PolarHBondContact O-N 3.39Å |
| 262 | N | 75.3 | Confident | 67.9 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.3 | 173.8 | -65.8 | -23.7 | 0 | 0 | 0 | 109.3 | S266 | N262-S266 WeakPolarHBondContact CA-OG 3.12Å; N262-S266 VanDerWaalsContact CB-OG 3.31Å; N262-S266 WeakPolarHBondContact CB-OG 3.43Å |
| 263 | T | 72.5 | Confident | 66.7 | Low | 83 Ų | 83 | 122 Ų | 122 | 51% | 0.509 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -85.7 | 159.4 | 166.3 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | S261 E265 S266 | S261-T263 PolarHBondContact O-N 3.39Å; T263-E265 PolarHBondContact O-N 2.9Å; T263-S266 PolarHBondContact N-OG 3.37Å; T263-S266 WeakPolarHBondContact O-CA 3.17Å; T263-S266 WeakPolarHBondContact O-CB 3.3Å; T263-S266 PolarHBondContact O-N 3.15Å; T263-S266 PolarHBondContact O-OG 3.29Å |
| 264 | S | 71.5 | Confident | 65.6 | Low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.8 | -30.2 | 175.5 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | V267 | S264-V267 PolarHBondContact O-N 2.8Å |
| 265 | E | 66.2 | Low | 64.6 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.5 | -38.1 | 172.7 | -63.1 | -158.6 | 151.1 | 0 | 0 | 113 | T263 V267 N268 I269 | T263-E265 PolarHBondContact O-N 2.9Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.36Å; E265-N268 PolarHBondContact O-N 3.48Å; E265-I269 WeakPolarHBondContact O-CG1 3.5Å |
| 266 | S | 65.3 | Low | 64 | Low | 41 Ų | 41 | 120.9 Ų | 120.9 | 29% | 0.287 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.9 | -23 | -178.7 | 68.7 | 0 | 0 | 0 | 0 | 113.8 | N262 T263 N268 | N262-S266 WeakPolarHBondContact CA-OG 3.12Å; N262-S266 VanDerWaalsContact CB-OG 3.31Å; N262-S266 WeakPolarHBondContact CB-OG 3.43Å; T263-S266 PolarHBondContact N-OG 3.37Å; T263-S266 WeakPolarHBondContact O-CA 3.17Å; T263-S266 WeakPolarHBondContact O-CB 3.3Å; T263-S266 PolarHBondContact O-N 3.15Å; T263-S266 PolarHBondContact O-OG 3.29Å; S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.01Å |
| 267 | V | 58.8 | Low | 63.3 | Low | 111 Ų | 111 | 125 Ų | 125 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.6 | -23 | 177.4 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | S264 E265 | S264-V267 PolarHBondContact O-N 2.8Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.36Å |
| 268 | N | 58 | Low | 62.7 | Low | 121 Ų | 121 | 118.2 Ų | 118.2 | 65% | 0.647 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 4.2 | -176.5 | -85.1 | -53 | 0 | 0 | 0 | 115.1 | E265 S266 | E265-N268 PolarHBondContact O-N 3.48Å; S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.01Å |
| 269 | I | 54.1 | Low | 62.2 | Low | 85 Ų | 85 | 115 Ų | 115 | 44% | 0.436 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -80.6 | -24.3 | -175.6 | -65.4 | 174 | 0 | 0 | 0 | 112 | E265 A271 D274 | E265-I269 WeakPolarHBondContact O-CG1 3.5Å; I269-A271 PolarHBondContact O-N 3.32Å; I269-D274 WeakPolarHBondContact CG2-OD2 3.49Å |
| 270 | G | 50.3 | Low | 61.5 | Low | 82 Ų | 82 | 115.8 Ų | 115.8 | 85% | 0.845 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -15.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 271 | A | 50.6 | Low | 60.8 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -42 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I269 | I269-A271 PolarHBondContact O-N 3.32Š|
| 272 | R | 52.5 | Low | 59.8 | Low | 244 Ų | 244 | 116.6 Ų | 116.6 | 92% | 0.921 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.1 | -3.9 | -169 | -72 | -168.6 | 165.8 | 145.6 | -5.1 | 118.2 | ||
| 273 | R | 55.9 | Low | 59.8 | Low | 217 Ų | 217 | 114.1 Ų | 114.1 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -19.9 | -167.5 | -72.6 | -176.9 | 173.3 | 154.6 | -0.4 | 116.2 | ||
| 274 | D | 57 | Low | 59.9 | Low | 105 Ų | 105 | 115.4 Ų | 115.4 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -91.5 | -15.9 | -171.4 | -80.9 | -11.6 | 0 | 0 | 0 | 115.6 | I269 S276 | I269-D274 WeakPolarHBondContact CG2-OD2 3.49Å; D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 3.31Å |
| 275 | F | 53.4 | Low | 60.2 | Low | 166 Ų | 166 | 116.9 Ų | 116.9 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | trans | -78.9 | 81.6 | 175 | -156.9 | -94.9 | 0 | 0 | 0 | 111.2 | Q277 | F275-Q277 HydrophobicContact CD1-CG 4.46Å; F275-Q277 HydrophobicContact CE1-CG 4.2Å | ||
| 276 | S | 58.3 | Low | 60.8 | Low | 35 Ų | 35 | 115.5 Ų | 115.5 | 25% | 0.245 | 60% | 0.601 | C | S | . | * | trans | -85.7 | 111.2 | 168 | -178 | 0 | 0 | 0 | 0 | 109.4 | D274 L278 K279 H280 | D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 3.31Å; S276-L278 PolarHBondContact O-N 2.86Å; S276-L278 PolarHBondContact OG-N 3.05Å; S276-K279 PolarHBondContact O-N 3.27Å; S276-H280 PolarHBondContact O-N 3.43Å | ||
| 277 | Q | 57.4 | Low | 61.3 | Low | 131 Ų | 131 | 114.4 Ų | 114.4 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -53.3 | -27.2 | 169.8 | -72.5 | 177.8 | -8 | 0 | 0 | 112.4 | F275 K279 I290 | F275-Q277 HydrophobicContact CD1-CG 4.46Å; F275-Q277 HydrophobicContact CE1-CG 4.2Å; Q277-K279 VanDerWaalsContact C-N 3.3Å; Q277-K279 PolarHBondContact O-N 3.14Å; Q277-I290 HydrophobicContact CB-CD1 4.38Å |
| 278 | L | 59.8 | Low | 62.4 | Low | 48 Ų | 48 | 116.9 Ų | 116.9 | 25% | 0.251 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.3 | -28.8 | 174 | -72.7 | 82 | 0 | 0 | 0 | 113.3 | S276 I290 R291 | S276-L278 PolarHBondContact O-N 2.86Å; S276-L278 PolarHBondContact OG-N 3.05Å; L278-I290 HydrophobicContact CD1-CB 3.74Å; L278-I290 HydrophobicContact CD1-CD1 4.07Å; L278-I290 HydrophobicContact CD1-CG2 3.32Å; L278-I290 HydrophobicContact CG-CB 4.2Å; L278-I290 HydrophobicContact CG-CD1 4.27Å; L278-I290 HydrophobicContact CG-CG2 4.31Å; L278-R291 HydrophobicContact CD2-CG 3.75Å |
| 279 | K | 60.9 | Low | 63.5 | Low | 157 Ų | 157 | 116.8 Ų | 116.8 | 68% | 0.683 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -85.6 | -21.6 | -176.6 | -70.8 | -178.2 | -176.9 | 172.9 | 0 | 112.6 | S276 Q277 | S276-K279 PolarHBondContact O-N 3.27Å; Q277-K279 VanDerWaalsContact C-N 3.3Å; Q277-K279 PolarHBondContact O-N 3.14Å |
| 280 | H | 60 | Low | 64.8 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -111.2 | -29.4 | -166.6 | -72.9 | -74 | 0 | 0 | 0 | 116.4 | S276 | S276-H280 PolarHBondContact O-N 3.43Å |
| 281 | Q | 61 | Low | 66.3 | Low | 189 Ų | 189 | 118.7 Ų | 118.7 | 88% | 0.883 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | 16.1 | 179.6 | -67.2 | -166.8 | -2.1 | 0 | 0 | 116.1 | ||
| 282 | A | 57.5 | Low | 67.8 | Low | 28 Ų | 28 | 117 Ų | 117 | 23% | 0.231 | 55% | 0.553 | C | S | . | * | trans | -88.9 | 121.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K286 A287 | A282-K286 HydrophobicContact CB-CB 4.16Å; A282-K286 HydrophobicContact CB-CG 4.43Å; A282-A287 HydrophobicContact CB-CB 4.21Å | ||
| 283 | T | 74 | Confident | 69.4 | Low | 89 Ų | 89 | 109.4 Ų | 109.4 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | trans | -55.3 | 153 | 159.8 | 56.9 | 0 | 0 | 0 | 0 | 110 | N285 K286 A287 | T283-N285 PolarHBondContact O-N 2.9Å; T283-N285 VanDerWaalsContact O-N 3.07Å; T283-K286 PolarHBondContact O-N 3.16Å; T283-A287 PolarHBondContact O-N 2.83Å | ||
| 284 | P | 76.5 | Confident | 70.7 | Confident | 111 Ų | 111 | 103.3 Ų | 103.3 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -53.8 | -34.1 | -176.5 | 15.2 | -28.5 | 0 | 0 | 0 | 113.7 | A287 K288 | P284-A287 PolarHBondContact O-N 3.29Å; P284-K288 PolarHBondContact O-N 3.36Å; P284-K288 VanDerWaalsContact O-N 3.08Å |
| 285 | N | 77.6 | Confident | 72 | Confident | 130 Ų | 130 | 107.2 Ų | 107.2 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.2 | -46.2 | 174.1 | -71.4 | -12 | 0 | 0 | 0 | 112.2 | T283 A287 K288 Q289 | T283-N285 PolarHBondContact O-N 2.9Å; T283-N285 VanDerWaalsContact O-N 3.07Å; N285-A287 VanDerWaalsContact C-N 3.32Å; N285-A287 PolarHBondContact O-N 3.21Å; N285-K288 PolarHBondContact O-N 3.06Å; N285-Q289 PolarHBondContact O-N 3.5Å; N285-Q289 VanDerWaalsContact O-N 3.09Å |
| 286 | K | 77.6 | Confident | 73.5 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 177.7 | -163.4 | 156.9 | -173.5 | 172.1 | 0 | 111.4 | A282 T283 K288 Q289 I290 | A282-K286 HydrophobicContact CB-CB 4.16Å; A282-K286 HydrophobicContact CB-CG 4.43Å; T283-K286 PolarHBondContact O-N 3.16Å; K286-K288 PolarHBondContact O-N 3.33Å; K286-Q289 PolarHBondContact O-N 3.49Å; K286-I290 HydrophobicContact CG-CD1 4.24Å; K286-I290 VanDerWaalsContact O-CG1 3.27Å; K286-I290 WeakPolarHBondContact O-CG1 3.48Å; K286-I290 PolarHBondContact O-N 2.98Å |
| 287 | A | 76.5 | Confident | 74.7 | Confident | 18 Ų | 18 | 108.9 Ų | 108.9 | 15% | 0.149 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A282 T283 P284 N285 R291 | A282-A287 HydrophobicContact CB-CB 4.21Å; T283-A287 PolarHBondContact O-N 2.83Å; P284-A287 PolarHBondContact O-N 3.29Å; N285-A287 VanDerWaalsContact C-N 3.32Å; N285-A287 PolarHBondContact O-N 3.21Å; A287-R291 WeakPolarHBondContact O-CG 3.16Å; A287-R291 PolarHBondContact O-N 3.36Å; A287-R291 VanDerWaalsContact O-N 3.08Å |
| 288 | K | 80.7 | Confident | 76 | Confident | 163 Ų | 163 | 110.1 Ų | 110.1 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 175.6 | -166.5 | 178.1 | -179.1 | -177 | 0 | 111.6 | P284 N285 K286 R291 S292 | P284-K288 PolarHBondContact O-N 3.36Å; P284-K288 VanDerWaalsContact O-N 3.08Å; N285-K288 PolarHBondContact O-N 3.06Å; K286-K288 PolarHBondContact O-N 3.33Å; K288-R291 PolarHBondContact O-N 3.12Å; K288-S292 PolarHBondContact O-N 3.37Å |
| 289 | Q | 82.7 | Confident | 77.2 | Confident | 120 Ų | 120 | 113.4 Ų | 113.4 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 178.2 | -163.9 | 177 | 11.8 | 0 | 0 | 112.7 | N285 K286 R291 S292 N293 | N285-Q289 PolarHBondContact O-N 3.5Å; N285-Q289 VanDerWaalsContact O-N 3.09Å; K286-Q289 PolarHBondContact O-N 3.49Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 3.46Å; Q289-S292 PolarHBondContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.16Å; Q289-N293 PolarHBondContact O-N 3.45Å |
| 290 | I | 80 | Confident | 78.3 | Confident | 30 Ų | 30 | 113.5 Ų | 113.5 | 15% | 0.154 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 177.1 | -56.1 | 160.6 | 0 | 0 | 0 | 110.7 | Q277 L278 K286 N293 N294 | Q277-I290 HydrophobicContact CB-CD1 4.38Å; L278-I290 HydrophobicContact CD1-CB 3.74Å; L278-I290 HydrophobicContact CD1-CD1 4.07Å; L278-I290 HydrophobicContact CD1-CG2 3.32Å; L278-I290 HydrophobicContact CG-CB 4.2Å; L278-I290 HydrophobicContact CG-CD1 4.27Å; L278-I290 HydrophobicContact CG-CG2 4.31Å; K286-I290 HydrophobicContact CG-CD1 4.24Å; K286-I290 VanDerWaalsContact O-CG1 3.27Å; K286-I290 WeakPolarHBondContact O-CG1 3.48Å; K286-I290 PolarHBondContact O-N 2.98Å; I290-N293 PolarHBondContact O-N 2.94Å; I290-N294 WeakPolarHBondContact O-CB 3.32Å; I290-N294 PolarHBondContact O-N 2.85Å |
| 291 | R | 81.9 | Confident | 79.4 | Confident | 176 Ų | 176 | 116 Ų | 116 | 66% | 0.664 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61.6 | -43.6 | 173.5 | -75 | -178.9 | -174.2 | 177.1 | 2.2 | 112.1 | L278 A287 K288 Q289 N294 R295 | L278-R291 HydrophobicContact CD2-CG 3.75Å; A287-R291 WeakPolarHBondContact O-CG 3.16Å; A287-R291 PolarHBondContact O-N 3.36Å; A287-R291 VanDerWaalsContact O-N 3.08Å; K288-R291 PolarHBondContact O-N 3.12Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 3.46Å; R291-N294 PolarHBondContact O-N 3.25Å; R291-R295 WeakPolarHBondContact O-CB 3.05Å; R291-R295 PolarHBondContact O-N 3.41Å |
| 292 | S | 83.5 | Confident | 80.5 | Confident | 52 Ų | 52 | 114.5 Ų | 114.5 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 178.2 | 70 | 0 | 0 | 0 | 0 | 111.4 | K288 Q289 R295 K296 | K288-S292 PolarHBondContact O-N 3.37Å; Q289-S292 PolarHBondContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.16Å; S292-R295 PolarHBondContact O-N 3Å; S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.24Å |
| 293 | N | 84.2 | Confident | 81.6 | Confident | 85 Ų | 85 | 120.6 Ų | 120.6 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -44.7 | 176.1 | -72.9 | -9.3 | 0 | 0 | 0 | 112.2 | Q289 I290 R295 K296 L297 | Q289-N293 PolarHBondContact O-N 3.45Å; I290-N293 PolarHBondContact O-N 2.94Å; N293-R295 VanDerWaalsContact C-N 3.31Å; N293-R295 PolarHBondContact O-N 2.87Å; N293-K296 PolarHBondContact O-N 2.98Å; N293-L297 WeakPolarHBondContact O-CB 2.79Å; N293-L297 PolarHBondContact O-N 3.44Å |
| 294 | N | 83.3 | Confident | 81.8 | Confident | 88 Ų | 88 | 121.8 Ų | 121.8 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -35.5 | 175.6 | -84 | -26.4 | 0 | 0 | 0 | 112.8 | I290 R291 L297 K298 | I290-N294 WeakPolarHBondContact O-CB 3.32Å; I290-N294 PolarHBondContact O-N 2.85Å; R291-N294 PolarHBondContact O-N 3.25Å; N294-L297 PolarHBondContact O-N 3.48Å; N294-K298 PolarHBondContact O-N 2.91Å |
| 295 | R | 84.7 | Confident | 81.9 | Confident | 188 Ų | 188 | 121.3 Ų | 121.3 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -43.9 | 175.7 | -155.3 | 176.6 | -172.1 | 175.8 | 1.5 | 110.9 | R291 S292 N293 K298 Q299 | R291-R295 WeakPolarHBondContact O-CB 3.05Å; R291-R295 PolarHBondContact O-N 3.41Å; S292-R295 PolarHBondContact O-N 3Å; N293-R295 VanDerWaalsContact C-N 3.31Å; N293-R295 PolarHBondContact O-N 2.87Å; R295-K298 PolarHBondContact O-N 3.32Å; R295-Q299 WeakPolarHBondContact O-CG 3.15Å; R295-Q299 PolarHBondContact O-N 3.42Å |
| 296 | K | 84.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 123.7 Ų | 123.7 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.6 | -42.7 | 173.2 | -71.6 | -178.7 | 178.6 | -176 | 0 | 111.8 | S292 N293 Q299 K300 | S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.24Å; N293-K296 PolarHBondContact O-N 2.98Å; K296-Q299 PolarHBondContact O-N 3.08Å; K296-K300 PolarHBondContact O-N 2.86Å |
| 297 | L | 84.6 | Confident | 81.5 | Confident | 100 Ų | 100 | 128.2 Ų | 128.2 | 52% | 0.524 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.5 | -43 | 178.8 | -149.9 | 100.9 | 0 | 0 | 0 | 112 | N293 N294 Q299 K300 R301 | N293-L297 WeakPolarHBondContact O-CB 2.79Å; N293-L297 PolarHBondContact O-N 3.44Å; N294-L297 PolarHBondContact O-N 3.48Å; L297-Q299 PolarHBondContact O-N 3.31Å; L297-K300 PolarHBondContact O-N 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 2.94Å |
| 298 | K | 84.8 | Confident | 80.9 | Confident | 157 Ų | 157 | 137.9 Ų | 137.9 | 68% | 0.683 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 173.7 | -86.3 | -171.6 | 175.2 | -174.8 | 0 | 112.2 | N294 R295 R301 K302 | N294-K298 PolarHBondContact O-N 2.91Å; R295-K298 PolarHBondContact O-N 3.32Å; K298-R301 PolarHBondContact O-N 3.42Å; K298-K302 PolarHBondContact O-N 2.97Å |
| 299 | Q | 84.1 | Confident | 79.9 | Confident | 116 Ų | 116 | 136 Ų | 136 | 54% | 0.542 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 175.9 | -74.8 | 176.2 | -19 | 0 | 0 | 111.9 | R295 K296 L297 K302 K303 | R295-Q299 WeakPolarHBondContact O-CG 3.15Å; R295-Q299 PolarHBondContact O-N 3.42Å; K296-Q299 PolarHBondContact O-N 3.08Å; L297-Q299 PolarHBondContact O-N 3.31Å; Q299-K302 PolarHBondContact O-N 3.36Å; Q299-K303 PolarHBondContact O-N 3Å |
| 300 | K | 85.1 | Confident | 79.7 | Confident | 159 Ų | 159 | 136.8 Ų | 136.8 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.5 | -46.8 | 172.7 | -92.2 | -170.2 | 173.5 | -173.9 | 0 | 111.8 | K296 L297 K302 K303 M304 | K296-K300 PolarHBondContact O-N 2.86Å; L297-K300 PolarHBondContact O-N 3.48Å; K300-K302 PolarHBondContact O-N 2.9Å; K300-K303 PolarHBondContact O-N 3.36Å; K300-M304 WeakPolarHBondContact O-CG 3.2Å; K300-M304 PolarHBondContact O-N 2.81Å |
| 301 | R | 83.3 | Confident | 79.7 | Confident | 179 Ų | 179 | 142.4 Ų | 142.4 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.9 | -43.5 | 178.2 | -70.2 | 178.8 | 94.7 | 159.2 | 6 | 112 | L297 K298 K303 M304 T305 | L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 2.94Å; K298-R301 PolarHBondContact O-N 3.42Å; R301-K303 VanDerWaalsContact C-N 3.32Å; R301-K303 PolarHBondContact O-N 3.13Å; R301-M304 PolarHBondContact O-N 3.02Å; R301-T305 WeakPolarHBondContact O-CG2 3.18Å; R301-T305 PolarHBondContact O-N 3.41Å; R301-T305 PolarHBondContact O-OG1 3.39Å |
| 302 | K | 82.7 | Confident | 79.6 | Confident | 156 Ų | 156 | 140.6 Ų | 140.6 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.4 | -36.8 | 174.7 | -77.8 | -169.9 | 174.7 | -166.6 | 0 | 113.2 | K298 Q299 K300 T305 K306 | K298-K302 PolarHBondContact O-N 2.97Å; Q299-K302 PolarHBondContact O-N 3.36Å; K300-K302 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.38Å; K302-T305 VanDerWaalsContact O-OG1 3.06Å; K302-K306 PolarHBondContact O-N 3.37Å |
| 303 | K | 81.5 | Confident | 79.3 | Confident | 157 Ų | 157 | 145.8 Ų | 145.8 | 68% | 0.683 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70 | -37.3 | 175 | -75.6 | -171.4 | 176.1 | -170.4 | 0 | 112.2 | Q299 K300 R301 R307 | Q299-K303 PolarHBondContact O-N 3Å; K300-K303 PolarHBondContact O-N 3.36Å; R301-K303 VanDerWaalsContact C-N 3.32Å; R301-K303 PolarHBondContact O-N 3.13Å; K303-R307 PolarHBondContact O-N 3.16Å |
| 304 | M | 78.1 | Confident | 79 | Confident | 114 Ų | 114 | 149.6 Ų | 149.6 | 56% | 0.562 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -69.8 | -38.7 | 177.2 | -69.9 | -72.5 | -73.3 | 0 | 0 | 112.4 | K300 R301 K306 R307 R308 | K300-M304 WeakPolarHBondContact O-CG 3.2Å; K300-M304 PolarHBondContact O-N 2.81Å; R301-M304 PolarHBondContact O-N 3.02Å; M304-K306 VanDerWaalsContact C-N 3.35Å; M304-R307 PolarHBondContact O-N 3.16Å; M304-R308 PolarHBondContact O-N 3.35Å |
| 305 | T | 77.3 | Confident | 78.8 | Confident | 100 Ų | 100 | 153.7 Ų | 153.7 | 61% | 0.613 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -69.3 | -33.4 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | R301 K302 R307 R308 | R301-T305 WeakPolarHBondContact O-CG2 3.18Å; R301-T305 PolarHBondContact O-N 3.41Å; R301-T305 PolarHBondContact O-OG1 3.39Å; K302-T305 PolarHBondContact O-OG1 3.38Å; K302-T305 VanDerWaalsContact O-OG1 3.06Å; T305-R307 PolarHBondContact O-N 3.17Å; T305-R308 PolarHBondContact O-N 3.02Å |
| 306 | K | 75.7 | Confident | 78.3 | Confident | 181 Ų | 181 | 151.2 Ų | 151.2 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -10 | 172.1 | -84.7 | -166.8 | 172.9 | -164.5 | 0 | 114.5 | K302 M304 | K302-K306 PolarHBondContact O-N 3.37Å; M304-K306 VanDerWaalsContact C-N 3.35Å |
| 307 | R | 71.3 | Confident | 77.8 | Confident | 217 Ų | 217 | 152.4 Ų | 152.4 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -2.4 | 175.8 | -83.9 | -175 | 155.3 | -175.4 | -7.3 | 112.9 | K303 M304 T305 | K303-R307 PolarHBondContact O-N 3.16Å; M304-R307 PolarHBondContact O-N 3.16Å; T305-R307 PolarHBondContact O-N 3.17Å |
| 308 | R | 65.5 | Low | 77.3 | Confident | 222 Ų | 222 | 156.8 Ų | 156.8 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -116.8 | 4.9 | -176 | -82 | -170.1 | 163.8 | -164.9 | -5.1 | 113.7 | M304 T305 | M304-R308 PolarHBondContact O-N 3.35Å; T305-R308 PolarHBondContact O-N 3.02Å | ||
| 309 | G | 58 | Low | 76.6 | Confident | 123 Ų | 123 | 156.7 Ų | 156.7 | 100% | 1.268 | 74% | 0.741 | S | S | * | * | trans | -132.3 | 0 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 309 of 309 residues in 175.1 ms
(Link to these results)