| 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 | 41.4 | Very low | 45.8 | Very low | 253 Ų | 253 | 165.2 Ų | 165.2 | 100% | 1.246 | 83% | 0.834 | S | S | * | * | 0 | 87.8 | 0 | -128.3 | 177.7 | -169.2 | 0 | 0 | 105.5 | |||||
| 2 | E | 37.5 | Very low | 46.4 | Very low | 197 Ų | 197 | 162.1 Ų | 162.1 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -114.2 | 128.7 | -170.7 | -137.7 | 159.1 | 152.8 | 0 | 0 | 108.5 | E4 | E2-E4 PolarHBondContact O-N 2.76Š| ||
| 3 | L | 42.8 | Very low | 47.4 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -79.2 | 112.2 | -163.6 | -152.3 | 84 | 0 | 0 | 0 | 109.7 | R5 | L3-R5 PolarHBondContact O-N 3.27Š| ||
| 4 | E | 41.1 | Very low | 48.3 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 112.6 | 171.9 | -73.4 | -175.6 | 155 | 0 | 0 | 110.1 | E2 T6 | E2-E4 PolarHBondContact O-N 2.76Å; E4-T6 PolarHBondContact O-N 3.1Å | ||
| 5 | R | 46.1 | Very low | 49.3 | Very low | 225 Ų | 225 | 152.7 Ų | 152.7 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -79.2 | 109.7 | 168 | -68.9 | -172.8 | -164.8 | 93 | 1.3 | 108.6 | L3 V7 | L3-R5 PolarHBondContact O-N 3.27Å; R5-V7 PolarHBondContact O-N 2.84Å; R5-V7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | T | 45.2 | Very low | 50.5 | Low | 126 Ų | 126 | 151.6 Ų | 151.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 108 | 166.5 | 45 | 0 | 0 | 0 | 0 | 109.7 | E4 T8 | E4-T6 PolarHBondContact O-N 3.1Å; T6-T8 PolarHBondContact O-N 2.96Å | ||
| 7 | V | 49.1 | Very low | 51.6 | Low | 130 Ų | 130 | 150.1 Ų | 150.1 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -70.2 | 98.4 | 171 | 177.3 | 0 | 0 | 0 | 0 | 107.7 | R5 V9 | R5-V7 PolarHBondContact O-N 2.84Å; R5-V7 VanDerWaalsContact O-N 3.12Å; V7-V9 PolarHBondContact O-N 3.41Å | ||
| 8 | T | 47.3 | Very low | 52.9 | Low | 98 Ų | 98 | 150.3 Ų | 150.3 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | trans | -70.8 | 105.4 | 168.1 | 47.1 | 0 | 0 | 0 | 0 | 108.7 | T6 R10 | T6-T8 PolarHBondContact O-N 2.96Å; T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.24Å | ||
| 9 | V | 51.1 | Low | 54.7 | Low | 139 Ų | 139 | 144.2 Ų | 144.2 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -64.3 | 93.9 | 168 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | V7 S11 | V7-V9 PolarHBondContact O-N 3.41Å; V9-S11 PolarHBondContact O-N 3.27Å; V9-S11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | R | 47.7 | Very low | 56.3 | Low | 208 Ų | 208 | 140.8 Ų | 140.8 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -72.4 | 103.9 | 174.4 | -81.6 | -176.6 | -123.9 | -177.9 | 0.2 | 109.7 | T8 T12 | T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 3.24Å; R10-T12 PolarHBondContact O-N 3.24Å; R10-T12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | S | 54.9 | Low | 57.8 | Low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -6.3 | 90.7 | 154.9 | 48.5 | 0 | 0 | 0 | 0 | 116.7 | V9 S13 | V9-S11 PolarHBondContact O-N 3.27Å; V9-S11 VanDerWaalsContact O-N 3.15Å; S11-S13 VanDerWaalsContact C-N 3.31Å | ||
| 12 | T | 52.1 | Low | 60 | Low | 128 Ų | 128 | 126.6 Ų | 126.6 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.5 | -9.3 | 167.3 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | R10 | R10-T12 PolarHBondContact O-N 3.24Å; R10-T12 VanDerWaalsContact O-N 3.08Å |
| 13 | S | 59.3 | Low | 62.5 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | -177.7 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | S11 R15 H16 E17 | S11-S13 VanDerWaalsContact C-N 3.31Å; S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 2.98Å; S13-R15 VanDerWaalsContact O-N 3.17Å; S13-H16 PolarHBondContact O-N 3.38Å; S13-E17 PolarHBondContact O-N 3.44Å |
| 14 | S | 60.7 | Low | 64.8 | Low | 57 Ų | 57 | 112.3 Ų | 112.3 | 40% | 0.399 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -28.1 | -173.6 | 172.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 15 | R | 62.9 | Low | 67.1 | Low | 221 Ų | 221 | 110.1 Ų | 110.1 | 83% | 0.834 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.8 | -36 | 179.8 | -168.2 | 179.1 | -178.6 | -153.9 | 0.7 | 112 | S13 K18 | S13-R15 VanDerWaalsContact C-N 3.28Å; S13-R15 PolarHBondContact O-N 2.98Å; S13-R15 VanDerWaalsContact O-N 3.17Å; R15-K18 PolarHBondContact O-N 3.01Å |
| 16 | H | 69.1 | Low | 69.2 | Low | 135 Ų | 135 | 104.4 Ų | 104.4 | 63% | 0.625 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -36.6 | -175.9 | -165.4 | 76.1 | 0 | 0 | 0 | 112 | S13 K18 S19 | S13-H16 PolarHBondContact O-N 3.38Å; H16-K18 PolarHBondContact O-N 3.46Å; H16-K18 VanDerWaalsContact O-N 3.13Å; H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.28Å; H16-S19 PolarHBondContact O-N 3.16Å; H16-S19 PolarHBondContact O-OG 2.86Å |
| 17 | E | 69.4 | Low | 71.3 | Confident | 125 Ų | 125 | 98.4 Ų | 98.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.7 | 176.4 | -69.4 | 172.7 | -169.7 | 0 | 0 | 113.9 | S13 | S13-E17 PolarHBondContact O-N 3.44Š|
| 18 | K | 75.4 | Confident | 73.2 | Confident | 155 Ų | 155 | 93.9 Ų | 93.9 | 67% | 0.674 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 8.9 | 179.2 | -60.2 | 176.7 | -172.9 | 167.3 | 0 | 112.9 | R15 H16 | R15-K18 PolarHBondContact O-N 3.01Å; H16-K18 PolarHBondContact O-N 3.46Å; H16-K18 VanDerWaalsContact O-N 3.13Å |
| 19 | S | 85.4 | Confident | 75.2 | Confident | 33 Ų | 33 | 91.9 Ų | 91.9 | 23% | 0.231 | 48% | 0.482 | C | S | . | . | trans | -68.2 | 145.9 | -178.8 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | H16 G21 L22 L23 | H16-S19 VanDerWaalsContact O-CB 3.26Å; H16-S19 WeakPolarHBondContact O-CB 3.28Å; H16-S19 PolarHBondContact O-N 3.16Å; H16-S19 PolarHBondContact O-OG 2.86Å; S19-G21 PolarHBondContact O-N 2.96Å; S19-L22 PolarHBondContact O-N 3.13Å; S19-L22 WeakPolarHBondContact OG-CB 3.38Å; S19-L22 PolarHBondContact OG-N 3.47Å; S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.07Å | ||
| 20 | L | 87.3 | Confident | 77 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 40% | 0.398 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 175.3 | -171.9 | 67.9 | 0 | 0 | 0 | 110.8 | L22 L23 T24 R55 D58 I59 | L20-L22 PolarHBondContact O-N 3.11Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 2.92Å; L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 2.88Å; L20-R55 HydrophobicContact CD1-CB 4.35Å; L20-D58 HydrophobicContact CD1-CB 3.97Å; L20-D58 HydrophobicContact CD2-CB 4.28Å; L20-I59 HydrophobicContact CD1-CD1 4.32Å; L20-I59 HydrophobicContact CD1-CG1 3.91Å |
| 21 | G | 88.5 | Confident | 78.9 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S19 T24 M25 | S19-G21 PolarHBondContact O-N 2.96Å; G21-T24 PolarHBondContact O-N 3.05Å; G21-M25 PolarHBondContact O-N 3.09Å |
| 22 | L | 88.1 | Confident | 80.3 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 177 | -173.9 | 67.1 | 0 | 0 | 0 | 111.9 | S19 L20 T24 M25 K26 | S19-L22 PolarHBondContact O-N 3.13Å; S19-L22 WeakPolarHBondContact OG-CB 3.38Å; S19-L22 PolarHBondContact OG-N 3.47Å; L20-L22 PolarHBondContact O-N 3.11Å; L22-T24 VanDerWaalsContact C-N 3.35Å; L22-M25 PolarHBondContact O-N 2.81Å; L22-K26 PolarHBondContact O-N 2.88Å; L22-K26 VanDerWaalsContact O-N 3.1Å |
| 23 | L | 89.4 | Confident | 81.9 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.1 | -65.4 | 176.4 | 0 | 0 | 0 | 111.3 | S19 L20 K26 F27 L48 V50 R55 I59 | S19-L23 WeakPolarHBondContact O-CG 3.38Å; S19-L23 PolarHBondContact O-N 3.07Å; L20-L23 WeakPolarHBondContact O-CB 3.25Å; L20-L23 PolarHBondContact O-N 2.92Å; L23-K26 PolarHBondContact O-N 3.12Å; L23-F27 VanDerWaalsContact O-CB 3.24Å; L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.47Å; L23-L48 HydrophobicContact CB-CD2 4.31Å; L23-L48 HydrophobicContact CD2-CD2 3.98Å; L23-L48 VanDerWaalsContact O-CD2 3.26Å; L23-L48 WeakPolarHBondContact O-CD2 3.37Å; L23-V50 HydrophobicContact CD1-CG1 4.49Å; L23-V50 HydrophobicContact CD2-CG2 3.98Å; L23-R55 HydrophobicContact CD1-CB 3.77Å; L23-R55 HydrophobicContact CD1-CG 3.82Å; L23-I59 HydrophobicContact CB-CD1 3.97Å |
| 24 | T | 90.7 | Very high | 83 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 111 | L20 G21 L22 K26 F27 V28 I59 | L20-T24 PolarHBondContact O-N 3.06Å; L20-T24 PolarHBondContact O-OG1 2.88Å; G21-T24 PolarHBondContact O-N 3.05Å; L22-T24 VanDerWaalsContact C-N 3.35Å; T24-K26 PolarHBondContact O-N 3.01Å; T24-F27 PolarHBondContact O-N 3.22Å; T24-V28 HydrophobicContact CG2-CG2 4.36Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.31Å; T24-V28 PolarHBondContact O-N 3.35Å; T24-I59 HydrophobicContact CG2-CG2 4.42Å |
| 25 | M | 90.2 | Very high | 83.7 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.9 | -48.7 | 178.3 | -74.7 | -160.5 | 165 | 0 | 0 | 112 | G21 L22 F27 V28 S29 | G21-M25 PolarHBondContact O-N 3.09Å; L22-M25 PolarHBondContact O-N 2.81Å; M25-F27 VanDerWaalsContact C-N 3.32Å; M25-F27 PolarHBondContact O-N 2.96Å; M25-V28 PolarHBondContact O-N 3.42Å; M25-S29 PolarHBondContact O-N 3.06Å; M25-S29 PolarHBondContact O-OG 3.3Å |
| 26 | K | 89.3 | Confident | 84.2 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 175.8 | -72.3 | -178.7 | 178.3 | -173.8 | 0 | 112.5 | L22 L23 T24 S29 L30 L48 | L22-K26 PolarHBondContact O-N 2.88Å; L22-K26 VanDerWaalsContact O-N 3.1Å; L23-K26 PolarHBondContact O-N 3.12Å; T24-K26 PolarHBondContact O-N 3.01Å; K26-S29 PolarHBondContact O-N 3.46Å; K26-L30 WeakPolarHBondContact O-CG 3.47Å; K26-L30 PolarHBondContact O-N 3.28Å; K26-L48 HydrophobicContact CB-CD2 3.5Å; K26-L48 HydrophobicContact CD-CD2 4.42Å |
| 27 | F | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.9 | -173.3 | -82.7 | 0 | 0 | 0 | 111.3 | L23 T24 M25 L30 L31 L39 L41 A44 L48 I56 I59 T60 L63 I77 | L23-F27 VanDerWaalsContact O-CB 3.24Å; L23-F27 WeakPolarHBondContact O-CB 3.42Å; L23-F27 PolarHBondContact O-N 3.47Å; T24-F27 PolarHBondContact O-N 3.22Å; M25-F27 VanDerWaalsContact C-N 3.32Å; M25-F27 PolarHBondContact O-N 2.96Å; F27-L30 PolarHBondContact O-N 2.78Å; F27-L31 HydrophobicContact CE1-CD2 4.19Å; F27-L31 WeakPolarHBondContact O-CB 3.36Å; F27-L31 PolarHBondContact O-N 2.98Å; F27-L39 HydrophobicContact CE1-CD2 4.24Å; F27-L39 HydrophobicContact CE2-CD2 4.23Å; F27-L39 HydrophobicContact CZ-CD2 3.97Å; F27-L41 HydrophobicContact CE2-CD2 4.19Å; F27-L41 HydrophobicContact CZ-CD2 4.05Å; F27-A44 HydrophobicContact CD2-CB 4.43Å; F27-A44 HydrophobicContact CE2-CB 4.17Å; F27-L48 HydrophobicContact CB-CD1 4.02Å; F27-L48 HydrophobicContact CB-CD2 4.41Å; F27-L48 HydrophobicContact CD2-CD1 3.57Å; F27-L48 HydrophobicContact CG-CD1 4.28Å; F27-I56 HydrophobicContact CD2-CD1 4.12Å; F27-I56 HydrophobicContact CE2-CD1 4.19Å; F27-I56 HydrophobicContact CE2-CG2 4.37Å; F27-I59 HydrophobicContact CB-CD1 4.31Å; F27-I59 HydrophobicContact CB-CG2 4.37Å; F27-I59 HydrophobicContact CD1-CG2 3.79Å; F27-I59 HydrophobicContact CD2-CG2 4.48Å; F27-I59 HydrophobicContact CE1-CG2 4.17Å; F27-I59 HydrophobicContact CG-CG2 3.97Å; F27-T60 HydrophobicContact CZ-CG2 4.02Å; F27-L63 HydrophobicContact CD1-CD1 4.2Å; F27-L63 HydrophobicContact CE1-CD1 4.08Å; F27-I77 HydrophobicContact CE1-CD1 3.83Å; F27-I77 HydrophobicContact CZ-CD1 3.52Å |
| 28 | V | 89.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 21% | 0.212 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T24 M25 L30 L31 Q32 | T24-V28 HydrophobicContact CG2-CG2 4.36Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.31Å; T24-V28 PolarHBondContact O-N 3.35Å; M25-V28 PolarHBondContact O-N 3.42Å; V28-L30 PolarHBondContact O-N 2.91Å; V28-L31 WeakPolarHBondContact O-CB 3.23Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-Q32 HydrophobicContact CG1-CG 4.36Å; V28-Q32 WeakPolarHBondContact O-CG 3.45Å; V28-Q32 PolarHBondContact O-N 3.01Å |
| 29 | S | 89.3 | Confident | 86.3 | Confident | 55 Ų | 55 | 61 Ų | 61 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 174 | -60 | 0 | 0 | 0 | 0 | 112 | M25 K26 L31 Q32 E33 | M25-S29 PolarHBondContact O-N 3.06Å; M25-S29 PolarHBondContact O-OG 3.3Å; K26-S29 PolarHBondContact O-N 3.46Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 2.95Å; S29-Q32 PolarHBondContact O-N 3.14Å; S29-E33 WeakPolarHBondContact O-CG 3.32Å; S29-E33 PolarHBondContact O-N 3.2Å |
| 30 | L | 88.9 | Confident | 86.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 175.8 | -69.9 | 170.4 | 0 | 0 | 0 | 112.3 | K26 F27 V28 A34 L39 A44 L48 | K26-L30 WeakPolarHBondContact O-CG 3.47Å; K26-L30 PolarHBondContact O-N 3.28Å; F27-L30 PolarHBondContact O-N 2.78Å; V28-L30 PolarHBondContact O-N 2.91Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.82Å; L30-L39 HydrophobicContact CB-CD1 4.19Å; L30-L39 HydrophobicContact CB-CD2 4.47Å; L30-A44 HydrophobicContact CD1-CB 4.38Å; L30-L48 HydrophobicContact CD1-CD1 4.33Å; L30-L48 HydrophobicContact CD1-CG 4.25Å |
| 31 | L | 87.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 178.5 | -168.8 | 56.7 | 0 | 0 | 0 | 112.1 | F27 V28 S29 A34 L39 I69 I77 W79 Q82 | F27-L31 HydrophobicContact CE1-CD2 4.19Å; F27-L31 WeakPolarHBondContact O-CB 3.36Å; F27-L31 PolarHBondContact O-N 2.98Å; V28-L31 WeakPolarHBondContact O-CB 3.23Å; V28-L31 PolarHBondContact O-N 3.19Å; S29-L31 VanDerWaalsContact C-N 3.26Å; S29-L31 PolarHBondContact O-N 2.95Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.38Å; L31-L39 HydrophobicContact CB-CD2 4.16Å; L31-L39 HydrophobicContact CD1-CB 3.55Å; L31-L39 HydrophobicContact CD1-CD2 3.9Å; L31-L39 HydrophobicContact CD1-CG 4.33Å; L31-I69 HydrophobicContact CD2-CG2 3.86Å; L31-I77 HydrophobicContact CD1-CD1 4.24Å; L31-W79 HydrophobicContact CD1-CB 3.88Å; L31-W79 HydrophobicContact CD2-CB 4.22Å; L31-W79 HydrophobicContact CD2-CD2 3.82Å; L31-W79 HydrophobicContact CD2-CE3 3.16Å; L31-W79 HydrophobicContact CD2-CG 4.28Å; L31-W79 HydrophobicContact CD2-CZ3 3.64Å; L31-W79 HydrophobicContact CG-CB 3.84Å; L31-W79 HydrophobicContact CG-CD2 4.1Å; L31-W79 HydrophobicContact CG-CE3 3.95Å; L31-W79 HydrophobicContact CG-CG 4.11Å; L31-Q82 PolarHBondContact O-OE1 2.94Å; L31-Q82 VanDerWaalsContact O-OE1 3.11Å |
| 32 | Q | 84.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.6 | -35.8 | 175.6 | -72.9 | 175.2 | -16 | 0 | 0 | 112.6 | V28 S29 A34 Q82 | V28-Q32 HydrophobicContact CG1-CG 4.36Å; V28-Q32 WeakPolarHBondContact O-CG 3.45Å; V28-Q32 PolarHBondContact O-N 3.01Å; S29-Q32 PolarHBondContact O-N 3.14Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; Q32-Q82 PolarHBondContact O-NE2 3.38Å |
| 33 | E | 83.9 | Confident | 86.2 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 71% | 0.71 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.5 | -19.5 | 175.8 | -71.2 | 170.6 | -165.9 | 0 | 0 | 112.7 | S29 K35 | S29-E33 WeakPolarHBondContact O-CG 3.32Å; S29-E33 PolarHBondContact O-N 3.2Å; E33-K35 PolarHBondContact O-N 3.4Å |
| 34 | A | 83.9 | Confident | 86.1 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 12% | 0.124 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -64.9 | 126.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L30 L31 Q32 D36 G37 V38 L39 | L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.82Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.38Å; Q32-A34 VanDerWaalsContact C-N 3.28Å; A34-D36 PolarHBondContact O-N 3.45Å; A34-G37 PolarHBondContact O-N 3.18Å; A34-V38 WeakPolarHBondContact CB-O 3.47Å; A34-L39 HydrophobicContact CB-CB 4.36Å; A34-L39 HydrophobicContact CB-CD1 4.18Å |
| 35 | K | 74.1 | Confident | 85.8 | Confident | 176 Ų | 176 | 63.6 Ų | 63.6 | 77% | 0.765 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -61.7 | 136.4 | 175.4 | -163 | -178.7 | 177.2 | -175 | 0 | 109.8 | E33 G37 V38 | E33-K35 PolarHBondContact O-N 3.4Å; K35-G37 PolarHBondContact O-N 3.44Å; K35-G37 VanDerWaalsContact O-N 3.1Å; K35-V38 PolarHBondContact O-N 3.5Å |
| 36 | D | 74.6 | Confident | 85.5 | Confident | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 60.4 | 15.6 | -178.3 | -50.5 | -44.4 | 0 | 0 | 0 | 114.5 | A34 V38 | A34-D36 PolarHBondContact O-N 3.45Å; D36-V38 HydrophobicContact CB-CG2 4.48Å; D36-V38 PolarHBondContact O-N 3.46Å |
| 37 | G | 81.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | 66.3 | 18.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A34 K35 Q78 W79 | A34-G37 PolarHBondContact O-N 3.18Å; K35-G37 PolarHBondContact O-N 3.44Å; K35-G37 VanDerWaalsContact O-N 3.1Å; G37-Q78 CarbonylContact O-C 3.52Å; G37-Q78 WeakPolarHBondContact O-CA 3.42Å; G37-W79 PolarHBondContact O-N 2.83Å |
| 38 | V | 86.6 | Confident | 84.6 | Confident | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.7 | -178.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | A34 K35 D36 I76 Q78 | A34-V38 WeakPolarHBondContact CB-O 3.47Å; K35-V38 PolarHBondContact O-N 3.5Å; D36-V38 HydrophobicContact CB-CG2 4.48Å; D36-V38 PolarHBondContact O-N 3.46Å; V38-I76 HydrophobicContact CG1-CG2 3.31Å; V38-Q78 HydrophobicContact CG2-CG 4.4Å |
| 39 | L | 88.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.5 | -177.9 | -173.4 | 71.3 | 0 | 0 | 0 | 111.7 | F27 L30 L31 A34 A44 I77 | F27-L39 HydrophobicContact CE1-CD2 4.24Å; F27-L39 HydrophobicContact CE2-CD2 4.23Å; F27-L39 HydrophobicContact CZ-CD2 3.97Å; L30-L39 HydrophobicContact CB-CD1 4.19Å; L30-L39 HydrophobicContact CB-CD2 4.47Å; L31-L39 HydrophobicContact CB-CD2 4.16Å; L31-L39 HydrophobicContact CD1-CB 3.55Å; L31-L39 HydrophobicContact CD1-CD2 3.9Å; L31-L39 HydrophobicContact CD1-CG 4.33Å; A34-L39 HydrophobicContact CB-CB 4.36Å; A34-L39 HydrophobicContact CB-CD1 4.18Å; L39-A44 HydrophobicContact CD2-CB 3.96Å; L39-A44 HydrophobicContact CG-CB 4.25Å; L39-I77 HydrophobicContact CB-CG1 4.09Å; L39-I77 HydrophobicContact CD2-CD1 4.47Å; L39-I77 PolarHBondContact N-O 2.92Å; L39-I77 PolarHBondContact O-N 3.05Å |
| 40 | D | 89.8 | Confident | 82.3 | Confident | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119 | 169.5 | -169 | -37.3 | 0 | 0 | 0 | 110.3 | K42 M43 A44 N75 | D40-K42 PolarHBondContact O-N 3.36Å; D40-K42 VanDerWaalsContact OD1-CB 3.28Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 PolarHBondContact OD1-N 3.4Å; D40-M43 HydrophobicContact CB-CB 4.36Å; D40-M43 HydrophobicContact CB-CE 4.18Å; D40-M43 HydrophobicContact CB-CG 4.26Å; D40-M43 PolarHBondContact O-N 2.93Å; D40-A44 PolarHBondContact O-N 3.46Å; D40-N75 CarbonylContact C-O 3.58Å; D40-N75 WeakPolarHBondContact CA-O 3.47Å |
| 41 | L | 88.5 | Confident | 80.9 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 13% | 0.126 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -27 | -179.8 | -65.1 | 179.1 | 0 | 0 | 0 | 113.2 | F27 A45 I56 T60 N75 I77 | F27-L41 HydrophobicContact CE2-CD2 4.19Å; F27-L41 HydrophobicContact CZ-CD2 4.05Å; L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.01Å; L41-I56 HydrophobicContact CD2-CG2 4.04Å; L41-T60 HydrophobicContact CD2-CG2 3.99Å; L41-N75 PolarHBondContact N-O 3.24Å; L41-I77 HydrophobicContact CD1-CG2 4.07Å; L41-I77 HydrophobicContact CD2-CD1 3.95Å; L41-I77 HydrophobicContact CD2-CG1 3.97Å; L41-I77 HydrophobicContact CD2-CG2 4.02Å; L41-I77 HydrophobicContact CG-CG2 4.18Å |
| 42 | K | 85.9 | Confident | 79.7 | Confident | 109 Ų | 109 | 77.5 Ų | 77.5 | 47% | 0.474 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.2 | -50.2 | 174.7 | -66.1 | -178.6 | 175.4 | -178.7 | 0 | 110.6 | D40 A44 A45 D46 | D40-K42 PolarHBondContact O-N 3.36Å; D40-K42 VanDerWaalsContact OD1-CB 3.28Å; D40-K42 WeakPolarHBondContact OD1-CB 3.4Å; D40-K42 PolarHBondContact OD1-N 3.4Å; K42-A44 VanDerWaalsContact C-N 3.29Å; K42-A44 PolarHBondContact O-N 2.9Å; K42-A45 PolarHBondContact O-N 3.11Å; K42-A45 VanDerWaalsContact O-N 3.16Å; K42-D46 PolarHBondContact O-N 3.11Å |
| 43 | M | 84.9 | Confident | 79.1 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 61% | 0.606 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 178 | -66.4 | -153.1 | -64.2 | 0 | 0 | 111.7 | D40 D46 S47 | D40-M43 HydrophobicContact CB-CB 4.36Å; D40-M43 HydrophobicContact CB-CE 4.18Å; D40-M43 HydrophobicContact CB-CG 4.26Å; D40-M43 PolarHBondContact O-N 2.93Å; M43-D46 PolarHBondContact O-N 2.82Å; M43-S47 WeakPolarHBondContact O-CB 3.33Å; M43-S47 PolarHBondContact O-N 3.49Å; M43-S47 PolarHBondContact O-OG 3.18Å |
| 44 | A | 86.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F27 L30 L39 D40 K42 D46 S47 L48 | F27-A44 HydrophobicContact CD2-CB 4.43Å; F27-A44 HydrophobicContact CE2-CB 4.17Å; L30-A44 HydrophobicContact CD1-CB 4.38Å; L39-A44 HydrophobicContact CD2-CB 3.96Å; L39-A44 HydrophobicContact CG-CB 4.25Å; D40-A44 PolarHBondContact O-N 3.46Å; K42-A44 VanDerWaalsContact C-N 3.29Å; K42-A44 PolarHBondContact O-N 2.9Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 3.19Å; A44-S47 PolarHBondContact O-N 3.07Å; A44-L48 HydrophobicContact CB-CD1 4.33Å; A44-L48 VanDerWaalsContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 VanDerWaalsContact O-CD1 3.25Å; A44-L48 WeakPolarHBondContact O-CD1 3.39Å; A44-L48 WeakPolarHBondContact O-CG 3.26Å; A44-L48 PolarHBondContact O-N 3.3Å |
| 45 | A | 84.5 | Confident | 79.3 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L41 K42 A49 I56 | L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.01Å; K42-A45 PolarHBondContact O-N 3.11Å; K42-A45 VanDerWaalsContact O-N 3.16Å; A45-A49 PolarHBondContact O-N 3.11Å; A45-I56 HydrophobicContact CB-CD1 4.49Å; A45-I56 HydrophobicContact CB-CG1 4.28Å |
| 46 | D | 83.7 | Confident | 79.9 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 176.7 | -64.6 | -23.1 | 0 | 0 | 0 | 110.9 | K42 M43 A44 L48 A49 | K42-D46 PolarHBondContact O-N 3.11Å; M43-D46 PolarHBondContact O-N 2.82Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 3.19Å; D46-L48 PolarHBondContact O-N 2.91Å; D46-A49 PolarHBondContact O-N 3.33Å; D46-A49 VanDerWaalsContact O-N 3.13Å |
| 47 | S | 82 | Confident | 80.7 | Confident | 76 Ų | 76 | 73 Ų | 73 | 53% | 0.531 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 179 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | M43 A44 A49 | M43-S47 WeakPolarHBondContact O-CB 3.33Å; M43-S47 PolarHBondContact O-N 3.49Å; M43-S47 PolarHBondContact O-OG 3.18Å; A44-S47 PolarHBondContact O-N 3.07Å; S47-A49 PolarHBondContact O-N 3.38Å |
| 48 | L | 77.6 | Confident | 81.1 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.8 | 176.4 | -76.6 | 149.7 | 0 | 0 | 0 | 112.6 | L23 K26 F27 L30 A44 D46 V50 I56 | L23-L48 HydrophobicContact CB-CD2 4.31Å; L23-L48 HydrophobicContact CD2-CD2 3.98Å; L23-L48 VanDerWaalsContact O-CD2 3.26Å; L23-L48 WeakPolarHBondContact O-CD2 3.37Å; K26-L48 HydrophobicContact CB-CD2 3.5Å; K26-L48 HydrophobicContact CD-CD2 4.42Å; F27-L48 HydrophobicContact CB-CD1 4.02Å; F27-L48 HydrophobicContact CB-CD2 4.41Å; F27-L48 HydrophobicContact CD2-CD1 3.57Å; F27-L48 HydrophobicContact CG-CD1 4.28Å; L30-L48 HydrophobicContact CD1-CD1 4.33Å; L30-L48 HydrophobicContact CD1-CG 4.25Å; A44-L48 HydrophobicContact CB-CD1 4.33Å; A44-L48 VanDerWaalsContact O-CB 3.31Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 VanDerWaalsContact O-CD1 3.25Å; A44-L48 WeakPolarHBondContact O-CD1 3.39Å; A44-L48 WeakPolarHBondContact O-CG 3.26Å; A44-L48 PolarHBondContact O-N 3.3Å; D46-L48 PolarHBondContact O-N 2.91Å; L48-V50 HydrophobicContact CB-CG2 3.38Å; L48-V50 WeakPolarHBondContact O-CG2 3.05Å; L48-V50 PolarHBondContact O-N 3Å; L48-I56 HydrophobicContact CD1-CD1 3.68Å |
| 49 | A | 67.9 | Low | 81.4 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 69% | 0.694 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 30.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A45 D46 S47 K51 | A45-A49 PolarHBondContact O-N 3.11Å; D46-A49 PolarHBondContact O-N 3.33Å; D46-A49 VanDerWaalsContact O-N 3.13Å; S47-A49 PolarHBondContact O-N 3.38Å; A49-K51 PolarHBondContact O-N 3.37Å; A49-K51 VanDerWaalsContact O-N 3.14Å |
| 50 | V | 63.3 | Low | 81.5 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | trans | -81.2 | 104.3 | -174.2 | -157.5 | 0 | 0 | 0 | 0 | 108 | L23 L48 Q52 R55 | L23-V50 HydrophobicContact CD1-CG1 4.49Å; L23-V50 HydrophobicContact CD2-CG2 3.98Å; L48-V50 HydrophobicContact CB-CG2 3.38Å; L48-V50 WeakPolarHBondContact O-CG2 3.05Å; L48-V50 PolarHBondContact O-N 3Å; V50-Q52 WeakPolarHBondContact CG1-O 3.37Å; V50-Q52 PolarHBondContact O-N 3.2Å; V50-R55 HydrophobicContact CG1-CB 4.18Å; V50-R55 HydrophobicContact CG1-CG 4.15Å | ||
| 51 | K | 58.6 | Low | 81.7 | Confident | 215 Ų | 215 | 73.7 Ų | 73.7 | 94% | 0.935 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -56.1 | -13.9 | 171.1 | -70.1 | -173.5 | 176.4 | -175.4 | 0 | 113.4 | A49 | A49-K51 PolarHBondContact O-N 3.37Å; A49-K51 VanDerWaalsContact O-N 3.14Å |
| 52 | Q | 61.8 | Low | 81.9 | Confident | 126 Ų | 126 | 77.1 Ų | 77.1 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | trans | -127.5 | 109.1 | -178.1 | -72.6 | 167.6 | 0.4 | 0 | 0 | 111.1 | V50 R54 R55 | V50-Q52 WeakPolarHBondContact CG1-O 3.37Å; V50-Q52 PolarHBondContact O-N 3.2Å; Q52-R54 PolarHBondContact O-N 3.42Å; Q52-R55 PolarHBondContact O-N 3.43Å | ||
| 53 | K | 73.1 | Confident | 82.2 | Confident | 135 Ų | 135 | 72.9 Ų | 72.9 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -7 | 175 | -68.3 | -163.1 | 173.3 | -171 | 0 | 114.8 | R55 Y57 | K53-R55 PolarHBondContact O-N 3.29Å; K53-Y57 VanDerWaalsContact O-CD2 3.28Å; K53-Y57 WeakPolarHBondContact O-CD2 3.28Å; K53-Y57 VanDerWaalsContact O-CE2 3.28Å; K53-Y57 WeakPolarHBondContact O-CE2 3.28Å |
| 54 | R | 84.9 | Confident | 82.5 | Confident | 121 Ų | 121 | 71.7 Ų | 71.7 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 179.8 | -177.8 | 63.2 | -169.4 | 77.7 | 7.4 | 113.5 | Q52 Y57 D58 | Q52-R54 PolarHBondContact O-N 3.42Å; R54-Y57 PolarHBondContact O-N 3.48Å; R54-D58 IonicContact CZ-OD1 3.14Å; R54-D58 IonicContact CZ-OD2 3.07Å; R54-D58 IonicContact NH1-OD1 2.74Å; R54-D58 PolarHBondContact NH1-OD1 3.23Å; R54-D58 IonicContact NH1-OD2 3.94Å; R54-D58 PolarHBondContact NH1-OD2 3.13Å; R54-D58 VanDerWaalsContact NH1-OD2 3.07Å; R54-D58 IonicContact NH2-OD1 2.73Å; R54-D58 PolarHBondContact NH2-OD1 3.19Å; R54-D58 IonicContact NH2-OD2 3.46Å; R54-D58 PolarHBondContact O-N 3.49Å |
| 55 | R | 86.6 | Confident | 82.7 | Confident | 80 Ų | 80 | 75 Ų | 75 | 30% | 0.302 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.7 | -27.4 | -173.3 | -60 | -70.3 | 80.4 | 114.7 | -7.4 | 113.6 | L20 L23 V50 Q52 K53 Y57 D58 I59 | L20-R55 HydrophobicContact CD1-CB 4.35Å; L23-R55 HydrophobicContact CD1-CB 3.77Å; L23-R55 HydrophobicContact CD1-CG 3.82Å; V50-R55 HydrophobicContact CG1-CB 4.18Å; V50-R55 HydrophobicContact CG1-CG 4.15Å; Q52-R55 PolarHBondContact O-N 3.43Å; K53-R55 PolarHBondContact O-N 3.29Å; R55-Y57 VanDerWaalsContact C-N 3.29Å; R55-Y57 PolarHBondContact O-N 2.86Å; R55-D58 IonicContact CZ-OD2 2.73Å; R55-D58 IonicContact NE-OD2 3.88Å; R55-D58 PolarHBondContact NE-OD2 3.42Å; R55-D58 IonicContact NH2-OD2 3.64Å; R55-D58 PolarHBondContact NH2-OD2 2.89Å; R55-D58 PolarHBondContact O-N 2.81Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 2.86Å; R55-I59 VanDerWaalsContact O-N 3.17Å |
| 56 | I | 88 | Confident | 82.9 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 5% | 0.051 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.4 | -60.5 | -62.8 | 0 | 0 | 0 | 109.9 | F27 L41 A45 L48 D58 I59 T60 | F27-I56 HydrophobicContact CD2-CD1 4.12Å; F27-I56 HydrophobicContact CE2-CD1 4.19Å; F27-I56 HydrophobicContact CE2-CG2 4.37Å; L41-I56 HydrophobicContact CD2-CG2 4.04Å; A45-I56 HydrophobicContact CB-CD1 4.49Å; A45-I56 HydrophobicContact CB-CG1 4.28Å; L48-I56 HydrophobicContact CD1-CD1 3.68Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 2.89Å; I56-I59 PolarHBondContact O-N 3.23Å; I56-T60 HydrophobicContact CG2-CG2 4.07Å; I56-T60 WeakPolarHBondContact O-CG2 3.4Å; I56-T60 PolarHBondContact O-N 2.88Å; I56-T60 PolarHBondContact O-OG1 3.45Å |
| 57 | Y | 90 | Very high | 83.2 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 48% | 0.478 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 178.3 | -53.2 | -59.5 | 0 | 0 | 0 | 113.3 | K53 R54 R55 I59 T60 N61 | K53-Y57 VanDerWaalsContact O-CD2 3.28Å; K53-Y57 WeakPolarHBondContact O-CD2 3.28Å; K53-Y57 VanDerWaalsContact O-CE2 3.28Å; K53-Y57 WeakPolarHBondContact O-CE2 3.28Å; R54-Y57 PolarHBondContact O-N 3.48Å; R55-Y57 VanDerWaalsContact C-N 3.29Å; R55-Y57 PolarHBondContact O-N 2.86Å; Y57-I59 VanDerWaalsContact C-N 3.3Å; Y57-I59 PolarHBondContact O-N 3.46Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.34Å; Y57-T60 PolarHBondContact O-OG1 2.91Å; Y57-N61 WeakPolarHBondContact O-CB 3.44Å; Y57-N61 PolarHBondContact O-N 3.32Å; Y57-N61 PolarHBondContact O-ND2 3.1Å; Y57-N61 PolarHBondContact O-OD1 3.32Å |
| 58 | D | 90.9 | Very high | 83.5 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 17% | 0.171 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 174.3 | -68 | -44.1 | 0 | 0 | 0 | 110.8 | L20 R54 R55 I56 V62 | L20-D58 HydrophobicContact CD1-CB 3.97Å; L20-D58 HydrophobicContact CD2-CB 4.28Å; R54-D58 IonicContact CZ-OD1 3.14Å; R54-D58 IonicContact CZ-OD2 3.07Å; R54-D58 IonicContact NH1-OD1 2.74Å; R54-D58 PolarHBondContact NH1-OD1 3.23Å; R54-D58 IonicContact NH1-OD2 3.94Å; R54-D58 PolarHBondContact NH1-OD2 3.13Å; R54-D58 VanDerWaalsContact NH1-OD2 3.07Å; R54-D58 IonicContact NH2-OD1 2.73Å; R54-D58 PolarHBondContact NH2-OD1 3.19Å; R54-D58 IonicContact NH2-OD2 3.46Å; R54-D58 PolarHBondContact O-N 3.49Å; R55-D58 IonicContact CZ-OD2 2.73Å; R55-D58 IonicContact NE-OD2 3.88Å; R55-D58 PolarHBondContact NE-OD2 3.42Å; R55-D58 IonicContact NH2-OD2 3.64Å; R55-D58 PolarHBondContact NH2-OD2 2.89Å; R55-D58 PolarHBondContact O-N 2.81Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-D58 PolarHBondContact O-N 2.89Å; D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.17Å; D58-V62 PolarHBondContact O-N 3.41Å |
| 59 | I | 91.6 | Very high | 84.1 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.6 | -50.7 | 179.9 | -62.8 | 167 | 0 | 0 | 0 | 110.2 | L20 L23 T24 F27 R55 I56 Y57 N61 V62 L63 | L20-I59 HydrophobicContact CD1-CD1 4.32Å; L20-I59 HydrophobicContact CD1-CG1 3.91Å; L23-I59 HydrophobicContact CB-CD1 3.97Å; T24-I59 HydrophobicContact CG2-CG2 4.42Å; F27-I59 HydrophobicContact CB-CD1 4.31Å; F27-I59 HydrophobicContact CB-CG2 4.37Å; F27-I59 HydrophobicContact CD1-CG2 3.79Å; F27-I59 HydrophobicContact CD2-CG2 4.48Å; F27-I59 HydrophobicContact CE1-CG2 4.17Å; F27-I59 HydrophobicContact CG-CG2 3.97Å; R55-I59 WeakPolarHBondContact O-CG1 3.45Å; R55-I59 PolarHBondContact O-N 2.86Å; R55-I59 VanDerWaalsContact O-N 3.17Å; I56-I59 PolarHBondContact O-N 3.23Å; Y57-I59 VanDerWaalsContact C-N 3.3Å; Y57-I59 PolarHBondContact O-N 3.46Å; I59-N61 PolarHBondContact O-N 3.39Å; I59-V62 PolarHBondContact O-N 3.47Å; I59-L63 HydrophobicContact CG2-CD1 3.74Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CG 3.43Å; I59-L63 PolarHBondContact O-N 2.79Å |
| 60 | T | 91.8 | Very high | 85.1 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | -176.7 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | F27 L41 I56 Y57 V62 L63 E64 I69 | F27-T60 HydrophobicContact CZ-CG2 4.02Å; L41-T60 HydrophobicContact CD2-CG2 3.99Å; I56-T60 HydrophobicContact CG2-CG2 4.07Å; I56-T60 WeakPolarHBondContact O-CG2 3.4Å; I56-T60 PolarHBondContact O-N 2.88Å; I56-T60 PolarHBondContact O-OG1 3.45Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.34Å; Y57-T60 PolarHBondContact O-OG1 2.91Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 3.39Å; T60-L63 PolarHBondContact O-N 2.78Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 PolarHBondContact O-N 2.83Å; T60-I69 HydrophobicContact CG2-CD1 4.2Å |
| 61 | N | 93.4 | Very high | 86.4 | Confident | 92 Ų | 92 | 77.6 Ų | 77.6 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | -179.7 | -68.1 | -0.4 | 0 | 0 | 0 | 111.9 | Y57 I59 G65 | Y57-N61 WeakPolarHBondContact O-CB 3.44Å; Y57-N61 PolarHBondContact O-N 3.32Å; Y57-N61 PolarHBondContact O-ND2 3.1Å; Y57-N61 PolarHBondContact O-OD1 3.32Å; I59-N61 PolarHBondContact O-N 3.39Å; N61-G65 PolarHBondContact O-N 3.34Å |
| 62 | V | 93.4 | Very high | 87.8 | Confident | 97 Ų | 97 | 73 Ų | 73 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.8 | -48.1 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | D58 I59 T60 E64 G65 V66 | D58-V62 VanDerWaalsContact O-CG2 3.29Å; D58-V62 WeakPolarHBondContact O-CG2 3.17Å; D58-V62 PolarHBondContact O-N 3.41Å; I59-V62 PolarHBondContact O-N 3.47Å; T60-V62 VanDerWaalsContact C-N 3.31Å; T60-V62 PolarHBondContact O-N 3.39Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 2.96Å; V62-G65 PolarHBondContact O-N 3.2Å; V62-V66 HydrophobicContact CG1-CG2 4.49Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 3.38Å |
| 63 | L | 91.5 | Very high | 89 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 179.6 | -67.5 | 179 | 0 | 0 | 0 | 112.6 | F27 I59 T60 G67 L68 I69 | F27-L63 HydrophobicContact CD1-CD1 4.2Å; F27-L63 HydrophobicContact CE1-CD1 4.08Å; I59-L63 HydrophobicContact CG2-CD1 3.74Å; I59-L63 HydrophobicContact CG2-CG 4.28Å; I59-L63 WeakPolarHBondContact O-CG 3.43Å; I59-L63 PolarHBondContact O-N 2.79Å; T60-L63 PolarHBondContact O-N 2.78Å; L63-G67 PolarHBondContact O-N 3.2Å; L63-G67 VanDerWaalsContact O-N 3.1Å; L63-L68 HydrophobicContact CD2-CD1 3.95Å; L63-L68 PolarHBondContact O-N 3.17Å; L63-I69 HydrophobicContact CB-CD1 3.7Å; L63-I69 HydrophobicContact CB-CG1 3.68Å; L63-I69 HydrophobicContact CB-CG2 4.25Å; L63-I69 HydrophobicContact CD1-CG2 4.43Å; L63-I69 PolarHBondContact O-N 2.64Å |
| 64 | E | 91.3 | Very high | 89.6 | Confident | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | 173.8 | -177.8 | 175.8 | -175.1 | 0 | 0 | 110.7 | T60 V62 V66 G67 I69 | T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 PolarHBondContact O-N 2.83Å; V62-E64 VanDerWaalsContact C-N 3.3Å; V62-E64 PolarHBondContact O-N 2.96Å; E64-V66 VanDerWaalsContact C-N 3.28Å; E64-V66 PolarHBondContact O-N 3.47Å; E64-G67 WeakPolarHBondContact O-CA 3.24Å; E64-G67 PolarHBondContact O-N 3.42Å; E64-I69 HydrophobicContact CB-CD1 4.46Å; E64-I69 HydrophobicContact CB-CG1 4.11Å |
| 65 | G | 90.4 | Very high | 89.7 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 72% | 0.722 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63 | -32.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N61 V62 G67 | N61-G65 PolarHBondContact O-N 3.34Å; V62-G65 PolarHBondContact O-N 3.2Å; G65-G67 VanDerWaalsContact C-N 3.33Å |
| 66 | V | 90.2 | Very high | 89.9 | Confident | 101 Ų | 101 | 68.9 Ų | 68.9 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -79.4 | -18.8 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | V62 E64 L68 | V62-V66 HydrophobicContact CG1-CG2 4.49Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.34Å; V62-V66 PolarHBondContact O-N 3.38Å; E64-V66 VanDerWaalsContact C-N 3.28Å; E64-V66 PolarHBondContact O-N 3.47Å; V66-L68 HydrophobicContact CB-CG 4.35Å; V66-L68 HydrophobicContact CG1-CD1 4.1Å; V66-L68 HydrophobicContact CG1-CG 3.89Å |
| 67 | G | 88.8 | Confident | 90 | Very high | 33 Ų | 33 | 68.6 Ų | 68.6 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 20 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L63 E64 G65 R80 | L63-G67 PolarHBondContact O-N 3.2Å; L63-G67 VanDerWaalsContact O-N 3.1Å; E64-G67 WeakPolarHBondContact O-CA 3.24Å; E64-G67 PolarHBondContact O-N 3.42Å; G65-G67 VanDerWaalsContact C-N 3.33Å; G67-R80 WeakPolarHBondContact O-CD 3.25Å |
| 68 | L | 88.8 | Confident | 90 | Very high | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -81.4 | -25.8 | 176.5 | -64.3 | 177.1 | 0 | 0 | 0 | 112.8 | L63 V66 W79 R80 | L63-L68 HydrophobicContact CD2-CD1 3.95Å; L63-L68 PolarHBondContact O-N 3.17Å; V66-L68 HydrophobicContact CB-CG 4.35Å; V66-L68 HydrophobicContact CG1-CD1 4.1Å; V66-L68 HydrophobicContact CG1-CG 3.89Å; L68-W79 HydrophobicContact CB-CE3 4.24Å; L68-W79 HydrophobicContact CB-CH2 4.13Å; L68-W79 HydrophobicContact CB-CZ3 3.72Å; L68-W79 HydrophobicContact CD1-CH2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 4.4Å; L68-R80 PolarHBondContact O-N 3.5Å |
| 69 | I | 89.9 | Confident | 90 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.2 | 175.1 | 62.8 | 172.8 | 0 | 0 | 0 | 110.9 | L31 T60 L63 E64 I77 Q78 W79 | L31-I69 HydrophobicContact CD2-CG2 3.86Å; T60-I69 HydrophobicContact CG2-CD1 4.2Å; L63-I69 HydrophobicContact CB-CD1 3.7Å; L63-I69 HydrophobicContact CB-CG1 3.68Å; L63-I69 HydrophobicContact CB-CG2 4.25Å; L63-I69 HydrophobicContact CD1-CG2 4.43Å; L63-I69 PolarHBondContact O-N 2.64Å; E64-I69 HydrophobicContact CB-CD1 4.46Å; E64-I69 HydrophobicContact CB-CG1 4.11Å; I69-I77 HydrophobicContact CD1-CD1 3.99Å; I69-I77 HydrophobicContact CG2-CD1 4.31Å; I69-Q78 CarbonylContact C-O 3.55Å; I69-Q78 VanDerWaalsContact CA-O 3.25Å; I69-Q78 WeakPolarHBondContact CA-O 3.41Å; I69-W79 HydrophobicContact CG2-CE3 3.57Å; I69-W79 HydrophobicContact CG2-CZ3 4.11Å |
| 70 | E | 89.7 | Confident | 89.5 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.5 | 167.4 | 63.4 | -178.1 | -159.1 | 0 | 0 | 111.4 | I77 Q78 R80 | E70-I77 CarbonylContact O-C 3.53Å; E70-I77 WeakPolarHBondContact O-CA 3.5Å; E70-Q78 HydrophobicContact CG-CB 3.83Å; E70-Q78 HydrophobicContact CG-CG 4.49Å; E70-Q78 PolarHBondContact N-O 3.41Å; E70-Q78 PolarHBondContact O-N 3.07Å; E70-Q78 PolarHBondContact OE1-OE1 3.28Å; E70-R80 HydrophobicContact CB-CG 4.49Å; E70-R80 HydrophobicContact CG-CG 4.26Å; E70-R80 IonicContact OE2-CZ 3.27Å; E70-R80 VanDerWaalsContact OE2-CZ 3.27Å; E70-R80 IonicContact OE2-NE 2.88Å; E70-R80 PolarHBondContact OE2-NE 3.19Å; E70-R80 IonicContact OE2-NH2 2.79Å; E70-R80 PolarHBondContact OE2-NH2 2.91Å |
| 71 | K | 90.1 | Very high | 88.4 | Confident | 131 Ų | 131 | 73.1 Ų | 73.1 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.8 | 178.4 | -168.9 | 176.5 | -176.2 | 178.2 | 0 | 109.7 | N73 | K71-N73 WeakPolarHBondContact CG-O 3.32Å |
| 72 | K | 87 | Confident | 86.8 | Confident | 119 Ų | 119 | 71 Ų | 71 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -57.5 | 169.5 | -82 | -82.3 | -178.1 | 175.9 | 0 | 110.1 | I76 Q78 | K72-I76 HydrophobicContact CB-CB 4.32Å; K72-I76 HydrophobicContact CB-CG2 4.02Å; K72-I76 PolarHBondContact N-O 2.73Å; K72-Q78 HydrophobicContact CG-CB 4.15Å |
| 73 | N | 88.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 73 Ų | 73 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 173.5 | -177.3 | -65 | 36.9 | 0 | 0 | 0 | 110.2 | K71 N75 I76 | K71-N73 WeakPolarHBondContact CG-O 3.32Å; N73-N75 PolarHBondContact O-N 3.37Å; N73-I76 HydrophobicContact CB-CB 4.17Å; N73-I76 HydrophobicContact CB-CG1 4.48Å; N73-I76 PolarHBondContact N-O 2.74Å; N73-I76 PolarHBondContact O-N 2.73Å; N73-I76 VanDerWaalsContact O-N 3.11Å |
| 74 | K | 84.9 | Confident | 82.9 | Confident | 170 Ų | 170 | 78.7 Ų | 78.7 | 74% | 0.739 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -27.1 | 179.7 | 68.8 | 178.5 | 178 | -174.1 | 0 | 115 | ||
| 75 | N | 87.6 | Confident | 81 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 27% | 0.267 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 2.8 | 179.1 | -56.6 | -47.3 | 0 | 0 | 0 | 113.1 | D40 L41 N73 | D40-N75 CarbonylContact C-O 3.58Å; D40-N75 WeakPolarHBondContact CA-O 3.47Å; L41-N75 PolarHBondContact N-O 3.24Å; N73-N75 PolarHBondContact O-N 3.37Å |
| 76 | I | 89.3 | Confident | 79.5 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 28% | 0.277 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.4 | -173.6 | -59.5 | -171.9 | 0 | 0 | 0 | 108.9 | V38 K72 N73 | V38-I76 HydrophobicContact CG1-CG2 3.31Å; K72-I76 HydrophobicContact CB-CB 4.32Å; K72-I76 HydrophobicContact CB-CG2 4.02Å; K72-I76 PolarHBondContact N-O 2.73Å; N73-I76 HydrophobicContact CB-CB 4.17Å; N73-I76 HydrophobicContact CB-CG1 4.48Å; N73-I76 PolarHBondContact N-O 2.74Å; N73-I76 PolarHBondContact O-N 2.73Å; N73-I76 VanDerWaalsContact O-N 3.11Å |
| 77 | I | 90.9 | Very high | 78.2 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.3 | 172.1 | 61.4 | 163.2 | 0 | 0 | 0 | 109.7 | F27 L31 L39 L41 I69 E70 | F27-I77 HydrophobicContact CE1-CD1 3.83Å; F27-I77 HydrophobicContact CZ-CD1 3.52Å; L31-I77 HydrophobicContact CD1-CD1 4.24Å; L39-I77 HydrophobicContact CB-CG1 4.09Å; L39-I77 HydrophobicContact CD2-CD1 4.47Å; L39-I77 PolarHBondContact N-O 2.92Å; L39-I77 PolarHBondContact O-N 3.05Å; L41-I77 HydrophobicContact CD1-CG2 4.07Å; L41-I77 HydrophobicContact CD2-CD1 3.95Å; L41-I77 HydrophobicContact CD2-CG1 3.97Å; L41-I77 HydrophobicContact CD2-CG2 4.02Å; L41-I77 HydrophobicContact CG-CG2 4.18Å; I69-I77 HydrophobicContact CD1-CD1 3.99Å; I69-I77 HydrophobicContact CG2-CD1 4.31Å; E70-I77 CarbonylContact O-C 3.53Å; E70-I77 WeakPolarHBondContact O-CA 3.5Å |
| 78 | Q | 89.8 | Confident | 77.3 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 19% | 0.192 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.1 | 175.4 | -178.7 | 170 | 5.3 | 0 | 0 | 109.7 | G37 V38 I69 E70 K72 | G37-Q78 CarbonylContact O-C 3.52Å; G37-Q78 WeakPolarHBondContact O-CA 3.42Å; V38-Q78 HydrophobicContact CG2-CG 4.4Å; I69-Q78 CarbonylContact C-O 3.55Å; I69-Q78 VanDerWaalsContact CA-O 3.25Å; I69-Q78 WeakPolarHBondContact CA-O 3.41Å; E70-Q78 HydrophobicContact CG-CB 3.83Å; E70-Q78 HydrophobicContact CG-CG 4.49Å; E70-Q78 PolarHBondContact N-O 3.41Å; E70-Q78 PolarHBondContact O-N 3.07Å; E70-Q78 PolarHBondContact OE1-OE1 3.28Å; K72-Q78 HydrophobicContact CG-CB 4.15Å |
| 79 | W | 90.2 | Very high | 76.7 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117 | 173.4 | -177.7 | -117.5 | 0 | 0 | 0 | 109.6 | L31 G37 L68 I69 G81 Q82 | L31-W79 HydrophobicContact CD1-CB 3.88Å; L31-W79 HydrophobicContact CD2-CB 4.22Å; L31-W79 HydrophobicContact CD2-CD2 3.82Å; L31-W79 HydrophobicContact CD2-CE3 3.16Å; L31-W79 HydrophobicContact CD2-CG 4.28Å; L31-W79 HydrophobicContact CD2-CZ3 3.64Å; L31-W79 HydrophobicContact CG-CB 3.84Å; L31-W79 HydrophobicContact CG-CD2 4.1Å; L31-W79 HydrophobicContact CG-CE3 3.95Å; L31-W79 HydrophobicContact CG-CG 4.11Å; G37-W79 PolarHBondContact O-N 2.83Å; L68-W79 HydrophobicContact CB-CE3 4.24Å; L68-W79 HydrophobicContact CB-CH2 4.13Å; L68-W79 HydrophobicContact CB-CZ3 3.72Å; L68-W79 HydrophobicContact CD1-CH2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 4.4Å; I69-W79 HydrophobicContact CG2-CE3 3.57Å; I69-W79 HydrophobicContact CG2-CZ3 4.11Å; W79-G81 VanDerWaalsContact CD1-C 3.41Å; W79-G81 VanDerWaalsContact NE1-C 3.32Å; W79-G81 PolarHBondContact O-N 2.99Å; W79-Q82 VanDerWaalsContact CD1-OE1 3.3Å |
| 80 | R | 82.3 | Confident | 76.2 | Confident | 144 Ų | 144 | 89.4 Ų | 89.4 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.9 | 178 | -71 | -173.8 | 163.4 | -169.1 | 0.2 | 112.4 | G67 L68 E70 Q82 | G67-R80 WeakPolarHBondContact O-CD 3.25Å; L68-R80 PolarHBondContact O-N 3.5Å; E70-R80 HydrophobicContact CB-CG 4.49Å; E70-R80 HydrophobicContact CG-CG 4.26Å; E70-R80 IonicContact OE2-CZ 3.27Å; E70-R80 VanDerWaalsContact OE2-CZ 3.27Å; E70-R80 IonicContact OE2-NE 2.88Å; E70-R80 PolarHBondContact OE2-NE 3.19Å; E70-R80 IonicContact OE2-NH2 2.79Å; E70-R80 PolarHBondContact OE2-NH2 2.91Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 2.9Å |
| 81 | G | 68.9 | Low | 75.8 | Confident | 44 Ų | 44 | 91.1 Ų | 91.1 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -7.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | W79 | W79-G81 VanDerWaalsContact CD1-C 3.41Å; W79-G81 VanDerWaalsContact NE1-C 3.32Å; W79-G81 PolarHBondContact O-N 2.99Å |
| 82 | Q | 59.3 | Low | 75.5 | Confident | 47 Ų | 47 | 88.4 Ų | 88.4 | 22% | 0.22 | 47% | 0.467 | C | S | . | . | trans | -108.8 | 59.7 | 171.9 | -85 | 165.3 | -65.6 | 0 | 0 | 110.1 | L31 Q32 W79 R80 N84 | L31-Q82 PolarHBondContact O-OE1 2.94Å; L31-Q82 VanDerWaalsContact O-OE1 3.11Å; Q32-Q82 PolarHBondContact O-NE2 3.38Å; W79-Q82 VanDerWaalsContact CD1-OE1 3.3Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-Q82 PolarHBondContact O-N 2.9Å; Q82-N84 PolarHBondContact O-N 3.43Å; Q82-N84 VanDerWaalsContact O-N 3.11Å | ||
| 83 | N | 52.7 | Low | 75.6 | Confident | 141 Ų | 141 | 87.7 Ų | 87.7 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 40.7 | 142.3 | -91.1 | -7.1 | 0 | 0 | 0 | 110.8 | ||
| 84 | N | 50.6 | Low | 75.8 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 74% | 0.738 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 6.1 | 168.9 | -65.6 | 8.6 | 0 | 0 | 0 | 111 | Q82 S86 | Q82-N84 PolarHBondContact O-N 3.43Å; Q82-N84 VanDerWaalsContact O-N 3.11Å; N84-S86 PolarHBondContact O-N 3.08Å; N84-S86 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 51.6 | Low | 76.1 | Confident | 43 Ų | 43 | 83 Ų | 83 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -59.7 | 113.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||
| 86 | S | 58.5 | Low | 76.4 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 72% | 0.72 | 46% | 0.462 | S | S | * | . | trans | -29 | 124.4 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | N84 S88 | N84-S86 PolarHBondContact O-N 3.08Å; N84-S86 VanDerWaalsContact O-N 3.11Å; S86-S88 PolarHBondContact O-N 3.15Å; S86-S88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | P | 62.5 | Low | 76.7 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 40% | 0.403 | 47% | 0.474 | S | S | . | . | trans | -50.3 | 130.8 | 179.8 | -18.3 | 26.7 | 0 | 0 | 0 | 107.5 | M91 L92 | P87-M91 HydrophobicContact CB-CB 4.25Å; P87-M91 HydrophobicContact CB-CG 4.19Å; P87-L92 HydrophobicContact CB-CD2 3.67Å; P87-L92 HydrophobicContact CB-CG 3.88Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.49Å | ||
| 88 | S | 70.5 | Confident | 76.9 | Confident | 68 Ų | 68 | 95.2 Ų | 95.2 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | trans | -51.3 | 150.3 | -178.5 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | S86 E90 M91 L92 | S86-S88 PolarHBondContact O-N 3.15Å; S86-S88 VanDerWaalsContact O-N 3.12Å; S88-E90 PolarHBondContact O-N 3.33Å; S88-E90 VanDerWaalsContact O-N 3.09Å; S88-M91 WeakPolarHBondContact O-CA 3.43Å; S88-M91 WeakPolarHBondContact O-CB 3.11Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 WeakPolarHBondContact OG-CB 3.16Å; S88-M91 PolarHBondContact OG-N 2.82Å; S88-L92 PolarHBondContact O-N 2.9Å | ||
| 89 | Q | 75.8 | Confident | 77.2 | Confident | 174 Ų | 174 | 100 Ų | 100 | 81% | 0.813 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -53 | -35.9 | 179.3 | -78.8 | -174.8 | -67.4 | 0 | 0 | 111.8 | L92 E93 | Q89-L92 PolarHBondContact O-N 2.98Å; Q89-E93 WeakPolarHBondContact O-CB 3.29Å; Q89-E93 PolarHBondContact O-N 3.29Å |
| 90 | E | 78.8 | Confident | 77.5 | Confident | 152 Ų | 152 | 101.2 Ų | 101.2 | 71% | 0.71 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 173.1 | -65.5 | 179.4 | 171.3 | 0 | 0 | 112.7 | S88 E93 Q94 | S88-E90 PolarHBondContact O-N 3.33Å; S88-E90 VanDerWaalsContact O-N 3.09Å; E90-E93 PolarHBondContact O-N 3.04Å; E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 2.91Å |
| 91 | M | 81.7 | Confident | 78.2 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66 | -39 | 176.9 | -172.1 | 67.5 | 178.5 | 0 | 0 | 111.6 | P87 S88 E93 Q94 I95 | P87-M91 HydrophobicContact CB-CB 4.25Å; P87-M91 HydrophobicContact CB-CG 4.19Å; S88-M91 WeakPolarHBondContact O-CA 3.43Å; S88-M91 WeakPolarHBondContact O-CB 3.11Å; S88-M91 PolarHBondContact O-N 3.42Å; S88-M91 WeakPolarHBondContact OG-CB 3.16Å; S88-M91 PolarHBondContact OG-N 2.82Å; M91-E93 VanDerWaalsContact C-N 3.33Å; M91-Q94 PolarHBondContact O-N 2.92Å; M91-I95 HydrophobicContact CE-CD1 4.46Å; M91-I95 HydrophobicContact CG-CD1 4.13Å; M91-I95 WeakPolarHBondContact O-CB 3.38Å; M91-I95 WeakPolarHBondContact O-CD1 3.37Å; M91-I95 WeakPolarHBondContact O-CG1 3.25Å; M91-I95 PolarHBondContact O-N 2.93Å |
| 92 | L | 84.3 | Confident | 79.5 | Confident | 75 Ų | 75 | 101 Ų | 101 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.4 | -69.8 | 175.7 | 0 | 0 | 0 | 111.6 | P87 S88 Q89 I95 R96 | P87-L92 HydrophobicContact CB-CD2 3.67Å; P87-L92 HydrophobicContact CB-CG 3.88Å; P87-L92 HydrophobicContact CG-CD2 3.83Å; P87-L92 HydrophobicContact CG-CG 4.49Å; S88-L92 PolarHBondContact O-N 2.9Å; Q89-L92 PolarHBondContact O-N 2.98Å; L92-I95 PolarHBondContact O-N 3.1Å; L92-R96 WeakPolarHBondContact O-CG 3.26Å; L92-R96 PolarHBondContact O-N 3.36Å |
| 93 | E | 89.9 | Confident | 81.3 | Confident | 103 Ų | 103 | 101 Ų | 101 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 178 | -169.4 | 57.5 | -155.9 | 0 | 0 | 111.4 | Q89 E90 M91 I95 R96 V97 | Q89-E93 WeakPolarHBondContact O-CB 3.29Å; Q89-E93 PolarHBondContact O-N 3.29Å; E90-E93 PolarHBondContact O-N 3.04Å; M91-E93 VanDerWaalsContact C-N 3.33Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 3.43Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.19Å; E93-V97 WeakPolarHBondContact O-CG2 3.34Å; E93-V97 PolarHBondContact O-N 3.17Å |
| 94 | Q | 92.2 | Very high | 83.5 | Confident | 114 Ų | 114 | 99.4 Ų | 99.4 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.1 | -74 | 177.8 | -5.1 | 0 | 0 | 111.9 | E90 M91 R96 V97 L98 | E90-Q94 WeakPolarHBondContact O-CG 3.4Å; E90-Q94 PolarHBondContact O-N 2.91Å; M91-Q94 PolarHBondContact O-N 2.92Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.37Å; Q94-V97 PolarHBondContact O-N 3.23Å; Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 VanDerWaalsContact O-CG 3.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.37Å |
| 95 | I | 90.3 | Very high | 85.7 | Confident | 60 Ų | 60 | 96.6 Ų | 96.6 | 31% | 0.308 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.2 | -71.2 | 164 | 0 | 0 | 0 | 111 | M91 L92 E93 K99 | M91-I95 HydrophobicContact CE-CD1 4.46Å; M91-I95 HydrophobicContact CG-CD1 4.13Å; M91-I95 WeakPolarHBondContact O-CB 3.38Å; M91-I95 WeakPolarHBondContact O-CD1 3.37Å; M91-I95 WeakPolarHBondContact O-CG1 3.25Å; M91-I95 PolarHBondContact O-N 2.93Å; L92-I95 PolarHBondContact O-N 3.1Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 3.43Å; I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 VanDerWaalsContact O-CG 3.25Å; I95-K99 WeakPolarHBondContact O-CG 3.35Å; I95-K99 PolarHBondContact O-N 3.29Å |
| 96 | R | 94.1 | Very high | 87.9 | Confident | 170 Ų | 170 | 100.3 Ų | 100.3 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -48.3 | 177.2 | -74.1 | 175.3 | -175.5 | -150.4 | 1.5 | 111.6 | L92 E93 Q94 L98 K99 A100 | L92-R96 WeakPolarHBondContact O-CG 3.26Å; L92-R96 PolarHBondContact O-N 3.36Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.19Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 3.37Å; R96-L98 PolarHBondContact O-N 3.34Å; R96-K99 PolarHBondContact O-N 3.12Å; R96-A100 PolarHBondContact O-N 2.91Å |
| 97 | V | 95.4 | Very high | 89.8 | Confident | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | E93 Q94 K99 A100 H101 | E93-V97 WeakPolarHBondContact O-CG2 3.34Å; E93-V97 PolarHBondContact O-N 3.17Å; Q94-V97 PolarHBondContact O-N 3.23Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; V97-A100 PolarHBondContact O-N 2.87Å; V97-H101 PolarHBondContact O-N 2.99Å |
| 98 | L | 95.5 | Very high | 91.4 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 56% | 0.56 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 178.4 | -73.5 | 168.6 | 0 | 0 | 0 | 111.9 | Q94 R96 H101 I102 | Q94-L98 WeakPolarHBondContact O-CB 3.43Å; Q94-L98 VanDerWaalsContact O-CG 3.26Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.37Å; R96-L98 PolarHBondContact O-N 3.34Å; L98-H101 PolarHBondContact O-N 3.19Å; L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.12Å |
| 99 | K | 96.3 | Very high | 92.7 | Very high | 141 Ų | 141 | 105.2 Ų | 105.2 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 175.3 | -78 | -179.7 | 177.7 | -171.2 | 0 | 112.5 | I95 R96 V97 H101 I102 A103 | I95-K99 HydrophobicContact CG2-CD 4.12Å; I95-K99 HydrophobicContact CG2-CG 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.26Å; I95-K99 VanDerWaalsContact O-CG 3.25Å; I95-K99 WeakPolarHBondContact O-CG 3.35Å; I95-K99 PolarHBondContact O-N 3.29Å; R96-K99 PolarHBondContact O-N 3.12Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 3.3Å; K99-H101 VanDerWaalsContact C-N 3.32Å; K99-I102 PolarHBondContact O-N 3.42Å; K99-A103 PolarHBondContact O-N 3.4Å; K99-A103 VanDerWaalsContact O-N 3.12Å |
| 100 | A | 96.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R96 V97 A103 E104 | R96-A100 PolarHBondContact O-N 2.91Å; V97-A100 PolarHBondContact O-N 2.87Å; A100-A103 PolarHBondContact O-N 3.18Å; A100-E104 PolarHBondContact O-N 3.43Å |
| 101 | H | 96.6 | Very high | 94.7 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 43% | 0.431 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 177.8 | -166.9 | 54.4 | 0 | 0 | 0 | 112.6 | V97 L98 K99 E104 L105 | V97-H101 PolarHBondContact O-N 2.99Å; L98-H101 PolarHBondContact O-N 3.19Å; K99-H101 VanDerWaalsContact C-N 3.32Å; H101-E104 IonicContact ND1-OE2 3.14Å; H101-E104 PolarHBondContact ND1-OE2 3.21Å; H101-E104 PolarHBondContact O-N 3.46Å; H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.29Å; H101-L105 WeakPolarHBondContact O-CG 3.44Å; H101-L105 PolarHBondContact O-N 3.02Å |
| 102 | I | 97.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 102.1 Ų | 102.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 172.6 | -70.1 | 165.8 | 0 | 0 | 0 | 110.4 | L98 K99 E104 L105 E106 | L98-I102 WeakPolarHBondContact O-CG1 3.33Å; L98-I102 PolarHBondContact O-N 3.12Å; K99-I102 PolarHBondContact O-N 3.42Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 2.93Å; I102-L105 PolarHBondContact O-N 3.22Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.19Å |
| 103 | A | 97.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 103 Ų | 103 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K99 A100 V107 | K99-A103 PolarHBondContact O-N 3.4Å; K99-A103 VanDerWaalsContact O-N 3.12Å; A100-A103 PolarHBondContact O-N 3.18Å; A103-V107 WeakPolarHBondContact O-CG2 3.34Å; A103-V107 PolarHBondContact O-N 2.84Å |
| 104 | E | 97.6 | Very high | 96.4 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 173.8 | -178.8 | 178.9 | -153.6 | 0 | 0 | 111.7 | A100 H101 I102 E106 V107 Q108 | A100-E104 PolarHBondContact O-N 3.43Å; H101-E104 IonicContact ND1-OE2 3.14Å; H101-E104 PolarHBondContact ND1-OE2 3.21Å; H101-E104 PolarHBondContact O-N 3.46Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 2.93Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å; E104-V107 PolarHBondContact O-N 3.04Å; E104-Q108 PolarHBondContact O-N 3.47Å |
| 105 | L | 97.7 | Very high | 96.7 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 177.6 | -72 | 172.1 | 0 | 0 | 0 | 111.9 | H101 I102 V107 Q108 E109 | H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.29Å; H101-L105 WeakPolarHBondContact O-CG 3.44Å; H101-L105 PolarHBondContact O-N 3.02Å; I102-L105 PolarHBondContact O-N 3.22Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 3.2Å; L105-Q108 PolarHBondContact O-N 3.39Å; L105-E109 WeakPolarHBondContact O-CB 3.39Å; L105-E109 PolarHBondContact O-N 3.4Å |
| 106 | E | 97.8 | Very high | 97 | Very high | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 175.5 | -74.5 | 173.6 | 170.4 | 0 | 0 | 112 | I102 E104 K110 | I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.19Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E104-E106 PolarHBondContact O-N 2.93Å; E106-K110 WeakPolarHBondContact O-CB 3.29Å; E106-K110 PolarHBondContact O-N 2.89Å; E106-K110 VanDerWaalsContact O-N 3.14Å |
| 107 | V | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.9 | -41.7 | 175 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | A103 E104 L105 K110 E111 | A103-V107 WeakPolarHBondContact O-CG2 3.34Å; A103-V107 PolarHBondContact O-N 2.84Å; E104-V107 PolarHBondContact O-N 3.04Å; L105-V107 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 3.2Å; V107-K110 PolarHBondContact O-N 2.93Å; V107-E111 PolarHBondContact O-N 3.05Å |
| 108 | Q | 97.4 | Very high | 97.1 | Very high | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 177.2 | -72.2 | -176 | -22.8 | 0 | 0 | 112.4 | E104 L105 K110 E111 L112 | E104-Q108 PolarHBondContact O-N 3.47Å; L105-Q108 PolarHBondContact O-N 3.39Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; Q108-E111 PolarHBondContact O-N 3.36Å; Q108-L112 WeakPolarHBondContact O-CG 3.5Å; Q108-L112 PolarHBondContact O-N 3.33Å |
| 109 | E | 97.6 | Very high | 97.1 | Very high | 126 Ų | 126 | 101.2 Ų | 101.2 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | 175.6 | -175.6 | 175.2 | -163.5 | 0 | 0 | 110.6 | L105 E111 L112 D113 | L105-E109 WeakPolarHBondContact O-CB 3.39Å; L105-E109 PolarHBondContact O-N 3.4Å; E109-E111 PolarHBondContact O-N 3.22Å; E109-L112 PolarHBondContact O-N 3.48Å; E109-D113 PolarHBondContact O-N 3.14Å |
| 110 | K | 97.8 | Very high | 96.9 | Very high | 137 Ų | 137 | 98.8 Ų | 98.8 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 177.1 | -172.4 | -175.4 | 175.4 | -171.8 | 0 | 112.9 | E106 V107 Q108 L112 D113 D114 | E106-K110 WeakPolarHBondContact O-CB 3.29Å; E106-K110 PolarHBondContact O-N 2.89Å; E106-K110 VanDerWaalsContact O-N 3.14Å; V107-K110 PolarHBondContact O-N 2.93Å; Q108-K110 VanDerWaalsContact C-N 3.32Å; Q108-K110 PolarHBondContact O-N 2.96Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.94Å; K110-D113 PolarHBondContact O-N 2.99Å; K110-D114 PolarHBondContact O-N 3.41Å |
| 111 | E | 97.9 | Very high | 96.8 | Very high | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.1 | 177.5 | 63.8 | -150.1 | 0 | 0 | 111.3 | V107 Q108 E109 D114 Q115 | V107-E111 PolarHBondContact O-N 3.05Å; Q108-E111 PolarHBondContact O-N 3.36Å; E109-E111 PolarHBondContact O-N 3.22Å; E111-D114 PolarHBondContact O-N 3.02Å; E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.37Å; E111-Q115 PolarHBondContact O-N 3.45Å; E111-Q115 PolarHBondContact OE1-NE2 3.45Å |
| 112 | L | 97.6 | Very high | 96.5 | Very high | 112 Ų | 112 | 98.1 Ų | 98.1 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 176.2 | -72.1 | 171.4 | 0 | 0 | 0 | 112 | Q108 E109 K110 Q115 K116 | Q108-L112 WeakPolarHBondContact O-CG 3.5Å; Q108-L112 PolarHBondContact O-N 3.33Å; E109-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 2.94Å; L112-Q115 PolarHBondContact O-N 2.92Å; L112-K116 WeakPolarHBondContact O-CB 3.44Å; L112-K116 PolarHBondContact O-N 3.34Å |
| 113 | D | 97.6 | Very high | 96.1 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175 | -81.7 | -22.6 | 0 | 0 | 0 | 112.1 | E109 K110 K116 A117 | E109-D113 PolarHBondContact O-N 3.14Å; K110-D113 PolarHBondContact O-N 2.99Å; D113-K116 PolarHBondContact O-N 3.43Å; D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 2.96Å |
| 114 | D | 97 | Very high | 95.5 | Very high | 91 Ų | 91 | 101 Ų | 101 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.2 | -74.1 | -22.5 | 0 | 0 | 0 | 111.1 | K110 E111 A117 W118 | K110-D114 PolarHBondContact O-N 3.41Å; E111-D114 PolarHBondContact O-N 3.02Å; D114-A117 PolarHBondContact O-N 2.91Å; D114-W118 WeakPolarHBondContact O-CB 3.33Å; D114-W118 PolarHBondContact O-N 2.94Å |
| 115 | Q | 97.1 | Very high | 94.7 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 175.5 | -73 | 176.2 | 4.5 | 0 | 0 | 112.1 | E111 L112 W118 V119 | E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.37Å; E111-Q115 PolarHBondContact O-N 3.45Å; E111-Q115 PolarHBondContact OE1-NE2 3.45Å; L112-Q115 PolarHBondContact O-N 2.92Å; Q115-W118 PolarHBondContact O-N 3.36Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 3.26Å |
| 116 | K | 96.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 103.2 Ų | 103.2 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 176.8 | 178.4 | -178.1 | 167.7 | -171.1 | 0 | 110.9 | L112 D113 W118 V119 E120 | L112-K116 WeakPolarHBondContact O-CB 3.44Å; L112-K116 PolarHBondContact O-N 3.34Å; D113-K116 PolarHBondContact O-N 3.43Å; K116-W118 VanDerWaalsContact C-N 3.28Å; K116-W118 PolarHBondContact O-N 3.01Å; K116-V119 PolarHBondContact O-N 3.46Å; K116-E120 WeakPolarHBondContact CE-OE1 3.32Å; K116-E120 HydrophobicContact CG-CG 4.48Å; K116-E120 WeakPolarHBondContact O-CB 3.01Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.34Å |
| 117 | A | 96.2 | Very high | 92.7 | Very high | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D113 D114 E120 E121 | D113-A117 WeakPolarHBondContact O-CB 3.42Å; D113-A117 PolarHBondContact O-N 2.96Å; D114-A117 PolarHBondContact O-N 2.91Å; A117-E120 PolarHBondContact O-N 3.46Å; A117-E121 WeakPolarHBondContact O-CB 3.17Å; A117-E121 PolarHBondContact O-N 2.78Å |
| 118 | W | 96 | Very high | 91.2 | Very high | 173 Ų | 173 | 101.3 Ų | 101.3 | 66% | 0.655 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 176.4 | -177.5 | 84.9 | 0 | 0 | 0 | 112.3 | D114 Q115 K116 E121 N122 | D114-W118 WeakPolarHBondContact O-CB 3.33Å; D114-W118 PolarHBondContact O-N 2.94Å; Q115-W118 PolarHBondContact O-N 3.36Å; K116-W118 VanDerWaalsContact C-N 3.28Å; K116-W118 PolarHBondContact O-N 3.01Å; W118-E121 PolarHBondContact O-N 3.33Å; W118-N122 WeakPolarHBondContact CH2-ND2 3.45Å; W118-N122 WeakPolarHBondContact CZ2-ND2 3.47Å; W118-N122 PolarHBondContact NE1-ND2 3.45Å; W118-N122 PolarHBondContact O-N 3.38Å; W118-N122 PolarHBondContact O-ND2 3.27Å |
| 119 | V | 94.6 | Very high | 89.7 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 42% | 0.418 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | Q115 K116 E121 N122 I123 | Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 3.26Å; K116-V119 PolarHBondContact O-N 3.46Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 3.02Å; V119-N122 PolarHBondContact O-N 3.18Å; V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.93Å |
| 120 | E | 93.7 | Very high | 88 | Confident | 91 Ų | 91 | 97.9 Ų | 97.9 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 177.8 | -75.2 | 179.3 | 179.7 | 0 | 0 | 111.7 | K116 A117 K124 | K116-E120 WeakPolarHBondContact CE-OE1 3.32Å; K116-E120 HydrophobicContact CG-CG 4.48Å; K116-E120 WeakPolarHBondContact O-CB 3.01Å; K116-E120 WeakPolarHBondContact O-CG 3.47Å; K116-E120 PolarHBondContact O-N 3.34Å; A117-E120 PolarHBondContact O-N 3.46Å; E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.43Å; E120-K124 VanDerWaalsContact O-N 3.09Å |
| 121 | E | 92.8 | Very high | 86.3 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 178.1 | -163.5 | 59 | -161.2 | 0 | 0 | 112.4 | A117 W118 V119 I123 K124 H125 | A117-E121 WeakPolarHBondContact O-CB 3.17Å; A117-E121 PolarHBondContact O-N 2.78Å; W118-E121 PolarHBondContact O-N 3.33Å; V119-E121 VanDerWaalsContact C-N 3.26Å; V119-E121 PolarHBondContact O-N 3.02Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.16Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.41Å; E121-K124 VanDerWaalsContact O-N 3.16Å; E121-K124 IonicContact OE2-NZ 3.46Å; E121-K124 PolarHBondContact OE2-NZ 2.94Å; E121-K124 VanDerWaalsContact OE2-NZ 3.14Å; E121-H125 PolarHBondContact O-CD2 2.87Å; E121-H125 PolarHBondContact O-N 3.27Å; E121-H125 IonicContact OE1-CD2 2.64Å; E121-H125 IonicContact OE1-NE2 3.09Å; E121-H125 PolarHBondContact OE1-NE2 2.83Å |
| 122 | N | 90.9 | Very high | 84.4 | Confident | 58 Ų | 58 | 96.5 Ų | 96.5 | 31% | 0.31 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 174.1 | -76.6 | -67.3 | 0 | 0 | 0 | 112.2 | W118 V119 K124 H125 L126 | W118-N122 WeakPolarHBondContact CH2-ND2 3.45Å; W118-N122 WeakPolarHBondContact CZ2-ND2 3.47Å; W118-N122 PolarHBondContact NE1-ND2 3.45Å; W118-N122 PolarHBondContact O-N 3.38Å; W118-N122 PolarHBondContact O-ND2 3.27Å; V119-N122 PolarHBondContact O-N 3.18Å; N122-K124 VanDerWaalsContact C-N 3.32Å; N122-K124 PolarHBondContact O-N 3.27Å; N122-H125 PolarHBondContact O-N 3.14Å; N122-L126 WeakPolarHBondContact O-CB 3.29Å; N122-L126 VanDerWaalsContact O-CG 3.32Å; N122-L126 WeakPolarHBondContact O-CG 3.33Å; N122-L126 PolarHBondContact O-N 2.91Å |
| 123 | I | 88.7 | Confident | 82.4 | Confident | 95 Ų | 95 | 98.9 Ų | 98.9 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.5 | -69.6 | 169.6 | 0 | 0 | 0 | 110.3 | V119 E121 L126 T127 | V119-I123 HydrophobicContact CG1-CD1 3.78Å; V119-I123 HydrophobicContact CG1-CG1 4.32Å; V119-I123 WeakPolarHBondContact O-CG1 3.33Å; V119-I123 PolarHBondContact O-N 2.93Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 3.16Å; I123-L126 PolarHBondContact O-N 3.09Å; I123-T127 HydrophobicContact CG2-CG2 4.23Å; I123-T127 WeakPolarHBondContact O-CB 3.25Å; I123-T127 VanDerWaalsContact O-CG2 3.25Å; I123-T127 WeakPolarHBondContact O-CG2 3.38Å; I123-T127 PolarHBondContact O-N 2.77Å; I123-T127 PolarHBondContact O-OG1 2.91Å |
| 124 | K | 85.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 45% | 0.452 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.8 | -71.8 | 174.2 | -157.8 | 156.5 | 0 | 111.7 | E120 E121 N122 T127 H128 | E120-K124 WeakPolarHBondContact O-CG 3.35Å; E120-K124 PolarHBondContact O-N 3.43Å; E120-K124 VanDerWaalsContact O-N 3.09Å; E121-K124 WeakPolarHBondContact O-CB 3.47Å; E121-K124 PolarHBondContact O-N 3.41Å; E121-K124 VanDerWaalsContact O-N 3.16Å; E121-K124 IonicContact OE2-NZ 3.46Å; E121-K124 PolarHBondContact OE2-NZ 2.94Å; E121-K124 VanDerWaalsContact OE2-NZ 3.14Å; N122-K124 VanDerWaalsContact C-N 3.32Å; N122-K124 PolarHBondContact O-N 3.27Å; K124-T127 WeakPolarHBondContact CA-OG1 3.46Å; K124-T127 PolarHBondContact O-N 3.46Å; K124-T127 PolarHBondContact O-OG1 2.91Å; K124-H128 WeakPolarHBondContact O-CB 3.36Å; K124-H128 PolarHBondContact O-N 3.47Å; K124-H128 VanDerWaalsContact O-N 3.08Å; K124-H128 PolarHBondContact O-ND1 3.28Å |
| 125 | H | 80.8 | Confident | 78.8 | Confident | 124 Ų | 124 | 100.7 Ų | 100.7 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -47.4 | 177.6 | -79.3 | -66.7 | 0 | 0 | 0 | 112 | E121 N122 T127 H128 D129 | E121-H125 PolarHBondContact O-CD2 2.87Å; E121-H125 PolarHBondContact O-N 3.27Å; E121-H125 IonicContact OE1-CD2 2.64Å; E121-H125 IonicContact OE1-NE2 3.09Å; E121-H125 PolarHBondContact OE1-NE2 2.83Å; N122-H125 PolarHBondContact O-N 3.14Å; H125-T127 VanDerWaalsContact C-N 3.33Å; H125-T127 PolarHBondContact O-N 3.38Å; H125-H128 PolarHBondContact O-N 3.46Å; H125-D129 PolarHBondContact O-N 3.09Å |
| 126 | L | 78.4 | Confident | 77 | Confident | 107 Ų | 107 | 99.5 Ų | 99.5 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -35 | 177.8 | -68.8 | 170.7 | 0 | 0 | 0 | 112.7 | N122 I123 H128 I132 | N122-L126 WeakPolarHBondContact O-CB 3.29Å; N122-L126 VanDerWaalsContact O-CG 3.32Å; N122-L126 WeakPolarHBondContact O-CG 3.33Å; N122-L126 PolarHBondContact O-N 2.91Å; I123-L126 PolarHBondContact O-N 3.09Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-I132 VanDerWaalsContact O-CD1 3.25Å; L126-I132 WeakPolarHBondContact O-CD1 3.46Å |
| 127 | T | 73.6 | Confident | 75.2 | Confident | 72 Ų | 72 | 98.3 Ų | 98.3 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.8 | -13.9 | 179.2 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | I123 K124 H125 R133 | I123-T127 HydrophobicContact CG2-CG2 4.23Å; I123-T127 WeakPolarHBondContact O-CB 3.25Å; I123-T127 VanDerWaalsContact O-CG2 3.25Å; I123-T127 WeakPolarHBondContact O-CG2 3.38Å; I123-T127 PolarHBondContact O-N 2.77Å; I123-T127 PolarHBondContact O-OG1 2.91Å; K124-T127 WeakPolarHBondContact CA-OG1 3.46Å; K124-T127 PolarHBondContact O-N 3.46Å; K124-T127 PolarHBondContact O-OG1 2.91Å; H125-T127 VanDerWaalsContact C-N 3.33Å; H125-T127 PolarHBondContact O-N 3.38Å; T127-R133 PolarHBondContact O-NE 3.03Å; T127-R133 VanDerWaalsContact O-NE 3.12Å |
| 128 | H | 66.2 | Low | 73.5 | Confident | 114 Ų | 114 | 98.2 Ų | 98.2 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.9 | 175.1 | -75.3 | 77.7 | 0 | 0 | 0 | 113.4 | K124 H125 L126 P130 | K124-H128 WeakPolarHBondContact O-CB 3.36Å; K124-H128 PolarHBondContact O-N 3.47Å; K124-H128 VanDerWaalsContact O-N 3.08Å; K124-H128 PolarHBondContact O-ND1 3.28Å; H125-H128 PolarHBondContact O-N 3.46Å; L126-H128 VanDerWaalsContact C-N 3.34Å; H128-P130 WeakPolarHBondContact O-CD 3.29Å |
| 129 | D | 67.3 | Low | 71.7 | Confident | 66 Ų | 66 | 95 Ų | 95 | 35% | 0.353 | 50% | 0.502 | S | S | . | . | trans | -61.8 | 118.1 | 173.4 | -161.4 | -34.9 | 0 | 0 | 0 | 109.9 | H125 D131 I132 R133 | H125-D129 PolarHBondContact O-N 3.09Å; D129-D131 PolarHBondContact O-N 3.08Å; D129-D131 PolarHBondContact OD1-N 3.41Å; D129-D131 VanDerWaalsContact OD1-N 3.11Å; D129-I132 HydrophobicContact CB-CB 4.43Å; D129-I132 HydrophobicContact CB-CD1 4.1Å; D129-I132 HydrophobicContact CB-CG1 4.26Å; D129-I132 PolarHBondContact O-N 3.31Å; D129-I132 VanDerWaalsContact O-N 3.12Å; D129-R133 PolarHBondContact O-N 3.38Å | ||
| 130 | P | 60.8 | Low | 70.1 | Confident | 93 Ų | 93 | 95 Ų | 95 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.4 | -25.4 | -179.2 | 24.6 | -33.9 | 0 | 0 | 0 | 112.6 | H128 R133 A134 | H128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-R133 PolarHBondContact O-N 2.77Å; P130-A134 VanDerWaalsContact O-CB 3.27Å; P130-A134 WeakPolarHBondContact O-CB 3.33Å; P130-A134 PolarHBondContact O-N 2.98Å |
| 131 | D | 63.1 | Low | 68.5 | Low | 115 Ų | 115 | 98.4 Ų | 98.4 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -32.5 | 177.5 | -76.6 | -18.1 | 0 | 0 | 0 | 111.9 | D129 Y135 | D129-D131 PolarHBondContact O-N 3.08Å; D129-D131 PolarHBondContact OD1-N 3.41Å; D129-D131 VanDerWaalsContact OD1-N 3.11Å; D131-Y135 WeakPolarHBondContact O-CD2 3.19Å; D131-Y135 WeakPolarHBondContact O-CE2 3.21Å |
| 132 | I | 58.1 | Low | 67.1 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.6 | -33.3 | 176.3 | -66.3 | 172.9 | 0 | 0 | 0 | 110.9 | L126 D129 | L126-I132 VanDerWaalsContact O-CD1 3.25Å; L126-I132 WeakPolarHBondContact O-CD1 3.46Å; D129-I132 HydrophobicContact CB-CB 4.43Å; D129-I132 HydrophobicContact CB-CD1 4.1Å; D129-I132 HydrophobicContact CB-CG1 4.26Å; D129-I132 PolarHBondContact O-N 3.31Å; D129-I132 VanDerWaalsContact O-N 3.12Å |
| 133 | R | 55.2 | Low | 65.9 | Low | 162 Ų | 162 | 106 Ų | 106 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76.6 | -20.3 | 175.9 | -71 | 177.5 | 163.5 | -168.5 | -5.3 | 113.8 | T127 D129 P130 Y135 | T127-R133 PolarHBondContact O-NE 3.03Å; T127-R133 VanDerWaalsContact O-NE 3.12Å; D129-R133 PolarHBondContact O-N 3.38Å; P130-R133 PolarHBondContact O-N 2.77Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 3.12Å |
| 134 | A | 59.2 | Low | 64.8 | Low | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -7.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | P130 P136 | P130-A134 VanDerWaalsContact O-CB 3.27Å; P130-A134 WeakPolarHBondContact O-CB 3.33Å; P130-A134 PolarHBondContact O-N 2.98Å; A134-P136 WeakPolarHBondContact O-CD 3.25Å |
| 135 | Y | 58.4 | Low | 63.9 | Low | 151 Ų | 151 | 108 Ų | 108 | 59% | 0.592 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -85.9 | 101.2 | 168 | -63.4 | -77.4 | 0 | 0 | 0 | 109.1 | D131 R133 S137 | D131-Y135 WeakPolarHBondContact O-CD2 3.19Å; D131-Y135 WeakPolarHBondContact O-CE2 3.21Å; R133-Y135 VanDerWaalsContact C-N 3.28Å; R133-Y135 PolarHBondContact O-N 3.12Å; Y135-S137 PolarHBondContact O-N 3.42Å; Y135-S137 VanDerWaalsContact O-N 3.16Å |
| 136 | P | 59.5 | Low | 63.2 | Low | 70 Ų | 70 | 108.5 Ų | 108.5 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | trans | -55.6 | 129.6 | 167.3 | 24.5 | -33 | 0 | 0 | 0 | 106.9 | A134 A138 L139 | A134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-A138 CarbonylContact O-C 3.55Å; P136-A138 PolarHBondContact O-N 2.94Å; P136-L139 HydrophobicContact CG-CB 4.16Å; P136-L139 HydrophobicContact CG-CD1 3.57Å; P136-L139 HydrophobicContact CG-CG 3.78Å; P136-L139 PolarHBondContact O-N 3.07Å | ||
| 137 | S | 60.8 | Low | 62.8 | Low | 95 Ų | 95 | 106.6 Ų | 106.6 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -44.6 | -32.9 | -175.6 | 49 | 0 | 0 | 0 | 0 | 113 | Y135 C140 F141 | Y135-S137 PolarHBondContact O-N 3.42Å; Y135-S137 VanDerWaalsContact O-N 3.16Å; S137-C140 PolarHBondContact O-N 2.92Å; S137-F141 VanDerWaalsContact O-CD2 3.29Å; S137-F141 WeakPolarHBondContact O-CD2 3.49Å; S137-F141 PolarHBondContact O-N 3.35Å |
| 138 | A | 58.9 | Low | 62.6 | Low | 54 Ų | 54 | 110.9 Ų | 110.9 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.2 | -46.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P136 C140 F141 F142 | P136-A138 CarbonylContact O-C 3.55Å; P136-A138 PolarHBondContact O-N 2.94Å; A138-C140 PolarHBondContact O-N 3.45Å; A138-F141 PolarHBondContact O-N 3.26Å; A138-F142 VanDerWaalsContact O-CD2 3.24Å; A138-F142 WeakPolarHBondContact O-CD2 3.36Å; A138-F142 PolarHBondContact O-N 2.77Å |
| 139 | L | 59.1 | Low | 62.9 | Low | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70 | -31.8 | -177.3 | -72.3 | 178.8 | 0 | 0 | 0 | 112.7 | P136 F142 F143 | P136-L139 HydrophobicContact CG-CB 4.16Å; P136-L139 HydrophobicContact CG-CD1 3.57Å; P136-L139 HydrophobicContact CG-CG 3.78Å; P136-L139 PolarHBondContact O-N 3.07Å; L139-F142 PolarHBondContact O-N 3.41Å; L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.88Å |
| 140 | C | 60.8 | Low | 62.7 | Low | 70 Ų | 70 | 113.3 Ų | 113.3 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.3 | -41.3 | 175.1 | -154.7 | 0 | 0 | 0 | 0 | 111 | S137 A138 F143 V144 | S137-C140 PolarHBondContact O-N 2.92Å; A138-C140 PolarHBondContact O-N 3.45Å; C140-F143 PolarHBondContact O-N 2.95Å; C140-V144 WeakPolarHBondContact O-CG2 3.45Å; C140-V144 PolarHBondContact O-N 3.41Å; C140-V144 VanDerWaalsContact O-N 3.07Å |
| 141 | F | 60.8 | Low | 62.5 | Low | 161 Ų | 161 | 115.5 Ų | 115.5 | 71% | 0.706 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.6 | -44.2 | 171.3 | -87.7 | -77.6 | 0 | 0 | 0 | 112.1 | S137 A138 F143 F145 | S137-F141 VanDerWaalsContact O-CD2 3.29Å; S137-F141 WeakPolarHBondContact O-CD2 3.49Å; S137-F141 PolarHBondContact O-N 3.35Å; A138-F141 PolarHBondContact O-N 3.26Å; F141-F143 PolarHBondContact O-N 3.11Å; F141-F145 WeakPolarHBondContact O-CB 3.26Å; F141-F145 PolarHBondContact O-N 3.26Å |
| 142 | F | 63.5 | Low | 62 | Low | 151 Ų | 151 | 118.1 Ų | 118.1 | 66% | 0.662 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.6 | -38.1 | 177.4 | -90.3 | -77.8 | 0 | 0 | 0 | 112.7 | A138 L139 Y146 | A138-F142 VanDerWaalsContact O-CD2 3.24Å; A138-F142 WeakPolarHBondContact O-CD2 3.36Å; A138-F142 PolarHBondContact O-N 2.77Å; L139-F142 PolarHBondContact O-N 3.41Å; F142-Y146 WeakPolarHBondContact O-CA 3.17Å; F142-Y146 WeakPolarHBondContact O-CB 3.4Å; F142-Y146 PolarHBondContact O-N 3.12Å |
| 143 | F | 63.8 | Low | 62.2 | Low | 150 Ų | 150 | 119.2 Ų | 119.2 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.1 | -44.3 | 179.1 | -161.9 | -96.4 | 0 | 0 | 0 | 112 | L139 C140 F141 Y146 V147 | L139-F143 WeakPolarHBondContact O-CB 3.45Å; L139-F143 PolarHBondContact O-N 2.88Å; C140-F143 PolarHBondContact O-N 2.95Å; F141-F143 PolarHBondContact O-N 3.11Å; F143-Y146 PolarHBondContact O-N 3.2Å; F143-V147 HydrophobicContact CD1-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CZ-CG2 4.42Å; F143-V147 WeakPolarHBondContact O-CB 3.08Å; F143-V147 VanDerWaalsContact O-CG2 3.29Å; F143-V147 WeakPolarHBondContact O-CG2 3.13Å; F143-V147 PolarHBondContact O-N 2.98Å |
| 144 | V | 66.3 | Low | 62.6 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | C140 F148 | C140-V144 WeakPolarHBondContact O-CG2 3.45Å; C140-V144 PolarHBondContact O-N 3.41Å; C140-V144 VanDerWaalsContact O-N 3.07Å; V144-F148 VanDerWaalsContact O-CB 3.29Å; V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.16Å |
| 145 | F | 66.3 | Low | 62.7 | Low | 147 Ų | 147 | 119.6 Ų | 119.6 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70 | -39.5 | 177.1 | -149.2 | -94.8 | 0 | 0 | 0 | 112 | F141 F148 V149 | F141-F145 WeakPolarHBondContact O-CB 3.26Å; F141-F145 PolarHBondContact O-N 3.26Å; F145-F148 PolarHBondContact O-N 3.47Å; F145-V149 HydrophobicContact CD1-CG2 3.6Å; F145-V149 HydrophobicContact CE1-CG2 3.59Å; F145-V149 HydrophobicContact CG-CG2 4.35Å; F145-V149 HydrophobicContact CZ-CG2 4.34Å; F145-V149 WeakPolarHBondContact O-CB 3.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.48Å; F145-V149 PolarHBondContact O-N 3.5Å |
| 146 | Y | 68.1 | Low | 63 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.2 | -44.8 | 177 | -172 | -93.1 | 0 | 0 | 0 | 111.3 | F142 F143 F148 V149 Y150 | F142-Y146 WeakPolarHBondContact O-CA 3.17Å; F142-Y146 WeakPolarHBondContact O-CB 3.4Å; F142-Y146 PolarHBondContact O-N 3.12Å; F143-Y146 PolarHBondContact O-N 3.2Å; Y146-F148 VanDerWaalsContact C-N 3.35Å; Y146-F148 PolarHBondContact O-N 3.47Å; Y146-V149 PolarHBondContact O-N 3.4Å; Y146-Y150 HydrophobicContact CD1-CD2 4.34Å; Y146-Y150 AromaticContact CD2-CD2 3.41Å; Y146-Y150 HydrophobicContact CD2-CD2 3.41Å; Y146-Y150 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y150 AromaticContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CE2 3.45Å; Y146-Y150 VanDerWaalsContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CG 4.3Å; Y146-Y150 HydrophobicContact CE1-CD2 4.37Å; Y146-Y150 HydrophobicContact CE1-CG 4.38Å; Y146-Y150 HydrophobicContact CE2-CD1 4.4Å; Y146-Y150 AromaticContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CD2 3.44Å; Y146-Y150 VanDerWaalsContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CE1 4.32Å; Y146-Y150 AromaticContact CE2-CE2 3.34Å; Y146-Y150 HydrophobicContact CE2-CE2 3.34Å; Y146-Y150 AromaticContact CE2-CG 3.99Å; Y146-Y150 HydrophobicContact CE2-CG 3.99Å; Y146-Y150 AromaticContact CE2-CZ 3.81Å; Y146-Y150 AromaticContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CE2 4.36Å; Y146-Y150 AromaticContact CZ-CD2 3.94Å; Y146-Y150 VanDerWaalsContact O-CB 3.26Å; Y146-Y150 WeakPolarHBondContact O-CB 3.29Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.24Å; Y146-Y150 PolarHBondContact O-N 2.77Å |
| 147 | V | 69.6 | Low | 63.2 | Low | 66 Ų | 66 | 120.7 Ų | 120.7 | 40% | 0.4 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.7 | -41.1 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | F143 N151 | F143-V147 HydrophobicContact CD1-CG2 4.2Å; F143-V147 HydrophobicContact CE1-CG2 4.01Å; F143-V147 HydrophobicContact CZ-CG2 4.42Å; F143-V147 WeakPolarHBondContact O-CB 3.08Å; F143-V147 VanDerWaalsContact O-CG2 3.29Å; F143-V147 WeakPolarHBondContact O-CG2 3.13Å; F143-V147 PolarHBondContact O-N 2.98Å; V147-N151 WeakPolarHBondContact O-CB 3.01Å; V147-N151 PolarHBondContact O-N 2.86Å; V147-N151 VanDerWaalsContact O-N 3.09Å |
| 148 | F | 69.5 | Low | 63.4 | Low | 162 Ų | 162 | 122.4 Ų | 122.4 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.2 | -31.5 | -179.8 | -153.1 | -91.7 | 0 | 0 | 0 | 113.7 | V144 F145 Y146 | V144-F148 VanDerWaalsContact O-CB 3.29Å; V144-F148 WeakPolarHBondContact O-CB 3.27Å; V144-F148 PolarHBondContact O-N 3.16Å; F145-F148 PolarHBondContact O-N 3.47Å; Y146-F148 VanDerWaalsContact C-N 3.35Å; Y146-F148 PolarHBondContact O-N 3.47Å |
| 149 | V | 72.4 | Confident | 63.7 | Low | 76 Ų | 76 | 127.3 Ų | 127.3 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -86.4 | -30.4 | 179.8 | 172.4 | 0 | 0 | 0 | 0 | 112.5 | F145 Y146 | F145-V149 HydrophobicContact CD1-CG2 3.6Å; F145-V149 HydrophobicContact CE1-CG2 3.59Å; F145-V149 HydrophobicContact CG-CG2 4.35Å; F145-V149 HydrophobicContact CZ-CG2 4.34Å; F145-V149 WeakPolarHBondContact O-CB 3.04Å; F145-V149 WeakPolarHBondContact O-CG2 3.48Å; F145-V149 PolarHBondContact O-N 3.5Å; Y146-V149 PolarHBondContact O-N 3.4Å |
| 150 | Y | 61.8 | Low | 64.1 | Low | 156 Ų | 156 | 129 Ų | 129 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -103 | -7.6 | -176.4 | -75.2 | -94.7 | 0 | 0 | 0 | 114.9 | Y146 | Y146-Y150 HydrophobicContact CD1-CD2 4.34Å; Y146-Y150 AromaticContact CD2-CD2 3.41Å; Y146-Y150 HydrophobicContact CD2-CD2 3.41Å; Y146-Y150 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y150 AromaticContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CE2 3.45Å; Y146-Y150 VanDerWaalsContact CD2-CE2 3.45Å; Y146-Y150 HydrophobicContact CD2-CG 4.3Å; Y146-Y150 HydrophobicContact CE1-CD2 4.37Å; Y146-Y150 HydrophobicContact CE1-CG 4.38Å; Y146-Y150 HydrophobicContact CE2-CD1 4.4Å; Y146-Y150 AromaticContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CD2 3.44Å; Y146-Y150 VanDerWaalsContact CE2-CD2 3.44Å; Y146-Y150 HydrophobicContact CE2-CE1 4.32Å; Y146-Y150 AromaticContact CE2-CE2 3.34Å; Y146-Y150 HydrophobicContact CE2-CE2 3.34Å; Y146-Y150 AromaticContact CE2-CG 3.99Å; Y146-Y150 HydrophobicContact CE2-CG 3.99Å; Y146-Y150 AromaticContact CE2-CZ 3.81Å; Y146-Y150 AromaticContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CD2 3.88Å; Y146-Y150 HydrophobicContact CG-CE2 4.36Å; Y146-Y150 AromaticContact CZ-CD2 3.94Å; Y146-Y150 VanDerWaalsContact O-CB 3.26Å; Y146-Y150 WeakPolarHBondContact O-CB 3.29Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.24Å; Y146-Y150 PolarHBondContact O-N 2.77Å |
| 151 | N | 57.3 | Low | 64.3 | Low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | trans | -108.8 | 16.8 | 170.1 | -79.8 | -97.7 | 0 | 0 | 0 | 113.5 | V147 | V147-N151 WeakPolarHBondContact O-CB 3.01Å; V147-N151 PolarHBondContact O-N 2.86Å; V147-N151 VanDerWaalsContact O-N 3.09Å | ||
| 152 | C | 52.4 | Low | 64.6 | Low | 170 Ų | 170 | 131.5 Ų | 131.5 | 100% | 1.149 | 65% | 0.649 | S | S | * | * | trans | -114 | 0 | 167.9 | -126.5 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 152 of 152 residues in 265.7 ms
(Link to these results)