| 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 | 34.1 | Very low | 43.2 | Very low | 208 Ų | 208 | 92.3 Ų | 92.3 | 100% | 1.025 | 50% | 0.502 | S | S | * | . | 0 | 138.9 | 0 | -70 | -179.8 | 176.9 | 0 | 0 | 110.1 | L3 | M1-L3 HydrophobicContact CE-CD1 4.21Å; M1-L3 HydrophobicContact CG-CD1 4.37Å; M1-L3 HydrophobicContact SD-CD1 3.48Å; M1-L3 WeakPolarHBondContact SD-CD1 2.98Å; M1-L3 HydrophobicContact SD-CG 4.26Å | |||
| 2 | N | 36.4 | Very low | 43.3 | Very low | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | trans | -126.2 | 70.2 | 140.3 | -75.4 | -37.7 | 0 | 0 | 0 | 107 | S4 I5 | N2-S4 PolarHBondContact O-N 2.7Å; N2-I5 HydrophobicContact CB-CD1 3.85Å; N2-I5 HydrophobicContact CB-CG1 4.07Å; N2-I5 PolarHBondContact O-N 3.25Å | ||
| 3 | L | 37.1 | Very low | 42.8 | Very low | 122 Ų | 122 | 87.7 Ų | 87.7 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -51.5 | -25.9 | 168.4 | -81.5 | 160.6 | 0 | 0 | 0 | 111.4 | M1 I5 A7 | M1-L3 HydrophobicContact CE-CD1 4.21Å; M1-L3 HydrophobicContact CG-CD1 4.37Å; M1-L3 HydrophobicContact SD-CD1 3.48Å; M1-L3 WeakPolarHBondContact SD-CD1 2.98Å; M1-L3 HydrophobicContact SD-CG 4.26Å; L3-I5 VanDerWaalsContact C-N 3.33Å; L3-I5 PolarHBondContact O-N 2.7Å; L3-A7 VanDerWaalsContact O-CB 3.24Å; L3-A7 WeakPolarHBondContact O-CB 3.41Å; L3-A7 PolarHBondContact O-N 3.02Å |
| 4 | S | 46.6 | Very low | 42.7 | Very low | 68 Ų | 68 | 88.2 Ų | 88.2 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -29.1 | 176 | 137.5 | 0 | 0 | 0 | 0 | 114.8 | N2 E8 | N2-S4 PolarHBondContact O-N 2.7Å; S4-E8 VanDerWaalsContact O-CB 3.31Å; S4-E8 WeakPolarHBondContact O-CB 3.45Å; S4-E8 VanDerWaalsContact O-CG 3.25Å; S4-E8 WeakPolarHBondContact O-CG 3.4Å; S4-E8 PolarHBondContact O-N 3.47Å |
| 5 | I | 44.4 | Very low | 42.6 | Very low | 33 Ų | 33 | 93.8 Ų | 93.8 | 17% | 0.169 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -81.8 | -43.7 | -180 | -62.8 | 169.1 | 0 | 0 | 0 | 110.3 | N2 L3 A7 E8 I9 | N2-I5 HydrophobicContact CB-CD1 3.85Å; N2-I5 HydrophobicContact CB-CG1 4.07Å; N2-I5 PolarHBondContact O-N 3.25Å; L3-I5 VanDerWaalsContact C-N 3.33Å; L3-I5 PolarHBondContact O-N 2.7Å; I5-A7 VanDerWaalsContact C-N 3.26Å; I5-A7 PolarHBondContact O-N 2.86Å; I5-E8 PolarHBondContact O-N 2.74Å; I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 HydrophobicContact CG2-CG1 4.43Å; I5-I9 WeakPolarHBondContact O-CB 3.3Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 2.8Å |
| 6 | A | 41.4 | Very low | 42.2 | Very low | 42 Ų | 42 | 92.1 Ų | 92.1 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L10 | A6-L10 VanDerWaalsContact O-CB 3.23Å; A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 WeakPolarHBondContact O-CD1 2.85Å; A6-L10 WeakPolarHBondContact O-CG 3.01Å; A6-L10 PolarHBondContact O-N 2.86Å |
| 7 | A | 45.9 | Very low | 41.8 | Very low | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3 I5 I9 L10 E11 | L3-A7 VanDerWaalsContact O-CB 3.24Å; L3-A7 WeakPolarHBondContact O-CB 3.41Å; L3-A7 PolarHBondContact O-N 3.02Å; I5-A7 VanDerWaalsContact C-N 3.26Å; I5-A7 PolarHBondContact O-N 2.86Å; A7-I9 VanDerWaalsContact C-N 3.32Å; A7-I9 PolarHBondContact O-N 3.1Å; A7-L10 CarbonylContact O-C 3.48Å; A7-L10 PolarHBondContact O-N 3.16Å; A7-E11 VanDerWaalsContact O-CB 3.24Å; A7-E11 WeakPolarHBondContact O-CB 3.39Å; A7-E11 PolarHBondContact O-N 3.25Å |
| 8 | E | 46.2 | Very low | 41.7 | Very low | 87 Ų | 87 | 98.9 Ų | 98.9 | 41% | 0.407 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -38.1 | 176.9 | -81.3 | 172.9 | -161.2 | 0 | 0 | 112 | S4 I5 A12 | S4-E8 VanDerWaalsContact O-CB 3.31Å; S4-E8 WeakPolarHBondContact O-CB 3.45Å; S4-E8 VanDerWaalsContact O-CG 3.25Å; S4-E8 WeakPolarHBondContact O-CG 3.4Å; S4-E8 PolarHBondContact O-N 3.47Å; I5-E8 PolarHBondContact O-N 2.74Å; E8-A12 WeakPolarHBondContact O-CB 3.22Å; E8-A12 PolarHBondContact O-N 3.13Å |
| 9 | I | 47.4 | Very low | 41.4 | Very low | 56 Ų | 56 | 98.4 Ų | 98.4 | 29% | 0.287 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 173.8 | -66.2 | 168.4 | 0 | 0 | 0 | 110.1 | I5 A7 E11 A12 L13 L43 | I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 HydrophobicContact CG2-CG1 4.43Å; I5-I9 WeakPolarHBondContact O-CB 3.3Å; I5-I9 VanDerWaalsContact O-CG1 3.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 2.8Å; A7-I9 VanDerWaalsContact C-N 3.32Å; A7-I9 PolarHBondContact O-N 3.1Å; I9-E11 VanDerWaalsContact C-N 3.3Å; I9-E11 PolarHBondContact O-N 3.38Å; I9-A12 PolarHBondContact O-N 3.08Å; I9-L13 HydrophobicContact CG2-CD1 3.95Å; I9-L13 WeakPolarHBondContact O-CB 3.29Å; I9-L13 WeakPolarHBondContact O-CD1 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.39Å; I9-L43 HydrophobicContact CG1-CD1 4.12Å |
| 10 | L | 45 | Very low | 41.1 | Very low | 116 Ų | 116 | 100.4 Ų | 100.4 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.2 | -25.8 | 177 | -74.9 | 168.4 | 0 | 0 | 0 | 113.7 | A6 A7 L13 P14 | A6-L10 VanDerWaalsContact O-CB 3.23Å; A6-L10 WeakPolarHBondContact O-CB 3.4Å; A6-L10 WeakPolarHBondContact O-CD1 2.85Å; A6-L10 WeakPolarHBondContact O-CG 3.01Å; A6-L10 PolarHBondContact O-N 2.86Å; A7-L10 CarbonylContact O-C 3.48Å; A7-L10 PolarHBondContact O-N 3.16Å; L10-L13 HydrophobicContact CD2-CD1 3.99Å; L10-P14 WeakPolarHBondContact O-CD 3.43Å |
| 11 | E | 50.6 | Low | 40.8 | Very low | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.673 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -82.5 | -31.4 | 176.2 | -170.8 | 172.9 | -163.1 | 0 | 0 | 111.4 | A7 I9 L13 P14 | A7-E11 VanDerWaalsContact O-CB 3.24Å; A7-E11 WeakPolarHBondContact O-CB 3.39Å; A7-E11 PolarHBondContact O-N 3.25Å; I9-E11 VanDerWaalsContact C-N 3.3Å; I9-E11 PolarHBondContact O-N 3.38Å; E11-L13 VanDerWaalsContact C-N 3.31Å; E11-P14 VanDerWaalsContact O-CD 3.24Å; E11-P14 WeakPolarHBondContact O-CD 3.44Å; E11-P14 WeakPolarHBondContact O-CG 3.42Å |
| 12 | A | 44.6 | Very low | 40.6 | Very low | 48 Ų | 48 | 94.7 Ų | 94.7 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.7 | -19.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E8 I9 | E8-A12 WeakPolarHBondContact O-CB 3.22Å; E8-A12 PolarHBondContact O-N 3.13Å; I9-A12 PolarHBondContact O-N 3.08Å |
| 13 | L | 37 | Very low | 40.6 | Very low | 77 Ų | 77 | 92 Ų | 92 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -72 | -38.1 | 179.8 | -83.4 | 164 | 0 | 0 | 0 | 115.5 | I9 L10 E11 E15 L16 | I9-L13 HydrophobicContact CG2-CD1 3.95Å; I9-L13 WeakPolarHBondContact O-CB 3.29Å; I9-L13 WeakPolarHBondContact O-CD1 3.24Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 3.39Å; L10-L13 HydrophobicContact CD2-CD1 3.99Å; E11-L13 VanDerWaalsContact C-N 3.31Å; L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.47Å; L13-L16 HydrophobicContact CD2-CD1 3.95Å; L13-L16 VanDerWaalsContact O-CB 3.28Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-L16 VanDerWaalsContact O-N 3.13Å |
| 14 | P | 40.9 | Very low | 40.6 | Very low | 95 Ų | 95 | 91.8 Ų | 91.8 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.2 | 178.2 | 23.3 | -34.6 | 0 | 0 | 0 | 113.7 | L10 E11 L16 | L10-P14 WeakPolarHBondContact O-CD 3.43Å; E11-P14 VanDerWaalsContact O-CD 3.24Å; E11-P14 WeakPolarHBondContact O-CD 3.44Å; E11-P14 WeakPolarHBondContact O-CG 3.42Å; P14-L16 PolarHBondContact O-N 3.26Å |
| 15 | E | 41.3 | Very low | 40.5 | Very low | 172 Ų | 172 | 98.3 Ų | 98.3 | 80% | 0.804 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.9 | 171.6 | -68.1 | -163.7 | 171.5 | 0 | 0 | 112.3 | L13 K17 | L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 3.47Å; E15-K17 PolarHBondContact O-N 2.61Å |
| 16 | L | 35.9 | Very low | 40.6 | Very low | 67 Ų | 67 | 105 Ų | 105 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | trans | -73.2 | 78.4 | 162.3 | -73.9 | 143.4 | 0 | 0 | 0 | 109 | L13 P14 L18 Y35 | L13-L16 HydrophobicContact CD2-CD1 3.95Å; L13-L16 VanDerWaalsContact O-CB 3.28Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-L16 VanDerWaalsContact O-N 3.13Å; P14-L16 PolarHBondContact O-N 3.26Å; L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.22Å; L16-Y35 HydrophobicContact CD1-CD1 4.37Å; L16-Y35 HydrophobicContact CD1-CE1 3.79Å; L16-Y35 HydrophobicContact CD2-CE1 4.46Å | ||
| 17 | K | 36.1 | Very low | 40.7 | Very low | 164 Ų | 164 | 107.3 Ų | 107.3 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | trans | -54.9 | 103.2 | 148.5 | -70.5 | -177.2 | 178.5 | 177.1 | 0 | 106.4 | E15 S19 N20 | E15-K17 PolarHBondContact O-N 2.61Å; K17-S19 WeakPolarHBondContact CB-OG 3.47Å; K17-S19 PolarHBondContact O-N 2.96Å; K17-N20 PolarHBondContact O-N 3.01Å | ||
| 18 | L | 39.1 | Very low | 40.6 | Very low | 143 Ų | 143 | 107.8 Ų | 107.8 | 75% | 0.749 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -53.8 | 0.2 | 170.7 | -75.9 | 159.2 | 0 | 0 | 0 | 113.3 | L16 N20 L21 | L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.22Å; L18-N20 VanDerWaalsContact C-N 3.32Å; L18-N20 PolarHBondContact O-N 3.27Å; L18-L21 HydrophobicContact CD2-CD1 3.9Å |
| 19 | S | 37.4 | Very low | 40.2 | Very low | 88 Ų | 88 | 106.2 Ų | 106.2 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -70.7 | -17.9 | 175.2 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | K17 | K17-S19 WeakPolarHBondContact CB-OG 3.47Å; K17-S19 PolarHBondContact O-N 2.96Å |
| 20 | N | 34.8 | Very low | 39.9 | Very low | 139 Ų | 139 | 112.8 Ų | 112.8 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -106.6 | 22.2 | -174.5 | -70.8 | -4.9 | 0 | 0 | 0 | 114.3 | K17 L18 P22 | K17-N20 PolarHBondContact O-N 3.01Å; L18-N20 VanDerWaalsContact C-N 3.32Å; L18-N20 PolarHBondContact O-N 3.27Å; N20-P22 WeakPolarHBondContact O-CD 3.43Å |
| 21 | L | 34.1 | Very low | 39.8 | Very low | 72 Ų | 72 | 110.8 Ų | 110.8 | 38% | 0.377 | 59% | 0.59 | S | S | . | * | trans | -90.1 | 102.4 | 170.4 | -76.4 | 163.9 | 0 | 0 | 0 | 109.9 | L18 G23 | L18-L21 HydrophobicContact CD2-CD1 3.9Å; L21-G23 PolarHBondContact O-N 3.24Å; L21-G23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | P | 31 | Very low | 39.6 | Very low | 116 Ų | 116 | 106.4 Ų | 106.4 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | trans | -74.5 | 98.9 | 166.4 | 30.7 | -32.4 | 0 | 0 | 0 | 108.1 | N20 | N20-P22 WeakPolarHBondContact O-CD 3.43Š| ||
| 23 | G | 35.4 | Very low | 39.9 | Very low | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 58% | 0.582 | S | S | . | * | trans | 177.2 | 116.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 N28 | L21-G23 PolarHBondContact O-N 3.24Å; L21-G23 VanDerWaalsContact O-N 3.13Å; G23-N28 PolarHBondContact O-OD1 3.33Å | ||
| 24 | T | 37.1 | Very low | 40.5 | Very low | 118 Ų | 118 | 108.2 Ų | 108.2 | 72% | 0.724 | 59% | 0.585 | S | S | * | * | trans | -51.8 | 151.3 | 170.6 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | E26 N27 | T24-E26 PolarHBondContact O-N 3.46Å; T24-N27 PolarHBondContact O-N 3.3Å; T24-N27 VanDerWaalsContact O-N 3.16Å | ||
| 25 | K | 44.6 | Very low | 41 | Very low | 205 Ų | 205 | 109.1 Ų | 109.1 | 89% | 0.891 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.7 | -4.5 | -162.3 | -70.1 | 176.4 | 176.3 | 172.3 | 0 | 118.7 | ||
| 26 | E | 47.8 | Very low | 41.5 | Very low | 175 Ų | 175 | 103.5 Ų | 103.5 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -23.5 | -177.9 | -67.5 | 178.5 | 167.8 | 0 | 0 | 113.4 | T24 | T24-E26 PolarHBondContact O-N 3.46Š|
| 27 | N | 41.7 | Very low | 42.5 | Very low | 90 Ų | 90 | 103.5 Ų | 103.5 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -95.5 | -5.9 | -174.2 | -76 | -16.7 | 0 | 0 | 0 | 115.2 | T24 G29 W30 Q31 | T24-N27 PolarHBondContact O-N 3.3Å; T24-N27 VanDerWaalsContact O-N 3.16Å; N27-G29 VanDerWaalsContact C-N 3.35Å; N27-G29 PolarHBondContact O-N 2.94Å; N27-W30 PolarHBondContact O-N 3.47Å; N27-Q31 WeakPolarHBondContact O-CG 3.47Å; N27-Q31 PolarHBondContact O-N 2.92Å; N27-Q31 VanDerWaalsContact O-N 3.1Å |
| 28 | N | 44.2 | Very low | 43.5 | Very low | 59 Ų | 59 | 99.3 Ų | 99.3 | 32% | 0.316 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.8 | -32 | -172.6 | -65.8 | -12.6 | 0 | 0 | 0 | 113.1 | G23 A32 | G23-N28 PolarHBondContact O-OD1 3.33Å; N28-A32 WeakPolarHBondContact O-CB 3.44Å; N28-A32 PolarHBondContact O-N 2.98Å |
| 29 | G | 39.2 | Very low | 44.5 | Very low | 55 Ų | 55 | 94 Ų | 94 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.5 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N27 A32 N33 | N27-G29 VanDerWaalsContact C-N 3.35Å; N27-G29 PolarHBondContact O-N 2.94Å; G29-A32 PolarHBondContact O-N 3.34Å; G29-N33 WeakPolarHBondContact O-CB 3.26Å; G29-N33 PolarHBondContact O-N 3.35Å |
| 30 | W | 39.4 | Very low | 45.5 | Very low | 193 Ų | 193 | 91.5 Ų | 91.5 | 73% | 0.731 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | 176.2 | -82.9 | 85.1 | 0 | 0 | 0 | 111.6 | N27 A32 N33 T34 | N27-W30 PolarHBondContact O-N 3.47Å; W30-A32 PolarHBondContact O-N 2.97Å; W30-N33 PolarHBondContact O-N 3.5Å; W30-T34 WeakPolarHBondContact O-CB 3.45Å; W30-T34 PolarHBondContact O-N 3.31Å; W30-T34 PolarHBondContact O-OG1 3.46Å |
| 31 | Q | 43.9 | Very low | 46.9 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.7 | -72.2 | 178.9 | -12.2 | 0 | 0 | 112.3 | N27 Y35 | N27-Q31 WeakPolarHBondContact O-CG 3.47Å; N27-Q31 PolarHBondContact O-N 2.92Å; N27-Q31 VanDerWaalsContact O-N 3.1Å; Q31-Y35 WeakPolarHBondContact O-CB 3.37Å; Q31-Y35 PolarHBondContact O-N 2.95Å |
| 32 | A | 46 | Very low | 48.3 | Very low | 52 Ų | 52 | 91.2 Ų | 91.2 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N28 G29 W30 Y35 C36 | N28-A32 WeakPolarHBondContact O-CB 3.44Å; N28-A32 PolarHBondContact O-N 2.98Å; G29-A32 PolarHBondContact O-N 3.34Å; W30-A32 PolarHBondContact O-N 2.97Å; A32-Y35 PolarHBondContact O-N 3.49Å; A32-C36 WeakPolarHBondContact O-CB 3.39Å; A32-C36 PolarHBondContact O-N 2.77Å; A32-C36 PolarHBondContact O-SG 3.39Å |
| 33 | N | 50.6 | Low | 49.6 | Very low | 86 Ų | 86 | 88.1 Ų | 88.1 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 178.8 | -164.6 | 17.9 | 0 | 0 | 0 | 111.4 | G29 W30 Y35 C36 T37 | G29-N33 WeakPolarHBondContact O-CB 3.26Å; G29-N33 PolarHBondContact O-N 3.35Å; W30-N33 PolarHBondContact O-N 3.5Å; N33-Y35 VanDerWaalsContact C-N 3.31Å; N33-Y35 PolarHBondContact O-N 2.96Å; N33-C36 PolarHBondContact O-N 2.84Å; N33-T37 WeakPolarHBondContact O-CG2 3.37Å; N33-T37 PolarHBondContact O-N 3.37Å; N33-T37 PolarHBondContact O-OG1 3.4Å |
| 34 | T | 50.4 | Low | 51 | Low | 77 Ų | 77 | 91.1 Ų | 91.1 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | W30 T37 T38 | W30-T34 WeakPolarHBondContact O-CB 3.45Å; W30-T34 PolarHBondContact O-N 3.31Å; W30-T34 PolarHBondContact O-OG1 3.46Å; T34-T37 WeakPolarHBondContact CA-OG1 3.26Å; T34-T37 PolarHBondContact O-N 3.4Å; T34-T37 PolarHBondContact O-OG1 3.35Å; T34-T38 WeakPolarHBondContact O-CG2 3.25Å; T34-T38 PolarHBondContact O-N 3.19Å; T34-T38 PolarHBondContact O-OG1 3.31Å |
| 35 | Y | 50.8 | Low | 52.5 | Low | 115 Ų | 115 | 89 Ų | 89 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.2 | -175.4 | -96.9 | 0 | 0 | 0 | 113 | L16 Q31 A32 N33 T37 T38 V39 | L16-Y35 HydrophobicContact CD1-CD1 4.37Å; L16-Y35 HydrophobicContact CD1-CE1 3.79Å; L16-Y35 HydrophobicContact CD2-CE1 4.46Å; Q31-Y35 WeakPolarHBondContact O-CB 3.37Å; Q31-Y35 PolarHBondContact O-N 2.95Å; A32-Y35 PolarHBondContact O-N 3.49Å; N33-Y35 VanDerWaalsContact C-N 3.31Å; N33-Y35 PolarHBondContact O-N 2.96Å; Y35-T37 VanDerWaalsContact C-N 3.3Å; Y35-T37 PolarHBondContact O-N 2.86Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.42Å; Y35-T38 PolarHBondContact O-N 3.36Å; Y35-T38 PolarHBondContact O-OG1 2.89Å; Y35-V39 HydrophobicContact CD1-CG2 4.09Å; Y35-V39 HydrophobicContact CE1-CG2 3.62Å; Y35-V39 HydrophobicContact CE2-CG2 4.11Å; Y35-V39 WeakPolarHBondContact O-CG2 3.21Å; Y35-V39 PolarHBondContact O-N 2.9Å |
| 36 | C | 51.2 | Low | 53.6 | Low | 53 Ų | 53 | 84 Ų | 84 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.8 | -73.4 | 0 | 0 | 0 | 0 | 111.8 | A32 N33 A40 | A32-C36 WeakPolarHBondContact O-CB 3.39Å; A32-C36 PolarHBondContact O-N 2.77Å; A32-C36 PolarHBondContact O-SG 3.39Å; N33-C36 PolarHBondContact O-N 2.84Å; C36-A40 VanDerWaalsContact O-CB 3.25Å; C36-A40 WeakPolarHBondContact O-CB 3.29Å; C36-A40 PolarHBondContact O-N 3.48Å |
| 37 | T | 57.6 | Low | 54.5 | Low | 68 Ų | 68 | 78.4 Ų | 78.4 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | N33 T34 Y35 V39 A40 D41 | N33-T37 WeakPolarHBondContact O-CG2 3.37Å; N33-T37 PolarHBondContact O-N 3.37Å; N33-T37 PolarHBondContact O-OG1 3.4Å; T34-T37 WeakPolarHBondContact CA-OG1 3.26Å; T34-T37 PolarHBondContact O-N 3.4Å; T34-T37 PolarHBondContact O-OG1 3.35Å; Y35-T37 VanDerWaalsContact C-N 3.3Å; Y35-T37 PolarHBondContact O-N 2.86Å; T37-V39 PolarHBondContact O-N 2.71Å; T37-A40 PolarHBondContact O-N 3.25Å; T37-D41 WeakPolarHBondContact O-CB 3.2Å; T37-D41 PolarHBondContact O-N 2.91Å |
| 38 | T | 57.5 | Low | 56 | Low | 75 Ų | 75 | 80.2 Ų | 80.2 | 46% | 0.46 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | T34 Y35 D41 E42 | T34-T38 WeakPolarHBondContact O-CG2 3.25Å; T34-T38 PolarHBondContact O-N 3.19Å; T34-T38 PolarHBondContact O-OG1 3.31Å; Y35-T38 WeakPolarHBondContact CA-OG1 3.42Å; Y35-T38 PolarHBondContact O-N 3.36Å; Y35-T38 PolarHBondContact O-OG1 2.89Å; T38-D41 PolarHBondContact O-N 2.92Å; T38-E42 WeakPolarHBondContact O-CB 3.33Å; T38-E42 PolarHBondContact O-N 3.26Å |
| 39 | V | 59 | Low | 57.1 | Low | 33 Ų | 33 | 84.6 Ų | 84.6 | 20% | 0.2 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | Y35 T37 D41 E42 L43 | Y35-V39 HydrophobicContact CD1-CG2 4.09Å; Y35-V39 HydrophobicContact CE1-CG2 3.62Å; Y35-V39 HydrophobicContact CE2-CG2 4.11Å; Y35-V39 WeakPolarHBondContact O-CG2 3.21Å; Y35-V39 PolarHBondContact O-N 2.9Å; T37-V39 PolarHBondContact O-N 2.71Å; V39-D41 VanDerWaalsContact C-N 3.35Å; V39-D41 PolarHBondContact O-N 3.3Å; V39-E42 PolarHBondContact O-N 3.02Å; V39-L43 HydrophobicContact CG1-CD1 4.01Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CB 3.3Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 3.38Å |
| 40 | A | 59.9 | Low | 58.5 | Low | 34 Ų | 34 | 89.7 Ų | 89.7 | 28% | 0.281 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C36 T37 L43 L44 | C36-A40 VanDerWaalsContact O-CB 3.25Å; C36-A40 WeakPolarHBondContact O-CB 3.29Å; C36-A40 PolarHBondContact O-N 3.48Å; T37-A40 PolarHBondContact O-N 3.25Å; A40-L43 PolarHBondContact O-N 3.35Å; A40-L44 WeakPolarHBondContact O-CB 3.48Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.02Å |
| 41 | D | 62.4 | Low | 60 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 177.4 | -78.2 | -22.7 | 0 | 0 | 0 | 112.4 | T37 T38 V39 L44 S45 | T37-D41 WeakPolarHBondContact O-CB 3.2Å; T37-D41 PolarHBondContact O-N 2.91Å; T38-D41 PolarHBondContact O-N 2.92Å; V39-D41 VanDerWaalsContact C-N 3.35Å; V39-D41 PolarHBondContact O-N 3.3Å; D41-L44 PolarHBondContact O-N 3.49Å; D41-S45 VanDerWaalsContact O-CB 3.3Å; D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 2.9Å |
| 42 | E | 63.8 | Low | 61.4 | Low | 103 Ų | 103 | 91.6 Ų | 91.6 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.8 | -160.8 | -167.9 | 156.4 | 0 | 0 | 111.3 | T38 V39 S45 K46 | T38-E42 WeakPolarHBondContact O-CB 3.33Å; T38-E42 PolarHBondContact O-N 3.26Å; V39-E42 PolarHBondContact O-N 3.02Å; E42-S45 WeakPolarHBondContact O-CB 3.45Å; E42-S45 PolarHBondContact O-N 3.27Å; E42-K46 WeakPolarHBondContact O-CB 3.18Å; E42-K46 WeakPolarHBondContact O-CG 3.28Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE1-CE 3.46Å; E42-K46 IonicContact OE1-NZ 2.64Å; E42-K46 PolarHBondContact OE1-NZ 2.87Å |
| 43 | L | 59.6 | Low | 62.5 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.2 | -71.3 | 176.6 | 0 | 0 | 0 | 112 | I9 V39 A40 S45 K46 K47 | I9-L43 HydrophobicContact CG1-CD1 4.12Å; V39-L43 HydrophobicContact CG1-CD1 4.01Å; V39-L43 HydrophobicContact CG1-CG 4.36Å; V39-L43 WeakPolarHBondContact O-CB 3.3Å; V39-L43 VanDerWaalsContact O-CG 3.29Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 3.38Å; A40-L43 PolarHBondContact O-N 3.35Å; L43-S45 VanDerWaalsContact C-N 3.35Å; L43-K46 PolarHBondContact O-N 2.86Å; L43-K47 VanDerWaalsContact O-CB 3.27Å; L43-K47 WeakPolarHBondContact O-CB 3.04Å; L43-K47 PolarHBondContact O-N 3.49Å |
| 44 | L | 64.5 | Low | 63.7 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 174.4 | -76.3 | 172.6 | 0 | 0 | 0 | 111.4 | A40 D41 K47 K48 | A40-L44 WeakPolarHBondContact O-CB 3.48Å; A40-L44 VanDerWaalsContact O-CG 3.24Å; A40-L44 WeakPolarHBondContact O-CG 3.48Å; A40-L44 PolarHBondContact O-N 3.02Å; D41-L44 PolarHBondContact O-N 3.49Å; L44-K47 PolarHBondContact O-N 3.17Å; L44-K48 VanDerWaalsContact O-CB 3.31Å; L44-K48 WeakPolarHBondContact O-CB 3.23Å; L44-K48 PolarHBondContact O-N 3.44Å |
| 45 | S | 67.6 | Low | 64.9 | Low | 75 Ų | 75 | 104 Ų | 104 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | D41 E42 L43 K47 K48 Y49 | D41-S45 VanDerWaalsContact O-CB 3.3Å; D41-S45 WeakPolarHBondContact O-CB 3.47Å; D41-S45 PolarHBondContact O-N 2.9Å; E42-S45 WeakPolarHBondContact O-CB 3.45Å; E42-S45 PolarHBondContact O-N 3.27Å; L43-S45 VanDerWaalsContact C-N 3.35Å; S45-K47 VanDerWaalsContact C-N 3.31Å; S45-K47 PolarHBondContact O-N 3.27Å; S45-K48 WeakPolarHBondContact O-CB 3.35Å; S45-K48 PolarHBondContact O-N 2.93Å; S45-K48 VanDerWaalsContact O-N 3.15Å; S45-Y49 WeakPolarHBondContact O-CB 3.37Å; S45-Y49 PolarHBondContact O-N 3.49Å |
| 46 | K | 67.4 | Low | 65.9 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.9 | -42.1 | 173.9 | -75.7 | 174.2 | -177.7 | 166.1 | 0 | 111.5 | E42 L43 Y49 R50 | E42-K46 WeakPolarHBondContact O-CB 3.18Å; E42-K46 WeakPolarHBondContact O-CG 3.28Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE1-CE 3.46Å; E42-K46 IonicContact OE1-NZ 2.64Å; E42-K46 PolarHBondContact OE1-NZ 2.87Å; L43-K46 PolarHBondContact O-N 2.86Å; K46-Y49 PolarHBondContact O-N 3.46Å; K46-R50 WeakPolarHBondContact O-CB 3.2Å; K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.24Å; K46-R50 PolarHBondContact O-N 3.31Å |
| 47 | K | 68.7 | Low | 66.8 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 26% | 0.257 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 177 | -168.4 | 176.2 | -171.4 | 173.7 | 0 | 112.1 | L43 L44 S45 Y49 R50 R51 | L43-K47 VanDerWaalsContact O-CB 3.27Å; L43-K47 WeakPolarHBondContact O-CB 3.04Å; L43-K47 PolarHBondContact O-N 3.49Å; L44-K47 PolarHBondContact O-N 3.17Å; S45-K47 VanDerWaalsContact C-N 3.31Å; S45-K47 PolarHBondContact O-N 3.27Å; K47-Y49 VanDerWaalsContact C-N 3.35Å; K47-R50 PolarHBondContact O-N 3.45Å; K47-R51 WeakPolarHBondContact O-CB 3.38Å; K47-R51 VanDerWaalsContact O-CG 3.28Å; K47-R51 WeakPolarHBondContact O-CG 3.42Å; K47-R51 PolarHBondContact O-N 3.36Å |
| 48 | K | 72.1 | Confident | 67.7 | Low | 128 Ų | 128 | 109.7 Ų | 109.7 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 174.7 | -169.4 | 178.1 | -178.9 | -179.2 | 0 | 110.5 | L44 S45 R51 R52 | L44-K48 VanDerWaalsContact O-CB 3.31Å; L44-K48 WeakPolarHBondContact O-CB 3.23Å; L44-K48 PolarHBondContact O-N 3.44Å; S45-K48 WeakPolarHBondContact O-CB 3.35Å; S45-K48 PolarHBondContact O-N 2.93Å; S45-K48 VanDerWaalsContact O-N 3.15Å; K48-R51 PolarHBondContact O-N 2.74Å; K48-R52 WeakPolarHBondContact O-CG 3.47Å; K48-R52 PolarHBondContact O-N 2.88Å |
| 49 | Y | 68.5 | Low | 68.4 | Low | 150 Ų | 150 | 112 Ų | 112 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -51.8 | 173.7 | 179.3 | -104.3 | 0 | 0 | 0 | 112 | S45 K46 K47 R51 R52 K53 | S45-Y49 WeakPolarHBondContact O-CB 3.37Å; S45-Y49 PolarHBondContact O-N 3.49Å; K46-Y49 PolarHBondContact O-N 3.46Å; K47-Y49 VanDerWaalsContact C-N 3.35Å; Y49-R51 VanDerWaalsContact C-N 3.27Å; Y49-R51 PolarHBondContact O-N 2.82Å; Y49-R52 WeakPolarHBondContact O-CB 3.26Å; Y49-R52 PolarHBondContact O-N 2.86Å; Y49-K53 PolarHBondContact O-N 2.8Å |
| 50 | R | 67.1 | Low | 68.5 | Low | 163 Ų | 163 | 116.1 Ų | 116.1 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -55 | -42.3 | 174.9 | -74.4 | 177.7 | 179.1 | -176.2 | 0.9 | 111.6 | K46 K47 K53 K54 | K46-R50 WeakPolarHBondContact O-CB 3.2Å; K46-R50 VanDerWaalsContact O-CG 3.32Å; K46-R50 WeakPolarHBondContact O-CG 3.24Å; K46-R50 PolarHBondContact O-N 3.31Å; K47-R50 PolarHBondContact O-N 3.45Å; R50-K53 PolarHBondContact O-N 3.35Å; R50-K54 WeakPolarHBondContact O-CG 3.17Å; R50-K54 PolarHBondContact O-N 2.62Å |
| 51 | R | 72.1 | Confident | 68.9 | Low | 150 Ų | 150 | 120.7 Ų | 120.7 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 175.3 | -75.8 | 173.8 | 174 | -179.8 | -1.6 | 112.5 | K47 K48 Y49 K54 R55 | K47-R51 WeakPolarHBondContact O-CB 3.38Å; K47-R51 VanDerWaalsContact O-CG 3.28Å; K47-R51 WeakPolarHBondContact O-CG 3.42Å; K47-R51 PolarHBondContact O-N 3.36Å; K48-R51 PolarHBondContact O-N 2.74Å; Y49-R51 VanDerWaalsContact C-N 3.27Å; Y49-R51 PolarHBondContact O-N 2.82Å; R51-K54 PolarHBondContact O-N 3.26Å; R51-R55 WeakPolarHBondContact O-CG 3.48Å; R51-R55 PolarHBondContact O-N 2.97Å |
| 52 | R | 73.2 | Confident | 69.5 | Low | 157 Ų | 157 | 121 Ų | 121 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 174.9 | -78.3 | 178.8 | 173.4 | 178 | -2.8 | 111.1 | K48 Y49 R55 K56 | K48-R52 WeakPolarHBondContact O-CG 3.47Å; K48-R52 PolarHBondContact O-N 2.88Å; Y49-R52 WeakPolarHBondContact O-CB 3.26Å; Y49-R52 PolarHBondContact O-N 2.86Å; R52-R55 PolarHBondContact O-N 2.82Å; R52-K56 PolarHBondContact O-N 3.47Å |
| 53 | K | 69.1 | Low | 69.3 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.8 | -49.9 | 175.5 | -169.5 | 175.1 | -178.8 | 177.4 | 0 | 111.3 | Y49 R50 R55 K56 V57 | Y49-K53 PolarHBondContact O-N 2.8Å; R50-K53 PolarHBondContact O-N 3.35Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 3.36Å; K53-K56 PolarHBondContact O-N 3.41Å; K53-K56 VanDerWaalsContact O-N 3.16Å; K53-V57 WeakPolarHBondContact O-CG2 3.47Å; K53-V57 PolarHBondContact O-N 2.86Å |
| 54 | K | 75.2 | Confident | 69.4 | Low | 162 Ų | 162 | 124.8 Ų | 124.8 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -57.6 | -39.7 | 175.5 | -75 | -175.5 | 178.8 | -172.4 | 0 | 112.9 | R50 R51 K58 | R50-K54 WeakPolarHBondContact O-CG 3.17Å; R50-K54 PolarHBondContact O-N 2.62Å; R51-K54 PolarHBondContact O-N 3.26Å; K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.41Å |
| 55 | R | 76.5 | Confident | 69.4 | Low | 186 Ų | 186 | 128.8 Ų | 128.8 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 175.9 | -73.6 | 177.8 | -176.6 | -179.1 | 1.5 | 112.5 | R51 R52 K53 K58 K59 | R51-R55 WeakPolarHBondContact O-CG 3.48Å; R51-R55 PolarHBondContact O-N 2.97Å; R52-R55 PolarHBondContact O-N 2.82Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-R55 PolarHBondContact O-N 3.36Å; R55-K58 PolarHBondContact O-N 3.37Å; R55-K59 WeakPolarHBondContact O-CB 3.23Å; R55-K59 PolarHBondContact O-N 2.96Å |
| 56 | K | 71.1 | Confident | 69.3 | Low | 153 Ų | 153 | 130.2 Ų | 130.2 | 67% | 0.665 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.3 | -48.6 | 175.3 | -75.3 | -172.7 | 176 | -173.3 | 0 | 111 | R52 K53 K58 K59 L60 | R52-K56 PolarHBondContact O-N 3.47Å; K53-K56 PolarHBondContact O-N 3.41Å; K53-K56 VanDerWaalsContact O-N 3.16Å; K56-K58 PolarHBondContact O-N 2.94Å; K56-K59 WeakPolarHBondContact O-CB 3.27Å; K56-K59 PolarHBondContact O-N 3.13Å; K56-K59 VanDerWaalsContact O-N 3.13Å; K56-L60 WeakPolarHBondContact O-CG 3.31Å; K56-L60 PolarHBondContact O-N 2.64Å |
| 57 | V | 69.9 | Low | 68.9 | Low | 67 Ų | 67 | 130.6 Ų | 130.6 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.3 | -47.2 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | K53 K59 L60 Q61 | K53-V57 WeakPolarHBondContact O-CG2 3.47Å; K53-V57 PolarHBondContact O-N 2.86Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 3.43Å; V57-L60 PolarHBondContact O-N 3.32Å; V57-Q61 WeakPolarHBondContact O-CG 3.43Å; V57-Q61 PolarHBondContact O-N 2.87Å |
| 58 | K | 76.1 | Confident | 68 | Low | 135 Ų | 135 | 132.3 Ų | 132.3 | 59% | 0.587 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.1 | -37.2 | 177.1 | -171.8 | 171.7 | -177.2 | 171.6 | 0 | 112.4 | K54 R55 K56 Q61 M62 | K54-K58 WeakPolarHBondContact O-CB 3.46Å; K54-K58 PolarHBondContact O-N 3.41Å; R55-K58 PolarHBondContact O-N 3.37Å; K56-K58 PolarHBondContact O-N 2.94Å; K58-Q61 PolarHBondContact O-N 3.35Å; K58-M62 WeakPolarHBondContact O-CG 3.41Å; K58-M62 PolarHBondContact O-N 3.41Å |
| 59 | K | 72.3 | Confident | 67.3 | Low | 123 Ų | 123 | 130.8 Ų | 130.8 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.9 | -44.4 | 175.8 | -167.7 | 179.8 | 178.9 | -172.7 | 0 | 111.2 | R55 K56 V57 M62 W63 | R55-K59 WeakPolarHBondContact O-CB 3.23Å; R55-K59 PolarHBondContact O-N 2.96Å; K56-K59 WeakPolarHBondContact O-CB 3.27Å; K56-K59 PolarHBondContact O-N 3.13Å; K56-K59 VanDerWaalsContact O-N 3.13Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 3.43Å; K59-M62 PolarHBondContact O-N 3.03Å; K59-W63 VanDerWaalsContact O-CD1 3.24Å; K59-W63 PolarHBondContact O-N 3.2Å |
| 60 | L | 62.3 | Low | 66.6 | Low | 121 Ų | 121 | 127.8 Ų | 127.8 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 175.3 | -70.1 | 170.1 | 0 | 0 | 0 | 112 | K56 V57 M62 W63 S64 | K56-L60 WeakPolarHBondContact O-CG 3.31Å; K56-L60 PolarHBondContact O-N 2.64Å; V57-L60 PolarHBondContact O-N 3.32Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 PolarHBondContact O-N 3.13Å; L60-W63 PolarHBondContact O-N 3.32Å; L60-S64 WeakPolarHBondContact O-CB 3.37Å; L60-S64 PolarHBondContact O-N 3.43Å |
| 61 | Q | 68.1 | Low | 65.4 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.9 | -39.5 | 174.4 | -76 | -179.4 | -24.3 | 0 | 0 | 112.5 | V57 K58 R65 | V57-Q61 WeakPolarHBondContact O-CG 3.43Å; V57-Q61 PolarHBondContact O-N 2.87Å; K58-Q61 PolarHBondContact O-N 3.35Å; Q61-R65 VanDerWaalsContact O-CB 3.3Å; Q61-R65 WeakPolarHBondContact O-CB 3.24Å; Q61-R65 PolarHBondContact O-N 3.16Å |
| 62 | M | 73.9 | Confident | 64.1 | Low | 109 Ų | 109 | 127 Ų | 127 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.9 | -37.4 | 175 | -72.5 | -174.4 | -55.2 | 0 | 0 | 112 | K58 K59 L60 H66 | K58-M62 WeakPolarHBondContact O-CG 3.41Å; K58-M62 PolarHBondContact O-N 3.41Å; K59-M62 PolarHBondContact O-N 3.03Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 PolarHBondContact O-N 3.13Å; M62-H66 WeakPolarHBondContact O-CB 3.44Å; M62-H66 PolarHBondContact O-N 3.1Å |
| 63 | W | 60 | Low | 62.7 | Low | 161 Ų | 161 | 128.6 Ų | 128.6 | 61% | 0.61 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -49.5 | 175.2 | -85.3 | 46 | 0 | 0 | 0 | 111.6 | K59 L60 R65 H66 E67 | K59-W63 VanDerWaalsContact O-CD1 3.24Å; K59-W63 PolarHBondContact O-N 3.2Å; L60-W63 PolarHBondContact O-N 3.32Å; W63-R65 VanDerWaalsContact C-N 3.28Å; W63-R65 PolarHBondContact O-N 3.11Å; W63-H66 CarbonylContact O-C 3.57Å; W63-H66 WeakPolarHBondContact O-CA 3.5Å; W63-H66 WeakPolarHBondContact O-CB 3.43Å; W63-H66 PolarHBondContact O-N 2.97Å; W63-E67 PolarHBondContact O-N 2.93Å |
| 64 | S | 60.8 | Low | 61.5 | Low | 73 Ų | 73 | 130.9 Ų | 130.9 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.5 | -40.7 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | L60 E67 L68 | L60-S64 WeakPolarHBondContact O-CB 3.37Å; L60-S64 PolarHBondContact O-N 3.43Å; S64-E67 PolarHBondContact O-N 3.15Å; S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 2.82Å; S64-L68 PolarHBondContact O-N 3.36Å |
| 65 | R | 64.7 | Low | 60 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -38.1 | 173.4 | -173.8 | 176.5 | 177.3 | -178.2 | 0.3 | 112.5 | Q61 W63 M69 | Q61-R65 VanDerWaalsContact O-CB 3.3Å; Q61-R65 WeakPolarHBondContact O-CB 3.24Å; Q61-R65 PolarHBondContact O-N 3.16Å; W63-R65 VanDerWaalsContact C-N 3.28Å; W63-R65 PolarHBondContact O-N 3.11Å; R65-M69 WeakPolarHBondContact O-CG 3.32Å; R65-M69 PolarHBondContact O-N 2.97Å |
| 66 | H | 65.4 | Low | 58.3 | Low | 105 Ų | 105 | 123.2 Ų | 123.2 | 49% | 0.486 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.9 | -44.2 | 176.3 | 179.4 | -95.7 | 0 | 0 | 0 | 111.7 | M62 W63 M69 L70 | M62-H66 WeakPolarHBondContact O-CB 3.44Å; M62-H66 PolarHBondContact O-N 3.1Å; W63-H66 CarbonylContact O-C 3.57Å; W63-H66 WeakPolarHBondContact O-CA 3.5Å; W63-H66 WeakPolarHBondContact O-CB 3.43Å; W63-H66 PolarHBondContact O-N 2.97Å; H66-M69 HydrophobicContact CB-CE 4.36Å; H66-M69 WeakPolarHBondContact O-CB 3.24Å; H66-M69 PolarHBondContact O-N 2.68Å; H66-L70 WeakPolarHBondContact O-CG 3.31Å; H66-L70 PolarHBondContact O-N 3.5Å |
| 67 | E | 59.6 | Low | 56.8 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 50% | 0.495 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.7 | -45 | 172.6 | -73.8 | 179.2 | 172.5 | 0 | 0 | 111.4 | W63 S64 M69 L70 H71 | W63-E67 PolarHBondContact O-N 2.93Å; S64-E67 PolarHBondContact O-N 3.15Å; E67-M69 VanDerWaalsContact C-N 3.29Å; E67-M69 PolarHBondContact O-N 2.89Å; E67-L70 WeakPolarHBondContact O-CA 3.39Å; E67-L70 WeakPolarHBondContact O-CB 3.25Å; E67-L70 PolarHBondContact O-N 3.15Å; E67-H71 PolarHBondContact O-CD2 2.96Å; E67-H71 PolarHBondContact O-N 3.07Å |
| 68 | L | 48.9 | Very low | 55.4 | Low | 95 Ų | 95 | 125.9 Ų | 125.9 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.9 | -40.7 | 174.5 | -164.8 | 94 | 0 | 0 | 0 | 111.7 | S64 L70 H71 Q72 | S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 2.82Å; S64-L68 PolarHBondContact O-N 3.36Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-H71 PolarHBondContact O-N 3.39Å; L68-Q72 VanDerWaalsContact CD2-NE2 3.31Å; L68-Q72 VanDerWaalsContact O-CB 3.31Å; L68-Q72 WeakPolarHBondContact O-CB 3.24Å; L68-Q72 WeakPolarHBondContact O-CG 3.42Å; L68-Q72 PolarHBondContact O-N 2.95Å |
| 69 | M | 59 | Low | 53.8 | Low | 96 Ų | 96 | 125.9 Ų | 125.9 | 47% | 0.473 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.2 | -35.5 | 174.2 | -75.3 | -173.3 | -60.5 | 0 | 0 | 112.4 | R65 H66 E67 R73 | R65-M69 WeakPolarHBondContact O-CG 3.32Å; R65-M69 PolarHBondContact O-N 2.97Å; H66-M69 HydrophobicContact CB-CE 4.36Å; H66-M69 WeakPolarHBondContact O-CB 3.24Å; H66-M69 PolarHBondContact O-N 2.68Å; E67-M69 VanDerWaalsContact C-N 3.29Å; E67-M69 PolarHBondContact O-N 2.89Å; M69-R73 WeakPolarHBondContact O-CG 3.28Å; M69-R73 PolarHBondContact O-N 3.42Å; M69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | L | 53.1 | Low | 52.2 | Low | 86 Ų | 86 | 127.4 Ų | 127.4 | 45% | 0.45 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 174.5 | -69.4 | 174.5 | 0 | 0 | 0 | 111.4 | H66 E67 L68 | H66-L70 WeakPolarHBondContact O-CG 3.31Å; H66-L70 PolarHBondContact O-N 3.5Å; E67-L70 WeakPolarHBondContact O-CA 3.39Å; E67-L70 WeakPolarHBondContact O-CB 3.25Å; E67-L70 PolarHBondContact O-N 3.15Å; L68-L70 VanDerWaalsContact C-N 3.33Å |
| 71 | H | 41.4 | Very low | 50.9 | Low | 160 Ų | 160 | 125.6 Ų | 125.6 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.7 | -29.8 | 175.6 | -72.9 | -67.9 | 0 | 0 | 0 | 113.6 | E67 L68 R73 | E67-H71 PolarHBondContact O-CD2 2.96Å; E67-H71 PolarHBondContact O-N 3.07Å; L68-H71 PolarHBondContact O-N 3.39Å; H71-R73 VanDerWaalsContact C-N 3.35Å |
| 72 | Q | 44.5 | Very low | 49.1 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 65% | 0.645 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.9 | -8.8 | 175.6 | -77.1 | -173.5 | 20.9 | 0 | 0 | 113.9 | L68 K74 | L68-Q72 VanDerWaalsContact CD2-NE2 3.31Å; L68-Q72 VanDerWaalsContact O-CB 3.31Å; L68-Q72 WeakPolarHBondContact O-CB 3.24Å; L68-Q72 WeakPolarHBondContact O-CG 3.42Å; L68-Q72 PolarHBondContact O-N 2.95Å; Q72-K74 PolarHBondContact O-N 3.44Å |
| 73 | R | 45 | Very low | 47 | Very low | 189 Ų | 189 | 125.1 Ų | 125.1 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -64.2 | 96.9 | 164.4 | -79.6 | 178 | -179.9 | -172.7 | -1.2 | 107 | M69 H71 | M69-R73 WeakPolarHBondContact O-CG 3.28Å; M69-R73 PolarHBondContact O-N 3.42Å; M69-R73 VanDerWaalsContact O-N 3.1Å; H71-R73 VanDerWaalsContact C-N 3.35Å |
| 74 | K | 43 | Very low | 45.4 | Very low | 176 Ų | 176 | 122.2 Ų | 122.2 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 130.1 | 160 | -75.1 | -177.5 | 176.3 | -175.6 | 0 | 106.4 | Q72 | Q72-K74 PolarHBondContact O-N 3.44Š|
| 75 | P | 43.3 | Very low | 43.8 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 62% | 0.623 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.8 | 173.8 | 22.7 | -31 | 0 | 0 | 0 | 107.6 | E77 | P75-E77 PolarHBondContact O-N 2.81Å; P75-E77 VanDerWaalsContact O-N 3.1Å |
| 76 | P | 41.5 | Very low | 42.1 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 59% | 0.591 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 127.3 | 177 | 22.7 | -31.9 | 0 | 0 | 0 | 107.9 | N78 | P76-N78 PolarHBondContact O-N 3.35Š|
| 77 | E | 39.2 | Very low | 40.2 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | trans | -64.6 | 82.4 | 166.6 | -72.3 | 177.6 | -179.1 | 0 | 0 | 106.3 | P75 | P75-E77 PolarHBondContact O-N 2.81Å; P75-E77 VanDerWaalsContact O-N 3.1Å | ||
| 78 | N | 40.1 | Very low | 38.6 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | trans | -76.8 | 126.4 | 169.7 | -82.9 | -15.8 | 0 | 0 | 0 | 107 | P76 E80 | P76-N78 PolarHBondContact O-N 3.35Å; N78-E80 PolarHBondContact O-N 2.87Å | ||
| 79 | P | 44.5 | Very low | 37.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -68.3 | -1.1 | -176.5 | 26.3 | -33.9 | 0 | 0 | 0 | 114.3 | ||
| 80 | E | 37.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -119.5 | 121.6 | 170.8 | -63 | -178.4 | 177 | 0 | 0 | 106.6 | N78 V82 | N78-E80 PolarHBondContact O-N 2.87Å; E80-V82 PolarHBondContact O-N 2.81Å |
| 81 | G | 35.3 | Very low | 34.8 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -62.3 | 54.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | T83 | G81-T83 PolarHBondContact O-N 3.33Š| ||
| 82 | V | 30.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -88 | 94.1 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | E80 V84 | E80-V82 PolarHBondContact O-N 2.81Å; V82-V84 PolarHBondContact O-N 3.15Å | ||
| 83 | T | 29.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -64.1 | 99.9 | 174 | 12.4 | 0 | 0 | 0 | 0 | 109.6 | G81 R85 | G81-T83 PolarHBondContact O-N 3.33Å; T83-R85 VanDerWaalsContact C-N 3.26Å; T83-R85 PolarHBondContact O-N 3.29Å | ||
| 84 | V | 26.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | trans | -71.7 | 84 | 169 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | V82 S86 | V82-V84 PolarHBondContact O-N 3.15Å; V84-S86 PolarHBondContact O-N 2.83Å | ||
| 85 | R | 26.7 | Very low | 32.8 | Very low | 223 Ų | 223 | 133.3 Ų | 133.3 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -70.5 | 115.7 | 169.1 | -81.8 | -173.9 | 175.4 | -167.5 | -0.6 | 108.3 | T83 V87 | T83-R85 VanDerWaalsContact C-N 3.26Å; T83-R85 PolarHBondContact O-N 3.29Å; R85-V87 PolarHBondContact O-N 3.36Å | ||
| 86 | S | 30.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -58.3 | 115.6 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | V84 L88 | V84-S86 PolarHBondContact O-N 2.83Å; S86-L88 PolarHBondContact O-N 2.84Å | ||
| 87 | V | 25.5 | Very low | 32.5 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | -74.1 | 82 | 169.3 | -174 | 0 | 0 | 0 | 0 | 107.9 | R85 | R85-V87 PolarHBondContact O-N 3.36Š| ||
| 88 | L | 24.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -148.4 | 48.9 | 175.3 | -119 | 165 | 0 | 0 | 0 | 109.9 | S86 | S86-L88 PolarHBondContact O-N 2.84Š| ||
| 89 | C | 23 | Very low | 33 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -152.3 | 75.8 | 167 | -85.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 90 | E | 26.8 | Very low | 33.1 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | -126.8 | 117.8 | 157 | -97 | -174.7 | 174.9 | 0 | 0 | 109.4 | ||||
| 91 | N | 32.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | 80.4 | 59.6 | 147.4 | -47.2 | -16.9 | 0 | 0 | 0 | 115.9 | E93 | N91-E93 PolarHBondContact O-N 3.43Å; N91-E93 VanDerWaalsContact O-N 3.09Å | ||
| 92 | I | 30.2 | Very low | 34.1 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | trans | -75.2 | 69.7 | 135.4 | -53 | 174.9 | 0 | 0 | 0 | 105.9 | N94 | I92-N94 PolarHBondContact O-N 2.83Å; I92-N94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | E | 32.7 | Very low | 34.7 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | -60.7 | 116.4 | 150.1 | -83.9 | -177 | 166.4 | 0 | 0 | 104.7 | N91 K95 | N91-E93 PolarHBondContact O-N 3.43Å; N91-E93 VanDerWaalsContact O-N 3.09Å; E93-K95 PolarHBondContact O-N 3.36Å | ||
| 94 | N | 34.5 | Very low | 35.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -55.9 | 78.1 | 162.2 | -68.4 | -37.9 | 0 | 0 | 0 | 108.1 | I92 T96 | I92-N94 PolarHBondContact O-N 2.83Å; I92-N94 VanDerWaalsContact O-N 3.16Å; N94-T96 PolarHBondContact O-N 3.04Å | ||
| 95 | K | 34.5 | Very low | 36.5 | Very low | 161 Ų | 161 | 134 Ų | 134 | 70% | 0.7 | 69% | 0.691 | S | S | * | * | trans | -68.3 | 97.1 | 147.9 | -68.7 | -176.1 | -178.2 | 179.5 | 0 | 103.1 | E93 I97 | E93-K95 PolarHBondContact O-N 3.36Å; K95-I97 HydrophobicContact CB-CG1 4.27Å; K95-I97 PolarHBondContact O-N 3.43Å | ||
| 96 | T | 37.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | trans | -44.8 | 86.3 | 145.6 | 33.4 | 0 | 0 | 0 | 0 | 106.4 | N94 D98 | N94-T96 PolarHBondContact O-N 3.04Å; T96-D98 PolarHBondContact O-N 3.17Å | ||
| 97 | I | 41.2 | Very low | 37.8 | Very low | 105 Ų | 105 | 127 Ų | 127 | 54% | 0.538 | 67% | 0.666 | S | S | . | * | trans | -72.9 | 98.8 | 164.9 | -62.5 | 170.2 | 0 | 0 | 0 | 101.6 | K95 E99 A101 L102 | K95-I97 HydrophobicContact CB-CG1 4.27Å; K95-I97 PolarHBondContact O-N 3.43Å; I97-E99 PolarHBondContact O-N 3.4Å; I97-E99 VanDerWaalsContact O-N 3.09Å; I97-A101 HydrophobicContact CG2-CB 4.29Å; I97-L102 HydrophobicContact CB-CD1 4.35Å; I97-L102 HydrophobicContact CG2-CD1 3.77Å; I97-L102 HydrophobicContact CG2-CG 3.95Å | ||
| 98 | D | 38 | Very low | 38.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | trans | -40.1 | 122 | 171.1 | -61.6 | -45.2 | 0 | 0 | 0 | 107.7 | T96 E100 A101 | T96-D98 PolarHBondContact O-N 3.17Å; D98-E100 PolarHBondContact O-N 2.73Å; D98-A101 PolarHBondContact O-N 2.72Å | ||
| 99 | E | 50.5 | Low | 39.4 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -53 | -21.4 | -176.7 | -77.6 | -171 | 132.9 | 0 | 0 | 112.2 | I97 L102 K103 | I97-E99 PolarHBondContact O-N 3.4Å; I97-E99 VanDerWaalsContact O-N 3.09Å; E99-L102 PolarHBondContact O-N 3.24Å; E99-K103 PolarHBondContact O-N 3.04Å |
| 100 | E | 46.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -36.9 | 172.6 | -113.3 | -179.6 | 163.9 | 0 | 0 | 114.3 | D98 L102 K103 S104 | D98-E100 PolarHBondContact O-N 2.73Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-K103 PolarHBondContact O-N 3.42Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.48Å; E100-S104 PolarHBondContact O-OG 2.96Å |
| 101 | A | 46.6 | Very low | 40.7 | Very low | 47 Ų | 47 | 123.1 Ų | 123.1 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.7 | -29.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I97 D98 S104 K105 | I97-A101 HydrophobicContact CG2-CB 4.29Å; D98-A101 PolarHBondContact O-N 2.72Å; A101-S104 WeakPolarHBondContact CA-OG 3.32Å; A101-S104 PolarHBondContact O-OG 3.13Å; A101-S104 VanDerWaalsContact O-OG 3.13Å; A101-K105 PolarHBondContact O-N 3.33Å |
| 102 | L | 48.2 | Very low | 40.9 | Very low | 108 Ų | 108 | 121.3 Ų | 121.3 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.7 | -40.5 | 173.3 | -91.4 | 157.1 | 0 | 0 | 0 | 111.7 | I97 E99 E100 K105 A106 | I97-L102 HydrophobicContact CB-CD1 4.35Å; I97-L102 HydrophobicContact CG2-CD1 3.77Å; I97-L102 HydrophobicContact CG2-CG 3.95Å; E99-L102 PolarHBondContact O-N 3.24Å; E100-L102 VanDerWaalsContact C-N 3.34Å; L102-K105 PolarHBondContact O-N 3.4Å; L102-A106 WeakPolarHBondContact O-CB 3.44Å; L102-A106 PolarHBondContact O-N 2.97Å |
| 103 | K | 43.7 | Very low | 41.1 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.2 | -44.3 | 174.1 | -78.1 | 176.9 | 179.5 | 169.5 | 0 | 112.1 | E99 E100 K105 A106 Q107 | E99-K103 PolarHBondContact O-N 3.04Å; E100-K103 PolarHBondContact O-N 3.42Å; K103-K105 PolarHBondContact O-N 2.83Å; K103-A106 PolarHBondContact O-N 3.46Å; K103-Q107 WeakPolarHBondContact O-CB 3.48Å; K103-Q107 PolarHBondContact O-N 3Å |
| 104 | S | 48 | Very low | 41 | Very low | 62 Ų | 62 | 118.7 Ų | 118.7 | 43% | 0.434 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.4 | -33.2 | 179.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | E100 A101 R108 | E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.48Å; E100-S104 PolarHBondContact O-OG 2.96Å; A101-S104 WeakPolarHBondContact CA-OG 3.32Å; A101-S104 PolarHBondContact O-OG 3.13Å; A101-S104 VanDerWaalsContact O-OG 3.13Å; S104-R108 PolarHBondContact O-N 3.05Å; S104-R108 VanDerWaalsContact O-N 3.11Å |
| 105 | K | 44.5 | Very low | 41 | Very low | 164 Ų | 164 | 118.7 Ų | 118.7 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.9 | -37.8 | 171.8 | -85.2 | 179.1 | 177.5 | 171.7 | 0 | 113 | A101 L102 K103 Q107 S109 | A101-K105 PolarHBondContact O-N 3.33Å; L102-K105 PolarHBondContact O-N 3.4Å; K103-K105 PolarHBondContact O-N 2.83Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; K105-S109 PolarHBondContact O-N 3.35Å |
| 106 | A | 43.4 | Very low | 41.1 | Very low | 52 Ų | 52 | 114.8 Ų | 114.8 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L102 K103 S109 E110 | L102-A106 WeakPolarHBondContact O-CB 3.44Å; L102-A106 PolarHBondContact O-N 2.97Å; K103-A106 PolarHBondContact O-N 3.46Å; A106-S109 PolarHBondContact O-N 3.05Å; A106-S109 VanDerWaalsContact O-N 3.1Å; A106-S109 PolarHBondContact O-OG 2.91Å; A106-E110 PolarHBondContact O-N 3.34Å; A106-E110 VanDerWaalsContact O-N 3.16Å |
| 107 | Q | 40.9 | Very low | 40.8 | Very low | 128 Ų | 128 | 116.8 Ų | 116.8 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.6 | -34.8 | -179.4 | -149.2 | 165.3 | 8.4 | 0 | 0 | 113 | K103 K105 S109 E110 N111 | K103-Q107 WeakPolarHBondContact O-CB 3.48Å; K103-Q107 PolarHBondContact O-N 3Å; K105-Q107 VanDerWaalsContact C-N 3.34Å; Q107-S109 VanDerWaalsContact C-N 3.28Å; Q107-S109 PolarHBondContact O-N 3.43Å; Q107-E110 PolarHBondContact O-N 2.65Å; Q107-N111 PolarHBondContact O-N 2.79Å |
| 108 | R | 42.9 | Very low | 40.4 | Very low | 205 Ų | 205 | 118.5 Ų | 118.5 | 77% | 0.774 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.5 | -31 | 169.9 | -82.4 | -175.2 | 177.3 | 175.3 | 1 | 113 | S104 S112 | S104-R108 PolarHBondContact O-N 3.05Å; S104-R108 VanDerWaalsContact O-N 3.11Å; R108-S112 WeakPolarHBondContact O-CB 3.38Å; R108-S112 PolarHBondContact O-N 2.93Å; R108-S112 VanDerWaalsContact O-N 3.17Å |
| 109 | S | 41.8 | Very low | 40.3 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 43% | 0.434 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -77.4 | -28.9 | 178.9 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | K105 A106 Q107 S112 L113 | K105-S109 PolarHBondContact O-N 3.35Å; A106-S109 PolarHBondContact O-N 3.05Å; A106-S109 VanDerWaalsContact O-N 3.1Å; A106-S109 PolarHBondContact O-OG 2.91Å; Q107-S109 VanDerWaalsContact C-N 3.28Å; Q107-S109 PolarHBondContact O-N 3.43Å; S109-S112 PolarHBondContact O-N 2.89Å; S109-L113 PolarHBondContact O-N 3.38Å; S109-L113 VanDerWaalsContact O-N 3.13Å |
| 110 | E | 40.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -41.8 | 173 | -76.2 | -177.1 | 157.4 | 0 | 0 | 111.5 | A106 Q107 S112 L113 L114 | A106-E110 PolarHBondContact O-N 3.34Å; A106-E110 VanDerWaalsContact O-N 3.16Å; Q107-E110 PolarHBondContact O-N 2.65Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 3.4Å; E110-L113 PolarHBondContact O-N 2.93Å; E110-L114 PolarHBondContact O-N 3.48Å |
| 111 | N | 35.4 | Very low | 39 | Very low | 106 Ų | 106 | 114 Ų | 114 | 57% | 0.567 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.5 | -30.5 | 176.2 | -67.9 | -9.6 | 0 | 0 | 0 | 112.6 | Q107 | Q107-N111 PolarHBondContact O-N 2.79Å |
| 112 | S | 36.9 | Very low | 38.2 | Very low | 83 Ų | 83 | 114.9 Ų | 114.9 | 58% | 0.58 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.2 | -25.1 | 176.3 | -178.8 | 0 | 0 | 0 | 0 | 113.6 | R108 S109 E110 | R108-S112 WeakPolarHBondContact O-CB 3.38Å; R108-S112 PolarHBondContact O-N 2.93Å; R108-S112 VanDerWaalsContact O-N 3.17Å; S109-S112 PolarHBondContact O-N 2.89Å; E110-S112 VanDerWaalsContact C-N 3.33Å; E110-S112 PolarHBondContact O-N 3.4Å |
| 113 | L | 34.4 | Very low | 37.5 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.2 | -29.7 | 178.1 | -108.6 | 157 | 0 | 0 | 0 | 112.4 | S109 E110 | S109-L113 PolarHBondContact O-N 3.38Å; S109-L113 VanDerWaalsContact O-N 3.13Å; E110-L113 PolarHBondContact O-N 2.93Å |
| 114 | L | 31.7 | Very low | 36.9 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.2 | -35.4 | 175.8 | -78.5 | 164.2 | 0 | 0 | 0 | 112.3 | E110 A116 | E110-L114 PolarHBondContact O-N 3.48Å; L114-A116 PolarHBondContact O-N 2.93Å |
| 115 | N | 34.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -8.9 | 178.9 | -77.1 | 1.4 | 0 | 0 | 0 | 114.9 | ||
| 116 | A | 34.7 | Very low | 35.7 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 4.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L114 | L114-A116 PolarHBondContact O-N 2.93Š|
| 117 | M | 31.9 | Very low | 35.3 | Very low | 165 Ų | 165 | 120 Ų | 120 | 81% | 0.813 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -100 | 4.2 | 176 | -89.3 | -165.9 | 170.3 | 0 | 0 | 114.6 | ||
| 118 | D | 31.9 | Very low | 35.1 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -97.2 | 137.1 | -179.2 | -97.1 | -31.6 | 0 | 0 | 0 | 114.2 | ||
| 119 | V | 37.8 | Very low | 34.5 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 58% | 0.582 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 95.2 | -44.1 | 164.6 | -156.8 | 0 | 0 | 0 | 0 | 119.6 | V121 | V119-V121 PolarHBondContact O-N 2.83Š|
| 120 | N | 32.4 | Very low | 34.2 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 0.6 | -171.1 | -78.6 | 14.7 | 0 | 0 | 0 | 117.1 | ||
| 121 | V | 35.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 62% | 0.624 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -21 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | V119 I125 | V119-V121 PolarHBondContact O-N 2.83Å; V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.38Å |
| 122 | A | 31.5 | Very low | 33.8 | Very low | 65 Ų | 65 | 118.6 Ų | 118.6 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D124 I125 | A122-D124 VanDerWaalsContact C-N 3.34Å; A122-D124 PolarHBondContact O-N 2.83Å; A122-I125 PolarHBondContact O-N 2.88Å |
| 123 | E | 32 | Very low | 33.4 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 65% | 0.654 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.7 | -36.2 | 178.6 | -69.6 | -176.5 | 162.8 | 0 | 0 | 112.1 | I125 | E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.09Å |
| 124 | D | 32.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.8 | -17.5 | 177.6 | -99.4 | -0.2 | 0 | 0 | 0 | 113.7 | A122 V128 | A122-D124 VanDerWaalsContact C-N 3.34Å; A122-D124 PolarHBondContact O-N 2.83Å; D124-V128 VanDerWaalsContact O-CG2 3.3Å; D124-V128 WeakPolarHBondContact O-CG2 3.39Å |
| 125 | I | 33.6 | Very low | 33 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 52% | 0.518 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -88 | -35.8 | -179 | -68 | 169.5 | 0 | 0 | 0 | 111.2 | V121 A122 E123 D127 V128 | V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.38Å; A122-I125 PolarHBondContact O-N 2.88Å; E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.09Å; I125-D127 VanDerWaalsContact C-N 3.35Å; I125-V128 PolarHBondContact O-N 3.05Å |
| 126 | L | 33.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 119 Ų | 119 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.5 | -31.8 | -179.9 | -68.3 | 175 | 0 | 0 | 0 | 112.1 | V128 L129 | L126-V128 PolarHBondContact O-N 2.77Å; L126-L129 HydrophobicContact CD2-CD1 4.39Å; L126-L129 PolarHBondContact O-N 3.16Å |
| 127 | D | 33.9 | Very low | 32.4 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -10.6 | 174.3 | -78.1 | -10.1 | 0 | 0 | 0 | 113.9 | I125 | I125-D127 VanDerWaalsContact C-N 3.35Š|
| 128 | V | 38 | Very low | 32.7 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 61% | 0.612 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 9.7 | -177.5 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | D124 I125 L126 P130 | D124-V128 VanDerWaalsContact O-CG2 3.3Å; D124-V128 WeakPolarHBondContact O-CG2 3.39Å; I125-V128 PolarHBondContact O-N 3.05Å; L126-V128 PolarHBondContact O-N 2.77Å; V128-P130 VanDerWaalsContact C-CD 3.44Å; V128-P130 WeakPolarHBondContact O-CD 3.44Å |
| 129 | L | 29.7 | Very low | 32.7 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -82 | 91.2 | 155.1 | -77 | 162.4 | 0 | 0 | 0 | 106.2 | L126 E131 | L126-L129 HydrophobicContact CD2-CD1 4.39Å; L126-L129 PolarHBondContact O-N 3.16Å; L129-E131 PolarHBondContact O-N 3.03Å; L129-E131 VanDerWaalsContact O-N 3.08Å |
| 130 | P | 36 | Very low | 32.5 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | trans | -54.3 | 128 | 165.1 | 26.1 | -32.5 | 0 | 0 | 0 | 105.2 | V128 L132 | V128-P130 VanDerWaalsContact C-CD 3.44Å; V128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-L132 PolarHBondContact O-N 3.31Å | ||
| 131 | E | 33.3 | Very low | 32.8 | Very low | 184 Ų | 184 | 116.3 Ų | 116.3 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | trans | -36.8 | 89 | 169.5 | -67 | 168.4 | 164.5 | 0 | 0 | 108 | L129 E133 | L129-E131 PolarHBondContact O-N 3.03Å; L129-E131 VanDerWaalsContact O-N 3.08Å; E131-E133 PolarHBondContact O-N 3.23Å | ||
| 132 | L | 33.5 | Very low | 32.8 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 58% | 0.581 | 67% | 0.667 | S | S | * | * | trans | -77.9 | 80.5 | 175.4 | -123 | 135.4 | 0 | 0 | 0 | 100.3 | P130 L134 | P130-L132 PolarHBondContact O-N 3.31Å; L132-L134 HydrophobicContact CD2-CD2 3.77Å; L132-L134 HydrophobicContact CD2-CG 4.23Å; L132-L134 PolarHBondContact O-N 3.49Å | ||
| 133 | E | 29.5 | Very low | 33 | Very low | 159 Ų | 159 | 119.5 Ų | 119.5 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | trans | -55.4 | 85.2 | 157.3 | -71.5 | -167.6 | 158.6 | 0 | 0 | 104.9 | E131 S135 | E131-E133 PolarHBondContact O-N 3.23Å; E133-S135 PolarHBondContact O-N 3.06Å; E133-S135 PolarHBondContact O-OG 3.27Å | ||
| 134 | L | 31.5 | Very low | 33.3 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | trans | -65.8 | 64.2 | 164.7 | -69.5 | 164.5 | 0 | 0 | 0 | 106.1 | L132 A136 | L132-L134 HydrophobicContact CD2-CD2 3.77Å; L132-L134 HydrophobicContact CD2-CG 4.23Å; L132-L134 PolarHBondContact O-N 3.49Å; L134-A136 PolarHBondContact O-N 3.16Å | ||
| 135 | S | 26.2 | Very low | 33.6 | Very low | 94 Ų | 94 | 116 Ų | 116 | 66% | 0.657 | 66% | 0.655 | S | S | * | * | trans | -67.8 | 87.8 | 161.2 | 32.2 | 0 | 0 | 0 | 0 | 104.7 | E133 P137 | E133-S135 PolarHBondContact O-N 3.06Å; E133-S135 PolarHBondContact O-OG 3.27Å; S135-P137 WeakPolarHBondContact O-CD 3.41Å | ||
| 136 | A | 27.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -51.2 | 106 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L134 S138 | L134-A136 PolarHBondContact O-N 3.16Å; A136-S138 PolarHBondContact O-N 2.96Å | ||
| 137 | P | 29.9 | Very low | 34.3 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | trans | -72.8 | 110.1 | 171.3 | -6.8 | 25.5 | 0 | 0 | 0 | 105.1 | S135 G139 | S135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-G139 VanDerWaalsContact C-N 3.31Å; P137-G139 PolarHBondContact O-N 2.95Å | ||
| 138 | S | 38 | Very low | 34.8 | Very low | 129 Ų | 129 | 115 Ų | 115 | 90% | 0.902 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -58.8 | 91.8 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | A136 | A136-S138 PolarHBondContact O-N 2.96Š|
| 139 | G | 32 | Very low | 35.2 | Very low | 44 Ų | 44 | 114.1 Ų | 114.1 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | S | Bend | trans | 170.1 | 96.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | P137 N143 | P137-G139 VanDerWaalsContact C-N 3.31Å; P137-G139 PolarHBondContact O-N 2.95Å; G139-N143 PolarHBondContact O-ND2 2.94Å |
| 140 | T | 33.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | trans | 66.4 | 113.3 | 164 | 63.4 | 0 | 0 | 0 | 0 | 118.4 | E142 N143 | T140-E142 PolarHBondContact O-N 2.72Å; T140-N143 PolarHBondContact O-N 3.47Å; T140-N143 PolarHBondContact OG1-ND2 2.68Å | ||
| 141 | K | 38.6 | Very low | 36.4 | Very low | 194 Ų | 194 | 112.7 Ų | 112.7 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -50.5 | -22.1 | 176.9 | -72.9 | 177.9 | 176.7 | 176.1 | 0 | 115.2 | N143 | K141-N143 VanDerWaalsContact C-N 3.32Å |
| 142 | E | 35.2 | Very low | 36.9 | Very low | 151 Ų | 151 | 106.1 Ų | 106.1 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.6 | -34.4 | 177.4 | -65.9 | -177.4 | 165.4 | 0 | 0 | 111.9 | T140 N144 W146 | T140-E142 PolarHBondContact O-N 2.72Å; E142-N144 PolarHBondContact O-N 3.03Å; E142-W146 VanDerWaalsContact O-CD1 3.3Å; E142-W146 PolarHBondContact O-N 3.45Å |
| 143 | N | 35.4 | Very low | 37.7 | Very low | 83 Ų | 83 | 103.6 Ų | 103.6 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.9 | -33.2 | -177.7 | -76.6 | -24.6 | 0 | 0 | 0 | 112.8 | G139 T140 K141 W146 Q147 | G139-N143 PolarHBondContact O-ND2 2.94Å; T140-N143 PolarHBondContact O-N 3.47Å; T140-N143 PolarHBondContact OG1-ND2 2.68Å; K141-N143 VanDerWaalsContact C-N 3.32Å; N143-W146 PolarHBondContact O-N 3.23Å; N143-Q147 WeakPolarHBondContact O-CB 3.32Å; N143-Q147 VanDerWaalsContact O-CG 3.29Å; N143-Q147 WeakPolarHBondContact O-CG 3.37Å; N143-Q147 PolarHBondContact O-N 2.93Å |
| 144 | N | 39.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 97 Ų | 97 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.8 | -41.6 | -176.2 | -71.5 | -1.1 | 0 | 0 | 0 | 112.6 | E142 Q147 A148 | E142-N144 PolarHBondContact O-N 3.03Å; N144-Q147 PolarHBondContact O-N 3.36Å; N144-A148 WeakPolarHBondContact O-CB 3.47Å; N144-A148 PolarHBondContact O-N 2.88Å |
| 145 | C | 38.7 | Very low | 39.1 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -41.3 | 175.3 | -72.6 | 0 | 0 | 0 | 0 | 111.1 | Q147 A148 V149 | C145-Q147 PolarHBondContact O-N 3.13Å; C145-A148 PolarHBondContact O-N 3.09Å; C145-V149 WeakPolarHBondContact O-CB 3.48Å; C145-V149 VanDerWaalsContact O-CG2 3.24Å; C145-V149 WeakPolarHBondContact O-CG2 3.46Å; C145-V149 PolarHBondContact O-N 2.94Å |
| 146 | W | 39.5 | Very low | 40 | Very low | 182 Ų | 182 | 91.1 Ų | 91.1 | 69% | 0.689 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -38.5 | 176.9 | -88.7 | 102.3 | 0 | 0 | 0 | 113 | E142 N143 S150 | E142-W146 VanDerWaalsContact O-CD1 3.3Å; E142-W146 PolarHBondContact O-N 3.45Å; N143-W146 PolarHBondContact O-N 3.23Å; W146-S150 WeakPolarHBondContact O-CB 3.36Å; W146-S150 PolarHBondContact O-N 3.4Å; W146-S150 PolarHBondContact O-OG 3.44Å |
| 147 | Q | 41.9 | Very low | 40.8 | Very low | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -43.7 | 174.6 | -76.1 | 177.9 | -10.7 | 0 | 0 | 111.8 | N143 N144 C145 S150 Y151 | N143-Q147 WeakPolarHBondContact O-CB 3.32Å; N143-Q147 VanDerWaalsContact O-CG 3.29Å; N143-Q147 WeakPolarHBondContact O-CG 3.37Å; N143-Q147 PolarHBondContact O-N 2.93Å; N144-Q147 PolarHBondContact O-N 3.36Å; C145-Q147 PolarHBondContact O-N 3.13Å; Q147-S150 PolarHBondContact O-N 3.43Å; Q147-Y151 WeakPolarHBondContact O-CB 3.47Å; Q147-Y151 PolarHBondContact O-N 2.98Å |
| 148 | A | 44.1 | Very low | 41.6 | Very low | 53 Ų | 53 | 88.5 Ų | 88.5 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N144 C145 Y151 C152 | N144-A148 WeakPolarHBondContact O-CB 3.47Å; N144-A148 PolarHBondContact O-N 2.88Å; C145-A148 PolarHBondContact O-N 3.09Å; A148-Y151 PolarHBondContact O-N 3.46Å; A148-C152 WeakPolarHBondContact O-CB 3.49Å; A148-C152 PolarHBondContact O-N 3.26Å; A148-C152 PolarHBondContact O-SG 3.2Å |
| 149 | V | 45.5 | Very low | 42 | Very low | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | C145 Y151 C152 T153 | C145-V149 WeakPolarHBondContact O-CB 3.48Å; C145-V149 VanDerWaalsContact O-CG2 3.24Å; C145-V149 WeakPolarHBondContact O-CG2 3.46Å; C145-V149 PolarHBondContact O-N 2.94Å; V149-Y151 VanDerWaalsContact C-N 3.34Å; V149-Y151 PolarHBondContact O-N 3.42Å; V149-C152 PolarHBondContact O-N 3.17Å; V149-T153 WeakPolarHBondContact O-CB 3.42Å; V149-T153 PolarHBondContact O-N 2.96Å; V149-T153 PolarHBondContact O-OG1 3.16Å |
| 150 | S | 43.4 | Very low | 42.6 | Very low | 67 Ų | 67 | 87.3 Ų | 87.3 | 47% | 0.469 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | W146 Q147 T153 A154 | W146-S150 WeakPolarHBondContact O-CB 3.36Å; W146-S150 PolarHBondContact O-N 3.4Å; W146-S150 PolarHBondContact O-OG 3.44Å; Q147-S150 PolarHBondContact O-N 3.43Å; S150-T153 PolarHBondContact O-N 3.26Å; S150-A154 VanDerWaalsContact O-CB 3.26Å; S150-A154 WeakPolarHBondContact O-CB 3.47Å; S150-A154 PolarHBondContact O-N 3.29Å |
| 151 | Y | 48.1 | Very low | 43.2 | Very low | 106 Ų | 106 | 85.2 Ų | 85.2 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -50.6 | 174.6 | -178 | -98 | 0 | 0 | 0 | 111.5 | Q147 A148 V149 T153 A154 V155 L160 | Q147-Y151 WeakPolarHBondContact O-CB 3.47Å; Q147-Y151 PolarHBondContact O-N 2.98Å; A148-Y151 PolarHBondContact O-N 3.46Å; V149-Y151 VanDerWaalsContact C-N 3.34Å; V149-Y151 PolarHBondContact O-N 3.42Å; Y151-T153 VanDerWaalsContact C-N 3.27Å; Y151-T153 PolarHBondContact O-N 2.91Å; Y151-A154 CarbonylContact O-C 3.57Å; Y151-A154 PolarHBondContact O-N 3.43Å; Y151-V155 HydrophobicContact CD1-CG2 3.96Å; Y151-V155 HydrophobicContact CE1-CG2 3.55Å; Y151-V155 HydrophobicContact CE2-CG2 4.17Å; Y151-V155 HydrophobicContact CG-CG2 4.43Å; Y151-V155 WeakPolarHBondContact O-CG2 3.45Å; Y151-V155 PolarHBondContact O-N 3Å; Y151-L160 HydrophobicContact CD2-CD1 3.47Å; Y151-L160 VanDerWaalsContact CD2-CD1 3.47Å; Y151-L160 HydrophobicContact CE2-CD1 3.4Å; Y151-L160 VanDerWaalsContact CE2-CD1 3.4Å; Y151-L160 HydrophobicContact CG-CD1 4.27Å |
| 152 | C | 44.5 | Very low | 43.6 | Very low | 45 Ų | 45 | 85.5 Ų | 85.5 | 30% | 0.304 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | 177 | -73.1 | 0 | 0 | 0 | 0 | 111.9 | A148 V149 V155 A156 | A148-C152 WeakPolarHBondContact O-CB 3.49Å; A148-C152 PolarHBondContact O-N 3.26Å; A148-C152 PolarHBondContact O-SG 3.2Å; V149-C152 PolarHBondContact O-N 3.17Å; C152-V155 PolarHBondContact O-N 3.5Å; C152-A156 WeakPolarHBondContact O-CB 3.43Å; C152-A156 PolarHBondContact O-N 2.82Å |
| 153 | T | 48.9 | Very low | 44.1 | Very low | 59 Ų | 59 | 85.9 Ų | 85.9 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 176 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | V149 S150 Y151 A156 D157 | V149-T153 WeakPolarHBondContact O-CB 3.42Å; V149-T153 PolarHBondContact O-N 2.96Å; V149-T153 PolarHBondContact O-OG1 3.16Å; S150-T153 PolarHBondContact O-N 3.26Å; Y151-T153 VanDerWaalsContact C-N 3.27Å; Y151-T153 PolarHBondContact O-N 2.91Å; T153-A156 PolarHBondContact O-N 3.16Å; T153-D157 VanDerWaalsContact O-CB 3.23Å; T153-D157 WeakPolarHBondContact O-CB 3.33Å; T153-D157 PolarHBondContact O-N 3.39Å |
| 154 | A | 43.2 | Very low | 44.1 | Very low | 20 Ų | 20 | 87 Ų | 87 | 17% | 0.165 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S150 Y151 G158 S159 L160 | S150-A154 VanDerWaalsContact O-CB 3.26Å; S150-A154 WeakPolarHBondContact O-CB 3.47Å; S150-A154 PolarHBondContact O-N 3.29Å; Y151-A154 CarbonylContact O-C 3.57Å; Y151-A154 PolarHBondContact O-N 3.43Å; A154-G158 PolarHBondContact O-N 3.28Å; A154-G158 VanDerWaalsContact O-N 3.15Å; A154-S159 WeakPolarHBondContact CA-OG 3.49Å; A154-S159 VanDerWaalsContact CB-OG 3.26Å; A154-S159 WeakPolarHBondContact CB-OG 3.4Å; A154-S159 PolarHBondContact O-N 3.5Å; A154-S159 PolarHBondContact O-OG 3.47Å; A154-L160 HydrophobicContact CB-CD1 3.64Å; A154-L160 HydrophobicContact CB-CG 3.79Å; A154-L160 PolarHBondContact O-N 3.13Å |
| 155 | V | 48.5 | Very low | 43.9 | Very low | 70 Ų | 70 | 91.5 Ų | 91.5 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -47.7 | 171.4 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | Y151 C152 D157 G158 L160 | Y151-V155 HydrophobicContact CD1-CG2 3.96Å; Y151-V155 HydrophobicContact CE1-CG2 3.55Å; Y151-V155 HydrophobicContact CE2-CG2 4.17Å; Y151-V155 HydrophobicContact CG-CG2 4.43Å; Y151-V155 WeakPolarHBondContact O-CG2 3.45Å; Y151-V155 PolarHBondContact O-N 3Å; C152-V155 PolarHBondContact O-N 3.5Å; V155-D157 VanDerWaalsContact C-N 3.34Å; V155-D157 PolarHBondContact O-N 3.01Å; V155-G158 WeakPolarHBondContact O-CA 3.3Å; V155-G158 PolarHBondContact O-N 3.09Å; V155-L160 HydrophobicContact CG2-CD1 3.6Å |
| 156 | A | 44 | Very low | 43.7 | Very low | 40 Ų | 40 | 93 Ų | 93 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C152 T153 G158 | C152-A156 WeakPolarHBondContact O-CB 3.43Å; C152-A156 PolarHBondContact O-N 2.82Å; T153-A156 PolarHBondContact O-N 3.16Å; A156-G158 PolarHBondContact O-N 3.39Å |
| 157 | D | 45.5 | Very low | 43.8 | Very low | 106 Ų | 106 | 94.5 Ų | 94.5 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.8 | 172.9 | -78.6 | -25.7 | 0 | 0 | 0 | 112.5 | T153 V155 S159 | T153-D157 VanDerWaalsContact O-CB 3.23Å; T153-D157 WeakPolarHBondContact O-CB 3.33Å; T153-D157 PolarHBondContact O-N 3.39Å; V155-D157 VanDerWaalsContact C-N 3.34Å; V155-D157 PolarHBondContact O-N 3.01Å; D157-S159 PolarHBondContact O-N 3.24Å |
| 158 | G | 45.2 | Very low | 43.6 | Very low | 23 Ų | 23 | 99.7 Ų | 99.7 | 24% | 0.237 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 16.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A154 V155 A156 L160 S161 | A154-G158 PolarHBondContact O-N 3.28Å; A154-G158 VanDerWaalsContact O-N 3.15Å; V155-G158 WeakPolarHBondContact O-CA 3.3Å; V155-G158 PolarHBondContact O-N 3.09Å; A156-G158 PolarHBondContact O-N 3.39Å; G158-L160 VanDerWaalsContact C-N 3.32Å; G158-S161 WeakPolarHBondContact O-CB 3.46Å; G158-S161 PolarHBondContact O-N 3.37Å; G158-S161 VanDerWaalsContact O-N 3.15Å; G158-S161 PolarHBondContact O-OG 3.48Å |
| 159 | S | 46.6 | Very low | 43.3 | Very low | 57 Ų | 57 | 107.2 Ų | 107.2 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -31.2 | 178.6 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | A154 D157 S161 N164 | A154-S159 WeakPolarHBondContact CA-OG 3.49Å; A154-S159 VanDerWaalsContact CB-OG 3.26Å; A154-S159 WeakPolarHBondContact CB-OG 3.4Å; A154-S159 PolarHBondContact O-N 3.5Å; A154-S159 PolarHBondContact O-OG 3.47Å; D157-S159 PolarHBondContact O-N 3.24Å; S159-S161 VanDerWaalsContact C-N 3.28Å; S159-S161 PolarHBondContact O-N 3.13Å; S159-N164 WeakPolarHBondContact CA-ND2 3.3Å |
| 160 | L | 45.6 | Very low | 43.3 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -9.4 | 171.2 | -70.3 | 167.7 | 0 | 0 | 0 | 113.6 | Y151 A154 V155 G158 K162 | Y151-L160 HydrophobicContact CD2-CD1 3.47Å; Y151-L160 VanDerWaalsContact CD2-CD1 3.47Å; Y151-L160 HydrophobicContact CE2-CD1 3.4Å; Y151-L160 VanDerWaalsContact CE2-CD1 3.4Å; Y151-L160 HydrophobicContact CG-CD1 4.27Å; A154-L160 HydrophobicContact CB-CD1 3.64Å; A154-L160 HydrophobicContact CB-CG 3.79Å; A154-L160 PolarHBondContact O-N 3.13Å; V155-L160 HydrophobicContact CG2-CD1 3.6Å; G158-L160 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.02Å |
| 161 | S | 45.2 | Very low | 43.2 | Very low | 53 Ų | 53 | 120 Ų | 120 | 37% | 0.371 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -67.6 | 129 | 170.7 | 89.2 | 0 | 0 | 0 | 0 | 108.3 | G158 S159 K163 N164 | G158-S161 WeakPolarHBondContact O-CB 3.46Å; G158-S161 PolarHBondContact O-N 3.37Å; G158-S161 VanDerWaalsContact O-N 3.15Å; G158-S161 PolarHBondContact O-OG 3.48Å; S159-S161 VanDerWaalsContact C-N 3.28Å; S159-S161 PolarHBondContact O-N 3.13Å; S161-K163 PolarHBondContact O-N 3.24Å; S161-N164 PolarHBondContact O-N 3.47Å |
| 162 | K | 46.3 | Very low | 43 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 87% | 0.865 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -50.2 | -4 | 172.9 | -67.3 | 178 | 178.6 | 173.3 | 0 | 114 | L160 | L160-K162 PolarHBondContact O-N 3.02Š|
| 163 | K | 46 | Very low | 43 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -77.4 | -14.9 | 171.6 | -72 | 175.6 | -179.6 | 156.7 | 0 | 114.9 | S161 | S161-K163 PolarHBondContact O-N 3.24Š|
| 164 | N | 36.3 | Very low | 42.8 | Very low | 107 Ų | 107 | 132 Ų | 132 | 57% | 0.572 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -88.3 | 1.8 | 176.7 | -86.4 | 8.3 | 0 | 0 | 0 | 114.5 | S159 S161 | S159-N164 WeakPolarHBondContact CA-ND2 3.3Å; S161-N164 PolarHBondContact O-N 3.47Å |
| 165 | Y | 34 | Very low | 42.7 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 75% | 0.753 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -54.5 | 128.9 | 152.1 | -100.2 | -89.5 | 0 | 0 | 0 | 107.7 | R167 | Y165-R167 PolarHBondContact O-N 2.96Š|
| 166 | P | 34.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | trans | -63.7 | 88.1 | 179.7 | 24.7 | -32 | 0 | 0 | 0 | 109.1 | R168 | P166-R168 PolarHBondContact O-N 2.82Š| ||
| 167 | R | 42.4 | Very low | 42.3 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -64.2 | 92.9 | 163.2 | -88.8 | -178.3 | 165.1 | 170.1 | -3.8 | 105.8 | Y165 K169 | Y165-R167 PolarHBondContact O-N 2.96Å; R167-K169 PolarHBondContact O-N 3.22Å; R167-K169 VanDerWaalsContact O-N 3.16Å | ||
| 168 | R | 36.4 | Very low | 42.1 | Very low | 228 Ų | 228 | 148.7 Ų | 148.7 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -18.6 | 113.8 | 165.9 | -152.1 | 171.1 | -179.8 | 164.2 | -0.3 | 109.8 | P166 K170 | P166-R168 PolarHBondContact O-N 2.82Å; R168-K170 PolarHBondContact O-N 2.99Å | ||
| 169 | K | 39.3 | Very low | 41.8 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 92% | 0.922 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -49.3 | 90.3 | -172.3 | -69.9 | 174.8 | 178.9 | 169.9 | 0 | 112.1 | R167 | R167-K169 PolarHBondContact O-N 3.22Å; R167-K169 VanDerWaalsContact O-N 3.16Å |
| 170 | K | 44.5 | Very low | 41.8 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -114.3 | 36.2 | 168 | -74.2 | -163.7 | 178.3 | -175.9 | 0 | 113 | R168 | R168-K170 PolarHBondContact O-N 2.99Š| ||
| 171 | R | 41.8 | Very low | 41.5 | Very low | 236 Ų | 236 | 163 Ų | 163 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | trans | -108.1 | -2.2 | 177.5 | -89.1 | -173.4 | 173.6 | 178.7 | -0.8 | 116.4 | ||||
| 172 | K | 44.4 | Very low | 41.5 | Very low | 194 Ų | 194 | 166 Ų | 166 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -78.9 | -21.6 | 171.4 | -74.8 | -166.7 | 175.9 | -173.5 | 0 | 113.8 | ||
| 173 | V | 44 | Very low | 41.4 | Very low | 103 Ų | 103 | 162.1 Ų | 162.1 | 62% | 0.624 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -80 | -34.2 | -172.9 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | K175 | V173-K175 PolarHBondContact O-N 2.94Å |
| 174 | K | 44.3 | Very low | 41.4 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.2 | -25 | -174.1 | -83.5 | -168.2 | 175 | -172.1 | 0 | 115.6 | ||
| 175 | K | 42.4 | Very low | 41.8 | Very low | 171 Ų | 171 | 160 Ų | 160 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.6 | -36 | -179.8 | -97.8 | -171.2 | 175.6 | -173.6 | 0 | 112.7 | V173 | V173-K175 PolarHBondContact O-N 2.94Å |
| 176 | L | 40.5 | Very low | 42.5 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 175.8 | -94.7 | 137.3 | 0 | 0 | 0 | 112 | M178 W179 S180 | L176-M178 PolarHBondContact O-N 2.92Å; L176-W179 PolarHBondContact O-N 2.95Å; L176-S180 PolarHBondContact O-N 3.32Å |
| 177 | Q | 42.8 | Very low | 42.7 | Very low | 137 Ų | 137 | 158 Ų | 158 | 64% | 0.64 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.2 | -34.9 | 179.1 | -108.5 | -178.3 | -8.1 | 0 | 0 | 114.3 | R181 | Q177-R181 PolarHBondContact O-N 3.26Å |
| 178 | M | 41 | Very low | 42.4 | Very low | 136 Ų | 136 | 154.8 Ų | 154.8 | 67% | 0.67 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.5 | -34.4 | 179.5 | -79.4 | -159.4 | -56.3 | 0 | 0 | 113.3 | L176 R181 H182 | L176-M178 PolarHBondContact O-N 2.92Å; M178-R181 PolarHBondContact O-N 3.16Å; M178-H182 PolarHBondContact O-N 2.86Å |
| 179 | W | 39 | Very low | 42.2 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -68.5 | -43.4 | 177 | -83.6 | 19.6 | 0 | 0 | 0 | 111.2 | L176 R181 H182 E183 | L176-W179 PolarHBondContact O-N 2.95Å; W179-R181 VanDerWaalsContact C-N 3.29Å; W179-R181 PolarHBondContact O-N 2.95Å; W179-H182 PolarHBondContact O-N 3.2Å; W179-E183 PolarHBondContact O-N 3.04Å |
| 180 | S | 47.4 | Very low | 41.9 | Very low | 76 Ų | 76 | 153.2 Ų | 153.2 | 53% | 0.531 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -55.6 | -41.5 | 173 | 163.6 | 0 | 0 | 0 | 0 | 112.6 | L176 L184 | L176-S180 PolarHBondContact O-N 3.32Å; S180-L184 WeakPolarHBondContact O-CB 3.36Å; S180-L184 PolarHBondContact O-N 3.27Å |
| 181 | R | 39.7 | Very low | 41.8 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -72 | -35.4 | -179 | -154.2 | 178.8 | -170.9 | -163 | 2.5 | 113.3 | Q177 M178 W179 L184 M185 | Q177-R181 PolarHBondContact O-N 3.26Å; M178-R181 PolarHBondContact O-N 3.16Å; W179-R181 VanDerWaalsContact C-N 3.29Å; W179-R181 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 3.07Å; R181-M185 PolarHBondContact O-N 3.35Å; R181-M185 VanDerWaalsContact O-N 3.13Å |
| 182 | H | 43.3 | Very low | 41.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 54% | 0.537 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -74.4 | -36.9 | 179.4 | -161.7 | -85.6 | 0 | 0 | 0 | 111.8 | M178 W179 M185 L186 | M178-H182 PolarHBondContact O-N 2.86Å; W179-H182 PolarHBondContact O-N 3.2Å; H182-M185 PolarHBondContact O-N 3.16Å; H182-L186 WeakPolarHBondContact O-CG 3.42Å; H182-L186 PolarHBondContact O-N 3.19Å |
| 183 | E | 46 | Very low | 41.2 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 169.5 | -78.8 | 177.6 | 163.7 | 0 | 0 | 111.4 | W179 M185 L186 H187 | W179-E183 PolarHBondContact O-N 3.04Å; E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 3.16Å; E183-L186 PolarHBondContact O-N 2.91Å; E183-L186 VanDerWaalsContact O-N 3.13Å; E183-H187 PolarHBondContact O-CD2 2.81Å; E183-H187 PolarHBondContact O-N 3.33Å |
| 184 | L | 44.2 | Very low | 40.8 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -60.4 | -39.9 | 176.5 | -157.2 | 86.3 | 0 | 0 | 0 | 112.7 | S180 R181 L186 H187 Q188 | S180-L184 WeakPolarHBondContact O-CB 3.36Å; S180-L184 PolarHBondContact O-N 3.27Å; R181-L184 PolarHBondContact O-N 3.07Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.94Å; L184-H187 PolarHBondContact O-N 3.04Å; L184-Q188 WeakPolarHBondContact O-CG 3.31Å; L184-Q188 PolarHBondContact O-N 3.1Å; L184-Q188 VanDerWaalsContact O-N 3.09Å |
| 185 | M | 46 | Very low | 40.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -68.5 | -30.8 | 176.3 | -73 | -156.4 | -54.7 | 0 | 0 | 113.2 | R181 H182 E183 | R181-M185 PolarHBondContact O-N 3.35Å; R181-M185 VanDerWaalsContact O-N 3.13Å; H182-M185 PolarHBondContact O-N 3.16Å; E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 3.16Å |
| 186 | L | 47.7 | Very low | 40.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.9 | -36.5 | 175.5 | -73.2 | 167.9 | 0 | 0 | 0 | 111.4 | H182 E183 L184 | H182-L186 WeakPolarHBondContact O-CG 3.42Å; H182-L186 PolarHBondContact O-N 3.19Å; E183-L186 PolarHBondContact O-N 2.91Å; E183-L186 VanDerWaalsContact O-N 3.13Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 2.94Å |
| 187 | H | 38.9 | Very low | 40 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.4 | -20.2 | 177.2 | -74.1 | -67.6 | 0 | 0 | 0 | 114.4 | E183 L184 | E183-H187 PolarHBondContact O-CD2 2.81Å; E183-H187 PolarHBondContact O-N 3.33Å; L184-H187 PolarHBondContact O-N 3.04Å |
| 188 | Q | 36.1 | Very low | 39.4 | Very low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -5.8 | 178.6 | -77.1 | -173.8 | 19.7 | 0 | 0 | 115.1 | L184 K190 | L184-Q188 WeakPolarHBondContact O-CG 3.31Å; L184-Q188 PolarHBondContact O-N 3.1Å; L184-Q188 VanDerWaalsContact O-N 3.09Å; Q188-K190 VanDerWaalsContact C-N 3.28Å; Q188-K190 PolarHBondContact O-N 3.13Å |
| 189 | R | 32.8 | Very low | 38.9 | Very low | 217 Ų | 217 | 140.4 Ų | 140.4 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | trans | -78 | 80.7 | 170.4 | -80.2 | -174.6 | 173.1 | -178 | -2.7 | 110 | ||||
| 190 | K | 33.2 | Very low | 38.4 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -60.8 | 135.7 | 153.1 | -79 | -176.5 | 176.2 | -176.6 | 0 | 107.9 | Q188 | Q188-K190 VanDerWaalsContact C-N 3.28Å; Q188-K190 PolarHBondContact O-N 3.13Å | ||
| 191 | P | 41.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -59.6 | 141.1 | 177.9 | 24.2 | -31.7 | 0 | 0 | 0 | 109.6 | E193 | P191-E193 PolarHBondContact O-N 3.35Š| ||
| 192 | P | 38 | Very low | 37 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | trans | -64.5 | 111.9 | 174.9 | 26 | -31 | 0 | 0 | 0 | 108.9 | N194 | P192-N194 PolarHBondContact O-N 3.22Š| ||
| 193 | E | 36.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 141.7 Ų | 141.7 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 88.1 | 159.9 | -76.5 | 174.6 | 166 | 0 | 0 | 106.8 | P191 | P191-E193 PolarHBondContact O-N 3.35Š| ||
| 194 | N | 36.3 | Very low | 35.4 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -86.6 | 121 | 166.6 | -110.5 | -20.3 | 0 | 0 | 0 | 107.6 | P192 | P192-N194 PolarHBondContact O-N 3.22Š| ||
| 195 | P | 36.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -69.9 | 144.7 | -177 | 30.8 | -33.8 | 0 | 0 | 0 | 109.6 | ||||
| 196 | E | 37.2 | Very low | 34 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -8.2 | 122.1 | 164.6 | -59.4 | 177.1 | 169.4 | 0 | 0 | 116.2 | ||
| 197 | G | 35.7 | Very low | 33.2 | Very low | 66 Ų | 66 | 150.3 Ų | 150.3 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 118.9 | 5.9 | 136.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | T199 | G197-T199 PolarHBondContact O-N 3.29Å; G197-T199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | V | 30.7 | Very low | 33 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -88.7 | 89.2 | 174 | -170 | 0 | 0 | 0 | 0 | 111.2 | V200 | V198-V200 HydrophobicContact CG1-CG2 4.08Å; V198-V200 PolarHBondContact O-N 3.37Å; V198-V200 VanDerWaalsContact O-N 3.16Å | ||
| 199 | T | 30.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -71.3 | 92.2 | 170.5 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | G197 R201 | G197-T199 PolarHBondContact O-N 3.29Å; G197-T199 VanDerWaalsContact O-N 3.16Å; T199-R201 PolarHBondContact O-N 2.91Å; T199-R201 VanDerWaalsContact O-N 3.13Å | ||
| 200 | V | 28.4 | Very low | 33 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 100.1 | 171.1 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | V198 S202 | V198-V200 HydrophobicContact CG1-CG2 4.08Å; V198-V200 PolarHBondContact O-N 3.37Å; V198-V200 VanDerWaalsContact O-N 3.16Å; V200-S202 PolarHBondContact O-N 2.82Å | ||
| 201 | R | 27.7 | Very low | 33 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.5 | 178 | -67.7 | 179.8 | 172.4 | -174 | -3.5 | 110.6 | T199 | T199-R201 PolarHBondContact O-N 2.91Å; T199-R201 VanDerWaalsContact O-N 3.13Å |
| 202 | S | 30.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 125.5 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | V200 | V200-S202 PolarHBondContact O-N 2.82Š|
| 203 | V | 26.4 | Very low | 32.8 | Very low | 136 Ų | 136 | 151.6 Ų | 151.6 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92 | 125.2 | 170.1 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | C205 | V203-C205 PolarHBondContact O-N 3.1Š|
| 204 | H | 28.4 | Very low | 32.6 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 83% | 0.829 | 82% | 0.824 | S | S | * | * | trans | -59.9 | 115.4 | -174.7 | -148.2 | 63.9 | 0 | 0 | 0 | 111.9 | K206 | H204-K206 PolarHBondContact O-N 2.76Š| ||
| 205 | C | 30.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 155.1 Ų | 155.1 | 75% | 0.75 | 83% | 0.826 | S | S | * | * | trans | -71 | 110.2 | 171.6 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | V203 | V203-C205 PolarHBondContact O-N 3.1Š| ||
| 206 | K | 30 | Very low | 32.2 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -72.6 | 126.2 | 171.2 | -77.5 | 178.8 | 175.9 | 177.8 | 0 | 109.8 | H204 I208 | H204-K206 PolarHBondContact O-N 2.76Å; K206-I208 PolarHBondContact O-N 3Å | ||
| 207 | N | 32.5 | Very low | 32 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | trans | -56.7 | 117.8 | 167.1 | -68.8 | -18.1 | 0 | 0 | 0 | 109.1 | ||||
| 208 | I | 32.9 | Very low | 31.7 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -93.3 | 99.9 | 168.6 | -59.4 | 176.7 | 0 | 0 | 0 | 106.2 | K206 | K206-I208 PolarHBondContact O-N 3Š| ||
| 209 | E | 35.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -65.1 | 132.9 | 167.4 | -77.1 | 177.1 | 157.9 | 0 | 0 | 109.9 | K211 | E209-K211 PolarHBondContact O-N 2.65Å; E209-K211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | N | 33.4 | Very low | 31.9 | Very low | 154 Ų | 154 | 164.7 Ų | 164.7 | 82% | 0.824 | 84% | 0.843 | S | S | * | * | trans | -61.6 | 109.7 | 177 | -68.1 | -32.4 | 0 | 0 | 0 | 110.3 | T212 | N210-T212 PolarHBondContact O-N 3.03Š| ||
| 211 | K | 34 | Very low | 32.2 | Very low | 191 Ų | 191 | 167.1 Ų | 167.1 | 83% | 0.83 | 85% | 0.846 | S | S | * | * | trans | -85.9 | 94.2 | 154.9 | -75.8 | -173 | 177.6 | -177.2 | 0 | 107.9 | E209 I213 | E209-K211 PolarHBondContact O-N 2.65Å; E209-K211 VanDerWaalsContact O-N 3.16Å; K211-I213 PolarHBondContact O-N 3.29Å; K211-I213 VanDerWaalsContact O-N 3.16Å | ||
| 212 | T | 36.9 | Very low | 32.5 | Very low | 135 Ų | 135 | 162.5 Ų | 162.5 | 83% | 0.828 | 85% | 0.845 | S | S | * | * | trans | -63.5 | 106.1 | 158.3 | -33.3 | 0 | 0 | 0 | 0 | 106.2 | N210 | N210-T212 PolarHBondContact O-N 3.03Š| ||
| 213 | I | 37.8 | Very low | 32.7 | Very low | 149 Ų | 149 | 166.1 Ų | 166.1 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | trans | -92.7 | 117.2 | 168.8 | -62.2 | 174 | 0 | 0 | 0 | 105.3 | K211 | K211-I213 PolarHBondContact O-N 3.29Å; K211-I213 VanDerWaalsContact O-N 3.16Å | ||
| 214 | E | 33.2 | Very low | 33.2 | Very low | 258 Ų | 258 | 168.8 Ų | 168.8 | 100% | 1.206 | 85% | 0.848 | S | S | * | * | trans | -62.8 | 0 | 160.8 | -70.5 | -179 | 157.4 | 0 | 0 | 110.9 |
Retrieved 214 of 214 residues in 453.1 ms
(Link to these results)