| 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 | L | 51.3 | Low | 51.3 | Low | 239 Ų | 239 | 137.7 Ų | 137.7 | 100% | 1.251 | 71% | 0.712 | S | S | * | * | 0 | 74 | 0 | -88.2 | 106.5 | 0 | 0 | 0 | 111 | |||||
| 2 | G | 50.6 | Low | 50.9 | Low | 67 Ų | 67 | 136 Ų | 136 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | -146 | 6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 3 | R | 47.3 | Very low | 50.7 | Low | 227 Ų | 227 | 130.4 Ų | 130.4 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -107.3 | -12.6 | -172.1 | -138.6 | 176.7 | -163 | 125.2 | 2.5 | 115.5 | ||
| 4 | T | 51.1 | Low | 50.5 | Low | 111 Ų | 111 | 130.7 Ų | 130.7 | 68% | 0.681 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -102.6 | -13.4 | -172.7 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 5 | R | 51.2 | Low | 50.3 | Low | 208 Ų | 208 | 132.1 Ų | 132.1 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.4 | -34.4 | 178.4 | -81.8 | -176.1 | 169.7 | 166.4 | -3.1 | 113.8 | Q7 I9 | R5-Q7 VanDerWaalsContact C-N 3.32Å; R5-Q7 PolarHBondContact O-N 3.1Å; R5-I9 WeakPolarHBondContact O-CD1 3.3Å; R5-I9 WeakPolarHBondContact O-CG1 3.25Å; R5-I9 PolarHBondContact O-N 3.38Å |
| 6 | N | 51.4 | Low | 50 | Low | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.2 | -21.5 | -177.1 | -67.5 | -5.9 | 0 | 0 | 0 | 113.3 | N10 | N6-N10 PolarHBondContact O-N 3.07Å; N6-N10 PolarHBondContact O-ND2 3.46Å |
| 7 | Q | 52.4 | Low | 49.7 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.1 | -41.3 | 177.4 | -133.6 | 169.3 | 6.3 | 0 | 0 | 111 | R5 N10 T11 | R5-Q7 VanDerWaalsContact C-N 3.32Å; R5-Q7 PolarHBondContact O-N 3.1Å; Q7-N10 PolarHBondContact O-N 3.5Å; Q7-T11 PolarHBondContact O-N 2.93Å; Q7-T11 VanDerWaalsContact O-N 3.11Å; Q7-T11 PolarHBondContact O-OG1 3.33Å |
| 8 | V | 53.6 | Low | 49.6 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -67.9 | -39.4 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | T11 L12 | V8-T11 WeakPolarHBondContact CA-OG1 3.41Å; V8-T11 PolarHBondContact O-N 3.48Å; V8-T11 PolarHBondContact O-OG1 3.24Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.4Å |
| 9 | I | 52.3 | Low | 49.3 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 53% | 0.533 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -67 | -38.2 | 178.8 | -62.6 | 167.2 | 0 | 0 | 0 | 111.1 | R5 L12 A13 | R5-I9 WeakPolarHBondContact O-CD1 3.3Å; R5-I9 WeakPolarHBondContact O-CG1 3.25Å; R5-I9 PolarHBondContact O-N 3.38Å; I9-L12 PolarHBondContact O-N 3.48Å; I9-A13 WeakPolarHBondContact O-CB 3.26Å; I9-A13 PolarHBondContact O-N 3.08Å |
| 10 | N | 52.4 | Low | 49.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.9 | -35 | 177.3 | -75 | -11.7 | 0 | 0 | 0 | 112.8 | N6 Q7 L12 D14 | N6-N10 PolarHBondContact O-N 3.07Å; N6-N10 PolarHBondContact O-ND2 3.46Å; Q7-N10 PolarHBondContact O-N 3.5Å; N10-L12 VanDerWaalsContact C-N 3.34Å; N10-D14 WeakPolarHBondContact O-CB 3.38Å; N10-D14 PolarHBondContact O-N 2.99Å |
| 11 | T | 50.2 | Low | 49.2 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | 171.6 | 33.1 | 0 | 0 | 0 | 0 | 113.5 | Q7 V8 | Q7-T11 PolarHBondContact O-N 2.93Å; Q7-T11 VanDerWaalsContact O-N 3.11Å; Q7-T11 PolarHBondContact O-OG1 3.33Å; V8-T11 WeakPolarHBondContact CA-OG1 3.41Å; V8-T11 PolarHBondContact O-N 3.48Å; V8-T11 PolarHBondContact O-OG1 3.24Å |
| 12 | L | 46.5 | Very low | 48.9 | Very low | 117 Ų | 117 | 136 Ų | 136 | 61% | 0.613 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.1 | -35.9 | 176.9 | -166 | 73.9 | 0 | 0 | 0 | 111.8 | V8 I9 N10 D14 H15 | V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 PolarHBondContact O-N 3.4Å; I9-L12 PolarHBondContact O-N 3.48Å; N10-L12 VanDerWaalsContact C-N 3.34Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-H15 PolarHBondContact O-N 3.4Å |
| 13 | A | 48.5 | Very low | 48.8 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.9 | -33.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I9 H15 H16 | I9-A13 WeakPolarHBondContact O-CB 3.26Å; I9-A13 PolarHBondContact O-N 3.08Å; A13-H15 VanDerWaalsContact C-N 3.25Å; A13-H15 PolarHBondContact O-N 3.3Å; A13-H16 PolarHBondContact O-N 3.47Å |
| 14 | D | 47.6 | Very low | 48.6 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -13.3 | -179.9 | -155.2 | 44.6 | 0 | 0 | 0 | 113.4 | N10 L12 | N10-D14 WeakPolarHBondContact O-CB 3.38Å; N10-D14 PolarHBondContact O-N 2.99Å; L12-D14 VanDerWaalsContact C-N 3.34Å |
| 15 | H | 47.4 | Very low | 48.9 | Very low | 152 Ų | 152 | 125 Ų | 125 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -6.1 | 177.3 | -84 | 27.4 | 0 | 0 | 0 | 114.5 | L12 A13 | L12-H15 PolarHBondContact O-N 3.4Å; A13-H15 VanDerWaalsContact C-N 3.25Å; A13-H15 PolarHBondContact O-N 3.3Å |
| 16 | H | 45.9 | Very low | 49.3 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 73% | 0.731 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 3.9 | -178.1 | -95.1 | -74.2 | 0 | 0 | 0 | 115.4 | A13 | A13-H16 PolarHBondContact O-N 3.47Š|
| 17 | H | 45 | Very low | 49.5 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 84% | 0.843 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 18 | 174.1 | -98.6 | -55.3 | 0 | 0 | 0 | 115.4 | G19 | H17-G19 PolarHBondContact O-N 3.1Å; H17-G19 VanDerWaalsContact O-N 3.12Å |
| 18 | R | 47.2 | Very low | 50 | Low | 231 Ų | 231 | 121.2 Ų | 121.2 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | -86.6 | 65.4 | 163.7 | -108.5 | 179.9 | 167.5 | -171.4 | -2.7 | 110.5 | T20 | R18-T20 VanDerWaalsContact C-N 3.32Å; R18-T20 PolarHBondContact O-N 3.48Å | ||
| 19 | G | 44 | Very low | 50.3 | Low | 49 Ų | 49 | 123 Ų | 123 | 51% | 0.505 | 65% | 0.654 | S | S | . | * | trans | -66.2 | 92.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | H17 D21 | H17-G19 PolarHBondContact O-N 3.1Å; H17-G19 VanDerWaalsContact O-N 3.12Å; G19-D21 PolarHBondContact O-N 3.1Å; G19-D21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | T | 50 | Low | 50.9 | Low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | trans | 30.9 | 70.1 | 149.4 | 50.5 | 0 | 0 | 0 | 0 | 116.6 | R18 F22 | R18-T20 VanDerWaalsContact C-N 3.32Å; R18-T20 PolarHBondContact O-N 3.48Å; T20-F22 PolarHBondContact O-N 2.99Å | ||
| 21 | D | 46.6 | Very low | 51.4 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 81% | 0.807 | 65% | 0.645 | S | S | * | * | trans | -80.9 | 24.6 | 167 | -70 | -43.9 | 0 | 0 | 0 | 112.9 | G19 G23 | G19-D21 PolarHBondContact O-N 3.1Å; G19-D21 VanDerWaalsContact O-N 3.08Å; D21-G23 PolarHBondContact O-N 3.07Å; D21-G23 VanDerWaalsContact O-N 3.07Å | ||
| 22 | F | 46.2 | Very low | 51.9 | Low | 217 Ų | 217 | 121.8 Ų | 121.8 | 95% | 0.952 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 35 | 170.7 | -85.1 | -78.1 | 0 | 0 | 0 | 112.4 | T20 | T20-F22 PolarHBondContact O-N 2.99Š|
| 23 | G | 48.8 | Very low | 52.5 | Low | 42 Ų | 42 | 118.6 Ų | 118.6 | 43% | 0.433 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.9 | 31.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113 | D21 S25 | D21-G23 PolarHBondContact O-N 3.07Å; D21-G23 VanDerWaalsContact O-N 3.07Å; G23-S25 PolarHBondContact O-N 3.4Å |
| 24 | G | 42.9 | Very low | 52.9 | Low | 48 Ų | 48 | 123 Ų | 123 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | trans | -46.9 | 134.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P26 W27 | G24-P26 WeakPolarHBondContact O-CD 3.44Å; G24-W27 PolarHBondContact O-N 3.33Å; G24-W27 VanDerWaalsContact O-N 3.13Å | ||
| 25 | S | 57.3 | Low | 53.6 | Low | 83 Ų | 83 | 118.8 Ų | 118.8 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -35.7 | -32.2 | -177 | -65.5 | 0 | 0 | 0 | 0 | 117.4 | G23 W27 H29 | G23-S25 PolarHBondContact O-N 3.4Å; S25-W27 PolarHBondContact O-N 3.08Å; S25-H29 PolarHBondContact O-CD2 3.41Å; S25-H29 PolarHBondContact O-N 2.87Å |
| 26 | P | 59.4 | Low | 54.3 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.7 | -38.2 | 178.6 | -26.5 | 36.4 | 0 | 0 | 0 | 115 | G24 H29 V30 | G24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-H29 PolarHBondContact O-N 2.92Å; P26-V30 WeakPolarHBondContact O-CG2 3.12Å; P26-V30 PolarHBondContact O-N 3.07Å |
| 27 | W | 56 | Low | 55.3 | Low | 189 Ų | 189 | 111.4 Ų | 111.4 | 72% | 0.716 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -75.5 | -34.9 | -174 | -125.5 | 75.9 | 0 | 0 | 0 | 112.4 | G24 S25 V30 I31 | G24-W27 PolarHBondContact O-N 3.33Å; G24-W27 VanDerWaalsContact O-N 3.13Å; S25-W27 PolarHBondContact O-N 3.08Å; W27-V30 PolarHBondContact O-N 3.39Å; W27-I31 HydrophobicContact CE3-CD1 3.49Å; W27-I31 VanDerWaalsContact CE3-CD1 3.49Å; W27-I31 HydrophobicContact CE3-CG1 4.08Å; W27-I31 HydrophobicContact CZ3-CD1 3.84Å; W27-I31 HydrophobicContact CZ3-CG1 4.31Å; W27-I31 VanDerWaalsContact O-CG1 3.28Å; W27-I31 WeakPolarHBondContact O-CG1 3.06Å; W27-I31 PolarHBondContact O-N 2.92Å |
| 28 | L | 61.5 | Low | 56.8 | Low | 97 Ų | 97 | 108 Ų | 108 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.5 | -37.9 | 172.1 | -72.6 | 170.6 | 0 | 0 | 0 | 111.9 | V30 I31 I32 | L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.45Å; L28-I31 PolarHBondContact O-N 3.4Å; L28-I32 WeakPolarHBondContact O-CB 3.5Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 3.35Å |
| 29 | H | 61.5 | Low | 58.2 | Low | 134 Ų | 134 | 102.7 Ų | 102.7 | 62% | 0.62 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -40.8 | 170.7 | -82.2 | -66.5 | 0 | 0 | 0 | 111.8 | S25 P26 I32 A33 | S25-H29 PolarHBondContact O-CD2 3.41Å; S25-H29 PolarHBondContact O-N 2.87Å; P26-H29 PolarHBondContact O-N 2.92Å; H29-I32 PolarHBondContact O-N 2.82Å; H29-A33 WeakPolarHBondContact O-CB 3.44Å; H29-A33 PolarHBondContact O-N 3.14Å |
| 30 | V | 63.2 | Low | 59.7 | Low | 84 Ų | 84 | 104.2 Ų | 104.2 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -46.1 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | P26 W27 L28 I32 F34 | P26-V30 WeakPolarHBondContact O-CG2 3.12Å; P26-V30 PolarHBondContact O-N 3.07Å; W27-V30 PolarHBondContact O-N 3.39Å; L28-V30 VanDerWaalsContact C-N 3.31Å; L28-V30 PolarHBondContact O-N 3.45Å; V30-I32 VanDerWaalsContact C-N 3.28Å; V30-I32 PolarHBondContact O-N 3.42Å; V30-F34 WeakPolarHBondContact O-CB 3.17Å; V30-F34 PolarHBondContact O-N 2.97Å |
| 31 | I | 62.8 | Low | 61.2 | Low | 89 Ų | 89 | 102.7 Ų | 102.7 | 46% | 0.456 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.9 | -29.2 | 179.1 | -67.2 | 162.2 | 0 | 0 | 0 | 112.7 | W27 L28 P35 | W27-I31 HydrophobicContact CE3-CD1 3.49Å; W27-I31 VanDerWaalsContact CE3-CD1 3.49Å; W27-I31 HydrophobicContact CE3-CG1 4.08Å; W27-I31 HydrophobicContact CZ3-CD1 3.84Å; W27-I31 HydrophobicContact CZ3-CG1 4.31Å; W27-I31 VanDerWaalsContact O-CG1 3.28Å; W27-I31 WeakPolarHBondContact O-CG1 3.06Å; W27-I31 PolarHBondContact O-N 2.92Å; L28-I31 PolarHBondContact O-N 3.4Å; I31-P35 WeakPolarHBondContact O-CD 3.33Å; I31-P35 WeakPolarHBondContact O-CG 3.42Å |
| 32 | I | 61.9 | Low | 63 | Low | 114 Ų | 114 | 99.3 Ų | 99.3 | 59% | 0.585 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -91.8 | -37.5 | 179.4 | -63.6 | 166.8 | 0 | 0 | 0 | 112.1 | L28 H29 V30 P35 T36 | L28-I32 WeakPolarHBondContact O-CB 3.5Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 3.35Å; H29-I32 PolarHBondContact O-N 2.82Å; V30-I32 VanDerWaalsContact C-N 3.28Å; V30-I32 PolarHBondContact O-N 3.42Å; I32-P35 WeakPolarHBondContact O-CD 3.3Å; I32-T36 PolarHBondContact O-OG1 2.92Å |
| 33 | A | 58.4 | Low | 64.6 | Low | 50 Ų | 50 | 92.9 Ų | 92.9 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72 | -37.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H29 T36 S37 | H29-A33 WeakPolarHBondContact O-CB 3.44Å; H29-A33 PolarHBondContact O-N 3.14Å; A33-T36 PolarHBondContact O-N 3.09Å; A33-T36 VanDerWaalsContact O-N 3.12Å; A33-S37 WeakPolarHBondContact O-CB 3.19Å; A33-S37 PolarHBondContact O-N 3.29Å; A33-S37 PolarHBondContact O-OG 3.3Å |
| 34 | F | 58.2 | Low | 66.2 | Low | 154 Ų | 154 | 96.3 Ų | 96.3 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | -178.6 | -157.9 | -90.9 | 0 | 0 | 0 | 113.2 | V30 T36 Y38 | V30-F34 WeakPolarHBondContact O-CB 3.17Å; V30-F34 PolarHBondContact O-N 2.97Å; F34-T36 VanDerWaalsContact C-N 3.31Å; F34-T36 PolarHBondContact O-N 3.5Å; F34-Y38 PolarHBondContact O-N 2.88Å |
| 35 | P | 61.8 | Low | 68.3 | Low | 48 Ų | 48 | 102 Ų | 102 | 31% | 0.312 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.3 | -42 | 167.9 | -29.9 | 35.8 | 0 | 0 | 0 | 114.6 | I31 I32 Y38 K39 | I31-P35 WeakPolarHBondContact O-CD 3.33Å; I31-P35 WeakPolarHBondContact O-CG 3.42Å; I32-P35 WeakPolarHBondContact O-CD 3.3Å; P35-Y38 VanDerWaalsContact CA-CE1 3.4Å; P35-Y38 HydrophobicContact CB-CD1 4.32Å; P35-Y38 HydrophobicContact CB-CE1 3.98Å; P35-Y38 WeakPolarHBondContact O-CD1 3.4Å; P35-Y38 WeakPolarHBondContact O-CE1 3.44Å; P35-K39 VanDerWaalsContact O-CG 3.28Å; P35-K39 WeakPolarHBondContact O-CG 3.31Å; P35-K39 PolarHBondContact O-N 3.27Å; P35-K39 VanDerWaalsContact O-N 3.17Å |
| 36 | T | 60.7 | Low | 69.8 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.1 | -43.2 | -175 | -51.4 | 0 | 0 | 0 | 0 | 110 | I32 A33 F34 K39 V40 | I32-T36 PolarHBondContact O-OG1 2.92Å; A33-T36 PolarHBondContact O-N 3.09Å; A33-T36 VanDerWaalsContact O-N 3.12Å; F34-T36 VanDerWaalsContact C-N 3.31Å; F34-T36 PolarHBondContact O-N 3.5Å; T36-K39 PolarHBondContact O-N 2.93Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.9Å; T36-V40 VanDerWaalsContact O-N 3.08Å |
| 37 | S | 67.1 | Low | 71.2 | Confident | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | A33 K39 V40 V41 | A33-S37 WeakPolarHBondContact O-CB 3.19Å; A33-S37 PolarHBondContact O-N 3.29Å; A33-S37 PolarHBondContact O-OG 3.3Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 3.03Å; S37-V40 PolarHBondContact O-N 2.94Å; S37-V41 VanDerWaalsContact O-CG2 3.3Å; S37-V41 WeakPolarHBondContact O-CG2 3.17Å; S37-V41 PolarHBondContact O-N 3.46Å |
| 38 | Y | 77.1 | Confident | 72.7 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.2 | 94.3 | -109.4 | 0 | 0 | 0 | 111.1 | F34 P35 V40 V41 I42 | F34-Y38 PolarHBondContact O-N 2.88Å; P35-Y38 VanDerWaalsContact CA-CE1 3.4Å; P35-Y38 HydrophobicContact CB-CD1 4.32Å; P35-Y38 HydrophobicContact CB-CE1 3.98Å; P35-Y38 WeakPolarHBondContact O-CD1 3.4Å; P35-Y38 WeakPolarHBondContact O-CE1 3.44Å; Y38-V40 VanDerWaalsContact C-N 3.3Å; Y38-V40 PolarHBondContact O-N 3.43Å; Y38-V41 PolarHBondContact O-N 2.99Å; Y38-I42 HydrophobicContact CD2-CD1 3.47Å; Y38-I42 VanDerWaalsContact CD2-CD1 3.47Å; Y38-I42 HydrophobicContact CD2-CG1 4.19Å; Y38-I42 HydrophobicContact CE2-CD1 3.87Å; Y38-I42 WeakPolarHBondContact O-CB 3.3Å; Y38-I42 VanDerWaalsContact O-CG1 3.28Å; Y38-I42 WeakPolarHBondContact O-CG1 3.47Å; Y38-I42 PolarHBondContact O-N 3Å |
| 39 | K | 76.3 | Confident | 74 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 178.2 | -77.6 | 179.3 | 180 | 176.8 | 0 | 111.4 | P35 T36 S37 T43 | P35-K39 VanDerWaalsContact O-CG 3.28Å; P35-K39 WeakPolarHBondContact O-CG 3.31Å; P35-K39 PolarHBondContact O-N 3.27Å; P35-K39 VanDerWaalsContact O-N 3.17Å; T36-K39 PolarHBondContact O-N 2.93Å; S37-K39 VanDerWaalsContact C-N 3.32Å; S37-K39 PolarHBondContact O-N 3.03Å; K39-T43 VanDerWaalsContact O-CB 3.28Å; K39-T43 WeakPolarHBondContact O-CB 3.38Å; K39-T43 PolarHBondContact O-N 2.94Å; K39-T43 PolarHBondContact O-OG1 3.26Å |
| 40 | V | 76.8 | Confident | 75.2 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | T36 S37 Y38 I42 T43 L44 | T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.9Å; T36-V40 VanDerWaalsContact O-N 3.08Å; S37-V40 PolarHBondContact O-N 2.94Å; Y38-V40 VanDerWaalsContact C-N 3.3Å; Y38-V40 PolarHBondContact O-N 3.43Å; V40-I42 PolarHBondContact O-N 3.26Å; V40-T43 PolarHBondContact O-N 3.5Å; V40-L44 HydrophobicContact CG1-CD1 3.86Å; V40-L44 HydrophobicContact CG1-CG 4.37Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.92Å |
| 41 | V | 80.6 | Confident | 76.2 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | S37 Y38 T43 L44 W45 | S37-V41 VanDerWaalsContact O-CG2 3.3Å; S37-V41 WeakPolarHBondContact O-CG2 3.17Å; S37-V41 PolarHBondContact O-N 3.46Å; Y38-V41 PolarHBondContact O-N 2.99Å; V41-T43 VanDerWaalsContact C-N 3.34Å; V41-T43 PolarHBondContact O-N 3.44Å; V41-L44 PolarHBondContact O-N 3.14Å; V41-W45 WeakPolarHBondContact O-CB 3.37Å; V41-W45 PolarHBondContact O-N 2.85Å |
| 42 | I | 83.8 | Confident | 77 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 41% | 0.41 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.2 | -69.6 | -177.8 | 0 | 0 | 0 | 110.5 | Y38 V40 W45 I46 | Y38-I42 HydrophobicContact CD2-CD1 3.47Å; Y38-I42 VanDerWaalsContact CD2-CD1 3.47Å; Y38-I42 HydrophobicContact CD2-CG1 4.19Å; Y38-I42 HydrophobicContact CE2-CD1 3.87Å; Y38-I42 WeakPolarHBondContact O-CB 3.3Å; Y38-I42 VanDerWaalsContact O-CG1 3.28Å; Y38-I42 WeakPolarHBondContact O-CG1 3.47Å; Y38-I42 PolarHBondContact O-N 3Å; V40-I42 PolarHBondContact O-N 3.26Å; I42-W45 PolarHBondContact O-N 3.12Å; I42-I46 HydrophobicContact CG2-CD1 3.69Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 WeakPolarHBondContact O-CB 3.41Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.3Å; I42-I46 PolarHBondContact O-N 3.33Å |
| 43 | T | 81 | Confident | 77.9 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 111 | K39 V40 V41 I46 V47 | K39-T43 VanDerWaalsContact O-CB 3.28Å; K39-T43 WeakPolarHBondContact O-CB 3.38Å; K39-T43 PolarHBondContact O-N 2.94Å; K39-T43 PolarHBondContact O-OG1 3.26Å; V40-T43 PolarHBondContact O-N 3.5Å; V41-T43 VanDerWaalsContact C-N 3.34Å; V41-T43 PolarHBondContact O-N 3.44Å; T43-I46 PolarHBondContact O-N 2.93Å; T43-V47 VanDerWaalsContact O-CG2 3.3Å; T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.27Å |
| 44 | L | 83 | Confident | 79 | Confident | 113 Ų | 113 | 100 Ų | 100 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -42 | 175.5 | -72.6 | 171.3 | 0 | 0 | 0 | 111.7 | V40 V41 V47 Y48 | V40-L44 HydrophobicContact CG1-CD1 3.86Å; V40-L44 HydrophobicContact CG1-CG 4.37Å; V40-L44 WeakPolarHBondContact O-CB 3.31Å; V40-L44 VanDerWaalsContact O-CG 3.3Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.92Å; V41-L44 PolarHBondContact O-N 3.14Å; L44-V47 PolarHBondContact O-N 3.11Å; L44-Y48 VanDerWaalsContact O-CB 3.24Å; L44-Y48 WeakPolarHBondContact O-CB 3.4Å; L44-Y48 PolarHBondContact O-N 2.95Å |
| 45 | W | 85.9 | Confident | 79.7 | Confident | 167 Ų | 167 | 100.1 Ų | 100.1 | 63% | 0.633 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 177 | -173.3 | 63.9 | 0 | 0 | 0 | 112.2 | V41 I42 Y48 L49 | V41-W45 WeakPolarHBondContact O-CB 3.37Å; V41-W45 PolarHBondContact O-N 2.85Å; I42-W45 PolarHBondContact O-N 3.12Å; W45-Y48 PolarHBondContact O-N 3.39Å; W45-L49 VanDerWaalsContact O-CB 3.32Å; W45-L49 WeakPolarHBondContact O-CB 3.21Å; W45-L49 PolarHBondContact O-N 3.33Å |
| 46 | I | 88.4 | Confident | 80.1 | Confident | 76 Ų | 76 | 102.1 Ų | 102.1 | 39% | 0.39 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 174.5 | -70.1 | 168.8 | 0 | 0 | 0 | 110.2 | I42 T43 Y48 L49 W50 | I42-I46 HydrophobicContact CG2-CD1 3.69Å; I42-I46 HydrophobicContact CG2-CG1 4.32Å; I42-I46 WeakPolarHBondContact O-CB 3.41Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.3Å; I42-I46 PolarHBondContact O-N 3.33Å; T43-I46 PolarHBondContact O-N 2.93Å; I46-Y48 VanDerWaalsContact C-N 3.3Å; I46-Y48 PolarHBondContact O-N 2.9Å; I46-L49 PolarHBondContact O-N 3.42Å; I46-W50 WeakPolarHBondContact O-CB 3.26Å; I46-W50 PolarHBondContact O-N 2.88Å |
| 47 | V | 89.5 | Confident | 80.6 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | T43 L44 L49 W50 V51 | T43-V47 VanDerWaalsContact O-CG2 3.3Å; T43-V47 WeakPolarHBondContact O-CG2 3.47Å; T43-V47 PolarHBondContact O-N 3.27Å; L44-V47 PolarHBondContact O-N 3.11Å; V47-L49 PolarHBondContact O-N 2.89Å; V47-W50 PolarHBondContact O-N 2.77Å; V47-V51 HydrophobicContact CG1-CG2 4.31Å; V47-V51 WeakPolarHBondContact O-CB 3.35Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 2.82Å |
| 48 | Y | 88.1 | Confident | 80.2 | Confident | 161 Ų | 161 | 105.1 Ų | 105.1 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177 | -179.2 | -100 | 0 | 0 | 0 | 112.1 | L44 W45 I46 W50 V51 S52 | L44-Y48 VanDerWaalsContact O-CB 3.24Å; L44-Y48 WeakPolarHBondContact O-CB 3.4Å; L44-Y48 PolarHBondContact O-N 2.95Å; W45-Y48 PolarHBondContact O-N 3.39Å; I46-Y48 VanDerWaalsContact C-N 3.3Å; I46-Y48 PolarHBondContact O-N 2.9Å; Y48-W50 VanDerWaalsContact C-N 3.34Å; Y48-W50 PolarHBondContact O-N 2.89Å; Y48-V51 PolarHBondContact O-N 3.35Å; Y48-S52 VanDerWaalsContact O-CB 3.27Å; Y48-S52 WeakPolarHBondContact O-CB 3.36Å; Y48-S52 PolarHBondContact O-N 3.4Å; Y48-S52 PolarHBondContact O-OG 2.98Å |
| 49 | L | 88 | Confident | 79.1 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177 | -172.3 | 67.5 | 0 | 0 | 0 | 111.2 | W45 I46 V47 S52 L53 | W45-L49 VanDerWaalsContact O-CB 3.32Å; W45-L49 WeakPolarHBondContact O-CB 3.21Å; W45-L49 PolarHBondContact O-N 3.33Å; I46-L49 PolarHBondContact O-N 3.42Å; V47-L49 PolarHBondContact O-N 2.89Å; L49-S52 PolarHBondContact O-N 3.44Å; L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.44Å |
| 50 | W | 86.3 | Confident | 78 | Confident | 161 Ų | 161 | 108.5 Ų | 108.5 | 61% | 0.61 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 176.3 | -88.5 | 95.9 | 0 | 0 | 0 | 112.8 | I46 V47 Y48 S52 L53 L54 | I46-W50 WeakPolarHBondContact O-CB 3.26Å; I46-W50 PolarHBondContact O-N 2.88Å; V47-W50 PolarHBondContact O-N 2.77Å; Y48-W50 VanDerWaalsContact C-N 3.34Å; Y48-W50 PolarHBondContact O-N 2.89Å; W50-S52 VanDerWaalsContact C-N 3.33Å; W50-L53 PolarHBondContact O-N 3.44Å; W50-L54 HydrophobicContact CE3-CD1 4.16Å; W50-L54 WeakPolarHBondContact O-CB 3.49Å; W50-L54 PolarHBondContact O-N 2.82Å |
| 51 | V | 83.9 | Confident | 76.7 | Confident | 86 Ų | 86 | 113.5 Ų | 113.5 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | V47 Y48 L54 K55 | V47-V51 HydrophobicContact CG1-CG2 4.31Å; V47-V51 WeakPolarHBondContact O-CB 3.35Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 2.82Å; Y48-V51 PolarHBondContact O-N 3.35Å; V51-L54 PolarHBondContact O-N 2.87Å; V51-K55 VanDerWaalsContact O-CB 3.24Å; V51-K55 WeakPolarHBondContact O-CB 3.32Å; V51-K55 PolarHBondContact O-N 3.17Å |
| 52 | S | 81.1 | Confident | 75 | Confident | 43 Ų | 43 | 114.2 Ų | 114.2 | 30% | 0.301 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | Y48 L49 W50 K55 T56 | Y48-S52 VanDerWaalsContact O-CB 3.27Å; Y48-S52 WeakPolarHBondContact O-CB 3.36Å; Y48-S52 PolarHBondContact O-N 3.4Å; Y48-S52 PolarHBondContact O-OG 2.98Å; L49-S52 PolarHBondContact O-N 3.44Å; W50-S52 VanDerWaalsContact C-N 3.33Å; S52-K55 PolarHBondContact O-N 2.98Å; S52-T56 WeakPolarHBondContact O-CG2 3.24Å; S52-T56 PolarHBondContact O-N 3.2Å; S52-T56 PolarHBondContact O-OG1 3Å |
| 53 | L | 80.1 | Confident | 73.4 | Confident | 85 Ų | 85 | 113.2 Ų | 113.2 | 45% | 0.445 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.8 | -43.1 | 173.6 | -166.7 | 91.9 | 0 | 0 | 0 | 111.7 | L49 W50 K55 T56 I57 | L49-L53 VanDerWaalsContact O-CB 3.31Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.44Å; W50-L53 PolarHBondContact O-N 3.44Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.39Å; L53-T56 WeakPolarHBondContact CA-OG1 3.31Å; L53-T56 PolarHBondContact O-N 3.47Å; L53-T56 PolarHBondContact O-OG1 3.26Å; L53-I57 HydrophobicContact CD2-CD1 4.03Å; L53-I57 HydrophobicContact CG-CD1 3.95Å; L53-I57 WeakPolarHBondContact O-CB 3.32Å; L53-I57 WeakPolarHBondContact O-CD1 3.21Å; L53-I57 VanDerWaalsContact O-CG1 3.23Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.4Å |
| 54 | L | 81 | Confident | 71.9 | Confident | 105 Ų | 105 | 114.6 Ų | 114.6 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -40.6 | 175.7 | -112.4 | 73.9 | 0 | 0 | 0 | 111 | W50 V51 I57 F58 | W50-L54 HydrophobicContact CE3-CD1 4.16Å; W50-L54 WeakPolarHBondContact O-CB 3.49Å; W50-L54 PolarHBondContact O-N 2.82Å; V51-L54 PolarHBondContact O-N 2.87Å; L54-I57 PolarHBondContact O-N 3.4Å; L54-F58 WeakPolarHBondContact O-CB 3.27Å; L54-F58 PolarHBondContact O-N 2.8Å |
| 55 | K | 72.9 | Confident | 70.4 | Confident | 158 Ų | 158 | 117.1 Ų | 117.1 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.9 | -40.6 | 179.7 | -165.8 | 166.3 | 172.8 | 82 | 0 | 111.2 | V51 S52 L53 F58 W59 | V51-K55 VanDerWaalsContact O-CB 3.24Å; V51-K55 WeakPolarHBondContact O-CB 3.32Å; V51-K55 PolarHBondContact O-N 3.17Å; S52-K55 PolarHBondContact O-N 2.98Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.39Å; K55-F58 PolarHBondContact O-N 2.85Å; K55-W59 WeakPolarHBondContact O-CB 3.23Å; K55-W59 PolarHBondContact O-N 3.49Å |
| 56 | T | 70.5 | Confident | 68.8 | Low | 90 Ų | 90 | 111.3 Ų | 111.3 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.4 | -41.2 | 174.1 | 52 | 0 | 0 | 0 | 0 | 112.4 | S52 L53 S60 | S52-T56 WeakPolarHBondContact O-CG2 3.24Å; S52-T56 PolarHBondContact O-N 3.2Å; S52-T56 PolarHBondContact O-OG1 3Å; L53-T56 WeakPolarHBondContact CA-OG1 3.31Å; L53-T56 PolarHBondContact O-N 3.47Å; L53-T56 PolarHBondContact O-OG1 3.26Å; T56-S60 VanDerWaalsContact O-CB 3.3Å; T56-S60 WeakPolarHBondContact O-CB 3.47Å; T56-S60 PolarHBondContact O-N 2.91Å |
| 57 | I | 71.3 | Confident | 67.1 | Low | 92 Ų | 92 | 111.5 Ų | 111.5 | 47% | 0.472 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.8 | -40.5 | 176.4 | -66.7 | 167 | 0 | 0 | 0 | 111.6 | L53 L54 S60 R61 | L53-I57 HydrophobicContact CD2-CD1 4.03Å; L53-I57 HydrophobicContact CG-CD1 3.95Å; L53-I57 WeakPolarHBondContact O-CB 3.32Å; L53-I57 WeakPolarHBondContact O-CD1 3.21Å; L53-I57 VanDerWaalsContact O-CG1 3.23Å; L53-I57 WeakPolarHBondContact O-CG1 3.44Å; L53-I57 PolarHBondContact O-N 3.4Å; L54-I57 PolarHBondContact O-N 3.4Å; I57-S60 WeakPolarHBondContact O-CB 3.15Å; I57-S60 PolarHBondContact O-N 3.42Å; I57-R61 PolarHBondContact O-N 3.45Å |
| 58 | F | 59.7 | Low | 65.4 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 55% | 0.548 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.1 | -35.2 | -178.2 | -156.6 | -100.8 | 0 | 0 | 0 | 111.9 | L54 K55 R61 N62 | L54-F58 WeakPolarHBondContact O-CB 3.27Å; L54-F58 PolarHBondContact O-N 2.8Å; K55-F58 PolarHBondContact O-N 2.85Å; F58-R61 PolarHBondContact O-N 2.96Å; F58-R61 VanDerWaalsContact O-N 3.12Å; F58-N62 WeakPolarHBondContact CE1-ND2 3.31Å; F58-N62 PolarHBondContact O-N 3.39Å |
| 59 | W | 52.3 | Low | 63.9 | Low | 215 Ų | 215 | 107.2 Ų | 107.2 | 81% | 0.814 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.4 | -36.1 | 172.4 | -152 | 43.8 | 0 | 0 | 0 | 111.8 | K55 R61 N62 G63 | K55-W59 WeakPolarHBondContact O-CB 3.23Å; K55-W59 PolarHBondContact O-N 3.49Å; W59-R61 PolarHBondContact O-N 2.85Å; W59-N62 PolarHBondContact O-N 2.85Å; W59-G63 PolarHBondContact O-N 3.22Å |
| 60 | S | 53.1 | Low | 62.4 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.1 | -24.8 | 168.9 | 159.2 | 0 | 0 | 0 | 0 | 113.5 | T56 I57 | T56-S60 VanDerWaalsContact O-CB 3.3Å; T56-S60 WeakPolarHBondContact O-CB 3.47Å; T56-S60 PolarHBondContact O-N 2.91Å; I57-S60 WeakPolarHBondContact O-CB 3.15Å; I57-S60 PolarHBondContact O-N 3.42Å |
| 61 | R | 49.3 | Very low | 60.8 | Low | 186 Ų | 186 | 106.6 Ų | 106.6 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -96.8 | -24.8 | -178.2 | -163.5 | 137.1 | 78.8 | -177.8 | 6.6 | 114 | I57 F58 W59 | I57-R61 PolarHBondContact O-N 3.45Å; F58-R61 PolarHBondContact O-N 2.96Å; F58-R61 VanDerWaalsContact O-N 3.12Å; W59-R61 PolarHBondContact O-N 2.85Å |
| 62 | N | 46.3 | Very low | 59.5 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -96 | -7.2 | -178.8 | -77.6 | 13.2 | 0 | 0 | 0 | 114.6 | F58 W59 | F58-N62 WeakPolarHBondContact CE1-ND2 3.31Å; F58-N62 PolarHBondContact O-N 3.39Å; W59-N62 PolarHBondContact O-N 2.85Å |
| 63 | G | 49.3 | Very low | 58.5 | Low | 60 Ų | 60 | 114.3 Ų | 114.3 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -106.2 | 12.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | W59 | W59-G63 PolarHBondContact O-N 3.22Š|
| 64 | H | 50.7 | Low | 57.4 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | trans | -119.1 | 31.2 | -164.6 | -119.6 | 23.1 | 0 | 0 | 0 | 115.9 | T68 | H64-T68 VanDerWaalsContact CE1-CG2 3.44Å; H64-T68 WeakPolarHBondContact CE1-CG2 3.28Å | ||
| 65 | D | 50.1 | Low | 56.2 | Low | 165 Ų | 165 | 115.1 Ų | 115.1 | 88% | 0.882 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -113.1 | 29.5 | -177.8 | -77.4 | -19.5 | 0 | 0 | 0 | 114.9 | ||
| 66 | G | 52.1 | Low | 55.3 | Low | 45 Ų | 45 | 115.7 Ų | 115.7 | 46% | 0.464 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -161.7 | -34.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 67 | S | 52.5 | Low | 54.7 | Low | 81 Ų | 81 | 114.9 Ų | 114.9 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -81.4 | -25.7 | -172.6 | 179.8 | 0 | 0 | 0 | 0 | 114.4 | Q71 | S67-Q71 PolarHBondContact O-N 3.35Å |
| 68 | T | 54 | Low | 54.1 | Low | 55 Ų | 55 | 115.4 Ų | 115.4 | 34% | 0.337 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.8 | -33.2 | -177.1 | 30.7 | 0 | 0 | 0 | 0 | 112.4 | H64 Q72 | H64-T68 VanDerWaalsContact CE1-CG2 3.44Å; H64-T68 WeakPolarHBondContact CE1-CG2 3.28Å; T68-Q72 WeakPolarHBondContact O-CB 3.5Å; T68-Q72 PolarHBondContact O-N 2.87Å |
| 69 | D | 57.4 | Low | 53.9 | Low | 97 Ų | 97 | 116 Ų | 116 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -41.5 | 177.9 | -169 | 67.6 | 0 | 0 | 0 | 111.7 | Q72 R73 | D69-Q72 PolarHBondContact O-N 3.4Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.83Å |
| 70 | V | 56 | Low | 54.1 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 61% | 0.606 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.6 | -45.3 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | R73 A74 | V70-R73 PolarHBondContact O-N 3.4Å; V70-A74 WeakPolarHBondContact O-CB 3.28Å; V70-A74 PolarHBondContact O-N 2.91Å |
| 71 | Q | 54 | Low | 54.1 | Low | 145 Ų | 145 | 121 Ų | 121 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.5 | -35.3 | 177 | -71.4 | -148.7 | -18.8 | 0 | 0 | 112.5 | S67 W75 | S67-Q71 PolarHBondContact O-N 3.35Å; Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.23Å; Q71-W75 PolarHBondContact O-N 3.36Å |
| 72 | Q | 56.7 | Low | 54.1 | Low | 110 Ų | 110 | 117.2 Ų | 117.2 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.7 | -31.2 | 177.5 | -167 | 151.3 | -21.8 | 0 | 0 | 112.3 | T68 D69 R76 | T68-Q72 WeakPolarHBondContact O-CB 3.5Å; T68-Q72 PolarHBondContact O-N 2.87Å; D69-Q72 PolarHBondContact O-N 3.4Å; Q72-R76 WeakPolarHBondContact O-CB 3.24Å; Q72-R76 WeakPolarHBondContact O-CG 3.49Å; Q72-R76 PolarHBondContact O-N 2.87Å |
| 73 | R | 59.9 | Low | 54.4 | Low | 180 Ų | 180 | 117.2 Ų | 117.2 | 68% | 0.679 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.6 | -42.1 | 171.3 | -174 | 175.3 | -87.1 | 170.7 | -4.5 | 111.7 | D69 V70 R76 S77 | D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.83Å; V70-R73 PolarHBondContact O-N 3.4Å; R73-R76 PolarHBondContact O-N 2.9Å; R73-S77 PolarHBondContact O-N 3.38Å |
| 74 | A | 56.6 | Low | 54.7 | Low | 50 Ų | 50 | 116.6 Ų | 116.6 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -38.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | V70 S77 N78 | V70-A74 WeakPolarHBondContact O-CB 3.28Å; V70-A74 PolarHBondContact O-N 2.91Å; A74-S77 PolarHBondContact O-N 3.36Å; A74-S77 PolarHBondContact O-OG 3.48Å; A74-S77 VanDerWaalsContact O-OG 3.07Å; A74-N78 PolarHBondContact O-N 3.3Å; A74-N78 VanDerWaalsContact O-N 3.1Å |
| 75 | W | 54.8 | Low | 54.5 | Low | 157 Ų | 157 | 117.4 Ų | 117.4 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -38.9 | 175.9 | -169.8 | 82.6 | 0 | 0 | 0 | 112.4 | Q71 R79 | Q71-W75 VanDerWaalsContact O-CB 3.26Å; Q71-W75 WeakPolarHBondContact O-CB 3.23Å; Q71-W75 PolarHBondContact O-N 3.36Å; W75-R79 WeakPolarHBondContact O-CB 3.37Å; W75-R79 PolarHBondContact O-N 3.24Å; W75-R79 VanDerWaalsContact O-N 3.1Å |
| 76 | R | 55.3 | Low | 54.4 | Low | 170 Ų | 170 | 118.3 Ų | 118.3 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66 | -33.9 | 174.1 | -81.9 | -173.1 | 178.2 | 162.2 | 1.1 | 112.9 | Q72 R73 | Q72-R76 WeakPolarHBondContact O-CB 3.24Å; Q72-R76 WeakPolarHBondContact O-CG 3.49Å; Q72-R76 PolarHBondContact O-N 2.87Å; R73-R76 PolarHBondContact O-N 2.9Å |
| 77 | S | 56.3 | Low | 54.3 | Low | 74 Ų | 74 | 120.8 Ų | 120.8 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.7 | -38.9 | 177.3 | 79.3 | 0 | 0 | 0 | 0 | 112.3 | R73 A74 R79 R80 R81 | R73-S77 PolarHBondContact O-N 3.38Å; A74-S77 PolarHBondContact O-N 3.36Å; A74-S77 PolarHBondContact O-OG 3.48Å; A74-S77 VanDerWaalsContact O-OG 3.07Å; S77-R79 VanDerWaalsContact C-N 3.35Å; S77-R79 PolarHBondContact O-N 3.5Å; S77-R80 PolarHBondContact O-N 3.4Å; S77-R81 PolarHBondContact O-N 2.86Å |
| 78 | N | 58.7 | Low | 54.1 | Low | 102 Ų | 102 | 123.9 Ų | 123.9 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.9 | -30.8 | 177.6 | -111.9 | -37.1 | 0 | 0 | 0 | 113 | A74 R81 Q82 | A74-N78 PolarHBondContact O-N 3.3Å; A74-N78 VanDerWaalsContact O-N 3.1Å; N78-R81 PolarHBondContact O-N 3.41Å; N78-Q82 PolarHBondContact O-N 2.98Å |
| 79 | R | 55.5 | Low | 53.9 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 176.6 | -168.4 | 166.6 | -176 | 167.6 | 2.7 | 112.6 | W75 S77 Q82 E83 | W75-R79 WeakPolarHBondContact O-CB 3.37Å; W75-R79 PolarHBondContact O-N 3.24Å; W75-R79 VanDerWaalsContact O-N 3.1Å; S77-R79 VanDerWaalsContact C-N 3.35Å; S77-R79 PolarHBondContact O-N 3.5Å; R79-Q82 PolarHBondContact O-N 2.85Å; R79-E83 IonicContact NE-OE1 3.93Å; R79-E83 WeakPolarHBondContact O-CG 3.3Å; R79-E83 PolarHBondContact O-N 2.89Å; R79-E83 VanDerWaalsContact O-N 3.08Å |
| 80 | R | 57.1 | Low | 53.5 | Low | 206 Ų | 206 | 129.4 Ų | 129.4 | 78% | 0.777 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.4 | -36.1 | 175.1 | -70.9 | -169.7 | -178 | -170.1 | 1 | 112.7 | S77 G84 | S77-R80 PolarHBondContact O-N 3.4Å; R80-G84 PolarHBondContact O-N 3.31Å |
| 81 | R | 52.5 | Low | 53 | Low | 200 Ų | 200 | 132.4 Ų | 132.4 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.2 | -36 | 173.6 | -97.1 | -170.1 | -179.9 | -172.9 | 1.1 | 113.2 | S77 N78 L85 | S77-R81 PolarHBondContact O-N 2.86Å; N78-R81 PolarHBondContact O-N 3.41Å; R81-L85 PolarHBondContact O-N 3.38Å |
| 82 | Q | 50.9 | Low | 52.8 | Low | 105 Ų | 105 | 131.4 Ų | 131.4 | 49% | 0.491 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73 | -30.3 | 175.3 | -81.8 | -146.1 | 2.5 | 0 | 0 | 113.6 | N78 R79 G84 L85 R86 | N78-Q82 PolarHBondContact O-N 2.98Å; R79-Q82 PolarHBondContact O-N 2.85Å; Q82-G84 VanDerWaalsContact C-N 3.29Å; Q82-G84 PolarHBondContact O-N 3.45Å; Q82-L85 PolarHBondContact O-N 2.86Å; Q82-R86 VanDerWaalsContact O-CB 3.3Å; Q82-R86 WeakPolarHBondContact O-CB 3.49Å; Q82-R86 VanDerWaalsContact O-CG 3.25Å; Q82-R86 WeakPolarHBondContact O-CG 3.38Å; Q82-R86 PolarHBondContact O-N 2.93Å |
| 83 | E | 52.8 | Low | 51.9 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 52% | 0.519 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66 | -31.9 | 175.6 | -77 | 163.5 | -174.4 | 0 | 0 | 111.8 | R79 | R79-E83 IonicContact NE-OE1 3.93Å; R79-E83 WeakPolarHBondContact O-CG 3.3Å; R79-E83 PolarHBondContact O-N 2.89Å; R79-E83 VanDerWaalsContact O-N 3.08Å |
| 84 | G | 54.3 | Low | 51.2 | Low | 46 Ų | 46 | 137 Ų | 137 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76 | -26.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R80 Q82 S87 | R80-G84 PolarHBondContact O-N 3.31Å; Q82-G84 VanDerWaalsContact C-N 3.29Å; Q82-G84 PolarHBondContact O-N 3.45Å; G84-S87 PolarHBondContact O-OG 3.27Å |
| 85 | L | 47.7 | Very low | 50.5 | Low | 128 Ų | 128 | 145.8 Ų | 145.8 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -88.9 | -22.6 | 175.8 | -76.6 | 167.8 | 0 | 0 | 0 | 113.2 | R81 Q82 S87 | R81-L85 PolarHBondContact O-N 3.38Å; Q82-L85 PolarHBondContact O-N 2.86Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.22Å |
| 86 | R | 47.6 | Very low | 49.7 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 70% | 0.698 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -17 | 178.6 | -83.5 | 179.4 | -178 | -155.9 | 2.4 | 114.1 | Q82 I88 | Q82-R86 VanDerWaalsContact O-CB 3.3Å; Q82-R86 WeakPolarHBondContact O-CB 3.49Å; Q82-R86 VanDerWaalsContact O-CG 3.25Å; Q82-R86 WeakPolarHBondContact O-CG 3.38Å; Q82-R86 PolarHBondContact O-N 2.93Å; R86-I88 VanDerWaalsContact C-N 3.35Å |
| 87 | S | 49.2 | Very low | 49.5 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -11.4 | 176 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | G84 L85 | G84-S87 PolarHBondContact O-OG 3.27Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 3.22Å |
| 88 | I | 48.6 | Very low | 49.4 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -14.9 | -175.6 | -57 | 177.6 | 0 | 0 | 0 | 112.9 | R86 | R86-I88 VanDerWaalsContact C-N 3.35Š|
| 89 | C | 49.3 | Very low | 48.7 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | -120.6 | 77.2 | -177.4 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 90 | M | 50.5 | Low | 48.4 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -98.3 | 89.9 | 154.1 | -90.9 | -95.6 | 100.1 | 0 | 0 | 107.5 | ||||
| 91 | H | 43.9 | Very low | 48 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -153.2 | 116.7 | 150.4 | -100.5 | -72.5 | 0 | 0 | 0 | 111.1 | ||||
| 92 | T | 50.5 | Low | 48.1 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 46.3 | 89.9 | 156.2 | 59.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 93 | K | 37.6 | Very low | 48.4 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -121.4 | 98.1 | 143.9 | -88.3 | -175.2 | 177.1 | 177.7 | 0 | 109.9 | R95 | K93-R95 PolarHBondContact O-N 3.41Å; K93-R95 VanDerWaalsContact O-N 3.1Å | ||
| 94 | K | 45.3 | Very low | 48.6 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 90% | 0.904 | 74% | 0.742 | S | S | * | * | trans | -51.5 | 113.4 | 161.6 | -81.1 | -176.6 | 175.7 | 178.1 | 0 | 107.7 | V96 | K94-V96 PolarHBondContact O-N 2.84Š| ||
| 95 | R | 42.2 | Very low | 48.7 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -85.5 | 107.5 | 168.2 | -72.5 | -171.1 | 177.1 | -164.4 | -1 | 107.6 | K93 S97 | K93-R95 PolarHBondContact O-N 3.41Å; K93-R95 VanDerWaalsContact O-N 3.1Å; R95-S97 PolarHBondContact O-N 3.49Å; R95-S97 VanDerWaalsContact O-N 3.07Å | ||
| 96 | V | 38.7 | Very low | 49.7 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -59.6 | 109.7 | 163.7 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | K94 | K94-V96 PolarHBondContact O-N 2.84Š| ||
| 97 | S | 51.3 | Low | 50.7 | Low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | -87 | 104.4 | 176.2 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | R95 | R95-S97 PolarHBondContact O-N 3.49Å; R95-S97 VanDerWaalsContact O-N 3.07Å | ||
| 98 | S | 52.8 | Low | 51.7 | Low | 84 Ų | 84 | 144.2 Ų | 144.2 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | trans | -157.8 | 90.1 | 164.4 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 99 | F | 44 | Very low | 52.8 | Low | 198 Ų | 198 | 141.3 Ų | 141.3 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | trans | -159.4 | 91.5 | 141.1 | -95.7 | -69.9 | 0 | 0 | 0 | 107.9 | ||||
| 100 | R | 48.5 | Very low | 54.1 | Low | 257 Ų | 257 | 140 Ų | 140 | 97% | 0.97 | 70% | 0.703 | S | S | * | * | trans | -101.7 | 65.5 | 176.7 | -169.4 | -177.4 | -171.6 | -132.9 | 4 | 108 | ||||
| 101 | G | 49.6 | Very low | 55.6 | Low | 58 Ų | 58 | 135.6 Ų | 135.6 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -121.4 | -58.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 102 | N | 55.4 | Low | 57.2 | Low | 134 Ų | 134 | 132.9 Ų | 132.9 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -114.1 | 14.9 | -166.1 | -86.6 | 6.6 | 0 | 0 | 0 | 116.1 | I104 | N102-I104 VanDerWaalsContact C-N 3.32Å; N102-I104 PolarHBondContact O-N 3.42Å |
| 103 | K | 55.9 | Low | 58.7 | Low | 144 Ų | 144 | 135.1 Ų | 135.1 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -20.4 | -174.3 | -69.2 | -176.7 | -176.8 | 177.6 | 0 | 114.1 | K107 | K103-K107 WeakPolarHBondContact O-CB 3.18Å; K103-K107 VanDerWaalsContact O-CD 3.24Å; K103-K107 WeakPolarHBondContact O-CD 3.07Å; K103-K107 WeakPolarHBondContact O-CG 3.41Å |
| 104 | I | 58 | Low | 60.8 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.1 | -55.4 | -176.7 | -61.4 | 169.7 | 0 | 0 | 0 | 109.4 | N102 L106 K107 D108 | N102-I104 VanDerWaalsContact C-N 3.32Å; N102-I104 PolarHBondContact O-N 3.42Å; I104-L106 PolarHBondContact O-N 3.08Å; I104-K107 WeakPolarHBondContact O-CB 3.37Å; I104-K107 PolarHBondContact O-N 2.65Å; I104-K107 VanDerWaalsContact O-N 3.14Å; I104-D108 PolarHBondContact O-N 2.96Å; I104-D108 VanDerWaalsContact O-N 3.08Å |
| 105 | V | 56.9 | Low | 62.6 | Low | 97 Ų | 97 | 128.3 Ų | 128.3 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.8 | -43.3 | -178.8 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | K107 D108 V109 | V105-K107 VanDerWaalsContact C-N 3.35Å; V105-K107 PolarHBondContact O-N 3.35Å; V105-D108 PolarHBondContact O-N 3.3Å; V105-V109 HydrophobicContact CG1-CG2 4.44Å; V105-V109 VanDerWaalsContact O-CG2 3.3Å; V105-V109 WeakPolarHBondContact O-CG2 3.46Å; V105-V109 PolarHBondContact O-N 3.47Å |
| 106 | L | 68.1 | Low | 64.6 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.6 | -37 | 179.6 | -177.4 | 63 | 0 | 0 | 0 | 112.2 | I104 D108 V109 I110 | I104-L106 PolarHBondContact O-N 3.08Å; L106-D108 VanDerWaalsContact C-N 3.33Å; L106-V109 PolarHBondContact O-N 2.88Å; L106-I110 HydrophobicContact CD1-CD1 4.03Å; L106-I110 HydrophobicContact CD1-CG1 4.32Å; L106-I110 HydrophobicContact CD2-CD1 4.49Å; L106-I110 HydrophobicContact CG-CD1 3.82Å; L106-I110 HydrophobicContact CG-CG1 4.5Å; L106-I110 WeakPolarHBondContact O-CB 3.41Å; L106-I110 WeakPolarHBondContact O-CD1 3.07Å; L106-I110 WeakPolarHBondContact O-CG1 3.35Å; L106-I110 PolarHBondContact O-N 3.3Å |
| 107 | K | 68.1 | Low | 66.7 | Low | 135 Ų | 135 | 117.6 Ų | 117.6 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.7 | -42.8 | 175.6 | -78.1 | 175.7 | -175.6 | -176 | 0 | 110.5 | K103 I104 V105 I110 T111 | K103-K107 WeakPolarHBondContact O-CB 3.18Å; K103-K107 VanDerWaalsContact O-CD 3.24Å; K103-K107 WeakPolarHBondContact O-CD 3.07Å; K103-K107 WeakPolarHBondContact O-CG 3.41Å; I104-K107 WeakPolarHBondContact O-CB 3.37Å; I104-K107 PolarHBondContact O-N 2.65Å; I104-K107 VanDerWaalsContact O-N 3.14Å; V105-K107 VanDerWaalsContact C-N 3.35Å; V105-K107 PolarHBondContact O-N 3.35Å; K107-I110 PolarHBondContact O-N 2.83Å; K107-T111 WeakPolarHBondContact O-CG2 3.28Å; K107-T111 PolarHBondContact O-N 2.86Å; K107-T111 PolarHBondContact O-OG1 3.13Å; K107-T111 VanDerWaalsContact O-OG1 3.09Å |
| 108 | D | 71.3 | Confident | 68.4 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.1 | -36.5 | -179.6 | -64.4 | -26.1 | 0 | 0 | 0 | 112.6 | I104 V105 L106 T111 L112 | I104-D108 PolarHBondContact O-N 2.96Å; I104-D108 VanDerWaalsContact O-N 3.08Å; V105-D108 PolarHBondContact O-N 3.3Å; L106-D108 VanDerWaalsContact C-N 3.33Å; D108-T111 VanDerWaalsContact CA-OG1 3.31Å; D108-T111 WeakPolarHBondContact CA-OG1 3.46Å; D108-T111 PolarHBondContact O-OG1 3.41Å; D108-L112 WeakPolarHBondContact O-CB 3.28Å; D108-L112 PolarHBondContact O-N 3.24Å |
| 109 | V | 71.3 | Confident | 70.1 | Confident | 84 Ų | 84 | 118 Ų | 118 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111.2 | V105 L106 R113 | V105-V109 HydrophobicContact CG1-CG2 4.44Å; V105-V109 VanDerWaalsContact O-CG2 3.3Å; V105-V109 WeakPolarHBondContact O-CG2 3.46Å; V105-V109 PolarHBondContact O-N 3.47Å; L106-V109 PolarHBondContact O-N 2.88Å; V109-R113 VanDerWaalsContact O-CB 3.31Å; V109-R113 WeakPolarHBondContact O-CB 3.25Å; V109-R113 PolarHBondContact O-N 3.28Å |
| 110 | I | 77.1 | Confident | 72.2 | Confident | 70 Ų | 70 | 112 Ų | 112 | 36% | 0.359 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.4 | -40.6 | 178.7 | -67.9 | 166.7 | 0 | 0 | 0 | 111.1 | L106 K107 R114 | L106-I110 HydrophobicContact CD1-CD1 4.03Å; L106-I110 HydrophobicContact CD1-CG1 4.32Å; L106-I110 HydrophobicContact CD2-CD1 4.49Å; L106-I110 HydrophobicContact CG-CD1 3.82Å; L106-I110 HydrophobicContact CG-CG1 4.5Å; L106-I110 WeakPolarHBondContact O-CB 3.41Å; L106-I110 WeakPolarHBondContact O-CD1 3.07Å; L106-I110 WeakPolarHBondContact O-CG1 3.35Å; L106-I110 PolarHBondContact O-N 3.3Å; K107-I110 PolarHBondContact O-N 2.83Å; I110-R114 WeakPolarHBondContact O-CB 3.3Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.49Å; I110-R114 PolarHBondContact O-N 3.46Å |
| 111 | T | 80.4 | Confident | 73.9 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 49% | 0.485 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 111 | K107 D108 R114 H115 | K107-T111 WeakPolarHBondContact O-CG2 3.28Å; K107-T111 PolarHBondContact O-N 2.86Å; K107-T111 PolarHBondContact O-OG1 3.13Å; K107-T111 VanDerWaalsContact O-OG1 3.09Å; D108-T111 VanDerWaalsContact CA-OG1 3.31Å; D108-T111 WeakPolarHBondContact CA-OG1 3.46Å; D108-T111 PolarHBondContact O-OG1 3.41Å; T111-R114 PolarHBondContact O-N 2.96Å; T111-H115 WeakPolarHBondContact O-CB 3.4Å; T111-H115 PolarHBondContact O-N 3.39Å |
| 112 | L | 77.8 | Confident | 75.6 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 175.9 | -173.9 | 64.8 | 0 | 0 | 0 | 111.5 | D108 R114 H115 V116 | D108-L112 WeakPolarHBondContact O-CB 3.28Å; D108-L112 PolarHBondContact O-N 3.24Å; L112-R114 PolarHBondContact O-N 2.98Å; L112-H115 PolarHBondContact O-N 3.05Å; L112-V116 WeakPolarHBondContact O-CG2 3.31Å; L112-V116 PolarHBondContact O-N 2.88Å |
| 113 | R | 82.9 | Confident | 76.9 | Confident | 170 Ų | 170 | 109 Ų | 109 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.4 | -47.7 | 175.3 | -179.3 | -178.6 | 167.5 | -168.9 | -0.4 | 111.5 | V109 H115 V116 E117 | V109-R113 VanDerWaalsContact O-CB 3.31Å; V109-R113 WeakPolarHBondContact O-CB 3.25Å; V109-R113 PolarHBondContact O-N 3.28Å; R113-H115 VanDerWaalsContact C-N 3.32Å; R113-H115 PolarHBondContact O-N 3.45Å; R113-V116 PolarHBondContact O-N 3.12Å; R113-E117 IonicContact CZ-OE1 3.93Å; R113-E117 IonicContact NE-OE1 3.57Å; R113-E117 PolarHBondContact NE-OE1 3.44Å; R113-E117 IonicContact NH2-OE1 3.05Å; R113-E117 PolarHBondContact NH2-OE1 2.81Å; R113-E117 VanDerWaalsContact NH2-OE1 3.14Å; R113-E117 WeakPolarHBondContact O-CB 3.3Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.26Å |
| 114 | R | 81.9 | Confident | 78.2 | Confident | 173 Ų | 173 | 107 Ų | 107 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 178.1 | -75.5 | 177 | 178.2 | -173.7 | 0.5 | 111.8 | I110 T111 L112 E117 T118 | I110-R114 WeakPolarHBondContact O-CB 3.3Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.49Å; I110-R114 PolarHBondContact O-N 3.46Å; T111-R114 PolarHBondContact O-N 2.96Å; L112-R114 PolarHBondContact O-N 2.98Å; R114-E117 PolarHBondContact O-N 3.31Å; R114-T118 WeakPolarHBondContact O-CG2 2.98Å; R114-T118 PolarHBondContact O-N 2.92Å; R114-T118 PolarHBondContact O-OG1 2.85Å |
| 115 | H | 82.8 | Confident | 79.2 | Confident | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 178.4 | 173.4 | -105 | 0 | 0 | 0 | 112.8 | T111 L112 R113 T118 K119 | T111-H115 WeakPolarHBondContact O-CB 3.4Å; T111-H115 PolarHBondContact O-N 3.39Å; L112-H115 PolarHBondContact O-N 3.05Å; R113-H115 VanDerWaalsContact C-N 3.32Å; R113-H115 PolarHBondContact O-N 3.45Å; H115-T118 PolarHBondContact O-OG1 3.12Å; H115-K119 VanDerWaalsContact CE1-CE 3.41Å; H115-K119 WeakPolarHBondContact CE1-CE 3.3Å; H115-K119 PolarHBondContact CE1-NZ 3.38Å; H115-K119 VanDerWaalsContact NE2-CE 3.26Å; H115-K119 WeakPolarHBondContact NE2-CE 3.28Å; H115-K119 PolarHBondContact O-N 3.17Å; H115-K119 VanDerWaalsContact O-N 3.11Å |
| 116 | V | 84.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 112.8 Ų | 112.8 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | L112 R113 T118 K119 V120 | L112-V116 WeakPolarHBondContact O-CG2 3.31Å; L112-V116 PolarHBondContact O-N 2.88Å; R113-V116 PolarHBondContact O-N 3.12Å; V116-T118 PolarHBondContact O-N 2.81Å; V116-K119 PolarHBondContact O-N 3.08Å; V116-V120 HydrophobicContact CG1-CG2 4.3Å; V116-V120 WeakPolarHBondContact O-CG2 3.03Å; V116-V120 PolarHBondContact O-N 2.85Å |
| 117 | E | 81.1 | Confident | 80.5 | Confident | 67 Ų | 67 | 116.7 Ų | 116.7 | 31% | 0.313 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 177.6 | -76.7 | -177.7 | -169.9 | 0 | 0 | 112.2 | R113 R114 V120 R121 | R113-E117 IonicContact CZ-OE1 3.93Å; R113-E117 IonicContact NE-OE1 3.57Å; R113-E117 PolarHBondContact NE-OE1 3.44Å; R113-E117 IonicContact NH2-OE1 3.05Å; R113-E117 PolarHBondContact NH2-OE1 2.81Å; R113-E117 VanDerWaalsContact NH2-OE1 3.14Å; R113-E117 WeakPolarHBondContact O-CB 3.3Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.26Å; R114-E117 PolarHBondContact O-N 3.31Å; E117-V120 PolarHBondContact O-N 3.37Å; E117-R121 WeakPolarHBondContact O-CB 3.41Å; E117-R121 VanDerWaalsContact O-CG 3.23Å; E117-R121 WeakPolarHBondContact O-CG 2.8Å; E117-R121 PolarHBondContact O-N 3.25Å |
| 118 | T | 88.3 | Confident | 80.7 | Confident | 86 Ų | 86 | 118.1 Ų | 118.1 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.3 | 56 | 0 | 0 | 0 | 0 | 111.9 | R114 H115 V116 R121 A122 | R114-T118 WeakPolarHBondContact O-CG2 2.98Å; R114-T118 PolarHBondContact O-N 2.92Å; R114-T118 PolarHBondContact O-OG1 2.85Å; H115-T118 PolarHBondContact O-OG1 3.12Å; V116-T118 PolarHBondContact O-N 2.81Å; T118-R121 PolarHBondContact O-N 3.5Å; T118-A122 VanDerWaalsContact O-CB 3.31Å; T118-A122 WeakPolarHBondContact O-CB 3.02Å; T118-A122 PolarHBondContact O-N 3.22Å |
| 119 | K | 88.1 | Confident | 80.6 | Confident | 121 Ų | 121 | 117.3 Ų | 117.3 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 174.3 | -80.7 | -169.6 | 172.9 | 179.7 | 0 | 112.3 | H115 V116 A122 K123 | H115-K119 VanDerWaalsContact CE1-CE 3.41Å; H115-K119 WeakPolarHBondContact CE1-CE 3.3Å; H115-K119 PolarHBondContact CE1-NZ 3.38Å; H115-K119 VanDerWaalsContact NE2-CE 3.26Å; H115-K119 WeakPolarHBondContact NE2-CE 3.28Å; H115-K119 PolarHBondContact O-N 3.17Å; H115-K119 VanDerWaalsContact O-N 3.11Å; V116-K119 PolarHBondContact O-N 3.08Å; K119-A122 PolarHBondContact O-N 3.48Å; K119-K123 WeakPolarHBondContact O-CB 3.28Å; K119-K123 WeakPolarHBondContact O-CG 3.41Å; K119-K123 PolarHBondContact O-N 3.38Å |
| 120 | V | 88.9 | Confident | 80.1 | Confident | 74 Ų | 74 | 117 Ų | 117 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V116 E117 A122 K123 I124 | V116-V120 HydrophobicContact CG1-CG2 4.3Å; V116-V120 WeakPolarHBondContact O-CG2 3.03Å; V116-V120 PolarHBondContact O-N 2.85Å; E117-V120 PolarHBondContact O-N 3.37Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 3.2Å; V120-K123 PolarHBondContact O-N 2.87Å; V120-I124 HydrophobicContact CG1-CD1 3.74Å; V120-I124 HydrophobicContact CG1-CG1 4.37Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.3Å; V120-I124 PolarHBondContact O-N 2.96Å |
| 121 | R | 83.2 | Confident | 79.4 | Confident | 176 Ų | 176 | 117.3 Ų | 117.3 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.8 | -41.4 | 175.8 | -73.8 | 176.4 | -175.4 | -158.6 | 3.9 | 112.2 | E117 T118 I124 R125 | E117-R121 WeakPolarHBondContact O-CB 3.41Å; E117-R121 VanDerWaalsContact O-CG 3.23Å; E117-R121 WeakPolarHBondContact O-CG 2.8Å; E117-R121 PolarHBondContact O-N 3.25Å; T118-R121 PolarHBondContact O-N 3.5Å; R121-I124 PolarHBondContact O-N 2.84Å; R121-R125 WeakPolarHBondContact O-CB 3.39Å; R121-R125 PolarHBondContact O-N 2.9Å |
| 122 | A | 85.1 | Confident | 78.4 | Confident | 51 Ų | 51 | 121.3 Ų | 121.3 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T118 K119 V120 R125 K126 | T118-A122 VanDerWaalsContact O-CB 3.31Å; T118-A122 WeakPolarHBondContact O-CB 3.02Å; T118-A122 PolarHBondContact O-N 3.22Å; K119-A122 PolarHBondContact O-N 3.48Å; V120-A122 VanDerWaalsContact C-N 3.34Å; V120-A122 PolarHBondContact O-N 3.2Å; A122-R125 PolarHBondContact O-N 3.07Å; A122-K126 WeakPolarHBondContact O-CB 3.33Å; A122-K126 WeakPolarHBondContact O-CG 3.32Å; A122-K126 PolarHBondContact O-N 3.13Å |
| 123 | K | 83.6 | Confident | 77.4 | Confident | 157 Ų | 157 | 121.3 Ų | 121.3 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 173.7 | -77.3 | -178.1 | 177.9 | -175.8 | 0 | 112 | K119 V120 K126 R127 | K119-K123 WeakPolarHBondContact O-CB 3.28Å; K119-K123 WeakPolarHBondContact O-CG 3.41Å; K119-K123 PolarHBondContact O-N 3.38Å; V120-K123 PolarHBondContact O-N 2.87Å; K123-K126 PolarHBondContact O-N 3.08Å; K123-R127 VanDerWaalsContact O-CB 3.28Å; K123-R127 WeakPolarHBondContact O-CB 3.47Å; K123-R127 PolarHBondContact O-N 3.07Å |
| 124 | I | 82.1 | Confident | 76.2 | Confident | 102 Ų | 102 | 118.9 Ų | 118.9 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -44.7 | 175.9 | -68.1 | 167.1 | 0 | 0 | 0 | 110.6 | V120 R121 R127 K128 | V120-I124 HydrophobicContact CG1-CD1 3.74Å; V120-I124 HydrophobicContact CG1-CG1 4.37Å; V120-I124 VanDerWaalsContact O-CG1 3.28Å; V120-I124 WeakPolarHBondContact O-CG1 3.3Å; V120-I124 PolarHBondContact O-N 2.96Å; R121-I124 PolarHBondContact O-N 2.84Å; I124-R127 PolarHBondContact O-N 3.1Å; I124-K128 VanDerWaalsContact O-CB 3.31Å; I124-K128 WeakPolarHBondContact O-CB 3.46Å; I124-K128 PolarHBondContact O-N 3.34Å |
| 125 | R | 80.3 | Confident | 74.9 | Confident | 193 Ų | 193 | 119.6 Ų | 119.6 | 73% | 0.728 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.3 | -46.2 | 177.1 | -172.2 | 176.8 | 177.7 | 176.6 | -1 | 111.3 | R121 A122 K128 V129 | R121-R125 WeakPolarHBondContact O-CB 3.39Å; R121-R125 PolarHBondContact O-N 2.9Å; A122-R125 PolarHBondContact O-N 3.07Å; R125-K128 PolarHBondContact O-N 3.2Å; R125-V129 WeakPolarHBondContact O-CB 3.36Å; R125-V129 VanDerWaalsContact O-CG2 3.25Å; R125-V129 WeakPolarHBondContact O-CG2 3.28Å; R125-V129 PolarHBondContact O-N 2.94Å |
| 126 | K | 77.7 | Confident | 73.5 | Confident | 156 Ų | 156 | 122.3 Ų | 122.3 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.1 | -48.6 | 174.3 | -76.2 | -172.1 | 179 | -168.7 | 0 | 111.1 | A122 K123 K128 V129 T130 | A122-K126 WeakPolarHBondContact O-CB 3.33Å; A122-K126 WeakPolarHBondContact O-CG 3.32Å; A122-K126 PolarHBondContact O-N 3.13Å; K123-K126 PolarHBondContact O-N 3.08Å; K126-K128 PolarHBondContact O-N 3.42Å; K126-V129 PolarHBondContact O-N 3.28Å; K126-T130 WeakPolarHBondContact O-CG2 3.46Å; K126-T130 PolarHBondContact O-N 3.12Å; K126-T130 PolarHBondContact O-OG1 3.09Å; K126-T130 VanDerWaalsContact O-OG1 3.12Å |
| 127 | R | 73.3 | Confident | 72 | Confident | 191 Ų | 191 | 124.1 Ų | 124.1 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.9 | -44.5 | 177.1 | -168.7 | 177.8 | -178.1 | -156.4 | 1.5 | 112.1 | K123 I124 T130 T131 | K123-R127 VanDerWaalsContact O-CB 3.28Å; K123-R127 WeakPolarHBondContact O-CB 3.47Å; K123-R127 PolarHBondContact O-N 3.07Å; I124-R127 PolarHBondContact O-N 3.1Å; R127-T130 VanDerWaalsContact CA-OG1 3.3Å; R127-T130 WeakPolarHBondContact CA-OG1 3.43Å; R127-T130 PolarHBondContact O-N 2.94Å; R127-T130 PolarHBondContact O-OG1 2.94Å; R127-T131 WeakPolarHBondContact O-CB 3.41Å; R127-T131 PolarHBondContact O-N 2.89Å; R127-T131 PolarHBondContact O-OG1 3.46Å |
| 128 | K | 73 | Confident | 70.7 | Confident | 164 Ų | 164 | 128.5 Ų | 128.5 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -40.3 | 177.6 | -169.6 | 175.9 | -178.1 | 179.3 | 0 | 111.8 | I124 R125 K126 T131 K132 | I124-K128 VanDerWaalsContact O-CB 3.31Å; I124-K128 WeakPolarHBondContact O-CB 3.46Å; I124-K128 PolarHBondContact O-N 3.34Å; R125-K128 PolarHBondContact O-N 3.2Å; K126-K128 PolarHBondContact O-N 3.42Å; K128-T131 PolarHBondContact O-N 3.17Å; K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 3.23Å |
| 129 | V | 68.4 | Low | 69 | Low | 75 Ų | 75 | 131.2 Ų | 131.2 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.5 | -47.6 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | R125 K126 T131 K132 I133 | R125-V129 WeakPolarHBondContact O-CB 3.36Å; R125-V129 VanDerWaalsContact O-CG2 3.25Å; R125-V129 WeakPolarHBondContact O-CG2 3.28Å; R125-V129 PolarHBondContact O-N 2.94Å; K126-V129 PolarHBondContact O-N 3.28Å; V129-T131 VanDerWaalsContact C-N 3.32Å; V129-T131 PolarHBondContact O-N 3.28Å; V129-K132 WeakPolarHBondContact O-CB 3.28Å; V129-K132 PolarHBondContact O-N 3.44Å; V129-K132 VanDerWaalsContact O-N 3.08Å; V129-I133 HydrophobicContact CG1-CD1 3.8Å; V129-I133 HydrophobicContact CG1-CG1 4.43Å; V129-I133 WeakPolarHBondContact O-CG1 3.36Å; V129-I133 PolarHBondContact O-N 3.36Å |
| 130 | T | 60.5 | Low | 67.4 | Low | 77 Ų | 77 | 132 Ų | 132 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -36.7 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | K126 R127 K132 I133 N134 | K126-T130 WeakPolarHBondContact O-CG2 3.46Å; K126-T130 PolarHBondContact O-N 3.12Å; K126-T130 PolarHBondContact O-OG1 3.09Å; K126-T130 VanDerWaalsContact O-OG1 3.12Å; R127-T130 VanDerWaalsContact CA-OG1 3.3Å; R127-T130 WeakPolarHBondContact CA-OG1 3.43Å; R127-T130 PolarHBondContact O-N 2.94Å; R127-T130 PolarHBondContact O-OG1 2.94Å; T130-K132 VanDerWaalsContact C-N 3.32Å; T130-I133 PolarHBondContact O-N 3.17Å; T130-N134 WeakPolarHBondContact O-CB 3.48Å; T130-N134 PolarHBondContact O-N 2.9Å |
| 131 | T | 64.1 | Low | 65.6 | Low | 76 Ų | 76 | 131.2 Ų | 131.2 | 47% | 0.466 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.6 | -31.9 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | R127 K128 V129 R135 | R127-T131 WeakPolarHBondContact O-CB 3.41Å; R127-T131 PolarHBondContact O-N 2.89Å; R127-T131 PolarHBondContact O-OG1 3.46Å; K128-T131 PolarHBondContact O-N 3.17Å; V129-T131 VanDerWaalsContact C-N 3.32Å; V129-T131 PolarHBondContact O-N 3.28Å; T131-R135 PolarHBondContact O-N 3.47Å; T131-R135 VanDerWaalsContact O-N 3.13Å |
| 132 | K | 57.9 | Low | 64.3 | Low | 163 Ų | 163 | 131.8 Ų | 131.8 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.8 | -40.9 | 174 | -165.2 | -179.8 | 178.5 | -172.7 | 0 | 111.4 | K128 V129 T130 R135 H136 | K128-K132 WeakPolarHBondContact O-CB 3.43Å; K128-K132 PolarHBondContact O-N 3.23Å; V129-K132 WeakPolarHBondContact O-CB 3.28Å; V129-K132 PolarHBondContact O-N 3.44Å; V129-K132 VanDerWaalsContact O-N 3.08Å; T130-K132 VanDerWaalsContact C-N 3.32Å; K132-R135 WeakPolarHBondContact O-CB 3.42Å; K132-R135 PolarHBondContact O-N 3.28Å; K132-R135 VanDerWaalsContact O-N 3.1Å; K132-H136 PolarHBondContact O-N 3.27Å |
| 133 | I | 58.3 | Low | 62.8 | Low | 107 Ų | 107 | 139.9 Ų | 139.9 | 55% | 0.549 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61 | -46.5 | 173.7 | -65.8 | 165.9 | 0 | 0 | 0 | 110.1 | V129 T130 R135 H136 | V129-I133 HydrophobicContact CG1-CD1 3.8Å; V129-I133 HydrophobicContact CG1-CG1 4.43Å; V129-I133 WeakPolarHBondContact O-CG1 3.36Å; V129-I133 PolarHBondContact O-N 3.36Å; T130-I133 PolarHBondContact O-N 3.17Å; I133-R135 PolarHBondContact O-N 3.31Å; I133-R135 VanDerWaalsContact O-N 3.17Å; I133-H136 WeakPolarHBondContact O-CB 3.49Å; I133-H136 PolarHBondContact O-N 3.07Å |
| 134 | N | 56.1 | Low | 61.4 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.8 | -17.4 | 174.9 | -122.5 | -50.4 | 0 | 0 | 0 | 114.1 | T130 | T130-N134 WeakPolarHBondContact O-CB 3.48Å; T130-N134 PolarHBondContact O-N 2.9Å |
| 135 | R | 55.4 | Low | 60.3 | Low | 188 Ų | 188 | 137.1 Ų | 137.1 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.1 | -19.1 | 171.6 | -102 | -177.1 | -179.7 | 178.9 | -1.4 | 112.4 | T131 K132 I133 | T131-R135 PolarHBondContact O-N 3.47Å; T131-R135 VanDerWaalsContact O-N 3.13Å; K132-R135 WeakPolarHBondContact O-CB 3.42Å; K132-R135 PolarHBondContact O-N 3.28Å; K132-R135 VanDerWaalsContact O-N 3.1Å; I133-R135 PolarHBondContact O-N 3.31Å; I133-R135 VanDerWaalsContact O-N 3.17Å |
| 136 | H | 53.1 | Low | 59.7 | Low | 149 Ų | 149 | 130 Ų | 130 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84.3 | -17.1 | 179.1 | -140.6 | -67.4 | 0 | 0 | 0 | 113.1 | K132 I133 K138 | K132-H136 PolarHBondContact O-N 3.27Å; I133-H136 WeakPolarHBondContact O-CB 3.49Å; I133-H136 PolarHBondContact O-N 3.07Å; H136-K138 PolarHBondContact O-N 2.97Å; H136-K138 VanDerWaalsContact O-N 3.09Å |
| 137 | D | 53.3 | Low | 59.3 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 19.1 | 170.2 | -67.5 | -27.6 | 0 | 0 | 0 | 113.7 | I139 | D137-I139 VanDerWaalsContact C-N 3.29Å; D137-I139 PolarHBondContact O-N 3.23Å |
| 138 | K | 53 | Low | 59.4 | Low | 159 Ų | 159 | 129.5 Ų | 129.5 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | trans | -90.9 | 28.8 | 177.2 | -89.7 | -173.6 | 173.6 | -172.3 | 0 | 113.8 | H136 | H136-K138 PolarHBondContact O-N 2.97Å; H136-K138 VanDerWaalsContact O-N 3.09Å | ||
| 139 | I | 54 | Low | 59.4 | Low | 143 Ų | 143 | 127.8 Ų | 127.8 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | trans | -113.1 | 54 | 168.8 | -45.1 | 179.5 | 0 | 0 | 0 | 109.6 | D137 | D137-I139 VanDerWaalsContact C-N 3.29Å; D137-I139 PolarHBondContact O-N 3.23Å | ||
| 140 | N | 53.8 | Low | 60.2 | Low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 63% | 0.629 | S | S | * | * | trans | -147.7 | 58.2 | 161.8 | -105.5 | -30.8 | 0 | 0 | 0 | 109 | K142 | N140-K142 PolarHBondContact O-N 3.35Š| ||
| 141 | G | 51.7 | Low | 61.4 | Low | 59 Ų | 59 | 132.3 Ų | 132.3 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.7 | -16.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S145 | G141-S145 PolarHBondContact O-OG 3.15Å |
| 142 | K | 54.7 | Low | 62.3 | Low | 188 Ų | 188 | 134.9 Ų | 134.9 | 82% | 0.817 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.1 | -32.1 | -173.3 | -66 | -172.2 | 179.3 | -178 | 0 | 114.6 | N140 S145 | N140-K142 PolarHBondContact O-N 3.35Å; K142-S145 PolarHBondContact O-OG 2.99Å; K142-S145 VanDerWaalsContact O-OG 3.09Å |
| 143 | R | 53.6 | Low | 63.6 | Low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.1 | -29.4 | -175.9 | -152.3 | 174.1 | -171.8 | 171.9 | 2.4 | 113.2 | R147 | R143-R147 PolarHBondContact O-N 3.43Å |
| 144 | K | 54.4 | Low | 65.1 | Low | 146 Ų | 146 | 136.9 Ų | 136.9 | 64% | 0.635 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -79.8 | -31.5 | 179.6 | -69.8 | -176.2 | -178.4 | 173.7 | 0 | 112.7 | K148 | K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 WeakPolarHBondContact O-CG 3.15Å; K144-K148 PolarHBondContact O-N 3Å |
| 145 | S | 60.2 | Low | 66.6 | Low | 54 Ų | 54 | 134 Ų | 134 | 38% | 0.378 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -46.1 | 174.4 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | G141 K142 R147 K148 Q149 | G141-S145 PolarHBondContact O-OG 3.15Å; K142-S145 PolarHBondContact O-OG 2.99Å; K142-S145 VanDerWaalsContact O-OG 3.09Å; S145-R147 PolarHBondContact O-N 3.43Å; S145-K148 PolarHBondContact O-N 2.88Å; S145-Q149 WeakPolarHBondContact O-CB 3.48Å; S145-Q149 WeakPolarHBondContact O-CG 3.36Å; S145-Q149 PolarHBondContact O-N 3.22Å |
| 146 | A | 66.1 | Low | 68.2 | Low | 44 Ų | 44 | 129.3 Ų | 129.3 | 36% | 0.364 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.2 | -42.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q149 K150 | A146-Q149 PolarHBondContact O-N 3.01Å; A146-K150 WeakPolarHBondContact O-CG 3.34Å; A146-K150 PolarHBondContact O-N 3.36Å |
| 147 | R | 70.6 | Confident | 69.9 | Low | 186 Ų | 186 | 126.9 Ų | 126.9 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.6 | -38.1 | 176.9 | -167.7 | 177.2 | 177 | 176.9 | 0 | 112.1 | R143 S145 M151 | R143-R147 PolarHBondContact O-N 3.43Å; S145-R147 PolarHBondContact O-N 3.43Å; R147-M151 HydrophobicContact CG-CE 4.28Å; R147-M151 WeakPolarHBondContact O-CG 3.48Å; R147-M151 PolarHBondContact O-N 3.41Å |
| 148 | K | 74.2 | Confident | 71.6 | Confident | 150 Ų | 150 | 127 Ų | 127 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.3 | -42.8 | 175.4 | -79.7 | -175.1 | 173.8 | -167.5 | 0 | 112.1 | K144 S145 M151 F152 | K144-K148 WeakPolarHBondContact O-CB 3.4Å; K144-K148 WeakPolarHBondContact O-CG 3.15Å; K144-K148 PolarHBondContact O-N 3Å; S145-K148 PolarHBondContact O-N 2.88Å; K148-M151 HydrophobicContact CG-CE 4.36Å; K148-M151 PolarHBondContact O-N 2.74Å; K148-F152 WeakPolarHBondContact O-CB 3.41Å; K148-F152 PolarHBondContact O-N 3.11Å |
| 149 | Q | 74.1 | Confident | 73.1 | Confident | 128 Ų | 128 | 127.5 Ų | 127.5 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -43.4 | 174.9 | -78 | 175.9 | -20.4 | 0 | 0 | 111.5 | S145 A146 M151 F152 Q153 | S145-Q149 WeakPolarHBondContact O-CB 3.48Å; S145-Q149 WeakPolarHBondContact O-CG 3.36Å; S145-Q149 PolarHBondContact O-N 3.22Å; A146-Q149 PolarHBondContact O-N 3.01Å; Q149-M151 PolarHBondContact O-N 2.95Å; Q149-F152 PolarHBondContact O-N 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.42Å; Q149-Q153 PolarHBondContact O-N 3.11Å |
| 150 | K | 84.2 | Confident | 74.5 | Confident | 141 Ų | 141 | 128.7 Ų | 128.7 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | 174.5 | -75.2 | -177.2 | 179.4 | -171.9 | 0 | 113.1 | A146 R154 | A146-K150 WeakPolarHBondContact O-CG 3.34Å; A146-K150 PolarHBondContact O-N 3.36Å; K150-R154 WeakPolarHBondContact O-CB 3.34Å; K150-R154 WeakPolarHBondContact O-CG 3.34Å; K150-R154 PolarHBondContact O-N 3.46Å |
| 151 | M | 87.1 | Confident | 75.9 | Confident | 107 Ų | 107 | 129.6 Ų | 129.6 | 53% | 0.527 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -38.3 | 175.1 | -74.4 | -174.2 | -65.7 | 0 | 0 | 112.1 | R147 K148 Q149 R154 A155 | R147-M151 HydrophobicContact CG-CE 4.28Å; R147-M151 WeakPolarHBondContact O-CG 3.48Å; R147-M151 PolarHBondContact O-N 3.41Å; K148-M151 HydrophobicContact CG-CE 4.36Å; K148-M151 PolarHBondContact O-N 2.74Å; Q149-M151 PolarHBondContact O-N 2.95Å; M151-R154 PolarHBondContact O-N 2.94Å; M151-A155 WeakPolarHBondContact O-CB 3.43Å; M151-A155 PolarHBondContact O-N 2.89Å |
| 152 | F | 82.8 | Confident | 77.3 | Confident | 130 Ų | 130 | 129.7 Ų | 129.7 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.9 | -43.4 | 176.5 | -171.3 | -103 | 0 | 0 | 0 | 111.9 | K148 Q149 A155 Q156 | K148-F152 WeakPolarHBondContact O-CB 3.41Å; K148-F152 PolarHBondContact O-N 3.11Å; Q149-F152 PolarHBondContact O-N 3.3Å; F152-A155 PolarHBondContact O-N 2.84Å; F152-Q156 HydrophobicContact CE1-CG 4.26Å; F152-Q156 WeakPolarHBondContact O-CG 3.5Å; F152-Q156 PolarHBondContact O-N 3.43Å |
| 153 | Q | 85.5 | Confident | 78.4 | Confident | 123 Ų | 123 | 124.6 Ų | 124.6 | 58% | 0.575 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.5 | -45.8 | 173.1 | -75.2 | 175.1 | -15.1 | 0 | 0 | 111.6 | Q149 A155 Q156 E157 | Q149-Q153 WeakPolarHBondContact O-CG 3.42Å; Q149-Q153 PolarHBondContact O-N 3.11Å; Q153-A155 VanDerWaalsContact C-N 3.34Å; Q153-A155 PolarHBondContact O-N 3.32Å; Q153-Q156 PolarHBondContact O-N 3.48Å; Q153-E157 PolarHBondContact O-N 3.37Å |
| 154 | R | 88.8 | Confident | 79.7 | Confident | 189 Ų | 189 | 117.7 Ų | 117.7 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 175.6 | -78.9 | -176.5 | 178.7 | -168.4 | -1.5 | 112.9 | K150 M151 E157 L158 | K150-R154 WeakPolarHBondContact O-CB 3.34Å; K150-R154 WeakPolarHBondContact O-CG 3.34Å; K150-R154 PolarHBondContact O-N 3.46Å; M151-R154 PolarHBondContact O-N 2.94Å; R154-E157 PolarHBondContact O-N 3.17Å; R154-L158 WeakPolarHBondContact O-CG 3.25Å; R154-L158 PolarHBondContact O-N 2.87Å |
| 155 | A | 88.1 | Confident | 80.5 | Confident | 58 Ų | 58 | 117.5 Ų | 117.5 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M151 F152 Q153 R159 | M151-A155 WeakPolarHBondContact O-CB 3.43Å; M151-A155 PolarHBondContact O-N 2.89Å; F152-A155 PolarHBondContact O-N 2.84Å; Q153-A155 VanDerWaalsContact C-N 3.34Å; Q153-A155 PolarHBondContact O-N 3.32Å; A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.37Å |
| 156 | Q | 88.6 | Confident | 80.8 | Confident | 90 Ų | 90 | 120.5 Ų | 120.5 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 174 | -75.4 | -173.6 | -23.7 | 0 | 0 | 112.3 | F152 Q153 R159 R160 | F152-Q156 HydrophobicContact CE1-CG 4.26Å; F152-Q156 WeakPolarHBondContact O-CG 3.5Å; F152-Q156 PolarHBondContact O-N 3.43Å; Q153-Q156 PolarHBondContact O-N 3.48Å; Q156-R159 WeakPolarHBondContact O-CB 3.41Å; Q156-R159 PolarHBondContact O-N 3.4Å; Q156-R160 WeakPolarHBondContact O-CG 3.46Å; Q156-R160 PolarHBondContact O-N 2.84Å |
| 157 | E | 89.3 | Confident | 80.8 | Confident | 99 Ų | 99 | 122.9 Ų | 122.9 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.3 | -40.4 | 178 | -169.2 | 167 | 163 | 0 | 0 | 112.5 | Q153 R154 R159 R160 R161 | Q153-E157 PolarHBondContact O-N 3.37Å; R154-E157 PolarHBondContact O-N 3.17Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.22Å; E157-R160 PolarHBondContact O-N 3.17Å; E157-R161 WeakPolarHBondContact O-CG 3.24Å; E157-R161 PolarHBondContact O-N 2.99Å; E157-R161 IonicContact OE1-CZ 3.7Å; E157-R161 IonicContact OE1-NE 3.42Å; E157-R161 IonicContact OE1-NH2 3.14Å; E157-R161 PolarHBondContact OE1-NH2 2.95Å |
| 158 | L | 89 | Confident | 80.6 | Confident | 115 Ų | 115 | 119.5 Ų | 119.5 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60 | -39.6 | 171.7 | -74.8 | 171.9 | 0 | 0 | 0 | 111.9 | R154 R161 A162 | R154-L158 WeakPolarHBondContact O-CG 3.25Å; R154-L158 PolarHBondContact O-N 2.87Å; L158-R161 PolarHBondContact O-N 2.81Å; L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.21Å |
| 159 | R | 83.9 | Confident | 80.4 | Confident | 170 Ų | 170 | 119 Ų | 119 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -45.3 | 175.2 | -176.6 | 177.8 | 173.4 | 166.2 | 3.6 | 111.9 | A155 Q156 E157 R161 A162 E163 | A155-R159 WeakPolarHBondContact O-CB 3.29Å; A155-R159 PolarHBondContact O-N 3.37Å; Q156-R159 WeakPolarHBondContact O-CB 3.41Å; Q156-R159 PolarHBondContact O-N 3.4Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.22Å; R159-R161 PolarHBondContact O-N 3.29Å; R159-A162 PolarHBondContact O-N 3.44Å; R159-E163 WeakPolarHBondContact CG-OE1 3.49Å; R159-E163 IonicContact CZ-OE1 3.68Å; R159-E163 IonicContact NE-OE1 2.92Å; R159-E163 PolarHBondContact NE-OE1 3.4Å; R159-E163 IonicContact NH2-OE1 2.76Å; R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 2.78Å |
| 160 | R | 84.3 | Confident | 80 | Confident | 169 Ų | 169 | 114.3 Ų | 114.3 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 175.6 | -72.7 | -179.7 | -179.4 | 179.5 | -0.2 | 111.7 | Q156 E157 A162 E163 D164 | Q156-R160 WeakPolarHBondContact O-CG 3.46Å; Q156-R160 PolarHBondContact O-N 2.84Å; E157-R160 PolarHBondContact O-N 3.17Å; R160-A162 VanDerWaalsContact C-N 3.34Å; R160-A162 PolarHBondContact O-N 2.98Å; R160-E163 PolarHBondContact O-N 3.33Å; R160-D164 WeakPolarHBondContact O-CB 3.34Å; R160-D164 VanDerWaalsContact O-CG 3.27Å; R160-D164 PolarHBondContact O-N 3.18Å |
| 161 | R | 83.2 | Confident | 79.3 | Confident | 155 Ų | 155 | 111 Ų | 111 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 176 | -71.2 | -176.9 | -168.5 | 177.6 | 3.8 | 112.9 | E157 L158 R159 D164 Y165 | E157-R161 WeakPolarHBondContact O-CG 3.24Å; E157-R161 PolarHBondContact O-N 2.99Å; E157-R161 IonicContact OE1-CZ 3.7Å; E157-R161 IonicContact OE1-NE 3.42Å; E157-R161 IonicContact OE1-NH2 3.14Å; E157-R161 PolarHBondContact OE1-NH2 2.95Å; L158-R161 PolarHBondContact O-N 2.81Å; R159-R161 PolarHBondContact O-N 3.29Å; R161-D164 PolarHBondContact O-N 3.42Å; R161-Y165 VanDerWaalsContact O-CB 3.26Å; R161-Y165 WeakPolarHBondContact O-CB 3.47Å; R161-Y165 PolarHBondContact O-N 2.99Å |
| 162 | A | 80.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 110.7 Ų | 110.7 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L158 R159 R160 Y165 H166 | L158-A162 WeakPolarHBondContact O-CB 3.47Å; L158-A162 PolarHBondContact O-N 3.21Å; R159-A162 PolarHBondContact O-N 3.44Å; R160-A162 VanDerWaalsContact C-N 3.34Å; R160-A162 PolarHBondContact O-N 2.98Å; A162-Y165 PolarHBondContact O-N 3.41Å; A162-H166 WeakPolarHBondContact O-CB 3.45Å; A162-H166 PolarHBondContact O-N 3.44Å |
| 163 | E | 77.9 | Confident | 77.5 | Confident | 82 Ų | 82 | 108.7 Ų | 108.7 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.9 | -73.1 | 172.8 | -165.7 | 0 | 0 | 111.3 | R159 R160 H166 K167 | R159-E163 WeakPolarHBondContact CG-OE1 3.49Å; R159-E163 IonicContact CZ-OE1 3.68Å; R159-E163 IonicContact NE-OE1 2.92Å; R159-E163 PolarHBondContact NE-OE1 3.4Å; R159-E163 IonicContact NH2-OE1 2.76Å; R159-E163 WeakPolarHBondContact O-CG 3.37Å; R159-E163 PolarHBondContact O-N 2.78Å; R160-E163 PolarHBondContact O-N 3.33Å; E163-H166 PolarHBondContact O-N 3.26Å; E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.37Å; E163-K167 PolarHBondContact O-N 3.36Å |
| 164 | D | 80.6 | Confident | 76.5 | Confident | 75 Ų | 75 | 104.5 Ų | 104.5 | 40% | 0.401 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 178.1 | -67.3 | -23.4 | 0 | 0 | 0 | 112.1 | R160 R161 H166 K167 C168 | R160-D164 WeakPolarHBondContact O-CB 3.34Å; R160-D164 VanDerWaalsContact O-CG 3.27Å; R160-D164 PolarHBondContact O-N 3.18Å; R161-D164 PolarHBondContact O-N 3.42Å; D164-H166 VanDerWaalsContact C-N 3.33Å; D164-H166 PolarHBondContact O-N 3.06Å; D164-K167 WeakPolarHBondContact O-CB 3.45Å; D164-K167 PolarHBondContact O-N 3.08Å; D164-K167 IonicContact OD1-NZ 2.85Å; D164-K167 PolarHBondContact OD1-NZ 2.85Å; D164-C168 PolarHBondContact O-N 3.48Å; D164-C168 PolarHBondContact O-SG 3.48Å |
| 165 | Y | 71.1 | Confident | 75.4 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -42.4 | 170.4 | -176.6 | -98.5 | 0 | 0 | 0 | 112 | R161 A162 K167 C168 K169 | R161-Y165 VanDerWaalsContact O-CB 3.26Å; R161-Y165 WeakPolarHBondContact O-CB 3.47Å; R161-Y165 PolarHBondContact O-N 2.99Å; A162-Y165 PolarHBondContact O-N 3.41Å; Y165-K167 VanDerWaalsContact C-N 3.34Å; Y165-C168 PolarHBondContact O-N 3.25Å; Y165-K169 HydrophobicContact CD1-CD 4.31Å; Y165-K169 HydrophobicContact CE1-CD 3.6Å; Y165-K169 HydrophobicContact CE1-CG 4.36Å; Y165-K169 HydrophobicContact CE2-CD 4.42Å; Y165-K169 WeakPolarHBondContact O-CB 3.47Å; Y165-K169 PolarHBondContact O-N 3.45Å; Y165-K169 WeakPolarHBondContact OH-CE 3.48Å; Y165-K169 PolarHBondContact OH-NZ 3.09Å |
| 166 | H | 67.4 | Low | 74.5 | Confident | 118 Ų | 118 | 104.8 Ų | 104.8 | 55% | 0.546 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 175.3 | -171.1 | 72.6 | 0 | 0 | 0 | 111.9 | A162 E163 D164 I170 | A162-H166 WeakPolarHBondContact O-CB 3.45Å; A162-H166 PolarHBondContact O-N 3.44Å; E163-H166 PolarHBondContact O-N 3.26Å; D164-H166 VanDerWaalsContact C-N 3.33Å; D164-H166 PolarHBondContact O-N 3.06Å; H166-I170 WeakPolarHBondContact CE1-CD1 3.41Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.41Å; H166-I170 PolarHBondContact O-N 2.99Å |
| 167 | K | 66.1 | Low | 73.5 | Confident | 94 Ų | 94 | 103.4 Ų | 103.4 | 41% | 0.409 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 172.2 | -71.3 | 171.6 | -162.1 | 157.9 | 0 | 111.2 | E163 D164 Y165 K169 I170 R175 | E163-K167 VanDerWaalsContact O-CG 3.3Å; E163-K167 WeakPolarHBondContact O-CG 3.37Å; E163-K167 PolarHBondContact O-N 3.36Å; D164-K167 WeakPolarHBondContact O-CB 3.45Å; D164-K167 PolarHBondContact O-N 3.08Å; D164-K167 IonicContact OD1-NZ 2.85Å; D164-K167 PolarHBondContact OD1-NZ 2.85Å; Y165-K167 VanDerWaalsContact C-N 3.34Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 2.91Å; K167-I170 PolarHBondContact O-N 3.22Å; K167-R175 VanDerWaalsContact CB-NH2 3.32Å; K167-R175 PolarHBondContact O-NH2 3.49Å |
| 168 | C | 67 | Low | 72.4 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 78% | 0.777 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.7 | -26.9 | -177.1 | -65.8 | 0 | 0 | 0 | 0 | 113.3 | D164 Y165 | D164-C168 PolarHBondContact O-N 3.48Å; D164-C168 PolarHBondContact O-SG 3.48Å; Y165-C168 PolarHBondContact O-N 3.25Å |
| 169 | K | 68.8 | Low | 71.4 | Confident | 138 Ų | 138 | 101.2 Ų | 101.2 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -84.3 | -23.9 | 177.9 | -83.9 | -161.9 | 164.7 | -173.6 | 0 | 115.3 | Y165 K167 | Y165-K169 HydrophobicContact CD1-CD 4.31Å; Y165-K169 HydrophobicContact CE1-CD 3.6Å; Y165-K169 HydrophobicContact CE1-CG 4.36Å; Y165-K169 HydrophobicContact CE2-CD 4.42Å; Y165-K169 WeakPolarHBondContact O-CB 3.47Å; Y165-K169 PolarHBondContact O-N 3.45Å; Y165-K169 WeakPolarHBondContact OH-CE 3.48Å; Y165-K169 PolarHBondContact OH-NZ 3.09Å; K167-K169 VanDerWaalsContact C-N 3.31Å; K167-K169 PolarHBondContact O-N 2.91Å |
| 170 | I | 65.2 | Low | 70.8 | Confident | 31 Ų | 31 | 97.8 Ų | 97.8 | 16% | 0.159 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -107.1 | 113.4 | -178.3 | -54.3 | -173 | 0 | 0 | 0 | 109.8 | H166 K167 A174 R175 L178 | H166-I170 WeakPolarHBondContact CE1-CD1 3.41Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.41Å; H166-I170 PolarHBondContact O-N 2.99Å; K167-I170 PolarHBondContact O-N 3.22Å; I170-A174 HydrophobicContact CG2-CB 3.73Å; I170-R175 HydrophobicContact CB-CG 4.07Å; I170-R175 HydrophobicContact CG2-CG 3.51Å; I170-R175 PolarHBondContact O-NE 2.91Å; I170-R175 VanDerWaalsContact O-NE 3.11Å; I170-R175 PolarHBondContact O-NH2 3.41Å; I170-L178 HydrophobicContact CD1-CD1 4.48Å |
| 171 | P | 70.8 | Confident | 70.2 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | trans | -59.5 | 146 | 177.5 | 21.5 | -29 | 0 | 0 | 0 | 110.5 | S173 A174 R175 | P171-S173 PolarHBondContact O-N 3.24Å; P171-A174 HydrophobicContact CG-CB 3.91Å; P171-A174 PolarHBondContact O-N 2.96Å; P171-R175 PolarHBondContact O-N 3.05Å | ||
| 172 | P | 66 | Low | 69.6 | Low | 100 Ų | 100 | 94.6 Ų | 94.6 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -53.2 | -32.1 | -175 | -27.5 | 34.3 | 0 | 0 | 0 | 114.4 | R175 K176 | P172-R175 PolarHBondContact O-N 3.42Å; P172-K176 PolarHBondContact O-N 2.87Å |
| 173 | S | 65.1 | Low | 69.1 | Low | 88 Ų | 88 | 101 Ų | 101 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 113 | P171 R175 K176 A177 | P171-S173 PolarHBondContact O-N 3.24Å; S173-R175 VanDerWaalsContact C-N 3.3Å; S173-R175 PolarHBondContact O-N 3.3Å; S173-K176 PolarHBondContact O-N 3.22Å; S173-A177 PolarHBondContact O-N 3.05Å |
| 174 | A | 64.9 | Low | 68.5 | Low | 36 Ų | 36 | 103 Ų | 103 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -27.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I170 P171 A177 L178 | I170-A174 HydrophobicContact CG2-CB 3.73Å; P171-A174 HydrophobicContact CG-CB 3.91Å; P171-A174 PolarHBondContact O-N 2.96Å; A174-A177 PolarHBondContact O-N 2.96Å; A174-L178 WeakPolarHBondContact O-CB 3.47Å; A174-L178 PolarHBondContact O-N 3.37Å |
| 175 | R | 66.8 | Low | 67.6 | Low | 92 Ų | 92 | 101 Ų | 101 | 35% | 0.347 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 173.5 | -59.9 | -170 | -159.2 | 160.9 | 12.8 | 112.5 | K167 I170 P171 P172 S173 L178 C179 | K167-R175 VanDerWaalsContact CB-NH2 3.32Å; K167-R175 PolarHBondContact O-NH2 3.49Å; I170-R175 HydrophobicContact CB-CG 4.07Å; I170-R175 HydrophobicContact CG2-CG 3.51Å; I170-R175 PolarHBondContact O-NE 2.91Å; I170-R175 VanDerWaalsContact O-NE 3.11Å; I170-R175 PolarHBondContact O-NH2 3.41Å; P171-R175 PolarHBondContact O-N 3.05Å; P172-R175 PolarHBondContact O-N 3.42Å; S173-R175 VanDerWaalsContact C-N 3.3Å; S173-R175 PolarHBondContact O-N 3.3Å; R175-L178 PolarHBondContact O-N 3.46Å; R175-C179 WeakPolarHBondContact O-CB 3.15Å; R175-C179 PolarHBondContact O-N 3.33Å; R175-C179 PolarHBondContact O-SG 3.01Å; R175-C179 VanDerWaalsContact O-SG 3.39Å |
| 176 | K | 68 | Low | 67.1 | Low | 161 Ų | 161 | 96.3 Ų | 96.3 | 70% | 0.7 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 175 | -82.7 | -174.1 | 177.6 | -179.4 | 0 | 111.3 | P172 S173 C179 N180 | P172-K176 PolarHBondContact O-N 2.87Å; S173-K176 PolarHBondContact O-N 3.22Å; K176-C179 PolarHBondContact O-N 3.39Å; K176-N180 WeakPolarHBondContact O-CB 3.44Å; K176-N180 VanDerWaalsContact O-CG 3.26Å; K176-N180 PolarHBondContact O-N 3.41Å |
| 177 | A | 67.6 | Low | 66.7 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S173 A174 N180 W181 | S173-A177 PolarHBondContact O-N 3.05Å; A174-A177 PolarHBondContact O-N 2.96Å; A177-N180 PolarHBondContact O-N 3.44Å; A177-W181 WeakPolarHBondContact O-CB 3.45Å; A177-W181 PolarHBondContact O-N 2.87Å |
| 178 | L | 66.9 | Low | 66.2 | Low | 88 Ų | 88 | 94.6 Ų | 94.6 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 176 | -111.6 | 141.5 | 0 | 0 | 0 | 112.6 | I170 A174 R175 N180 W181 V182 | I170-L178 HydrophobicContact CD1-CD1 4.48Å; A174-L178 WeakPolarHBondContact O-CB 3.47Å; A174-L178 PolarHBondContact O-N 3.37Å; R175-L178 PolarHBondContact O-N 3.46Å; L178-N180 VanDerWaalsContact C-N 3.33Å; L178-N180 PolarHBondContact O-N 2.91Å; L178-W181 PolarHBondContact O-N 3.47Å; L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.29Å; L178-V182 WeakPolarHBondContact O-CG2 3.42Å; L178-V182 PolarHBondContact O-N 2.93Å |
| 179 | C | 66.4 | Low | 65.5 | Low | 81 Ų | 81 | 96.4 Ų | 96.4 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 176.6 | -75.9 | 0 | 0 | 0 | 0 | 112.3 | R175 K176 R183 | R175-C179 WeakPolarHBondContact O-CB 3.15Å; R175-C179 PolarHBondContact O-N 3.33Å; R175-C179 PolarHBondContact O-SG 3.01Å; R175-C179 VanDerWaalsContact O-SG 3.39Å; K176-C179 PolarHBondContact O-N 3.39Å; C179-R183 WeakPolarHBondContact O-CB 3.48Å; C179-R183 WeakPolarHBondContact O-CG 3.36Å; C179-R183 PolarHBondContact O-N 3.41Å |
| 180 | N | 71.9 | Confident | 64.6 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 175.3 | -75.7 | -8.7 | 0 | 0 | 0 | 111.4 | K176 A177 L178 R183 M184 | K176-N180 WeakPolarHBondContact O-CB 3.44Å; K176-N180 VanDerWaalsContact O-CG 3.26Å; K176-N180 PolarHBondContact O-N 3.41Å; A177-N180 PolarHBondContact O-N 3.44Å; L178-N180 VanDerWaalsContact C-N 3.33Å; L178-N180 PolarHBondContact O-N 2.91Å; N180-R183 PolarHBondContact O-N 2.96Å; N180-M184 VanDerWaalsContact O-CG 3.25Å; N180-M184 WeakPolarHBondContact O-CG 3.44Å; N180-M184 PolarHBondContact O-N 3.36Å |
| 181 | W | 71.5 | Confident | 63.9 | Low | 176 Ų | 176 | 105.5 Ų | 105.5 | 67% | 0.667 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 175.6 | -177.1 | 73 | 0 | 0 | 0 | 112.2 | A177 L178 R183 M184 A185 | A177-W181 WeakPolarHBondContact O-CB 3.45Å; A177-W181 PolarHBondContact O-N 2.87Å; L178-W181 PolarHBondContact O-N 3.47Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.76Å; W181-M184 PolarHBondContact O-N 2.94Å; W181-A185 WeakPolarHBondContact O-CB 3.26Å; W181-A185 PolarHBondContact O-N 3.4Å |
| 182 | V | 71.5 | Confident | 63 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -38.1 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L178 A186 | L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.29Å; L178-V182 WeakPolarHBondContact O-CG2 3.42Å; L178-V182 PolarHBondContact O-N 2.93Å; V182-A186 VanDerWaalsContact O-CB 3.24Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.25Å |
| 183 | R | 69.1 | Low | 62.4 | Low | 194 Ų | 194 | 105.8 Ų | 105.8 | 73% | 0.732 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 173.6 | -89.3 | -178.3 | 147.1 | 177.3 | -6.5 | 112.6 | C179 N180 W181 A187 | C179-R183 WeakPolarHBondContact O-CB 3.48Å; C179-R183 WeakPolarHBondContact O-CG 3.36Å; C179-R183 PolarHBondContact O-N 3.41Å; N180-R183 PolarHBondContact O-N 2.96Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.76Å; R183-A187 WeakPolarHBondContact O-CB 3.05Å; R183-A187 PolarHBondContact O-N 2.97Å |
| 184 | M | 65.5 | Low | 61.9 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 62% | 0.616 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -47.4 | 176.6 | -68.7 | -129.4 | -45.4 | 0 | 0 | 111.4 | N180 W181 A186 A187 E188 | N180-M184 VanDerWaalsContact O-CG 3.25Å; N180-M184 WeakPolarHBondContact O-CG 3.44Å; N180-M184 PolarHBondContact O-N 3.36Å; W181-M184 PolarHBondContact O-N 2.94Å; M184-A186 VanDerWaalsContact C-N 3.26Å; M184-A186 PolarHBondContact O-N 2.92Å; M184-A187 CarbonylContact O-C 3.49Å; M184-A187 WeakPolarHBondContact O-CA 3.38Å; M184-A187 WeakPolarHBondContact O-CB 3.45Å; M184-A187 PolarHBondContact O-N 3.47Å; M184-E188 WeakPolarHBondContact O-CB 3.49Å; M184-E188 PolarHBondContact O-N 3.36Å |
| 185 | A | 62.5 | Low | 61.2 | Low | 31 Ų | 31 | 110.3 Ų | 110.3 | 26% | 0.256 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.6 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | W181 H189 | W181-A185 WeakPolarHBondContact O-CB 3.26Å; W181-A185 PolarHBondContact O-N 3.4Å; A185-H189 WeakPolarHBondContact O-CB 3.46Å; A185-H189 PolarHBondContact O-N 2.87Å |
| 186 | A | 60 | Low | 60.1 | Low | 44 Ų | 44 | 111 Ų | 111 | 36% | 0.364 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.6 | -32.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V182 M184 R190 | V182-A186 VanDerWaalsContact O-CB 3.24Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.25Å; M184-A186 VanDerWaalsContact C-N 3.26Å; M184-A186 PolarHBondContact O-N 2.92Å; A186-R190 WeakPolarHBondContact O-CD 3.44Å; A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 3.26Å |
| 187 | A | 60.2 | Low | 58.9 | Low | 36 Ų | 36 | 112.6 Ų | 112.6 | 30% | 0.298 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.9 | -36.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R183 M184 R190 H191 | R183-A187 WeakPolarHBondContact O-CB 3.05Å; R183-A187 PolarHBondContact O-N 2.97Å; M184-A187 CarbonylContact O-C 3.49Å; M184-A187 WeakPolarHBondContact O-CA 3.38Å; M184-A187 WeakPolarHBondContact O-CB 3.45Å; M184-A187 PolarHBondContact O-N 3.47Å; A187-R190 WeakPolarHBondContact O-CA 3.3Å; A187-R190 VanDerWaalsContact O-CB 3.28Å; A187-R190 WeakPolarHBondContact O-CB 3.34Å; A187-R190 PolarHBondContact O-N 2.93Å; A187-R190 VanDerWaalsContact O-N 3.07Å; A187-H191 PolarHBondContact O-CD2 3.26Å; A187-H191 PolarHBondContact O-N 3.42Å |
| 188 | E | 55.5 | Low | 57.7 | Low | 141 Ų | 141 | 120.7 Ų | 120.7 | 66% | 0.659 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.5 | -41.3 | 178.2 | -161.9 | 167.4 | -169.8 | 0 | 0 | 110.9 | M184 R190 H191 S192 | M184-E188 WeakPolarHBondContact O-CB 3.49Å; M184-E188 PolarHBondContact O-N 3.36Å; E188-R190 PolarHBondContact O-N 3.49Å; E188-H191 PolarHBondContact O-N 2.85Å; E188-S192 PolarHBondContact O-N 3.45Å |
| 189 | H | 51.4 | Low | 56.7 | Low | 153 Ų | 153 | 119.7 Ų | 119.7 | 71% | 0.708 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -24.3 | 167.7 | -105.2 | -75.3 | 0 | 0 | 0 | 113.8 | A185 S193 | A185-H189 WeakPolarHBondContact O-CB 3.46Å; A185-H189 PolarHBondContact O-N 2.87Å; H189-S193 PolarHBondContact O-OG 2.98Å |
| 190 | R | 49.6 | Very low | 55.7 | Low | 189 Ų | 189 | 126.6 Ų | 126.6 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.6 | -28.7 | 177 | -76.6 | 167.4 | -172.5 | -176.3 | -1.8 | 113.2 | A186 A187 E188 | A186-R190 WeakPolarHBondContact O-CD 3.44Å; A186-R190 WeakPolarHBondContact O-CG 3.45Å; A186-R190 PolarHBondContact O-N 3.26Å; A187-R190 WeakPolarHBondContact O-CA 3.3Å; A187-R190 VanDerWaalsContact O-CB 3.28Å; A187-R190 WeakPolarHBondContact O-CB 3.34Å; A187-R190 PolarHBondContact O-N 2.93Å; A187-R190 VanDerWaalsContact O-N 3.07Å; E188-R190 PolarHBondContact O-N 3.49Å |
| 191 | H | 50.3 | Low | 54.6 | Low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.787 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -81.9 | -24.8 | 178.3 | -69.1 | -63.8 | 0 | 0 | 0 | 113.1 | A187 E188 | A187-H191 PolarHBondContact O-CD2 3.26Å; A187-H191 PolarHBondContact O-N 3.42Å; E188-H191 PolarHBondContact O-N 2.85Å |
| 192 | S | 52.2 | Low | 53.9 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 78% | 0.783 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -87.9 | -9.6 | 179.6 | -166.8 | 0 | 0 | 0 | 0 | 114.8 | E188 | E188-S192 PolarHBondContact O-N 3.45Š|
| 193 | S | 54.1 | Low | 52.9 | Low | 65 Ų | 65 | 121.8 Ų | 121.8 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -99.6 | -8.6 | -172.1 | 46.6 | 0 | 0 | 0 | 0 | 115.5 | H189 L195 | H189-S193 PolarHBondContact O-OG 2.98Å; S193-L195 PolarHBondContact O-N 3.48Å |
| 194 | G | 53.6 | Low | 52.1 | Low | 77 Ų | 77 | 118.9 Ų | 118.9 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | trans | 57.2 | 12.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 195 | L | 49.9 | Very low | 51.4 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | trans | -90.8 | 134.3 | -174.6 | -80.7 | 164.9 | 0 | 0 | 0 | 111.2 | S193 Y197 | S193-L195 PolarHBondContact O-N 3.48Å; L195-Y197 PolarHBondContact O-N 3.32Å | ||
| 196 | P | 44.4 | Very low | 51.1 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | trans | -65 | 134.9 | 179.5 | 24.6 | -30.9 | 0 | 0 | 0 | 111.2 | W198 | P196-W198 PolarHBondContact O-N 3.23Š| ||
| 197 | Y | 41.9 | Very low | 50.9 | Low | 195 Ų | 195 | 123.6 Ų | 123.6 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | trans | -57.4 | 111.3 | -179.7 | 172.9 | -107.9 | 0 | 0 | 0 | 111.8 | L195 P199 | L195-Y197 PolarHBondContact O-N 3.32Å; Y197-P199 HydrophobicContact CD1-CG 4.13Å; Y197-P199 HydrophobicContact CE1-CB 3.76Å; Y197-P199 HydrophobicContact CE1-CG 3.52Å; Y197-P199 HydrophobicContact CE2-CB 4.4Å; Y197-P199 WeakPolarHBondContact OH-CB 3.49Å | ||
| 198 | W | 43.3 | Very low | 50.7 | Low | 230 Ų | 230 | 127 Ų | 127 | 87% | 0.871 | 65% | 0.649 | S | S | * | * | trans | -97.7 | 111 | 156.3 | -85.2 | 88 | 0 | 0 | 0 | 107.9 | P196 Y200 | P196-W198 PolarHBondContact O-N 3.23Å; W198-Y200 PolarHBondContact O-N 2.92Å; W198-Y200 VanDerWaalsContact O-N 3.15Å | ||
| 199 | P | 46.8 | Very low | 50.7 | Low | 67 Ų | 67 | 129.4 Ų | 129.4 | 44% | 0.435 | 65% | 0.652 | S | S | . | * | trans | -58.3 | 125 | 173.7 | 3.4 | 0.4 | 0 | 0 | 0 | 107.9 | Y197 L201 | Y197-P199 HydrophobicContact CD1-CG 4.13Å; Y197-P199 HydrophobicContact CE1-CB 3.76Å; Y197-P199 HydrophobicContact CE1-CG 3.52Å; Y197-P199 HydrophobicContact CE2-CB 4.4Å; Y197-P199 WeakPolarHBondContact OH-CB 3.49Å; P199-L201 PolarHBondContact O-N 3.32Å | ||
| 200 | Y | 45 | Very low | 50.8 | Low | 226 Ų | 226 | 129.7 Ų | 129.7 | 89% | 0.886 | 66% | 0.655 | S | S | * | * | trans | -52.4 | 107.8 | 164.2 | -143.6 | -95 | 0 | 0 | 0 | 106.1 | W198 T202 | W198-Y200 PolarHBondContact O-N 2.92Å; W198-Y200 VanDerWaalsContact O-N 3.15Å; Y200-T202 PolarHBondContact O-N 3.44Å | ||
| 201 | L | 48.1 | Very low | 51 | Low | 86 Ų | 86 | 123.7 Ų | 123.7 | 45% | 0.45 | 65% | 0.653 | S | S | . | * | trans | -55.2 | 105.7 | 172.7 | -84.7 | 158.4 | 0 | 0 | 0 | 106.3 | P199 T205 | P199-L201 PolarHBondContact O-N 3.32Å; L201-T205 HydrophobicContact CD2-CG2 3.45Å; L201-T205 VanDerWaalsContact CD2-CG2 3.45Å | ||
| 202 | T | 56.3 | Low | 51.3 | Low | 86 Ų | 86 | 123 Ų | 123 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | trans | -54.4 | 144.3 | 176.1 | -28.3 | 0 | 0 | 0 | 0 | 107.3 | Y200 E204 T205 L206 | Y200-T202 PolarHBondContact O-N 3.44Å; T202-E204 PolarHBondContact O-N 2.76Å; T202-T205 PolarHBondContact O-N 2.93Å; T202-T205 PolarHBondContact O-OG1 3.49Å; T202-L206 PolarHBondContact O-N 3.3Å | ||
| 203 | A | 51.4 | Low | 51.5 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.3 | -27.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L206 K207 | A203-L206 PolarHBondContact O-N 3.48Å; A203-K207 WeakPolarHBondContact O-CB 3.47Å; A203-K207 PolarHBondContact O-N 3.41Å |
| 204 | E | 52 | Low | 51.7 | Low | 134 Ų | 134 | 128.6 Ų | 128.6 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -53.3 | -48.7 | 168.1 | -134.8 | 93.2 | -142.1 | 0 | 0 | 113.4 | T202 K207 N208 | T202-E204 PolarHBondContact O-N 2.76Å; E204-K207 PolarHBondContact O-N 3.22Å; E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 VanDerWaalsContact O-N 3.08Å; E204-N208 PolarHBondContact O-ND2 3.01Å |
| 205 | T | 51.5 | Low | 52 | Low | 58 Ų | 58 | 130.5 Ų | 130.5 | 36% | 0.356 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.4 | -32.3 | -176.8 | -32.8 | 0 | 0 | 0 | 0 | 111.7 | L201 T202 R209 | L201-T205 HydrophobicContact CD2-CG2 3.45Å; L201-T205 VanDerWaalsContact CD2-CG2 3.45Å; T202-T205 PolarHBondContact O-N 2.93Å; T202-T205 PolarHBondContact O-OG1 3.49Å; T205-R209 PolarHBondContact O-N 3.35Å |
| 206 | L | 54.9 | Low | 52.4 | Low | 85 Ų | 85 | 129 Ų | 129 | 45% | 0.445 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.7 | -36.7 | 175.3 | -133.2 | 155.5 | 0 | 0 | 0 | 111.1 | T202 A203 R209 M210 | T202-L206 PolarHBondContact O-N 3.3Å; A203-L206 PolarHBondContact O-N 3.48Å; L206-R209 PolarHBondContact O-N 3.28Å; L206-M210 HydrophobicContact CD2-CE 3.59Å; L206-M210 HydrophobicContact CD2-SD 4.29Å; L206-M210 PolarHBondContact O-N 2.85Å |
| 207 | K | 55.4 | Low | 52.5 | Low | 155 Ų | 155 | 129.9 Ų | 129.9 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.6 | -40.3 | 175 | -169.1 | -177.9 | 167.9 | -168.2 | 0 | 112.4 | A203 E204 R209 M210 G211 | A203-K207 WeakPolarHBondContact O-CB 3.47Å; A203-K207 PolarHBondContact O-N 3.41Å; E204-K207 PolarHBondContact O-N 3.22Å; K207-R209 VanDerWaalsContact C-N 3.3Å; K207-R209 PolarHBondContact O-N 2.62Å; K207-M210 PolarHBondContact O-N 2.92Å; K207-G211 PolarHBondContact O-N 3.11Å |
| 208 | N | 57.1 | Low | 53.1 | Low | 109 Ų | 109 | 127 Ų | 127 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.6 | -26 | 177.4 | -67.1 | -16.1 | 0 | 0 | 0 | 113.2 | E204 H212 | E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 VanDerWaalsContact O-N 3.08Å; E204-N208 PolarHBondContact O-ND2 3.01Å; N208-H212 PolarHBondContact O-ND1 3.38Å |
| 209 | R | 55.8 | Low | 53.2 | Low | 191 Ų | 191 | 124.4 Ų | 124.4 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.3 | -28.5 | 174 | -80 | -171.2 | 175.5 | -172.9 | -0.6 | 114.1 | T205 L206 K207 G211 | T205-R209 PolarHBondContact O-N 3.35Å; L206-R209 PolarHBondContact O-N 3.28Å; K207-R209 VanDerWaalsContact C-N 3.3Å; K207-R209 PolarHBondContact O-N 2.62Å; R209-G211 VanDerWaalsContact C-N 3.31Å |
| 210 | M | 53.7 | Low | 53.3 | Low | 158 Ų | 158 | 130.3 Ų | 130.3 | 78% | 0.778 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.5 | -14.4 | 176.2 | -82.6 | 175.1 | -176.3 | 0 | 0 | 113.9 | L206 K207 | L206-M210 HydrophobicContact CD2-CE 3.59Å; L206-M210 HydrophobicContact CD2-SD 4.29Å; L206-M210 PolarHBondContact O-N 2.85Å; K207-M210 PolarHBondContact O-N 2.92Å |
| 211 | G | 53.2 | Low | 53 | Low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.7 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | K207 R209 | K207-G211 PolarHBondContact O-N 3.11Å; R209-G211 VanDerWaalsContact C-N 3.31Å |
| 212 | H | 56.7 | Low | 53.1 | Low | 156 Ų | 156 | 132.9 Ų | 132.9 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -102.5 | 117.9 | 179 | -75 | 79 | 0 | 0 | 0 | 109.9 | N208 | N208-H212 PolarHBondContact O-ND1 3.38Š|
| 213 | Q | 56.8 | Low | 53 | Low | 184 Ų | 184 | 135.3 Ų | 135.3 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 141.1 | 165.4 | -88.5 | -165.8 | -5.7 | 0 | 0 | 109.5 | ||
| 214 | P | 57.2 | Low | 53 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63 | 141.9 | 169.9 | 26.7 | -31.4 | 0 | 0 | 0 | 109.5 | ||
| 215 | P | 60.1 | Low | 53.1 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 144.8 | 175.8 | 25.7 | -32.5 | 0 | 0 | 0 | 110 | ||
| 216 | P | 58.3 | Low | 53.2 | Low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 145.8 | -178.4 | 25.1 | -32.6 | 0 | 0 | 0 | 110.8 | T218 | P216-T218 PolarHBondContact O-N 3.27Š|
| 217 | P | 46.9 | Very low | 53.1 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.3 | -177 | 25.5 | -32.5 | 0 | 0 | 0 | 110 | Q219 | P217-Q219 PolarHBondContact O-N 3.04Š|
| 218 | T | 53.9 | Low | 52.9 | Low | 134 Ų | 134 | 146.1 Ų | 146.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120 | 172 | -25.1 | 0 | 0 | 0 | 0 | 107.9 | P216 Q220 | P216-T218 PolarHBondContact O-N 3.27Å; T218-Q220 PolarHBondContact O-N 2.96Å |
| 219 | Q | 46.6 | Very low | 52.6 | Low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.4 | 172.3 | -68.2 | -150.4 | 38.1 | 0 | 0 | 108.7 | P217 H221 | P217-Q219 PolarHBondContact O-N 3.04Å; Q219-H221 PolarHBondContact O-N 3.4Å |
| 220 | Q | 48.7 | Very low | 52.4 | Low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 115.3 | 162 | -71 | -156.4 | -20.7 | 0 | 0 | 107.5 | T218 | T218-Q220 PolarHBondContact O-N 2.96Š| ||
| 221 | H | 39.6 | Very low | 52.3 | Low | 180 Ų | 180 | 144.4 Ų | 144.4 | 83% | 0.833 | 83% | 0.826 | S | S | * | * | trans | -80.8 | 130.4 | 169.4 | -134.5 | -102.6 | 0 | 0 | 0 | 107.8 | Q219 | Q219-H221 PolarHBondContact O-N 3.4Š| ||
| 222 | S | 49.8 | Very low | 52.2 | Low | 187 Ų | 187 | 151.7 Ų | 151.7 | 100% | 1.308 | 84% | 0.841 | S | S | * | * | trans | -60.6 | 0 | 171.4 | -62.9 | 0 | 0 | 0 | 0 | 112.7 |
Retrieved 222 of 222 residues in 75.6 ms
(Link to these results)