| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 27.4 | Very low | 25 | Very low | 241 Ų | 241 | 125.7 Ų | 125.7 | 100% | 1.187 | 64% | 0.637 | S | S | * | * | 0 | 100.5 | 0 | -144 | -177.7 | -165.4 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact O-N 3.46Š| |||
| 2 | V | 20.9 | Very low | 25.7 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 85% | 0.848 | 61% | 0.608 | S | S | * | * | trans | -74.3 | 108.7 | -174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | S4 | V2-S4 PolarHBondContact O-N 2.89Å; V2-S4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | R | 23.3 | Very low | 25.7 | Very low | 244 Ų | 244 | 122.7 Ų | 122.7 | 92% | 0.921 | 62% | 0.621 | S | S | * | * | trans | -76 | 93.4 | 172.6 | -81 | -178.9 | 171.5 | 165.1 | -0.7 | 108.7 | M1 R5 | M1-R3 PolarHBondContact O-N 3.46Å; R3-R5 PolarHBondContact O-N 3.42Å; R3-R5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | S | 22.5 | Very low | 26 | Very low | 83 Ų | 83 | 121 Ų | 121 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | trans | -69.4 | 105.9 | 168.6 | -48.1 | 0 | 0 | 0 | 0 | 108.9 | V2 I6 | V2-S4 PolarHBondContact O-N 2.89Å; V2-S4 VanDerWaalsContact O-N 3.14Å; S4-I6 PolarHBondContact O-N 2.87Å | ||
| 5 | R | 24.4 | Very low | 26.2 | Very low | 183 Ų | 183 | 116.5 Ų | 116.5 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | trans | -79 | 104.2 | 173.2 | -157.7 | 178.4 | -171.2 | -178.6 | 0.7 | 107.1 | R3 T7 | R3-R5 PolarHBondContact O-N 3.42Å; R3-R5 VanDerWaalsContact O-N 3.14Å; R5-T7 PolarHBondContact O-N 2.78Å | ||
| 6 | I | 24.8 | Very low | 26.5 | Very low | 53 Ų | 53 | 115.7 Ų | 115.7 | 27% | 0.272 | 62% | 0.615 | S | S | . | * | trans | -89 | 102.5 | 169.3 | -59.3 | 174.2 | 0 | 0 | 0 | 105.8 | S4 V8 | S4-I6 PolarHBondContact O-N 2.87Å; I6-V8 HydrophobicContact CG2-CG2 3.93Å; I6-V8 PolarHBondContact O-N 2.74Å | ||
| 7 | T | 25.1 | Very low | 27.2 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | trans | -80.8 | 102.5 | 165 | -44.9 | 0 | 0 | 0 | 0 | 105.8 | R5 T9 | R5-T7 PolarHBondContact O-N 2.78Å; T7-T9 VanDerWaalsContact C-N 3.33Å; T7-T9 PolarHBondContact O-N 3.03Å; T7-T9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | V | 26.3 | Very low | 28.1 | Very low | 40 Ų | 40 | 109.1 Ų | 109.1 | 24% | 0.242 | 58% | 0.58 | C | S | . | * | trans | -76.7 | 96.4 | 165.2 | -173.8 | 0 | 0 | 0 | 0 | 105.5 | I6 L10 P147 | I6-V8 HydrophobicContact CG2-CG2 3.93Å; I6-V8 PolarHBondContact O-N 2.74Å; V8-L10 HydrophobicContact CG1-CD1 4.03Å; V8-L10 HydrophobicContact CG1-CG 3.89Å; V8-L10 PolarHBondContact O-N 3.09Å; V8-P147 HydrophobicContact CG1-CB 4.02Å; V8-P147 HydrophobicContact CG2-CB 3.88Å; V8-P147 HydrophobicContact CG2-CG 4.42Å | ||
| 9 | T | 25 | Very low | 29 | Very low | 101 Ų | 101 | 105.1 Ų | 105.1 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | trans | -65.2 | 80.8 | 154.2 | 15.1 | 0 | 0 | 0 | 0 | 106.4 | T7 | T7-T9 VanDerWaalsContact C-N 3.33Å; T7-T9 PolarHBondContact O-N 3.03Å; T7-T9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | L | 29 | Very low | 29.6 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 40% | 0.398 | 56% | 0.563 | S | S | . | * | trans | -59.8 | 145.4 | 139.9 | -64.4 | 131.7 | 0 | 0 | 0 | 103.8 | V8 F12 | V8-L10 HydrophobicContact CG1-CD1 4.03Å; V8-L10 HydrophobicContact CG1-CG 3.89Å; V8-L10 PolarHBondContact O-N 3.09Å; L10-F12 HydrophobicContact CB-CD1 4.26Å; L10-F12 HydrophobicContact CB-CD2 3.45Å; L10-F12 VanDerWaalsContact CB-CD2 3.45Å; L10-F12 HydrophobicContact CB-CE1 4.25Å; L10-F12 HydrophobicContact CB-CE2 3.46Å; L10-F12 VanDerWaalsContact CB-CE2 3.46Å; L10-F12 HydrophobicContact CB-CG 3.85Å; L10-F12 HydrophobicContact CB-CZ 3.85Å; L10-F12 HydrophobicContact CD1-CD2 3.89Å; L10-F12 HydrophobicContact CD1-CE2 3.08Å; L10-F12 HydrophobicContact CD1-CZ 3.56Å; L10-F12 HydrophobicContact CG-CD2 4.25Å; L10-F12 HydrophobicContact CG-CE2 3.82Å; L10-F12 HydrophobicContact CG-CZ 4.2Å; L10-F12 WeakPolarHBondContact O-CA 3.44Å; L10-F12 WeakPolarHBondContact O-CB 3.49Å; L10-F12 WeakPolarHBondContact O-CG 3.44Å; L10-F12 PolarHBondContact O-N 3.49Å | ||
| 11 | D | 26.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 102.2 Ų | 102.2 | 77% | 0.77 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -54.9 | 86.2 | 172.2 | -86.6 | -33.6 | 0 | 0 | 0 | 109.7 | K141 | D11-K141 PolarHBondContact O-NZ 3.48Š|
| 12 | F | 33.3 | Very low | 31.3 | Very low | 66 Ų | 66 | 90.9 Ų | 90.9 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | trans | -131.7 | 20.4 | -171.1 | -78.4 | -34.3 | 0 | 0 | 0 | 107.7 | L10 S14 A15 M133 | L10-F12 HydrophobicContact CB-CD1 4.26Å; L10-F12 HydrophobicContact CB-CD2 3.45Å; L10-F12 VanDerWaalsContact CB-CD2 3.45Å; L10-F12 HydrophobicContact CB-CE1 4.25Å; L10-F12 HydrophobicContact CB-CE2 3.46Å; L10-F12 VanDerWaalsContact CB-CE2 3.46Å; L10-F12 HydrophobicContact CB-CG 3.85Å; L10-F12 HydrophobicContact CB-CZ 3.85Å; L10-F12 HydrophobicContact CD1-CD2 3.89Å; L10-F12 HydrophobicContact CD1-CE2 3.08Å; L10-F12 HydrophobicContact CD1-CZ 3.56Å; L10-F12 HydrophobicContact CG-CD2 4.25Å; L10-F12 HydrophobicContact CG-CE2 3.82Å; L10-F12 HydrophobicContact CG-CZ 4.2Å; L10-F12 WeakPolarHBondContact O-CA 3.44Å; L10-F12 WeakPolarHBondContact O-CB 3.49Å; L10-F12 WeakPolarHBondContact O-CG 3.44Å; L10-F12 PolarHBondContact O-N 3.49Å; F12-S14 WeakPolarHBondContact O-CA 3.47Å; F12-S14 PolarHBondContact O-N 3.5Å; F12-A15 HydrophobicContact CD1-CB 3.74Å; F12-A15 HydrophobicContact CE1-CB 4.39Å; F12-A15 PolarHBondContact O-N 2.97Å; F12-M133 HydrophobicContact CZ-CE 4.18Å | ||
| 13 | D | 25.6 | Very low | 32.3 | Very low | 146 Ų | 146 | 91.3 Ų | 91.3 | 78% | 0.781 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -16 | -177.8 | -96.5 | -7.3 | 0 | 0 | 0 | 113.2 | ||
| 14 | S | 29.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 83 Ų | 83 | 69% | 0.692 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -167.9 | 69.2 | 155.8 | 50 | 0 | 0 | 0 | 0 | 109.2 | F12 V16 | F12-S14 WeakPolarHBondContact O-CA 3.47Å; F12-S14 PolarHBondContact O-N 3.5Å; S14-V16 PolarHBondContact O-N 3.35Å |
| 15 | A | 30.1 | Very low | 34.9 | Very low | 54 Ų | 54 | 84 Ų | 84 | 45% | 0.446 | 46% | 0.464 | S | S | . | . | trans | -71 | 81.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | F12 L17 | F12-A15 HydrophobicContact CD1-CB 3.74Å; F12-A15 HydrophobicContact CE1-CB 4.39Å; F12-A15 PolarHBondContact O-N 2.97Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.76Å | ||
| 16 | V | 30.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 80.7 Ų | 80.7 | 62% | 0.624 | 46% | 0.46 | S | S | * | . | trans | -52 | 107.7 | 160 | 178.2 | 0 | 0 | 0 | 0 | 104.3 | S14 N18 | S14-V16 PolarHBondContact O-N 3.35Å; V16-N18 PolarHBondContact O-N 3.19Å | ||
| 17 | L | 39.6 | Very low | 37.7 | Very low | 31 Ų | 31 | 79.4 Ų | 79.4 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | trans | -50.5 | 117 | 171.3 | -70.7 | 164.6 | 0 | 0 | 0 | 105.6 | A15 M19 V83 I86 F136 | A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 PolarHBondContact O-N 2.76Å; L17-M19 HydrophobicContact CB-CG 3.71Å; L17-M19 HydrophobicContact CB-SD 3.58Å; L17-M19 VanDerWaalsContact CB-SD 3.58Å; L17-M19 HydrophobicContact CD1-SD 4.17Å; L17-M19 HydrophobicContact CG-SD 4.36Å; L17-M19 PolarHBondContact O-N 3.22Å; L17-V83 HydrophobicContact CD1-CG1 4.02Å; L17-I86 HydrophobicContact CD1-CG1 4.27Å; L17-I86 HydrophobicContact CD2-CD1 3.66Å; L17-I86 HydrophobicContact CD2-CG1 4.05Å; L17-F136 HydrophobicContact CD2-CB 4.34Å; L17-F136 VanDerWaalsContact CD2-O 3.26Å; L17-F136 WeakPolarHBondContact CD2-O 3.4Å | ||
| 18 | N | 43.5 | Very low | 39.3 | Very low | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | trans | -77 | 74.8 | 175.5 | -168.5 | -6 | 0 | 0 | 0 | 107.4 | V16 D20 G21 | V16-N18 PolarHBondContact O-N 3.19Å; N18-D20 PolarHBondContact O-N 3.45Å; N18-D20 WeakPolarHBondContact OD1-CB 3.14Å; N18-D20 PolarHBondContact OD1-N 2.99Å; N18-G21 PolarHBondContact O-N 3.21Å; N18-G21 VanDerWaalsContact O-N 3.08Å; N18-G21 PolarHBondContact OD1-N 3.14Å | ||
| 19 | M | 44.1 | Very low | 41.3 | Very low | 32 Ų | 32 | 80.8 Ų | 80.8 | 16% | 0.158 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -68.9 | -17.8 | -179.7 | -60.1 | -58.4 | -67.7 | 0 | 0 | 111.3 | L17 G21 I22 A80 V83 | L17-M19 HydrophobicContact CB-CG 3.71Å; L17-M19 HydrophobicContact CB-SD 3.58Å; L17-M19 VanDerWaalsContact CB-SD 3.58Å; L17-M19 HydrophobicContact CD1-SD 4.17Å; L17-M19 HydrophobicContact CG-SD 4.36Å; L17-M19 PolarHBondContact O-N 3.22Å; M19-G21 PolarHBondContact O-N 3.14Å; M19-I22 HydrophobicContact CE-CD1 3.52Å; M19-I22 WeakPolarHBondContact O-CB 3.38Å; M19-I22 PolarHBondContact O-N 2.95Å; M19-I22 VanDerWaalsContact O-N 3.09Å; M19-I22 HydrophobicContact SD-CD1 3.6Å; M19-I22 VanDerWaalsContact SD-CD1 3.6Å; M19-A80 HydrophobicContact CE-CB 3.72Å; M19-A80 WeakPolarHBondContact CE-O 3.31Å; M19-V83 HydrophobicContact CE-CB 4.36Å |
| 20 | D | 40.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 77.4 Ų | 77.4 | 67% | 0.668 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -65.4 | -30.6 | 171.6 | -54.8 | -31.4 | 0 | 0 | 0 | 110.2 | N18 I22 Q23 | N18-D20 PolarHBondContact O-N 3.45Å; N18-D20 WeakPolarHBondContact OD1-CB 3.14Å; N18-D20 PolarHBondContact OD1-N 2.99Å; D20-I22 VanDerWaalsContact C-N 3.26Å; D20-I22 PolarHBondContact O-N 3.48Å; D20-Q23 PolarHBondContact O-N 3.28Å |
| 21 | G | 45.7 | Very low | 45.9 | Very low | 26 Ų | 26 | 76.4 Ų | 76.4 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -63.5 | -27.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N18 M19 Q23 N24 L27 | N18-G21 PolarHBondContact O-N 3.21Å; N18-G21 VanDerWaalsContact O-N 3.08Å; N18-G21 PolarHBondContact OD1-N 3.14Å; M19-G21 PolarHBondContact O-N 3.14Å; G21-Q23 VanDerWaalsContact C-N 3.28Å; G21-Q23 PolarHBondContact O-N 3.14Å; G21-N24 WeakPolarHBondContact O-CB 3.09Å; G21-N24 PolarHBondContact O-N 3.28Å; G21-N24 VanDerWaalsContact O-N 3.12Å; G21-L27 WeakPolarHBondContact O-CD1 3.48Å |
| 22 | I | 47.9 | Very low | 48.3 | Very low | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -76.7 | -19 | 178.8 | -66.4 | 166.7 | 0 | 0 | 0 | 111.7 | M19 D20 N24 L54 A80 V135 F136 | M19-I22 HydrophobicContact CE-CD1 3.52Å; M19-I22 WeakPolarHBondContact O-CB 3.38Å; M19-I22 PolarHBondContact O-N 2.95Å; M19-I22 VanDerWaalsContact O-N 3.09Å; M19-I22 HydrophobicContact SD-CD1 3.6Å; M19-I22 VanDerWaalsContact SD-CD1 3.6Å; D20-I22 VanDerWaalsContact C-N 3.26Å; D20-I22 PolarHBondContact O-N 3.48Å; I22-N24 PolarHBondContact O-N 3.28Å; I22-L54 HydrophobicContact CG2-CD1 4.11Å; I22-L54 HydrophobicContact CG2-CD2 4.13Å; I22-A80 HydrophobicContact CD1-CB 4.07Å; I22-A80 HydrophobicContact CG2-CB 3.7Å; I22-V135 HydrophobicContact CG1-CG1 4.46Å; I22-F136 HydrophobicContact CD1-CD1 3.52Å; I22-F136 HydrophobicContact CD1-CE1 3.76Å; I22-F136 HydrophobicContact CD1-CG 4.46Å |
| 23 | Q | 42.6 | Very low | 50.5 | Low | 149 Ų | 149 | 67.7 Ų | 67.7 | 70% | 0.696 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -77 | -2.3 | 169.2 | -60 | -169.8 | 6.1 | 0 | 0 | 112.6 | D20 G21 P25 | D20-Q23 PolarHBondContact O-N 3.28Å; G21-Q23 VanDerWaalsContact C-N 3.28Å; G21-Q23 PolarHBondContact O-N 3.14Å; Q23-P25 VanDerWaalsContact O-CD 3.24Å; Q23-P25 WeakPolarHBondContact O-CD 3.28Å; Q23-P25 VanDerWaalsContact O-N 3.17Å |
| 24 | N | 49.8 | Very low | 53.2 | Low | 69 Ų | 69 | 62 Ų | 62 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | trans | -61.1 | 118.5 | 173.6 | -170.2 | -23.4 | 0 | 0 | 0 | 109.3 | G21 I22 L26 L27 | G21-N24 WeakPolarHBondContact O-CB 3.09Å; G21-N24 PolarHBondContact O-N 3.28Å; G21-N24 VanDerWaalsContact O-N 3.12Å; I22-N24 PolarHBondContact O-N 3.28Å; N24-L26 PolarHBondContact O-N 3.02Å; N24-L26 VanDerWaalsContact OD1-CB 3.31Å; N24-L26 WeakPolarHBondContact OD1-CB 3.39Å; N24-L26 WeakPolarHBondContact OD1-CG 3.45Å; N24-L26 PolarHBondContact OD1-N 2.85Å; N24-L27 HydrophobicContact CB-CD1 4.4Å; N24-L27 HydrophobicContact CB-CG 4.34Å; N24-L27 PolarHBondContact O-N 3.06Å | ||
| 25 | P | 50.4 | Low | 56 | Low | 103 Ų | 103 | 57.3 Ų | 57.3 | 67% | 0.669 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.1 | -25.6 | 179.1 | -24.4 | 33.4 | 0 | 0 | 0 | 113 | Q23 L27 N28 | Q23-P25 VanDerWaalsContact O-CD 3.24Å; Q23-P25 WeakPolarHBondContact O-CD 3.28Å; Q23-P25 VanDerWaalsContact O-N 3.17Å; P25-L27 PolarHBondContact O-N 2.84Å; P25-N28 WeakPolarHBondContact O-CB 3.49Å; P25-N28 PolarHBondContact O-N 2.88Å |
| 26 | L | 49.9 | Very low | 58.6 | Low | 114 Ų | 114 | 56.9 Ų | 56.9 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -69.8 | -18.1 | 177.1 | -60.3 | 173.6 | 0 | 0 | 0 | 113.9 | N24 | N24-L26 PolarHBondContact O-N 3.02Å; N24-L26 VanDerWaalsContact OD1-CB 3.31Å; N24-L26 WeakPolarHBondContact OD1-CB 3.39Å; N24-L26 WeakPolarHBondContact OD1-CG 3.45Å; N24-L26 PolarHBondContact OD1-N 2.85Å |
| 27 | L | 58.1 | Low | 61.3 | Low | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -99 | -5.9 | 175.4 | -62.4 | -179.6 | 0 | 0 | 0 | 112.5 | G21 N24 P25 L30 L54 | G21-L27 WeakPolarHBondContact O-CD1 3.48Å; N24-L27 HydrophobicContact CB-CD1 4.4Å; N24-L27 HydrophobicContact CB-CG 4.34Å; N24-L27 PolarHBondContact O-N 3.06Å; P25-L27 PolarHBondContact O-N 2.84Å; L27-L30 HydrophobicContact CD2-CD2 4.19Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; L27-L54 HydrophobicContact CB-CD2 4.49Å |
| 28 | N | 59 | Low | 63.4 | Low | 54 Ų | 54 | 53.6 Ų | 53.6 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 141.4 | 171.7 | -97.6 | -5.5 | 0 | 0 | 0 | 110 | P25 L30 D56 G57 | P25-N28 WeakPolarHBondContact O-CB 3.49Å; P25-N28 PolarHBondContact O-N 2.88Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.36Å; N28-D56 PolarHBondContact ND2-OD1 2.98Å; N28-D56 VanDerWaalsContact OD1-CA 3.26Å; N28-D56 WeakPolarHBondContact OD1-CA 3.05Å; N28-D56 PolarHBondContact OD1-N 3.37Å; N28-G57 PolarHBondContact OD1-N 2.83Å |
| 29 | N | 67.9 | Low | 64.6 | Low | 93 Ų | 93 | 50.8 Ų | 50.8 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 21.4 | -175.1 | -67.7 | -40.4 | 0 | 0 | 0 | 115.8 | W31 K53 L54 S55 | N29-W31 PolarHBondContact O-N 2.82Å; N29-K53 WeakPolarHBondContact OD1-CE 3.28Å; N29-L54 CarbonylContact C-O 3.55Å; N29-L54 WeakPolarHBondContact CA-O 3.39Å; N29-L54 PolarHBondContact N-O 2.72Å; N29-S55 VanDerWaalsContact OD1-CB 3.25Å; N29-S55 WeakPolarHBondContact OD1-CB 3.26Å |
| 30 | L | 72.2 | Confident | 65.3 | Low | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.1 | 176.8 | -176.1 | 64.2 | 0 | 0 | 0 | 112.3 | L27 N28 L32 L54 L131 V135 | L27-L30 HydrophobicContact CD2-CD2 4.19Å; L27-L30 WeakPolarHBondContact O-CB 3.46Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 3.36Å; L30-L32 HydrophobicContact CD2-CD2 3.71Å; L30-L32 HydrophobicContact CG-CD2 4.03Å; L30-L32 PolarHBondContact O-N 2.93Å; L30-L54 PolarHBondContact N-O 2.76Å; L30-L54 PolarHBondContact O-N 3.18Å; L30-L131 HydrophobicContact CD2-CD1 4.44Å; L30-V135 HydrophobicContact CD2-CG2 3.78Å |
| 31 | W | 78.6 | Confident | 66.1 | Low | 55 Ų | 55 | 55.2 Ų | 55.2 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 112.9 | 165.6 | -78.7 | 108.8 | 0 | 0 | 0 | 110.7 | N29 G33 H51 K53 Y62 D67 | N29-W31 PolarHBondContact O-N 2.82Å; W31-G33 PolarHBondContact O-N 2.93Å; W31-H51 HydrophobicContact CE3-CB 4.41Å; W31-H51 HydrophobicContact CZ3-CB 3.72Å; W31-K53 HydrophobicContact CD2-CB 4.26Å; W31-K53 HydrophobicContact CD2-CG 4.26Å; W31-K53 HydrophobicContact CE3-CB 3.86Å; W31-K53 HydrophobicContact CE3-CG 4.37Å; W31-K53 HydrophobicContact CH2-CB 4.32Å; W31-K53 HydrophobicContact CH2-CD 4.45Å; W31-K53 HydrophobicContact CZ2-CD 4.18Å; W31-K53 HydrophobicContact CZ3-CB 3.88Å; W31-Y62 HydrophobicContact CH2-CD2 4.02Å; W31-Y62 HydrophobicContact CH2-CE2 4.48Å; W31-Y62 HydrophobicContact CZ3-CD2 4.09Å; W31-D67 PolarHBondContact NE1-OD1 2.86Å |
| 32 | L | 76.5 | Confident | 66.1 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 3.1 | 179.2 | -59.2 | 178.4 | 0 | 0 | 0 | 113.2 | L30 A52 L54 L59 T128 L131 W132 V135 F136 | L30-L32 HydrophobicContact CD2-CD2 3.71Å; L30-L32 HydrophobicContact CG-CD2 4.03Å; L30-L32 PolarHBondContact O-N 2.93Å; L32-A52 HydrophobicContact CB-CB 4.13Å; L32-A52 PolarHBondContact N-O 3.29Å; L32-L54 HydrophobicContact CD1-CB 4.09Å; L32-L54 HydrophobicContact CG-CB 4.25Å; L32-L59 HydrophobicContact CD1-CD1 3.51Å; L32-T128 WeakPolarHBondContact O-CG2 3.46Å; L32-L131 HydrophobicContact CD2-CD2 4.49Å; L32-L131 HydrophobicContact CD2-CG 4.31Å; L32-W132 HydrophobicContact CB-CZ2 4.18Å; L32-W132 HydrophobicContact CD1-CD2 4.28Å; L32-W132 HydrophobicContact CD1-CZ2 4.25Å; L32-W132 PolarHBondContact O-NE1 3.47Å; L32-V135 HydrophobicContact CD2-CB 4.37Å; L32-V135 HydrophobicContact CD2-CG1 4.38Å; L32-V135 HydrophobicContact CD2-CG2 3.77Å; L32-F136 HydrophobicContact CD1-CE2 4.28Å |
| 33 | G | 80.7 | Confident | 65.8 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.5 | -164 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W31 A52 | W31-G33 PolarHBondContact O-N 2.93Å; G33-A52 PolarHBondContact O-N 3.29Å |
| 34 | C | 82.4 | Confident | 66.2 | Low | 26 Ų | 26 | 71.3 Ų | 71.3 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127 | -174.4 | -167 | 0 | 0 | 0 | 0 | 110.9 | K49 R50 H51 P124 | C34-K49 WeakPolarHBondContact SG-CE 3.35Å; C34-K49 WeakPolarHBondContact SG-CG 3.43Å; C34-R50 CarbonylContact C-O 3.59Å; C34-R50 WeakPolarHBondContact CA-O 3.5Å; C34-H51 VanDerWaalsContact SG-CE1 3.52Å; C34-P124 WeakPolarHBondContact O-CD 3.22Å; C34-P124 VanDerWaalsContact O-CG 3.29Å; C34-P124 WeakPolarHBondContact O-CG 3.13Å |
| 35 | V | 85.9 | Confident | 66.9 | Low | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.8 | -177.3 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | I37 K49 R50 A52 F61 V121 F123 T128 W132 | V35-I37 HydrophobicContact CG2-CG2 4Å; V35-K49 CarbonylContact O-C 3.42Å; V35-K49 WeakPolarHBondContact O-CA 3.38Å; V35-R50 PolarHBondContact N-O 2.8Å; V35-R50 PolarHBondContact O-N 3.15Å; V35-R50 VanDerWaalsContact O-O 3.12Å; V35-A52 HydrophobicContact CG2-CB 4.26Å; V35-F61 HydrophobicContact CG2-CD1 4.19Å; V35-F61 HydrophobicContact CG2-CE1 3.87Å; V35-V121 HydrophobicContact CB-CG1 3.65Å; V35-V121 HydrophobicContact CG1-CG1 3.96Å; V35-V121 HydrophobicContact CG2-CG1 3.83Å; V35-F123 HydrophobicContact CG1-CD1 3.8Å; V35-F123 HydrophobicContact CG1-CE1 3.71Å; V35-T128 HydrophobicContact CG1-CG2 3.93Å; V35-W132 HydrophobicContact CG1-CZ2 3.75Å; V35-W132 HydrophobicContact CG2-CZ2 4.03Å |
| 36 | N | 85.4 | Confident | 68.1 | Low | 45 Ų | 45 | 69.3 Ų | 69.3 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.9 | 171.9 | -71.5 | -41.6 | 0 | 0 | 0 | 108.8 | W47 H48 K49 V121 R122 | N36-W47 HydrophobicContact CB-CE3 4.11Å; N36-W47 VanDerWaalsContact O-CZ3 3.31Å; N36-W47 WeakPolarHBondContact O-CZ3 2.76Å; N36-H48 CarbonylContact C-O 3.59Å; N36-H48 WeakPolarHBondContact CA-O 3.25Å; N36-K49 WeakPolarHBondContact OD1-CA 3.42Å; N36-K49 PolarHBondContact OD1-N 3.3Å; N36-V121 CarbonylContact O-C 3.58Å; N36-V121 WeakPolarHBondContact O-CA 3.39Å; N36-R122 HydrophobicContact CB-CB 4.05Å; N36-R122 PolarHBondContact N-O 2.95Å; N36-R122 PolarHBondContact O-N 2.87Å |
| 37 | I | 86.4 | Confident | 69.6 | Low | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145.3 | 174.7 | 67.8 | 172.1 | 0 | 0 | 0 | 110.5 | V35 C39 W47 H48 R50 F61 H120 V121 | V35-I37 HydrophobicContact CG2-CG2 4Å; I37-C39 PolarHBondContact O-N 2.8Å; I37-W47 WeakPolarHBondContact O-CA 3.25Å; I37-H48 PolarHBondContact N-O 3.29Å; I37-H48 PolarHBondContact O-N 3.32Å; I37-R50 HydrophobicContact CD1-CB 4.41Å; I37-R50 HydrophobicContact CD1-CG 3.66Å; I37-R50 HydrophobicContact CG1-CB 4.37Å; I37-R50 HydrophobicContact CG1-CG 3.64Å; I37-F61 HydrophobicContact CD1-CB 4.07Å; I37-F61 HydrophobicContact CD1-CD1 4.27Å; I37-F61 HydrophobicContact CD1-CG 4.07Å; I37-F61 HydrophobicContact CG2-CD1 3.67Å; I37-F61 HydrophobicContact CG2-CE1 3.54Å; I37-F61 HydrophobicContact CG2-CG 4.42Å; I37-F61 HydrophobicContact CG2-CZ 4.21Å; I37-H120 WeakPolarHBondContact CA-O 3.33Å; I37-V121 HydrophobicContact CG2-CG1 4.45Å; I37-V121 HydrophobicContact CG2-CG2 4.19Å |
| 38 | K | 84.1 | Confident | 70.7 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 107.7 | 169.9 | -165.5 | -179.4 | -179.6 | -171.1 | 0 | 108.5 | T45 W47 H120 | K38-T45 VanDerWaalsContact CE-CG2 3.46Å; K38-W47 HydrophobicContact CB-CD2 4.29Å; K38-W47 HydrophobicContact CB-CE3 4.11Å; K38-W47 HydrophobicContact CB-CH2 4.02Å; K38-W47 HydrophobicContact CB-CZ2 4.16Å; K38-W47 HydrophobicContact CB-CZ3 3.98Å; K38-W47 HydrophobicContact CD-CZ2 4.21Å; K38-W47 HydrophobicContact CG-CZ2 4.44Å; K38-H120 HydrophobicContact CB-CB 3.85Å; K38-H120 HydrophobicContact CD-CB 4.32Å; K38-H120 PolarHBondContact N-O 2.93Å |
| 39 | C | 69.1 | Low | 71.8 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.2 | 167.4 | -58.6 | 0 | 0 | 0 | 0 | 107.9 | I37 K41 T46 | I37-C39 PolarHBondContact O-N 2.8Å; C39-K41 PolarHBondContact O-N 2.79Å; C39-T46 PolarHBondContact N-O 3.39Å |
| 40 | S | 59.5 | Low | 72.7 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 72% | 0.72 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 100.9 | 166.8 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | ||
| 41 | K | 56.8 | Low | 73.3 | Confident | 146 Ų | 146 | 69.2 Ų | 69.2 | 64% | 0.635 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 150.1 | 147.5 | -71.6 | -167.3 | 175.6 | -167.3 | 0 | 107.2 | C39 Y43 R44 | C39-K41 PolarHBondContact O-N 2.79Å; K41-Y43 PolarHBondContact O-N 2.92Å; K41-R44 PolarHBondContact O-N 3.34Å |
| 42 | P | 45.6 | Very low | 73.6 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 72% | 0.721 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.1 | -172.8 | -12.6 | 13.2 | 0 | 0 | 0 | 113.7 | ||
| 43 | Y | 41.4 | Very low | 74 | Confident | 216 Ų | 216 | 68.2 Ų | 68.2 | 85% | 0.847 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -9.7 | -169.2 | -31 | -73.1 | 0 | 0 | 0 | 114.3 | K41 | K41-Y43 PolarHBondContact O-N 2.92Š|
| 44 | R | 50.2 | Low | 74 | Confident | 189 Ų | 189 | 66.9 Ų | 66.9 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 124.1 | -179.6 | -144.8 | 175.1 | -175.3 | 179.5 | 1.7 | 111.1 | K41 T46 | K41-R44 PolarHBondContact O-N 3.34Å; R44-T46 HydrophobicContact CB-CG2 4.37Å; R44-T46 HydrophobicContact CG-CG2 3.97Å; R44-T46 PolarHBondContact O-N 3.02Å |
| 45 | T | 64.6 | Low | 73.7 | Confident | 89 Ų | 89 | 66.4 Ų | 66.4 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 99.5 | 166.8 | 57.1 | 0 | 0 | 0 | 0 | 109.4 | K38 | K38-T45 VanDerWaalsContact CE-CG2 3.46Å |
| 46 | T | 75.2 | Confident | 73.1 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145 | 176 | 41.3 | 0 | 0 | 0 | 0 | 110.8 | C39 R44 H48 | C39-T46 PolarHBondContact N-O 3.39Å; R44-T46 HydrophobicContact CB-CG2 4.37Å; R44-T46 HydrophobicContact CG-CG2 3.97Å; R44-T46 PolarHBondContact O-N 3.02Å; T46-H48 PolarHBondContact O-CD2 2.74Å; T46-H48 PolarHBondContact OG1-CE1 3.13Å; T46-H48 VanDerWaalsContact OG1-CE1 3.32Å; T46-H48 PolarHBondContact OG1-NE2 2.77Å |
| 47 | W | 81.1 | Confident | 72.4 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 28% | 0.284 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132 | 171.1 | -69.5 | 91.3 | 0 | 0 | 0 | 108.3 | N36 I37 K38 Q108 H120 R122 | N36-W47 HydrophobicContact CB-CE3 4.11Å; N36-W47 VanDerWaalsContact O-CZ3 3.31Å; N36-W47 WeakPolarHBondContact O-CZ3 2.76Å; I37-W47 WeakPolarHBondContact O-CA 3.25Å; K38-W47 HydrophobicContact CB-CD2 4.29Å; K38-W47 HydrophobicContact CB-CE3 4.11Å; K38-W47 HydrophobicContact CB-CH2 4.02Å; K38-W47 HydrophobicContact CB-CZ2 4.16Å; K38-W47 HydrophobicContact CB-CZ3 3.98Å; K38-W47 HydrophobicContact CD-CZ2 4.21Å; K38-W47 HydrophobicContact CG-CZ2 4.44Å; W47-Q108 HydrophobicContact CH2-CG 4.1Å; W47-H120 HydrophobicContact CH2-CB 3.58Å; W47-H120 HydrophobicContact CZ2-CB 4.41Å; W47-H120 HydrophobicContact CZ3-CB 4.14Å; W47-R122 HydrophobicContact CE3-CB 4.22Å; W47-R122 HydrophobicContact CE3-CG 4.08Å; W47-R122 HydrophobicContact CH2-CB 4.44Å; W47-R122 VanDerWaalsContact CH2-CD 3.49Å; W47-R122 HydrophobicContact CH2-CG 3.55Å; W47-R122 VanDerWaalsContact CH2-NE 3.3Å; W47-R122 HydrophobicContact CZ2-CG 4.21Å; W47-R122 VanDerWaalsContact CZ2-NH2 3.33Å; W47-R122 HydrophobicContact CZ3-CB 3.88Å; W47-R122 HydrophobicContact CZ3-CG 3.49Å; W47-R122 VanDerWaalsContact CZ3-CG 3.49Å |
| 48 | H | 82 | Confident | 72 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.8 | 179.2 | -62.3 | -77.4 | 0 | 0 | 0 | 110.6 | N36 I37 T46 R50 | N36-H48 CarbonylContact C-O 3.59Å; N36-H48 WeakPolarHBondContact CA-O 3.25Å; I37-H48 PolarHBondContact N-O 3.29Å; I37-H48 PolarHBondContact O-N 3.32Å; T46-H48 PolarHBondContact O-CD2 2.74Å; T46-H48 PolarHBondContact OG1-CE1 3.13Å; T46-H48 VanDerWaalsContact OG1-CE1 3.32Å; T46-H48 PolarHBondContact OG1-NE2 2.77Å; H48-R50 PolarHBondContact O-N 2.97Å |
| 49 | K | 83.1 | Confident | 72.1 | Confident | 129 Ų | 129 | 70.8 Ų | 70.8 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 127 | 170.6 | -170 | 177.3 | 178.7 | -176.5 | 0 | 109.7 | C34 V35 N36 | C34-K49 WeakPolarHBondContact SG-CE 3.35Å; C34-K49 WeakPolarHBondContact SG-CG 3.43Å; V35-K49 CarbonylContact O-C 3.42Å; V35-K49 WeakPolarHBondContact O-CA 3.38Å; N36-K49 WeakPolarHBondContact OD1-CA 3.42Å; N36-K49 PolarHBondContact OD1-N 3.3Å |
| 50 | R | 86.1 | Confident | 72.8 | Confident | 32 Ų | 32 | 70 Ų | 70 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.6 | -179.8 | -65.8 | -64.3 | 179 | -99.8 | 0.6 | 110.5 | C34 V35 I37 H48 F61 Y62 | C34-R50 CarbonylContact C-O 3.59Å; C34-R50 WeakPolarHBondContact CA-O 3.5Å; V35-R50 PolarHBondContact N-O 2.8Å; V35-R50 PolarHBondContact O-N 3.15Å; V35-R50 VanDerWaalsContact O-O 3.12Å; I37-R50 HydrophobicContact CD1-CB 4.41Å; I37-R50 HydrophobicContact CD1-CG 3.66Å; I37-R50 HydrophobicContact CG1-CB 4.37Å; I37-R50 HydrophobicContact CG1-CG 3.64Å; H48-R50 PolarHBondContact O-N 2.97Å; R50-F61 HydrophobicContact CB-CB 4.13Å; R50-F61 HydrophobicContact CB-CD1 4.19Å; R50-F61 HydrophobicContact CG-CB 4.35Å; R50-Y62 CarbonylContact C-O 3.58Å; R50-Y62 VanDerWaalsContact CA-O 3.23Å; R50-Y62 WeakPolarHBondContact CA-O 3.23Å; R50-Y62 WeakPolarHBondContact CB-O 3.43Å; R50-Y62 WeakPolarHBondContact CD-O 3.19Å |
| 51 | H | 84.6 | Confident | 74.1 | Confident | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.3 | 172.3 | -67.9 | -84.2 | 0 | 0 | 0 | 108.7 | W31 C34 F61 Y62 F64 K65 | W31-H51 HydrophobicContact CE3-CB 4.41Å; W31-H51 HydrophobicContact CZ3-CB 3.72Å; C34-H51 VanDerWaalsContact SG-CE1 3.52Å; H51-F61 CarbonylContact O-C 3.6Å; H51-F61 WeakPolarHBondContact O-CA 3.22Å; H51-Y62 PolarHBondContact N-O 2.82Å; H51-Y62 PolarHBondContact O-N 3.09Å; H51-F64 VanDerWaalsContact CD2-C 3.43Å; H51-K65 PolarHBondContact CD2-N 3.33Å; H51-K65 VanDerWaalsContact CE1-CB 3.48Å; H51-K65 WeakPolarHBondContact CE1-CB 3.3Å; H51-K65 WeakPolarHBondContact ND1-CB 3.4Å |
| 52 | A | 85.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L32 G33 V35 L59 S60 F61 W132 | L32-A52 HydrophobicContact CB-CB 4.13Å; L32-A52 PolarHBondContact N-O 3.29Å; G33-A52 PolarHBondContact O-N 3.29Å; V35-A52 HydrophobicContact CG2-CB 4.26Å; A52-L59 HydrophobicContact CB-CD1 4.36Å; A52-S60 CarbonylContact C-O 3.56Å; A52-S60 WeakPolarHBondContact CA-O 3.49Å; A52-F61 HydrophobicContact CB-CD1 4.02Å; A52-F61 HydrophobicContact CB-CE1 3.9Å; A52-W132 HydrophobicContact CB-CH2 4Å; A52-W132 HydrophobicContact CB-CZ2 3.4Å; A52-W132 VanDerWaalsContact CB-CZ2 3.4Å |
| 53 | K | 83.4 | Confident | 77.1 | Confident | 33 Ų | 33 | 60 Ų | 60 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.8 | 173.2 | -169.3 | -179.5 | 176.9 | -178.2 | 0 | 108.7 | N29 W31 L59 S60 Y62 | N29-K53 WeakPolarHBondContact OD1-CE 3.28Å; W31-K53 HydrophobicContact CD2-CB 4.26Å; W31-K53 HydrophobicContact CD2-CG 4.26Å; W31-K53 HydrophobicContact CE3-CB 3.86Å; W31-K53 HydrophobicContact CE3-CG 4.37Å; W31-K53 HydrophobicContact CH2-CB 4.32Å; W31-K53 HydrophobicContact CH2-CD 4.45Å; W31-K53 HydrophobicContact CZ2-CD 4.18Å; W31-K53 HydrophobicContact CZ3-CB 3.88Å; K53-L59 WeakPolarHBondContact O-CA 3.36Å; K53-S60 PolarHBondContact N-O 3Å; K53-S60 PolarHBondContact O-N 2.56Å; K53-Y62 HydrophobicContact CB-CD2 4.4Å; K53-Y62 HydrophobicContact CB-CE2 3.85Å; K53-Y62 HydrophobicContact CD-CE2 4.48Å |
| 54 | L | 80.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.9 | 168 | -178.6 | 65.3 | 0 | 0 | 0 | 107.9 | I22 L27 N29 L30 L32 K58 V135 | I22-L54 HydrophobicContact CG2-CD1 4.11Å; I22-L54 HydrophobicContact CG2-CD2 4.13Å; L27-L54 HydrophobicContact CB-CD2 4.49Å; N29-L54 CarbonylContact C-O 3.55Å; N29-L54 WeakPolarHBondContact CA-O 3.39Å; N29-L54 PolarHBondContact N-O 2.72Å; L30-L54 PolarHBondContact N-O 2.76Å; L30-L54 PolarHBondContact O-N 3.18Å; L32-L54 HydrophobicContact CD1-CB 4.09Å; L32-L54 HydrophobicContact CG-CB 4.25Å; L54-K58 WeakPolarHBondContact CA-O 3.49Å; L54-V135 HydrophobicContact CD2-CG1 3.55Å |
| 55 | S | 76.8 | Confident | 79.1 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 128.7 | -179.9 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | N29 G57 K58 | N29-S55 VanDerWaalsContact OD1-CB 3.25Å; N29-S55 WeakPolarHBondContact OD1-CB 3.26Å; S55-G57 VanDerWaalsContact C-N 3.26Å; S55-G57 PolarHBondContact O-N 2.9Å; S55-K58 PolarHBondContact N-O 2.83Å; S55-K58 WeakPolarHBondContact O-CA 3.38Å; S55-K58 VanDerWaalsContact O-CB 3.22Å; S55-K58 WeakPolarHBondContact O-CB 3.48Å; S55-K58 PolarHBondContact O-N 2.81Å |
| 56 | D | 73.2 | Confident | 78.5 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 57% | 0.572 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 42.8 | -179.7 | -50.6 | -35.8 | 0 | 0 | 0 | 113.2 | N28 K58 | N28-D56 PolarHBondContact ND2-OD1 2.98Å; N28-D56 VanDerWaalsContact OD1-CA 3.26Å; N28-D56 WeakPolarHBondContact OD1-CA 3.05Å; N28-D56 PolarHBondContact OD1-N 3.37Å; D56-K58 PolarHBondContact O-N 2.93Å |
| 57 | G | 70.4 | Confident | 77.4 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 10.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N28 S55 A80 | N28-G57 PolarHBondContact OD1-N 2.83Å; S55-G57 VanDerWaalsContact C-N 3.26Å; S55-G57 PolarHBondContact O-N 2.9Å; G57-A80 VanDerWaalsContact O-CB 3.23Å; G57-A80 WeakPolarHBondContact O-CB 3.49Å; G57-A80 PolarHBondContact O-N 3.44Å |
| 58 | K | 79 | Confident | 75.6 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 34% | 0.335 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.9 | 173.6 | -59 | 172.1 | -175.3 | 169 | 0 | 109.6 | L54 S55 D56 T77 Y79 | L54-K58 WeakPolarHBondContact CA-O 3.49Å; S55-K58 PolarHBondContact N-O 2.83Å; S55-K58 WeakPolarHBondContact O-CA 3.38Å; S55-K58 VanDerWaalsContact O-CB 3.22Å; S55-K58 WeakPolarHBondContact O-CB 3.48Å; S55-K58 PolarHBondContact O-N 2.81Å; D56-K58 PolarHBondContact O-N 2.93Å; K58-T77 HydrophobicContact CB-CG2 3.83Å; K58-T77 HydrophobicContact CD-CG2 4.34Å; K58-T77 HydrophobicContact CG-CG2 4.3Å; K58-Y79 HydrophobicContact CD-CE1 4.16Å; K58-Y79 HydrophobicContact CG-CD1 3.92Å; K58-Y79 HydrophobicContact CG-CE1 3.79Å |
| 59 | L | 84.9 | Confident | 73.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 105.6 | 167.8 | 179.9 | 65.8 | 0 | 0 | 0 | 108.8 | L32 A52 K53 F61 T77 I78 M119 W132 F136 | L32-L59 HydrophobicContact CD1-CD1 3.51Å; A52-L59 HydrophobicContact CB-CD1 4.36Å; K53-L59 WeakPolarHBondContact O-CA 3.36Å; L59-F61 HydrophobicContact CD1-CZ 4.36Å; L59-F61 HydrophobicContact CD2-CE2 3.87Å; L59-F61 HydrophobicContact CD2-CZ 3.66Å; L59-F61 HydrophobicContact CG-CE2 3.75Å; L59-F61 HydrophobicContact CG-CZ 3.78Å; L59-T77 CarbonylContact O-C 3.57Å; L59-T77 WeakPolarHBondContact O-CA 3.26Å; L59-I78 WeakPolarHBondContact CB-O 3.28Å; L59-I78 PolarHBondContact N-O 3.34Å; L59-I78 PolarHBondContact O-N 3.45Å; L59-M119 HydrophobicContact CD2-CE 3.94Å; L59-W132 HydrophobicContact CD1-CH2 3.91Å; L59-W132 HydrophobicContact CD1-CZ3 4.25Å; L59-W132 HydrophobicContact CD2-CH2 3.92Å; L59-W132 HydrophobicContact CD2-CZ3 3.76Å; L59-W132 HydrophobicContact CG-CH2 4.42Å; L59-F136 HydrophobicContact CD1-CZ 4.45Å; L59-F136 HydrophobicContact CD2-CZ 4.01Å |
| 60 | S | 85.4 | Confident | 72 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140 | -176.2 | -70.9 | 0 | 0 | 0 | 0 | 111.4 | A52 K53 T77 | A52-S60 CarbonylContact C-O 3.56Å; A52-S60 WeakPolarHBondContact CA-O 3.49Å; K53-S60 PolarHBondContact N-O 3Å; K53-S60 PolarHBondContact O-N 2.56Å; S60-T77 WeakPolarHBondContact OG-CG2 3.3Å; S60-T77 PolarHBondContact OG-OG1 3.08Å; S60-T77 VanDerWaalsContact OG-OG1 3.09Å |
| 61 | F | 87 | Confident | 70.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114 | -177.1 | -64.8 | -86.3 | 0 | 0 | 0 | 111.5 | V35 I37 R50 H51 A52 L59 P74 V75 K76 M119 W132 | V35-F61 HydrophobicContact CG2-CD1 4.19Å; V35-F61 HydrophobicContact CG2-CE1 3.87Å; I37-F61 HydrophobicContact CD1-CB 4.07Å; I37-F61 HydrophobicContact CD1-CD1 4.27Å; I37-F61 HydrophobicContact CD1-CG 4.07Å; I37-F61 HydrophobicContact CG2-CD1 3.67Å; I37-F61 HydrophobicContact CG2-CE1 3.54Å; I37-F61 HydrophobicContact CG2-CG 4.42Å; I37-F61 HydrophobicContact CG2-CZ 4.21Å; R50-F61 HydrophobicContact CB-CB 4.13Å; R50-F61 HydrophobicContact CB-CD1 4.19Å; R50-F61 HydrophobicContact CG-CB 4.35Å; H51-F61 CarbonylContact O-C 3.6Å; H51-F61 WeakPolarHBondContact O-CA 3.22Å; A52-F61 HydrophobicContact CB-CD1 4.02Å; A52-F61 HydrophobicContact CB-CE1 3.9Å; L59-F61 HydrophobicContact CD1-CZ 4.36Å; L59-F61 HydrophobicContact CD2-CE2 3.87Å; L59-F61 HydrophobicContact CD2-CZ 3.66Å; L59-F61 HydrophobicContact CG-CE2 3.75Å; L59-F61 HydrophobicContact CG-CZ 3.78Å; F61-P74 CarbonylContact O-C 3.48Å; F61-V75 WeakPolarHBondContact O-CB 3.15Å; F61-V75 PolarHBondContact O-N 3.18Å; F61-K76 HydrophobicContact CB-CB 4.37Å; F61-K76 HydrophobicContact CD2-CB 4.15Å; F61-K76 WeakPolarHBondContact CD2-O 3.39Å; F61-K76 PolarHBondContact N-O 3.33Å; F61-M119 HydrophobicContact CD2-SD 4.2Å; F61-M119 HydrophobicContact CE1-SD 4.39Å; F61-M119 HydrophobicContact CE2-CE 3.72Å; F61-M119 HydrophobicContact CE2-SD 3.28Å; F61-M119 WeakPolarHBondContact CE2-SD 3.13Å; F61-M119 HydrophobicContact CZ-CE 3.49Å; F61-M119 VanDerWaalsContact CZ-CE 3.49Å; F61-M119 HydrophobicContact CZ-SD 3.39Å; F61-M119 WeakPolarHBondContact CZ-SD 3.1Å; F61-W132 AromaticContact CE1-CH2 3.78Å; F61-W132 HydrophobicContact CE1-CH2 3.78Å; F61-W132 HydrophobicContact CE1-CZ2 4.33Å; F61-W132 AromaticContact CZ-CH2 3.83Å; F61-W132 HydrophobicContact CZ-CH2 3.83Å |
| 62 | Y | 84.3 | Confident | 69.1 | Low | 42 Ų | 42 | 56.2 Ų | 56.2 | 17% | 0.165 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 148.4 | -177.1 | -59.3 | -91.2 | 0 | 0 | 0 | 111.3 | W31 R50 H51 K53 F64 L72 P74 | W31-Y62 HydrophobicContact CH2-CD2 4.02Å; W31-Y62 HydrophobicContact CH2-CE2 4.48Å; W31-Y62 HydrophobicContact CZ3-CD2 4.09Å; R50-Y62 CarbonylContact C-O 3.58Å; R50-Y62 VanDerWaalsContact CA-O 3.23Å; R50-Y62 WeakPolarHBondContact CA-O 3.23Å; R50-Y62 WeakPolarHBondContact CB-O 3.43Å; R50-Y62 WeakPolarHBondContact CD-O 3.19Å; H51-Y62 PolarHBondContact N-O 2.82Å; H51-Y62 PolarHBondContact O-N 3.09Å; K53-Y62 HydrophobicContact CB-CD2 4.4Å; K53-Y62 HydrophobicContact CB-CE2 3.85Å; K53-Y62 HydrophobicContact CD-CE2 4.48Å; Y62-F64 VanDerWaalsContact C-N 3.32Å; Y62-F64 WeakPolarHBondContact CB-O 3.15Å; Y62-L72 WeakPolarHBondContact CD1-O 3.45Å; Y62-L72 VanDerWaalsContact CE1-O 3.23Å; Y62-L72 WeakPolarHBondContact CE1-O 3.43Å; Y62-P74 HydrophobicContact CD1-CB 4.39Å; Y62-P74 HydrophobicContact CE1-CB 3.99Å |
| 63 | K | 79.9 | Confident | 68.4 | Low | 108 Ų | 108 | 59.7 Ų | 59.7 | 47% | 0.47 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -66.6 | -37.1 | 174.9 | -175.4 | 176.6 | 173.5 | -171.1 | 0 | 111.4 | V75 | K63-V75 HydrophobicContact CB-CG2 4.17Š|
| 64 | F | 70.7 | Confident | 68.2 | Low | 52 Ų | 52 | 60.4 Ų | 60.4 | 23% | 0.228 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -122.2 | 152 | -177 | -57.2 | -71.5 | 0 | 0 | 0 | 111 | H51 Y62 T66 L72 A363 | H51-F64 VanDerWaalsContact CD2-C 3.43Å; Y62-F64 VanDerWaalsContact C-N 3.32Å; Y62-F64 WeakPolarHBondContact CB-O 3.15Å; F64-T66 HydrophobicContact CB-CG2 3.97Å; F64-T66 PolarHBondContact O-N 2.76Å; F64-L72 HydrophobicContact CD2-CD1 4.07Å; F64-A363 HydrophobicContact CE2-CB 4.33Å; F64-A363 HydrophobicContact CZ-CB 4.47Å |
| 65 | K | 63.4 | Low | 68.1 | Low | 129 Ų | 129 | 63.8 Ų | 63.8 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | trans | -83.1 | 91.8 | 165.5 | -159.8 | -172.9 | 173.7 | -162.8 | 0 | 106.1 | H51 | H51-K65 PolarHBondContact CD2-N 3.33Å; H51-K65 VanDerWaalsContact CE1-CB 3.48Å; H51-K65 WeakPolarHBondContact CE1-CB 3.3Å; H51-K65 WeakPolarHBondContact ND1-CB 3.4Å | ||
| 66 | T | 51.7 | Low | 68.4 | Low | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | trans | -128.4 | 100.1 | 177.1 | 44 | 0 | 0 | 0 | 0 | 107.2 | F64 V68 I69 I364 | F64-T66 HydrophobicContact CB-CG2 3.97Å; F64-T66 PolarHBondContact O-N 2.76Å; T66-V68 PolarHBondContact O-N 2.79Å; T66-V68 VanDerWaalsContact O-N 3.15Å; T66-I69 HydrophobicContact CG2-CD1 3.87Å; T66-I69 HydrophobicContact CG2-CG1 4.06Å; T66-I364 HydrophobicContact CG2-CD1 4.45Å | ||
| 67 | D | 51.8 | Low | 69 | Low | 81 Ų | 81 | 62.9 Ų | 62.9 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -3.2 | 154.5 | -52.6 | -47.3 | 0 | 0 | 0 | 110.6 | W31 | W31-D67 PolarHBondContact NE1-OD1 2.86Š|
| 68 | V | 43 | Very low | 69.5 | Low | 88 Ų | 88 | 62.2 Ų | 62.2 | 53% | 0.533 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -12.7 | -170.8 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | T66 | T66-V68 PolarHBondContact O-N 2.79Å; T66-V68 VanDerWaalsContact O-N 3.15Å |
| 69 | I | 43.3 | Very low | 69.5 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | trans | -129.8 | 88.6 | -178.2 | -42 | 170 | 0 | 0 | 0 | 109.2 | T66 D71 L72 I364 F369 | T66-I69 HydrophobicContact CG2-CD1 3.87Å; T66-I69 HydrophobicContact CG2-CG1 4.06Å; I69-D71 PolarHBondContact O-N 2.97Å; I69-L72 HydrophobicContact CB-CD1 3.99Å; I69-L72 HydrophobicContact CB-CG 4.03Å; I69-L72 HydrophobicContact CD1-CD1 3.69Å; I69-L72 HydrophobicContact CD1-CG 4.38Å; I69-L72 HydrophobicContact CG1-CD1 4.44Å; I69-L72 HydrophobicContact CG2-CB 4.42Å; I69-L72 HydrophobicContact CG2-CD1 4.09Å; I69-L72 HydrophobicContact CG2-CG 3.63Å; I69-I364 HydrophobicContact CD1-CD1 4.29Å; I69-I364 HydrophobicContact CD1-CG1 3.89Å; I69-F369 HydrophobicContact CG2-CD1 4.24Å; I69-F369 HydrophobicContact CG2-CE1 4.03Å | ||
| 70 | W | 46.4 | Very low | 68.9 | Low | 218 Ų | 218 | 63.5 Ų | 63.5 | 83% | 0.826 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.8 | 175.1 | -64.2 | 88.9 | 0 | 0 | 0 | 112.3 | ||
| 71 | D | 48 | Very low | 68 | Low | 108 Ų | 108 | 67.6 Ų | 67.6 | 58% | 0.578 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 3.7 | -173 | -56.6 | -32 | 0 | 0 | 0 | 114.5 | I69 A73 | I69-D71 PolarHBondContact O-N 2.97Å; D71-A73 PolarHBondContact O-N 3.07Å; D71-A73 VanDerWaalsContact O-N 3.17Å |
| 72 | L | 62.3 | Low | 67.2 | Low | 52 Ų | 52 | 72.5 Ų | 72.5 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | trans | -81.2 | 104.7 | 174.9 | -75.8 | 176.8 | 0 | 0 | 0 | 110.3 | Y62 F64 I69 | Y62-L72 WeakPolarHBondContact CD1-O 3.45Å; Y62-L72 VanDerWaalsContact CE1-O 3.23Å; Y62-L72 WeakPolarHBondContact CE1-O 3.43Å; F64-L72 HydrophobicContact CD2-CD1 4.07Å; I69-L72 HydrophobicContact CB-CD1 3.99Å; I69-L72 HydrophobicContact CB-CG 4.03Å; I69-L72 HydrophobicContact CD1-CD1 3.69Å; I69-L72 HydrophobicContact CD1-CG 4.38Å; I69-L72 HydrophobicContact CG1-CD1 4.44Å; I69-L72 HydrophobicContact CG2-CB 4.42Å; I69-L72 HydrophobicContact CG2-CD1 4.09Å; I69-L72 HydrophobicContact CG2-CG 3.63Å | ||
| 73 | A | 70.1 | Confident | 66.4 | Low | 74 Ų | 74 | 70.9 Ų | 70.9 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | trans | -49.4 | 132.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D71 V75 | D71-A73 PolarHBondContact O-N 3.07Å; D71-A73 VanDerWaalsContact O-N 3.17Å; A73-V75 PolarHBondContact O-N 2.83Å | ||
| 74 | P | 79.3 | Confident | 65.8 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | trans | -62.4 | 135 | 177.6 | 25.9 | -33.2 | 0 | 0 | 0 | 109.8 | F61 Y62 K76 T77 | F61-P74 CarbonylContact O-C 3.48Å; Y62-P74 HydrophobicContact CD1-CB 4.39Å; Y62-P74 HydrophobicContact CE1-CB 3.99Å; P74-K76 PolarHBondContact O-N 3.09Å; P74-T77 WeakPolarHBondContact CB-OG1 3.2Å; P74-T77 WeakPolarHBondContact CG-OG1 3.43Å | ||
| 75 | V | 80.3 | Confident | 65.5 | Low | 71 Ų | 71 | 69.9 Ų | 69.9 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -60.6 | -30.1 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | F61 K63 A73 | F61-V75 WeakPolarHBondContact O-CB 3.15Å; F61-V75 PolarHBondContact O-N 3.18Å; K63-V75 HydrophobicContact CB-CG2 4.17Å; A73-V75 PolarHBondContact O-N 2.83Å |
| 76 | K | 83.1 | Confident | 65.8 | Low | 50 Ų | 50 | 65.3 Ų | 65.3 | 22% | 0.217 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 138.9 | 175.8 | -166.4 | 169.5 | -175 | 177.6 | 0 | 109.1 | F61 P74 Y113 M119 | F61-K76 HydrophobicContact CB-CB 4.37Å; F61-K76 HydrophobicContact CD2-CB 4.15Å; F61-K76 WeakPolarHBondContact CD2-O 3.39Å; F61-K76 PolarHBondContact N-O 3.33Å; P74-K76 PolarHBondContact O-N 3.09Å; K76-Y113 WeakPolarHBondContact CE-OH 3.38Å; K76-Y113 PolarHBondContact NZ-OH 3.43Å; K76-M119 HydrophobicContact CD-SD 4.5Å |
| 77 | T | 84 | Confident | 66.4 | Low | 54 Ų | 54 | 67.1 Ų | 67.1 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.4 | 172 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | K58 L59 S60 P74 | K58-T77 HydrophobicContact CB-CG2 3.83Å; K58-T77 HydrophobicContact CD-CG2 4.34Å; K58-T77 HydrophobicContact CG-CG2 4.3Å; L59-T77 CarbonylContact O-C 3.57Å; L59-T77 WeakPolarHBondContact O-CA 3.26Å; S60-T77 WeakPolarHBondContact OG-CG2 3.3Å; S60-T77 PolarHBondContact OG-OG1 3.08Å; S60-T77 VanDerWaalsContact OG-OG1 3.09Å; P74-T77 WeakPolarHBondContact CB-OG1 3.2Å; P74-T77 WeakPolarHBondContact CG-OG1 3.43Å |
| 78 | I | 82.4 | Confident | 67.1 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.6 | 175.5 | -61 | 178.1 | 0 | 0 | 0 | 107.5 | L59 A80 V83 Y113 M119 | L59-I78 WeakPolarHBondContact CB-O 3.28Å; L59-I78 PolarHBondContact N-O 3.34Å; L59-I78 PolarHBondContact O-N 3.45Å; I78-A80 PolarHBondContact O-N 3.46Å; I78-V83 HydrophobicContact CG2-CG2 3.96Å; I78-Y113 HydrophobicContact CD1-CD1 3.83Å; I78-Y113 HydrophobicContact CD1-CD2 4.21Å; I78-Y113 HydrophobicContact CD1-CE1 3.69Å; I78-Y113 HydrophobicContact CD1-CE2 4.07Å; I78-Y113 HydrophobicContact CD1-CG 4.1Å; I78-Y113 HydrophobicContact CG1-CD2 4.21Å; I78-Y113 HydrophobicContact CG1-CE2 4.04Å; I78-Y113 HydrophobicContact CG2-CD2 3.92Å; I78-Y113 HydrophobicContact CG2-CG 3.93Å; I78-M119 HydrophobicContact CD1-CB 3.87Å; I78-M119 HydrophobicContact CD1-CE 3.45Å; I78-M119 VanDerWaalsContact CD1-CE 3.45Å; I78-M119 HydrophobicContact CD1-CG 4.2Å; I78-M119 HydrophobicContact CD1-SD 3.3Å; I78-M119 WeakPolarHBondContact CD1-SD 3.35Å; I78-M119 HydrophobicContact CG1-SD 4.46Å |
| 79 | Y | 78 | Confident | 68.2 | Low | 104 Ų | 104 | 62.3 Ų | 62.3 | 41% | 0.408 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123 | 169.6 | -69.3 | -90.3 | 0 | 0 | 0 | 108.5 | K58 S81 K82 | K58-Y79 HydrophobicContact CD-CE1 4.16Å; K58-Y79 HydrophobicContact CG-CD1 3.92Å; K58-Y79 HydrophobicContact CG-CE1 3.79Å; Y79-S81 PolarHBondContact O-N 3.34Å; Y79-K82 HydrophobicContact CD2-CD 4.32Å; Y79-K82 PolarHBondContact O-N 3.39Å |
| 80 | A | 71.7 | Confident | 68.9 | Low | 2 Ų | 2 | 62.6 Ų | 62.6 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -51.7 | -48.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109 | M19 I22 G57 I78 K82 V83 F136 | M19-A80 HydrophobicContact CE-CB 3.72Å; M19-A80 WeakPolarHBondContact CE-O 3.31Å; I22-A80 HydrophobicContact CD1-CB 4.07Å; I22-A80 HydrophobicContact CG2-CB 3.7Å; G57-A80 VanDerWaalsContact O-CB 3.23Å; G57-A80 WeakPolarHBondContact O-CB 3.49Å; G57-A80 PolarHBondContact O-N 3.44Å; I78-A80 PolarHBondContact O-N 3.46Å; A80-K82 PolarHBondContact O-N 3.34Å; A80-V83 VanDerWaalsContact O-CB 3.25Å; A80-V83 WeakPolarHBondContact O-CB 3.46Å; A80-V83 WeakPolarHBondContact O-CG2 3.3Å; A80-V83 PolarHBondContact O-N 3.17Å; A80-F136 HydrophobicContact CB-CE1 4.48Å |
| 81 | S | 67.6 | Low | 69.6 | Low | 90 Ų | 90 | 54.1 Ų | 54.1 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -52.1 | -19.9 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 115.9 | Y79 | Y79-S81 PolarHBondContact O-N 3.34Š|
| 82 | K | 69.6 | Low | 69.9 | Low | 104 Ų | 104 | 55.5 Ų | 55.5 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -94.3 | -1.8 | 177.3 | -60.7 | -171.9 | -173.4 | -178.8 | 0 | 113.7 | Y79 A80 Y113 N114 | Y79-K82 HydrophobicContact CD2-CD 4.32Å; Y79-K82 PolarHBondContact O-N 3.39Å; A80-K82 PolarHBondContact O-N 3.34Å; K82-Y113 WeakPolarHBondContact O-CA 3.16Å; K82-N114 WeakPolarHBondContact CB-OD1 3.06Å; K82-N114 WeakPolarHBondContact CD-OD1 3.38Å; K82-N114 PolarHBondContact O-N 2.8Å |
| 83 | V | 69 | Low | 69.3 | Low | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | L17 M19 I78 A80 I86 F111 C112 | L17-V83 HydrophobicContact CD1-CG1 4.02Å; M19-V83 HydrophobicContact CE-CB 4.36Å; I78-V83 HydrophobicContact CG2-CG2 3.96Å; A80-V83 VanDerWaalsContact O-CB 3.25Å; A80-V83 WeakPolarHBondContact O-CB 3.46Å; A80-V83 WeakPolarHBondContact O-CG2 3.3Å; A80-V83 PolarHBondContact O-N 3.17Å; V83-I86 HydrophobicContact CG1-CG1 4.23Å; V83-F111 HydrophobicContact CG1-CD1 4.05Å; V83-C112 WeakPolarHBondContact CA-O 3.25Å |
| 84 | F | 67.3 | Low | 68.1 | Low | 119 Ų | 119 | 60.8 Ų | 60.8 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -4.1 | -177 | 63.2 | -90.4 | 0 | 0 | 0 | 113.2 | C112 R115 | F84-C112 HydrophobicContact CD1-CB 4.3Å; F84-C112 WeakPolarHBondContact CD1-O 3.27Å; F84-C112 HydrophobicContact CD2-CB 4.12Å; F84-C112 HydrophobicContact CE1-CB 3.78Å; F84-C112 WeakPolarHBondContact CE1-O 3.37Å; F84-C112 HydrophobicContact CE2-CB 3.59Å; F84-C112 HydrophobicContact CG-CB 4.46Å; F84-C112 HydrophobicContact CZ-CB 3.43Å; F84-C112 VanDerWaalsContact CZ-CB 3.43Å; F84-C112 PolarHBondContact N-O 3.17Å; F84-R115 VanDerWaalsContact CE1-CA 3.4Å; F84-R115 VanDerWaalsContact CE1-N 3.35Å; F84-R115 WeakPolarHBondContact CZ-O 3.42Å |
| 85 | G | 62.6 | Low | 66.3 | Low | 20 Ų | 20 | 64.1 Ų | 64.1 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 149.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C112 | G85-C112 PolarHBondContact O-N 3.39Å |
| 86 | I | 69.6 | Low | 64.4 | Low | 34 Ų | 34 | 63.1 Ų | 63.1 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 120.6 | 173.3 | -58.8 | 176 | 0 | 0 | 0 | 107 | L17 V83 L109 D110 F111 F136 | L17-I86 HydrophobicContact CD1-CG1 4.27Å; L17-I86 HydrophobicContact CD2-CD1 3.66Å; L17-I86 HydrophobicContact CD2-CG1 4.05Å; V83-I86 HydrophobicContact CG1-CG1 4.23Å; I86-L109 HydrophobicContact CG2-CB 4.21Å; I86-L109 HydrophobicContact CG2-CD1 4.38Å; I86-L109 HydrophobicContact CG2-CD2 4.05Å; I86-L109 HydrophobicContact CG2-CG 4.45Å; I86-D110 WeakPolarHBondContact CA-O 3.33Å; I86-F111 HydrophobicContact CD1-CD1 3.98Å; I86-F111 HydrophobicContact CD1-CE1 3.44Å; I86-F111 VanDerWaalsContact CD1-CE1 3.44Å; I86-F111 HydrophobicContact CD1-CZ 4.08Å; I86-F111 HydrophobicContact CG1-CD1 3.83Å; I86-F111 HydrophobicContact CG1-CE1 3.78Å; I86-F111 HydrophobicContact CG1-CZ 4.45Å; I86-F111 HydrophobicContact CG2-CZ 4.39Å; I86-F136 HydrophobicContact CD1-CB 3.51Å; I86-F136 HydrophobicContact CD1-CD1 4.3Å; I86-F136 HydrophobicContact CD1-CD2 4.44Å; I86-F136 HydrophobicContact CD1-CG 3.84Å |
| 87 | T | 66 | Low | 62.2 | Low | 61 Ų | 61 | 64.8 Ų | 64.8 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.9 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | H89 L109 D110 | T87-H89 PolarHBondContact OG1-NE2 3.07Å; T87-L109 WeakPolarHBondContact O-CA 3.47Å; T87-D110 PolarHBondContact N-O 2.76Å; T87-D110 PolarHBondContact O-N 2.75Å; T87-D110 VanDerWaalsContact OG1-CB 3.28Å; T87-D110 WeakPolarHBondContact OG1-CB 3.49Å |
| 88 | F | 66.2 | Low | 60.3 | Low | 21 Ų | 21 | 72.5 Ų | 72.5 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131 | 178.8 | -164.1 | -71.4 | 0 | 0 | 0 | 110.6 | V107 L109 P147 | F88-V107 HydrophobicContact CD2-CG1 4.36Å; F88-V107 HydrophobicContact CE1-CB 4.38Å; F88-V107 HydrophobicContact CE1-CG1 3.79Å; F88-V107 HydrophobicContact CE1-CG2 4.1Å; F88-V107 HydrophobicContact CE2-CG1 3.39Å; F88-V107 HydrophobicContact CZ-CB 3.9Å; F88-V107 HydrophobicContact CZ-CG1 3.07Å; F88-V107 HydrophobicContact CZ-CG2 3.64Å; F88-L109 HydrophobicContact CB-CD2 4.18Å; F88-L109 HydrophobicContact CD2-CD2 3.45Å; F88-L109 VanDerWaalsContact CD2-CD2 3.45Å; F88-L109 HydrophobicContact CE2-CD2 4.19Å; F88-L109 HydrophobicContact CG-CD2 4.1Å; F88-P147 HydrophobicContact CD1-CG 3.59Å; F88-P147 HydrophobicContact CE1-CB 4.43Å; F88-P147 HydrophobicContact CE1-CG 3.04Å; F88-P147 HydrophobicContact CE2-CG 4.5Å; F88-P147 VanDerWaalsContact CZ-CD 3.48Å; F88-P147 HydrophobicContact CZ-CG 3.52Å |
| 89 | H | 65.3 | Low | 58.2 | Low | 48 Ų | 48 | 79.9 Ų | 79.9 | 22% | 0.222 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.8 | 175.4 | -61.4 | -69.5 | 0 | 0 | 0 | 110.7 | T87 Q108 D110 | T87-H89 PolarHBondContact OG1-NE2 3.07Å; H89-Q108 HydrophobicContact CB-CB 4.15Å; H89-Q108 PolarHBondContact N-O 3.4Å; H89-Q108 PolarHBondContact O-N 3.44Å; H89-D110 IonicContact CD2-OD1 3.8Å; H89-D110 IonicContact CD2-OD2 3.18Å; H89-D110 PolarHBondContact CD2-OD2 3.2Å; H89-D110 IonicContact NE2-OD2 3.29Å; H89-D110 PolarHBondContact NE2-OD2 3.48Å |
| 90 | S | 59.2 | Low | 56.1 | Low | 27 Ų | 27 | 78.4 Ų | 78.4 | 19% | 0.189 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.3 | 163.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | M102 | S90-M102 VanDerWaalsContact OG-CE 3.28Å; S90-M102 WeakPolarHBondContact OG-CE 3.41Å |
| 91 | V | 59.3 | Low | 54.6 | Low | 39 Ų | 39 | 84.2 Ų | 84.2 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | trans | -85.8 | 125.2 | 179.4 | -171.8 | 0 | 0 | 0 | 0 | 109 | G93 C106 Q108 | V91-G93 PolarHBondContact O-N 3.25Å; V91-C106 PolarHBondContact N-O 3.23Å; V91-C106 WeakPolarHBondContact O-CB 3.42Å; V91-Q108 HydrophobicContact CG2-CB 3.82Å | ||
| 92 | K | 54.2 | Low | 53.6 | Low | 137 Ų | 137 | 82.3 Ų | 82.3 | 60% | 0.596 | 44% | 0.442 | S | S | * | . | trans | -58.9 | 108.5 | 170.8 | -62.5 | -167 | 177.9 | 178.7 | 0 | 108.8 | ||||
| 93 | G | 51.3 | Low | 53 | Low | 31 Ų | 31 | 80 Ų | 80 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | trans | -61.2 | 142.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V91 S95 | V91-G93 PolarHBondContact O-N 3.25Å; G93-S95 PolarHBondContact O-N 3.46Å | ||
| 94 | K | 44.9 | Very low | 52.7 | Low | 207 Ų | 207 | 81.2 Ų | 81.2 | 90% | 0.9 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 123.5 | 158.1 | -69 | -176.4 | 178.2 | -176.7 | 0 | 105.3 | ||
| 95 | S | 41.7 | Very low | 52.4 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 81% | 0.811 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 69.9 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 116.1 | G93 | G93-S95 PolarHBondContact O-N 3.46Š|
| 96 | T | 40.4 | Very low | 52.3 | Low | 51 Ų | 51 | 78.7 Ų | 78.7 | 31% | 0.313 | 43% | 0.429 | S | S | . | . | trans | -80.6 | 122.5 | 149.5 | 43.4 | 0 | 0 | 0 | 0 | 107.6 | K98 M102 P103 | T96-K98 PolarHBondContact O-N 2.97Å; T96-M102 HydrophobicContact CG2-CG 4.47Å; T96-P103 HydrophobicContact CG2-CG 4.48Å | ||
| 97 | P | 35.5 | Very low | 52.1 | Low | 84 Ų | 84 | 77.3 Ų | 77.3 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | trans | -51.5 | 141 | 173.8 | -21.7 | 30.3 | 0 | 0 | 0 | 109.7 | N99 C100 | P97-N99 PolarHBondContact O-N 3.44Å; P97-C100 HydrophobicContact CB-CB 4.31Å; P97-C100 HydrophobicContact CG-CB 4.33Å; P97-C100 PolarHBondContact O-N 3.19Å | ||
| 98 | K | 43.8 | Very low | 52.5 | Low | 217 Ų | 217 | 75.4 Ų | 75.4 | 94% | 0.943 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -14.8 | -174.1 | -76.8 | -179.8 | 176.5 | 177.3 | 0 | 114.3 | T96 | T96-K98 PolarHBondContact O-N 2.97Š|
| 99 | N | 39.5 | Very low | 53 | Low | 159 Ų | 159 | 74.5 Ų | 74.5 | 85% | 0.85 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 12.6 | -177.7 | -66 | -10.1 | 0 | 0 | 0 | 114.5 | P97 | P97-N99 PolarHBondContact O-N 3.44Š|
| 100 | C | 32.7 | Very low | 53.6 | Low | 73 Ų | 73 | 72.8 Ų | 72.8 | 49% | 0.493 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -102.5 | 124.4 | 178.3 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | P97 M102 | P97-C100 HydrophobicContact CB-CB 4.31Å; P97-C100 HydrophobicContact CG-CB 4.33Å; P97-C100 PolarHBondContact O-N 3.19Å; C100-M102 PolarHBondContact O-N 2.94Å |
| 101 | V | 42.1 | Very low | 54.4 | Low | 123 Ų | 123 | 71.5 Ų | 71.5 | 75% | 0.745 | 39% | 0.389 | S | S | * | . | trans | -45.9 | 107.7 | 166.1 | 171 | 0 | 0 | 0 | 0 | 109.1 | P103 | V101-P103 VanDerWaalsContact O-N 3.15Š| ||
| 102 | M | 46.3 | Very low | 55 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | trans | -45 | 119.7 | -172.4 | -92.6 | -174.3 | 69.8 | 0 | 0 | 111.3 | S90 T96 C100 W104 C106 K146 | S90-M102 VanDerWaalsContact OG-CE 3.28Å; S90-M102 WeakPolarHBondContact OG-CE 3.41Å; T96-M102 HydrophobicContact CG2-CG 4.47Å; C100-M102 PolarHBondContact O-N 2.94Å; M102-W104 PolarHBondContact O-N 2.98Å; M102-C106 HydrophobicContact CE-CB 3.21Å; M102-K146 HydrophobicContact CB-CD 4.31Å; M102-K146 WeakPolarHBondContact O-CD 3.18Å; M102-K146 WeakPolarHBondContact O-CE 3.48Å; M102-K146 PolarHBondContact O-NZ 2.9Å | ||
| 103 | P | 56 | Low | 55.9 | Low | 56 Ų | 56 | 65.2 Ų | 65.2 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -59.4 | 143.2 | -178.2 | 20.6 | -28 | 0 | 0 | 0 | 110.6 | T96 V101 N105 C106 | T96-P103 HydrophobicContact CG2-CG 4.48Å; V101-P103 VanDerWaalsContact O-N 3.15Å; P103-N105 VanDerWaalsContact C-OD1 3.32Å; P103-N105 WeakPolarHBondContact CB-OD1 3.25Å; P103-N105 WeakPolarHBondContact CG-OD1 3.12Å; P103-N105 PolarHBondContact O-N 3.08Å; P103-N105 PolarHBondContact O-OD1 2.79Å; P103-N105 VanDerWaalsContact O-OD1 3.1Å; P103-C106 WeakPolarHBondContact O-CB 3.3Å; P103-C106 PolarHBondContact O-N 3.44Å | ||
| 104 | W | 63.1 | Low | 56.8 | Low | 33 Ų | 33 | 67.3 Ų | 67.3 | 13% | 0.125 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -60.5 | -18.9 | -176 | -81 | 95.9 | 0 | 0 | 0 | 112.8 | M102 C106 V107 F123 L126 V129 V143 K146 | M102-W104 PolarHBondContact O-N 2.98Å; W104-C106 PolarHBondContact O-N 2.85Å; W104-V107 HydrophobicContact CD2-CG2 4.48Å; W104-V107 HydrophobicContact CE3-CB 3.91Å; W104-V107 HydrophobicContact CE3-CG1 4.19Å; W104-V107 HydrophobicContact CE3-CG2 3.63Å; W104-V107 HydrophobicContact CZ3-CB 4.3Å; W104-V107 HydrophobicContact CZ3-CG1 4.21Å; W104-V107 HydrophobicContact CZ3-CG2 3.82Å; W104-V107 WeakPolarHBondContact O-CB 3.23Å; W104-V107 PolarHBondContact O-N 3.46Å; W104-F123 CarbonylContact C-O 3.59Å; W104-F123 WeakPolarHBondContact CB-O 3.34Å; W104-L126 HydrophobicContact CD2-CB 4.01Å; W104-L126 HydrophobicContact CH2-CB 4.25Å; W104-L126 HydrophobicContact CH2-CD1 3.09Å; W104-L126 HydrophobicContact CH2-CG 4.09Å; W104-L126 HydrophobicContact CZ2-CB 3.55Å; W104-L126 HydrophobicContact CZ2-CD1 3.15Å; W104-L126 HydrophobicContact CZ2-CD2 3.83Å; W104-L126 HydrophobicContact CZ2-CG 3.63Å; W104-L126 HydrophobicContact CZ3-CD1 3.82Å; W104-V129 HydrophobicContact CE3-CG2 3.75Å; W104-V129 HydrophobicContact CZ3-CB 4.3Å; W104-V129 HydrophobicContact CZ3-CG1 4.43Å; W104-V129 HydrophobicContact CZ3-CG2 3.84Å; W104-V143 HydrophobicContact CH2-CG1 4.21Å; W104-K146 HydrophobicContact CH2-CG 3.76Å; W104-K146 HydrophobicContact CZ2-CD 4.34Å; W104-K146 HydrophobicContact CZ2-CG 3.55Å; W104-K146 HydrophobicContact CZ3-CG 4.37Å |
| 105 | N | 60.8 | Low | 57.8 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -59.2 | -11.6 | 169.5 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | P103 R122 F123 | P103-N105 VanDerWaalsContact C-OD1 3.32Å; P103-N105 WeakPolarHBondContact CB-OD1 3.25Å; P103-N105 WeakPolarHBondContact CG-OD1 3.12Å; P103-N105 PolarHBondContact O-N 3.08Å; P103-N105 PolarHBondContact O-OD1 2.79Å; P103-N105 VanDerWaalsContact O-OD1 3.1Å; N105-R122 WeakPolarHBondContact O-CD 3.38Å; N105-F123 WeakPolarHBondContact CA-O 3.21Å; N105-F123 PolarHBondContact N-O 3.12Å; N105-F123 VanDerWaalsContact N-O 3.11Å |
| 106 | C | 60.8 | Low | 59.4 | Low | 9 Ų | 9 | 72 Ų | 72 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -90.6 | -9.4 | 171.3 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | V91 M102 P103 W104 | V91-C106 PolarHBondContact N-O 3.23Å; V91-C106 WeakPolarHBondContact O-CB 3.42Å; M102-C106 HydrophobicContact CE-CB 3.21Å; P103-C106 WeakPolarHBondContact O-CB 3.3Å; P103-C106 PolarHBondContact O-N 3.44Å; W104-C106 PolarHBondContact O-N 2.85Å |
| 107 | V | 65.3 | Low | 61.2 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.024 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.8 | 174.4 | 167.3 | 0 | 0 | 0 | 0 | 109.2 | F88 W104 R122 F123 V129 | F88-V107 HydrophobicContact CD2-CG1 4.36Å; F88-V107 HydrophobicContact CE1-CB 4.38Å; F88-V107 HydrophobicContact CE1-CG1 3.79Å; F88-V107 HydrophobicContact CE1-CG2 4.1Å; F88-V107 HydrophobicContact CE2-CG1 3.39Å; F88-V107 HydrophobicContact CZ-CB 3.9Å; F88-V107 HydrophobicContact CZ-CG1 3.07Å; F88-V107 HydrophobicContact CZ-CG2 3.64Å; W104-V107 HydrophobicContact CD2-CG2 4.48Å; W104-V107 HydrophobicContact CE3-CB 3.91Å; W104-V107 HydrophobicContact CE3-CG1 4.19Å; W104-V107 HydrophobicContact CE3-CG2 3.63Å; W104-V107 HydrophobicContact CZ3-CB 4.3Å; W104-V107 HydrophobicContact CZ3-CG1 4.21Å; W104-V107 HydrophobicContact CZ3-CG2 3.82Å; W104-V107 WeakPolarHBondContact O-CB 3.23Å; W104-V107 PolarHBondContact O-N 3.46Å; V107-R122 VanDerWaalsContact O-CA 3.3Å; V107-R122 WeakPolarHBondContact O-CA 3.46Å; V107-R122 WeakPolarHBondContact O-CG 3.47Å; V107-F123 HydrophobicContact CG1-CD2 4.46Å; V107-F123 PolarHBondContact O-N 2.83Å; V107-V129 HydrophobicContact CG1-CG2 4.4Å |
| 108 | Q | 74.9 | Confident | 63.2 | Low | 21 Ų | 21 | 75.3 Ų | 75.3 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.7 | -179.8 | 176.3 | -177.1 | -56.2 | 0 | 0 | 109.4 | W47 H89 V91 D110 H120 V121 R122 | W47-Q108 HydrophobicContact CH2-CG 4.1Å; H89-Q108 HydrophobicContact CB-CB 4.15Å; H89-Q108 PolarHBondContact N-O 3.4Å; H89-Q108 PolarHBondContact O-N 3.44Å; V91-Q108 HydrophobicContact CG2-CB 3.82Å; Q108-D110 VanDerWaalsContact CG-OD1 3.25Å; Q108-D110 WeakPolarHBondContact CG-OD1 3.34Å; Q108-D110 PolarHBondContact NE2-OD1 2.79Å; Q108-D110 PolarHBondContact NE2-OD2 2.9Å; Q108-H120 HydrophobicContact CG-CB 4.21Å; Q108-H120 PolarHBondContact NE2-ND1 2.91Å; Q108-H120 VanDerWaalsContact NE2-ND1 3.15Å; Q108-V121 CarbonylContact C-O 3.54Å; Q108-V121 VanDerWaalsContact CA-O 3.27Å; Q108-V121 WeakPolarHBondContact CA-O 3.43Å; Q108-R122 HydrophobicContact CB-CG 3.88Å; Q108-R122 HydrophobicContact CG-CG 4.29Å |
| 109 | L | 76.7 | Confident | 65.1 | Low | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.4 | 165.1 | -65.5 | -178.5 | 0 | 0 | 0 | 109.2 | I86 T87 F88 F111 V121 F123 M133 | I86-L109 HydrophobicContact CG2-CB 4.21Å; I86-L109 HydrophobicContact CG2-CD1 4.38Å; I86-L109 HydrophobicContact CG2-CD2 4.05Å; I86-L109 HydrophobicContact CG2-CG 4.45Å; T87-L109 WeakPolarHBondContact O-CA 3.47Å; F88-L109 HydrophobicContact CB-CD2 4.18Å; F88-L109 HydrophobicContact CD2-CD2 3.45Å; F88-L109 VanDerWaalsContact CD2-CD2 3.45Å; F88-L109 HydrophobicContact CE2-CD2 4.19Å; F88-L109 HydrophobicContact CG-CD2 4.1Å; L109-F111 HydrophobicContact CB-CD2 4.35Å; L109-F111 HydrophobicContact CB-CE2 3.71Å; L109-F111 HydrophobicContact CB-CZ 4.4Å; L109-F111 HydrophobicContact CD1-CE2 4.36Å; L109-F111 HydrophobicContact CD1-CZ 4.32Å; L109-V121 PolarHBondContact N-O 2.84Å; L109-V121 PolarHBondContact O-N 2.88Å; L109-F123 HydrophobicContact CB-CE2 3.8Å; L109-F123 HydrophobicContact CB-CZ 4.36Å; L109-F123 HydrophobicContact CD1-CE2 3.47Å; L109-F123 VanDerWaalsContact CD1-CE2 3.47Å; L109-F123 HydrophobicContact CD1-CZ 3.54Å; L109-F123 HydrophobicContact CG-CD2 4.38Å; L109-F123 HydrophobicContact CG-CE2 3.48Å; L109-F123 VanDerWaalsContact CG-CE2 3.48Å; L109-F123 HydrophobicContact CG-CZ 4.09Å; L109-M133 HydrophobicContact CD1-SD 4.24Å |
| 110 | D | 77.2 | Confident | 67.3 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.8 | 177.3 | -79.4 | 9.3 | 0 | 0 | 0 | 108.5 | I86 T87 H89 Q108 I118 M119 H120 | I86-D110 WeakPolarHBondContact CA-O 3.33Å; T87-D110 PolarHBondContact N-O 2.76Å; T87-D110 PolarHBondContact O-N 2.75Å; T87-D110 VanDerWaalsContact OG1-CB 3.28Å; T87-D110 WeakPolarHBondContact OG1-CB 3.49Å; H89-D110 IonicContact CD2-OD1 3.8Å; H89-D110 IonicContact CD2-OD2 3.18Å; H89-D110 PolarHBondContact CD2-OD2 3.2Å; H89-D110 IonicContact NE2-OD2 3.29Å; H89-D110 PolarHBondContact NE2-OD2 3.48Å; Q108-D110 VanDerWaalsContact CG-OD1 3.25Å; Q108-D110 WeakPolarHBondContact CG-OD1 3.34Å; Q108-D110 PolarHBondContact NE2-OD1 2.79Å; Q108-D110 PolarHBondContact NE2-OD2 2.9Å; D110-I118 HydrophobicContact CB-CG2 3.71Å; D110-M119 WeakPolarHBondContact CA-O 3.35Å; D110-H120 IonicContact OD1-CE1 3.79Å; D110-H120 IonicContact OD1-CG 3.5Å; D110-H120 IonicContact OD1-ND1 2.74Å; D110-H120 PolarHBondContact OD1-ND1 3.29Å; D110-H120 IonicContact OD2-CE1 3.28Å; D110-H120 PolarHBondContact OD2-CE1 2.84Å; D110-H120 VanDerWaalsContact OD2-CE1 3.28Å; D110-H120 IonicContact OD2-ND1 2.97Å; D110-H120 PolarHBondContact OD2-ND1 2.95Å |
| 111 | F | 75.1 | Confident | 69.7 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 110.1 | 175.9 | -69.6 | -99.7 | 0 | 0 | 0 | 108.4 | V83 I86 L109 Y113 I118 M119 V121 W132 F136 | V83-F111 HydrophobicContact CG1-CD1 4.05Å; I86-F111 HydrophobicContact CD1-CD1 3.98Å; I86-F111 HydrophobicContact CD1-CE1 3.44Å; I86-F111 VanDerWaalsContact CD1-CE1 3.44Å; I86-F111 HydrophobicContact CD1-CZ 4.08Å; I86-F111 HydrophobicContact CG1-CD1 3.83Å; I86-F111 HydrophobicContact CG1-CE1 3.78Å; I86-F111 HydrophobicContact CG1-CZ 4.45Å; I86-F111 HydrophobicContact CG2-CZ 4.39Å; L109-F111 HydrophobicContact CB-CD2 4.35Å; L109-F111 HydrophobicContact CB-CE2 3.71Å; L109-F111 HydrophobicContact CB-CZ 4.4Å; L109-F111 HydrophobicContact CD1-CE2 4.36Å; L109-F111 HydrophobicContact CD1-CZ 4.32Å; F111-Y113 WeakPolarHBondContact O-CD1 3.39Å; F111-I118 CarbonylContact O-C 2.86Å; F111-I118 WeakPolarHBondContact O-CA 3.41Å; F111-M119 HydrophobicContact CB-CB 4.26Å; F111-M119 HydrophobicContact CB-CE 3.85Å; F111-M119 HydrophobicContact CD2-CE 3.82Å; F111-M119 HydrophobicContact CG-CE 3.79Å; F111-M119 PolarHBondContact N-O 3.41Å; F111-M119 PolarHBondContact O-N 2.79Å; F111-V121 HydrophobicContact CD2-CB 4.36Å; F111-V121 HydrophobicContact CD2-CG2 3.68Å; F111-V121 HydrophobicContact CE2-CB 4.1Å; F111-V121 HydrophobicContact CE2-CG2 3.77Å; F111-W132 HydrophobicContact CE1-CE3 4.19Å; F111-W132 HydrophobicContact CE1-CZ3 4.11Å; F111-W132 HydrophobicContact CE2-CE3 4.02Å; F111-W132 AromaticContact CE2-CZ3 3.79Å; F111-W132 HydrophobicContact CE2-CZ3 3.79Å; F111-W132 AromaticContact CZ-CE3 3.43Å; F111-W132 HydrophobicContact CZ-CE3 3.43Å; F111-W132 VanDerWaalsContact CZ-CE3 3.43Å; F111-W132 AromaticContact CZ-CZ3 3.49Å; F111-W132 HydrophobicContact CZ-CZ3 3.49Å; F111-W132 VanDerWaalsContact CZ-CZ3 3.49Å; F111-F136 HydrophobicContact CE1-CD1 4.4Å; F111-F136 AromaticContact CE1-CD2 3.94Å; F111-F136 HydrophobicContact CE1-CD2 3.94Å; F111-F136 HydrophobicContact CE1-CE1 4.39Å; F111-F136 AromaticContact CE1-CE2 3.94Å; F111-F136 HydrophobicContact CE1-CE2 3.94Å; F111-F136 HydrophobicContact CE1-CG 4.21Å; F111-F136 HydrophobicContact CE1-CZ 4.19Å; F111-F136 HydrophobicContact CZ-CD2 4.31Å; F111-F136 HydrophobicContact CZ-CE2 4.33Å |
| 112 | C | 73.4 | Confident | 71.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 14% | 0.142 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 115.3 | 174 | -65 | 0 | 0 | 0 | 0 | 108.5 | V83 F84 G85 K117 | V83-C112 WeakPolarHBondContact CA-O 3.25Å; F84-C112 HydrophobicContact CD1-CB 4.3Å; F84-C112 WeakPolarHBondContact CD1-O 3.27Å; F84-C112 HydrophobicContact CD2-CB 4.12Å; F84-C112 HydrophobicContact CE1-CB 3.78Å; F84-C112 WeakPolarHBondContact CE1-O 3.37Å; F84-C112 HydrophobicContact CE2-CB 3.59Å; F84-C112 HydrophobicContact CG-CB 4.46Å; F84-C112 HydrophobicContact CZ-CB 3.43Å; F84-C112 VanDerWaalsContact CZ-CB 3.43Å; F84-C112 PolarHBondContact N-O 3.17Å; G85-C112 PolarHBondContact O-N 3.39Å; C112-K117 WeakPolarHBondContact CA-O 3.31Å |
| 113 | Y | 73.2 | Confident | 73.3 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 157.1 | -177.2 | 73.3 | -77 | 0 | 0 | 0 | 112.2 | K76 I78 K82 F111 R115 K117 M119 | K76-Y113 WeakPolarHBondContact CE-OH 3.38Å; K76-Y113 PolarHBondContact NZ-OH 3.43Å; I78-Y113 HydrophobicContact CD1-CD1 3.83Å; I78-Y113 HydrophobicContact CD1-CD2 4.21Å; I78-Y113 HydrophobicContact CD1-CE1 3.69Å; I78-Y113 HydrophobicContact CD1-CE2 4.07Å; I78-Y113 HydrophobicContact CD1-CG 4.1Å; I78-Y113 HydrophobicContact CG1-CD2 4.21Å; I78-Y113 HydrophobicContact CG1-CE2 4.04Å; I78-Y113 HydrophobicContact CG2-CD2 3.92Å; I78-Y113 HydrophobicContact CG2-CG 3.93Å; K82-Y113 WeakPolarHBondContact O-CA 3.16Å; F111-Y113 WeakPolarHBondContact O-CD1 3.39Å; Y113-R115 VanDerWaalsContact C-N 3.27Å; Y113-R115 PolarHBondContact O-N 2.89Å; Y113-K117 HydrophobicContact CD1-CB 3.93Å; Y113-K117 WeakPolarHBondContact CD1-O 3.47Å; Y113-K117 HydrophobicContact CD2-CB 4.19Å; Y113-K117 HydrophobicContact CE1-CB 3.52Å; Y113-K117 HydrophobicContact CE2-CB 3.83Å; Y113-K117 HydrophobicContact CE2-CD 3.88Å; Y113-K117 HydrophobicContact CE2-CG 4.44Å; Y113-K117 HydrophobicContact CG-CB 4.25Å; Y113-K117 VanDerWaalsContact CZ-CB 3.48Å; Y113-K117 PolarHBondContact N-O 2.79Å; Y113-K117 WeakPolarHBondContact O-CA 3.24Å; Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 3.38Å; Y113-K117 VanDerWaalsContact O-O 3.06Å; Y113-M119 HydrophobicContact CD1-CB 4.24Å; Y113-M119 HydrophobicContact CE1-CB 3.77Å |
| 114 | N | 68.7 | Low | 74 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.3 | -179.5 | -64.2 | -7.1 | 0 | 0 | 0 | 113.3 | K82 K116 | K82-N114 WeakPolarHBondContact CB-OD1 3.06Å; K82-N114 WeakPolarHBondContact CD-OD1 3.38Å; K82-N114 PolarHBondContact O-N 2.8Å; N114-K116 PolarHBondContact O-N 2.82Å |
| 115 | R | 66.8 | Low | 74.4 | Confident | 226 Ų | 226 | 54.7 Ų | 54.7 | 85% | 0.853 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -28.1 | -179.3 | -60.2 | -177.8 | 178.1 | 173.5 | -0.4 | 117.6 | F84 Y113 | F84-R115 VanDerWaalsContact CE1-CA 3.4Å; F84-R115 VanDerWaalsContact CE1-N 3.35Å; F84-R115 WeakPolarHBondContact CZ-O 3.42Å; Y113-R115 VanDerWaalsContact C-N 3.27Å; Y113-R115 PolarHBondContact O-N 2.89Å |
| 116 | K | 74.6 | Confident | 74.7 | Confident | 195 Ų | 195 | 53.4 Ų | 53.4 | 85% | 0.848 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | -7.9 | -173.3 | -65.3 | -173.3 | 179.7 | -179.5 | 0 | 115.1 | N114 | N114-K116 PolarHBondContact O-N 2.82Š|
| 117 | K | 78.7 | Confident | 75.1 | Confident | 121 Ų | 121 | 59.7 Ų | 59.7 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 140.4 | -179.5 | -62.3 | -172 | 178.9 | -175.7 | 0 | 109.9 | C112 Y113 | C112-K117 WeakPolarHBondContact CA-O 3.31Å; Y113-K117 HydrophobicContact CD1-CB 3.93Å; Y113-K117 WeakPolarHBondContact CD1-O 3.47Å; Y113-K117 HydrophobicContact CD2-CB 4.19Å; Y113-K117 HydrophobicContact CE1-CB 3.52Å; Y113-K117 HydrophobicContact CE2-CB 3.83Å; Y113-K117 HydrophobicContact CE2-CD 3.88Å; Y113-K117 HydrophobicContact CE2-CG 4.44Å; Y113-K117 HydrophobicContact CG-CB 4.25Å; Y113-K117 VanDerWaalsContact CZ-CB 3.48Å; Y113-K117 PolarHBondContact N-O 2.79Å; Y113-K117 WeakPolarHBondContact O-CA 3.24Å; Y113-K117 WeakPolarHBondContact O-CB 3.37Å; Y113-K117 PolarHBondContact O-N 3.38Å; Y113-K117 VanDerWaalsContact O-O 3.06Å |
| 118 | I | 78.1 | Confident | 75.5 | Confident | 84 Ų | 84 | 60.3 Ų | 60.3 | 43% | 0.431 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.6 | 175.2 | -55.5 | 175.8 | 0 | 0 | 0 | 107.7 | D110 F111 | D110-I118 HydrophobicContact CB-CG2 3.71Å; F111-I118 CarbonylContact O-C 2.86Å; F111-I118 WeakPolarHBondContact O-CA 3.41Å |
| 119 | M | 83 | Confident | 75.3 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.3 | 169 | 173.8 | -179 | 66.5 | 0 | 0 | 108.8 | L59 F61 K76 I78 D110 F111 Y113 V121 | L59-M119 HydrophobicContact CD2-CE 3.94Å; F61-M119 HydrophobicContact CD2-SD 4.2Å; F61-M119 HydrophobicContact CE1-SD 4.39Å; F61-M119 HydrophobicContact CE2-CE 3.72Å; F61-M119 HydrophobicContact CE2-SD 3.28Å; F61-M119 WeakPolarHBondContact CE2-SD 3.13Å; F61-M119 HydrophobicContact CZ-CE 3.49Å; F61-M119 VanDerWaalsContact CZ-CE 3.49Å; F61-M119 HydrophobicContact CZ-SD 3.39Å; F61-M119 WeakPolarHBondContact CZ-SD 3.1Å; K76-M119 HydrophobicContact CD-SD 4.5Å; I78-M119 HydrophobicContact CD1-CB 3.87Å; I78-M119 HydrophobicContact CD1-CE 3.45Å; I78-M119 VanDerWaalsContact CD1-CE 3.45Å; I78-M119 HydrophobicContact CD1-CG 4.2Å; I78-M119 HydrophobicContact CD1-SD 3.3Å; I78-M119 WeakPolarHBondContact CD1-SD 3.35Å; I78-M119 HydrophobicContact CG1-SD 4.46Å; D110-M119 WeakPolarHBondContact CA-O 3.35Å; F111-M119 HydrophobicContact CB-CB 4.26Å; F111-M119 HydrophobicContact CB-CE 3.85Å; F111-M119 HydrophobicContact CD2-CE 3.82Å; F111-M119 HydrophobicContact CG-CE 3.79Å; F111-M119 PolarHBondContact N-O 3.41Å; F111-M119 PolarHBondContact O-N 2.79Å; Y113-M119 HydrophobicContact CD1-CB 4.24Å; Y113-M119 HydrophobicContact CE1-CB 3.77Å; M119-V121 HydrophobicContact CE-CG2 3.73Å; M119-V121 HydrophobicContact CG-CG2 3.94Å; M119-V121 HydrophobicContact SD-CG2 4.14Å |
| 120 | H | 84.9 | Confident | 74.8 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 18% | 0.181 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 124.9 | 177 | -48 | -82.8 | 0 | 0 | 0 | 109.8 | I37 K38 W47 Q108 D110 | I37-H120 WeakPolarHBondContact CA-O 3.33Å; K38-H120 HydrophobicContact CB-CB 3.85Å; K38-H120 HydrophobicContact CD-CB 4.32Å; K38-H120 PolarHBondContact N-O 2.93Å; W47-H120 HydrophobicContact CH2-CB 3.58Å; W47-H120 HydrophobicContact CZ2-CB 4.41Å; W47-H120 HydrophobicContact CZ3-CB 4.14Å; Q108-H120 HydrophobicContact CG-CB 4.21Å; Q108-H120 PolarHBondContact NE2-ND1 2.91Å; Q108-H120 VanDerWaalsContact NE2-ND1 3.15Å; D110-H120 IonicContact OD1-CE1 3.79Å; D110-H120 IonicContact OD1-CG 3.5Å; D110-H120 IonicContact OD1-ND1 2.74Å; D110-H120 PolarHBondContact OD1-ND1 3.29Å; D110-H120 IonicContact OD2-CE1 3.28Å; D110-H120 PolarHBondContact OD2-CE1 2.84Å; D110-H120 VanDerWaalsContact OD2-CE1 3.28Å; D110-H120 IonicContact OD2-ND1 2.97Å; D110-H120 PolarHBondContact OD2-ND1 2.95Å |
| 121 | V | 84.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.6 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | V35 N36 I37 Q108 L109 F111 M119 F123 W132 | V35-V121 HydrophobicContact CB-CG1 3.65Å; V35-V121 HydrophobicContact CG1-CG1 3.96Å; V35-V121 HydrophobicContact CG2-CG1 3.83Å; N36-V121 CarbonylContact O-C 3.58Å; N36-V121 WeakPolarHBondContact O-CA 3.39Å; I37-V121 HydrophobicContact CG2-CG1 4.45Å; I37-V121 HydrophobicContact CG2-CG2 4.19Å; Q108-V121 CarbonylContact C-O 3.54Å; Q108-V121 VanDerWaalsContact CA-O 3.27Å; Q108-V121 WeakPolarHBondContact CA-O 3.43Å; L109-V121 PolarHBondContact N-O 2.84Å; L109-V121 PolarHBondContact O-N 2.88Å; F111-V121 HydrophobicContact CD2-CB 4.36Å; F111-V121 HydrophobicContact CD2-CG2 3.68Å; F111-V121 HydrophobicContact CE2-CB 4.1Å; F111-V121 HydrophobicContact CE2-CG2 3.77Å; M119-V121 HydrophobicContact CE-CG2 3.73Å; M119-V121 HydrophobicContact CG-CG2 3.94Å; M119-V121 HydrophobicContact SD-CG2 4.14Å; V121-F123 HydrophobicContact CB-CE2 4.19Å; V121-F123 HydrophobicContact CB-CZ 4.24Å; V121-F123 HydrophobicContact CG1-CE1 4.19Å; V121-F123 HydrophobicContact CG1-CE2 3.87Å; V121-F123 HydrophobicContact CG1-CZ 3.61Å; V121-F123 WeakPolarHBondContact O-CE2 3.35Å; V121-W132 HydrophobicContact CG1-CH2 4.3Å |
| 122 | R | 84.2 | Confident | 74.5 | Confident | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146 | 173.7 | -77.8 | 173.9 | -177.1 | -174.3 | 13.3 | 110.6 | N36 W47 N105 V107 Q108 | N36-R122 HydrophobicContact CB-CB 4.05Å; N36-R122 PolarHBondContact N-O 2.95Å; N36-R122 PolarHBondContact O-N 2.87Å; W47-R122 HydrophobicContact CE3-CB 4.22Å; W47-R122 HydrophobicContact CE3-CG 4.08Å; W47-R122 HydrophobicContact CH2-CB 4.44Å; W47-R122 VanDerWaalsContact CH2-CD 3.49Å; W47-R122 HydrophobicContact CH2-CG 3.55Å; W47-R122 VanDerWaalsContact CH2-NE 3.3Å; W47-R122 HydrophobicContact CZ2-CG 4.21Å; W47-R122 VanDerWaalsContact CZ2-NH2 3.33Å; W47-R122 HydrophobicContact CZ3-CB 3.88Å; W47-R122 HydrophobicContact CZ3-CG 3.49Å; W47-R122 VanDerWaalsContact CZ3-CG 3.49Å; N105-R122 WeakPolarHBondContact O-CD 3.38Å; V107-R122 VanDerWaalsContact O-CA 3.3Å; V107-R122 WeakPolarHBondContact O-CA 3.46Å; V107-R122 WeakPolarHBondContact O-CG 3.47Å; Q108-R122 HydrophobicContact CB-CG 3.88Å; Q108-R122 HydrophobicContact CG-CG 4.29Å |
| 123 | F | 79.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -110.6 | 130.7 | -171.8 | -63.2 | -92.9 | 0 | 0 | 0 | 110.3 | V35 W104 N105 V107 L109 V121 K125 T128 V129 W132 | V35-F123 HydrophobicContact CG1-CD1 3.8Å; V35-F123 HydrophobicContact CG1-CE1 3.71Å; W104-F123 CarbonylContact C-O 3.59Å; W104-F123 WeakPolarHBondContact CB-O 3.34Å; N105-F123 WeakPolarHBondContact CA-O 3.21Å; N105-F123 PolarHBondContact N-O 3.12Å; N105-F123 VanDerWaalsContact N-O 3.11Å; V107-F123 HydrophobicContact CG1-CD2 4.46Å; V107-F123 PolarHBondContact O-N 2.83Å; L109-F123 HydrophobicContact CB-CE2 3.8Å; L109-F123 HydrophobicContact CB-CZ 4.36Å; L109-F123 HydrophobicContact CD1-CE2 3.47Å; L109-F123 VanDerWaalsContact CD1-CE2 3.47Å; L109-F123 HydrophobicContact CD1-CZ 3.54Å; L109-F123 HydrophobicContact CG-CD2 4.38Å; L109-F123 HydrophobicContact CG-CE2 3.48Å; L109-F123 VanDerWaalsContact CG-CE2 3.48Å; L109-F123 HydrophobicContact CG-CZ 4.09Å; V121-F123 HydrophobicContact CB-CE2 4.19Å; V121-F123 HydrophobicContact CB-CZ 4.24Å; V121-F123 HydrophobicContact CG1-CE1 4.19Å; V121-F123 HydrophobicContact CG1-CE2 3.87Å; V121-F123 HydrophobicContact CG1-CZ 3.61Å; V121-F123 WeakPolarHBondContact O-CE2 3.35Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-T128 HydrophobicContact CD1-CG2 3.76Å; F123-T128 HydrophobicContact CE1-CG2 4.22Å; F123-V129 HydrophobicContact CB-CG2 3.39Å; F123-V129 HydrophobicContact CD1-CG2 3.79Å; F123-V129 HydrophobicContact CD2-CG2 3.69Å; F123-V129 HydrophobicContact CE2-CG2 4.48Å; F123-V129 HydrophobicContact CG-CB 4.43Å; F123-V129 HydrophobicContact CG-CG2 3.31Å; F123-W132 HydrophobicContact CE1-CB 4.17Å; F123-W132 AromaticContact CE1-CD1 3.75Å; F123-W132 AromaticContact CE1-CD2 3.73Å; F123-W132 HydrophobicContact CE1-CD2 3.73Å; F123-W132 AromaticContact CE1-CE2 3.85Å; F123-W132 HydrophobicContact CE1-CE3 4.45Å; F123-W132 AromaticContact CE1-CG 3.61Å; F123-W132 HydrophobicContact CE1-CG 3.61Å; F123-W132 AromaticContact CE1-NE1 3.8Å; F123-W132 HydrophobicContact CZ-CB 4.44Å; F123-W132 AromaticContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CE3 4.24Å; F123-W132 HydrophobicContact CZ-CG 4.1Å | ||
| 124 | P | 70.2 | Confident | 73.8 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -73 | -25.5 | 174.3 | 28.5 | -32.9 | 0 | 0 | 0 | 112.1 | C34 | C34-P124 WeakPolarHBondContact O-CD 3.22Å; C34-P124 VanDerWaalsContact O-CG 3.29Å; C34-P124 WeakPolarHBondContact O-CG 3.13Å |
| 125 | K | 70.8 | Confident | 73.7 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 53% | 0.53 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -138.3 | 151 | -172.3 | -61.3 | -175.4 | 176.9 | -171.6 | 0 | 112 | F123 E127 T128 V129 | F123-K125 VanDerWaalsContact C-N 3.29Å; K125-E127 VanDerWaalsContact C-N 3.33Å; K125-T128 PolarHBondContact O-N 3.48Å; K125-V129 PolarHBondContact O-N 3.23Å |
| 126 | L | 67.5 | Low | 73.7 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 173.5 | 175.5 | 50.5 | 0 | 0 | 0 | 112.1 | W104 T128 V129 N130 V143 | W104-L126 HydrophobicContact CD2-CB 4.01Å; W104-L126 HydrophobicContact CH2-CB 4.25Å; W104-L126 HydrophobicContact CH2-CD1 3.09Å; W104-L126 HydrophobicContact CH2-CG 4.09Å; W104-L126 HydrophobicContact CZ2-CB 3.55Å; W104-L126 HydrophobicContact CZ2-CD1 3.15Å; W104-L126 HydrophobicContact CZ2-CD2 3.83Å; W104-L126 HydrophobicContact CZ2-CG 3.63Å; W104-L126 HydrophobicContact CZ3-CD1 3.82Å; L126-T128 PolarHBondContact O-N 3.32Å; L126-V129 WeakPolarHBondContact O-CA 3.2Å; L126-V129 WeakPolarHBondContact O-CB 3.29Å; L126-V129 PolarHBondContact O-N 2.88Å; L126-N130 PolarHBondContact O-N 2.86Å; L126-V143 HydrophobicContact CD1-CB 4.3Å; L126-V143 HydrophobicContact CD1-CG1 4.35Å; L126-V143 WeakPolarHBondContact CD1-O 3.3Å |
| 127 | E | 69.1 | Low | 72.9 | Confident | 141 Ų | 141 | 41 Ų | 41 | 66% | 0.659 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -55.1 | -41.9 | -177.6 | -65.6 | 164.4 | -179.7 | 0 | 0 | 111.3 | K125 N130 L131 | K125-E127 VanDerWaalsContact C-N 3.33Å; E127-N130 PolarHBondContact O-N 3.39Å; E127-L131 PolarHBondContact O-N 2.99Å |
| 128 | T | 73.5 | Confident | 71.5 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 10% | 0.104 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.7 | -43.6 | 0 | 0 | 0 | 0 | 111.1 | L32 V35 F123 K125 L126 L131 W132 | L32-T128 WeakPolarHBondContact O-CG2 3.46Å; V35-T128 HydrophobicContact CG1-CG2 3.93Å; F123-T128 HydrophobicContact CD1-CG2 3.76Å; F123-T128 HydrophobicContact CE1-CG2 4.22Å; K125-T128 PolarHBondContact O-N 3.48Å; L126-T128 PolarHBondContact O-N 3.32Å; T128-L131 PolarHBondContact O-N 3.41Å; T128-W132 PolarHBondContact O-N 3.33Å; T128-W132 VanDerWaalsContact O-N 3.08Å |
| 129 | V | 71.3 | Confident | 69.9 | Low | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | W104 V107 F123 K125 L126 L131 W132 M133 V143 | W104-V129 HydrophobicContact CE3-CG2 3.75Å; W104-V129 HydrophobicContact CZ3-CB 4.3Å; W104-V129 HydrophobicContact CZ3-CG1 4.43Å; W104-V129 HydrophobicContact CZ3-CG2 3.84Å; V107-V129 HydrophobicContact CG1-CG2 4.4Å; F123-V129 HydrophobicContact CB-CG2 3.39Å; F123-V129 HydrophobicContact CD1-CG2 3.79Å; F123-V129 HydrophobicContact CD2-CG2 3.69Å; F123-V129 HydrophobicContact CE2-CG2 4.48Å; F123-V129 HydrophobicContact CG-CB 4.43Å; F123-V129 HydrophobicContact CG-CG2 3.31Å; K125-V129 PolarHBondContact O-N 3.23Å; L126-V129 WeakPolarHBondContact O-CA 3.2Å; L126-V129 WeakPolarHBondContact O-CB 3.29Å; L126-V129 PolarHBondContact O-N 2.88Å; V129-L131 VanDerWaalsContact C-N 3.34Å; V129-L131 PolarHBondContact O-N 2.81Å; V129-W132 PolarHBondContact O-N 3.03Å; V129-M133 HydrophobicContact CG1-CG 4.08Å; V129-M133 WeakPolarHBondContact O-CB 3.34Å; V129-M133 VanDerWaalsContact O-CG 3.3Å; V129-M133 WeakPolarHBondContact O-CG 3.35Å; V129-M133 PolarHBondContact O-N 3.01Å; V129-V143 HydrophobicContact CG1-CG2 4.23Å |
| 130 | N | 66.2 | Low | 67.8 | Low | 33 Ų | 33 | 37.7 Ų | 37.7 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | -179.6 | -79.8 | -22.4 | 0 | 0 | 0 | 112 | L126 E127 W132 M133 S134 V143 | L126-N130 PolarHBondContact O-N 2.86Å; E127-N130 PolarHBondContact O-N 3.39Å; N130-W132 PolarHBondContact O-N 2.91Å; N130-M133 PolarHBondContact O-N 3.11Å; N130-S134 WeakPolarHBondContact O-CB 3.44Å; N130-S134 PolarHBondContact O-N 3.05Å; N130-S134 PolarHBondContact O-OG 3.01Å; N130-V143 PolarHBondContact ND2-O 3.47Å; N130-V143 WeakPolarHBondContact OD1-CA 3.48Å; N130-V143 VanDerWaalsContact OD1-CB 3.23Å; N130-V143 WeakPolarHBondContact OD1-CB 3.42Å; N130-V143 PolarHBondContact OD1-N 3.29Å; N130-V143 PolarHBondContact OD1-O 2.87Å |
| 131 | L | 69.7 | Low | 65.9 | Low | 58 Ų | 58 | 40.4 Ų | 40.4 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 174.9 | -178.8 | 61.8 | 0 | 0 | 0 | 111.5 | L30 L32 E127 T128 V129 S134 V135 | L30-L131 HydrophobicContact CD2-CD1 4.44Å; L32-L131 HydrophobicContact CD2-CD2 4.49Å; L32-L131 HydrophobicContact CD2-CG 4.31Å; E127-L131 PolarHBondContact O-N 2.99Å; T128-L131 PolarHBondContact O-N 3.41Å; V129-L131 VanDerWaalsContact C-N 3.34Å; V129-L131 PolarHBondContact O-N 2.81Å; L131-S134 PolarHBondContact O-N 3.48Å; L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 3.46Å |
| 132 | W | 76.7 | Confident | 64 | Low | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.1 | -79.8 | 59.9 | 0 | 0 | 0 | 112.1 | L32 V35 A52 L59 F61 F111 V121 F123 T128 V129 N130 S134 V135 F136 | L32-W132 HydrophobicContact CB-CZ2 4.18Å; L32-W132 HydrophobicContact CD1-CD2 4.28Å; L32-W132 HydrophobicContact CD1-CZ2 4.25Å; L32-W132 PolarHBondContact O-NE1 3.47Å; V35-W132 HydrophobicContact CG1-CZ2 3.75Å; V35-W132 HydrophobicContact CG2-CZ2 4.03Å; A52-W132 HydrophobicContact CB-CH2 4Å; A52-W132 HydrophobicContact CB-CZ2 3.4Å; A52-W132 VanDerWaalsContact CB-CZ2 3.4Å; L59-W132 HydrophobicContact CD1-CH2 3.91Å; L59-W132 HydrophobicContact CD1-CZ3 4.25Å; L59-W132 HydrophobicContact CD2-CH2 3.92Å; L59-W132 HydrophobicContact CD2-CZ3 3.76Å; L59-W132 HydrophobicContact CG-CH2 4.42Å; F61-W132 AromaticContact CE1-CH2 3.78Å; F61-W132 HydrophobicContact CE1-CH2 3.78Å; F61-W132 HydrophobicContact CE1-CZ2 4.33Å; F61-W132 AromaticContact CZ-CH2 3.83Å; F61-W132 HydrophobicContact CZ-CH2 3.83Å; F111-W132 HydrophobicContact CE1-CE3 4.19Å; F111-W132 HydrophobicContact CE1-CZ3 4.11Å; F111-W132 HydrophobicContact CE2-CE3 4.02Å; F111-W132 AromaticContact CE2-CZ3 3.79Å; F111-W132 HydrophobicContact CE2-CZ3 3.79Å; F111-W132 AromaticContact CZ-CE3 3.43Å; F111-W132 HydrophobicContact CZ-CE3 3.43Å; F111-W132 VanDerWaalsContact CZ-CE3 3.43Å; F111-W132 AromaticContact CZ-CZ3 3.49Å; F111-W132 HydrophobicContact CZ-CZ3 3.49Å; F111-W132 VanDerWaalsContact CZ-CZ3 3.49Å; V121-W132 HydrophobicContact CG1-CH2 4.3Å; F123-W132 HydrophobicContact CE1-CB 4.17Å; F123-W132 AromaticContact CE1-CD1 3.75Å; F123-W132 AromaticContact CE1-CD2 3.73Å; F123-W132 HydrophobicContact CE1-CD2 3.73Å; F123-W132 AromaticContact CE1-CE2 3.85Å; F123-W132 HydrophobicContact CE1-CE3 4.45Å; F123-W132 AromaticContact CE1-CG 3.61Å; F123-W132 HydrophobicContact CE1-CG 3.61Å; F123-W132 AromaticContact CE1-NE1 3.8Å; F123-W132 HydrophobicContact CZ-CB 4.44Å; F123-W132 AromaticContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CD2 3.97Å; F123-W132 HydrophobicContact CZ-CE3 4.24Å; F123-W132 HydrophobicContact CZ-CG 4.1Å; T128-W132 PolarHBondContact O-N 3.33Å; T128-W132 VanDerWaalsContact O-N 3.08Å; V129-W132 PolarHBondContact O-N 3.03Å; N130-W132 PolarHBondContact O-N 2.91Å; W132-S134 VanDerWaalsContact C-N 3.34Å; W132-S134 PolarHBondContact O-N 3.1Å; W132-V135 PolarHBondContact O-N 3.04Å; W132-F136 HydrophobicContact CD2-CE2 4.3Å; W132-F136 HydrophobicContact CE3-CD2 4.01Å; W132-F136 AromaticContact CE3-CE2 3.48Å; W132-F136 HydrophobicContact CE3-CE2 3.48Å; W132-F136 VanDerWaalsContact CE3-CE2 3.48Å; W132-F136 HydrophobicContact CE3-CZ 4.5Å; W132-F136 AromaticContact CZ3-CE2 3.89Å; W132-F136 HydrophobicContact CZ3-CE2 3.89Å; W132-F136 VanDerWaalsContact O-CD2 3.25Å; W132-F136 WeakPolarHBondContact O-CD2 3.23Å; W132-F136 PolarHBondContact O-N 3.16Å |
| 133 | M | 67.4 | Low | 62.3 | Low | 19 Ų | 19 | 46.1 Ų | 46.1 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.1 | -69.1 | -56.4 | -60.7 | 0 | 0 | 111.5 | F12 L109 V129 N130 V135 A137 V143 | F12-M133 HydrophobicContact CZ-CE 4.18Å; L109-M133 HydrophobicContact CD1-SD 4.24Å; V129-M133 HydrophobicContact CG1-CG 4.08Å; V129-M133 WeakPolarHBondContact O-CB 3.34Å; V129-M133 VanDerWaalsContact O-CG 3.3Å; V129-M133 WeakPolarHBondContact O-CG 3.35Å; V129-M133 PolarHBondContact O-N 3.01Å; N130-M133 PolarHBondContact O-N 3.11Å; M133-V135 VanDerWaalsContact C-N 3.29Å; M133-V135 PolarHBondContact O-N 2.84Å; M133-A137 HydrophobicContact CE-CB 4.15Å; M133-A137 WeakPolarHBondContact O-CA 3.41Å; M133-A137 WeakPolarHBondContact O-CB 3.42Å; M133-A137 PolarHBondContact O-N 2.82Å; M133-V143 HydrophobicContact CG-CG2 3.95Å |
| 134 | S | 64.8 | Low | 60.6 | Low | 28 Ų | 28 | 53.5 Ų | 53.5 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 174 | -64.9 | 0 | 0 | 0 | 0 | 112 | N130 L131 W132 G138 G139 | N130-S134 WeakPolarHBondContact O-CB 3.44Å; N130-S134 PolarHBondContact O-N 3.05Å; N130-S134 PolarHBondContact O-OG 3.01Å; L131-S134 PolarHBondContact O-N 3.48Å; W132-S134 VanDerWaalsContact C-N 3.34Å; W132-S134 PolarHBondContact O-N 3.1Å; S134-G138 PolarHBondContact O-N 2.85Å; S134-G139 PolarHBondContact O-N 2.78Å |
| 135 | V | 65.4 | Low | 59.4 | Low | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.8 | -45.6 | 179.2 | 170 | 0 | 0 | 0 | 0 | 112.2 | I22 L30 L32 L54 L131 W132 M133 | I22-V135 HydrophobicContact CG1-CG1 4.46Å; L30-V135 HydrophobicContact CD2-CG2 3.78Å; L32-V135 HydrophobicContact CD2-CB 4.37Å; L32-V135 HydrophobicContact CD2-CG1 4.38Å; L32-V135 HydrophobicContact CD2-CG2 3.77Å; L54-V135 HydrophobicContact CD2-CG1 3.55Å; L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.23Å; L131-V135 PolarHBondContact O-N 3.46Å; W132-V135 PolarHBondContact O-N 3.04Å; M133-V135 VanDerWaalsContact C-N 3.29Å; M133-V135 PolarHBondContact O-N 2.84Å |
| 136 | F | 66.4 | Low | 58.2 | Low | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -90.1 | -26 | -174.2 | -71 | -73.6 | 0 | 0 | 0 | 114.6 | L17 I22 L32 L59 A80 I86 F111 W132 | L17-F136 HydrophobicContact CD2-CB 4.34Å; L17-F136 VanDerWaalsContact CD2-O 3.26Å; L17-F136 WeakPolarHBondContact CD2-O 3.4Å; I22-F136 HydrophobicContact CD1-CD1 3.52Å; I22-F136 HydrophobicContact CD1-CE1 3.76Å; I22-F136 HydrophobicContact CD1-CG 4.46Å; L32-F136 HydrophobicContact CD1-CE2 4.28Å; L59-F136 HydrophobicContact CD1-CZ 4.45Å; L59-F136 HydrophobicContact CD2-CZ 4.01Å; A80-F136 HydrophobicContact CB-CE1 4.48Å; I86-F136 HydrophobicContact CD1-CB 3.51Å; I86-F136 HydrophobicContact CD1-CD1 4.3Å; I86-F136 HydrophobicContact CD1-CD2 4.44Å; I86-F136 HydrophobicContact CD1-CG 3.84Å; F111-F136 HydrophobicContact CE1-CD1 4.4Å; F111-F136 AromaticContact CE1-CD2 3.94Å; F111-F136 HydrophobicContact CE1-CD2 3.94Å; F111-F136 HydrophobicContact CE1-CE1 4.39Å; F111-F136 AromaticContact CE1-CE2 3.94Å; F111-F136 HydrophobicContact CE1-CE2 3.94Å; F111-F136 HydrophobicContact CE1-CG 4.21Å; F111-F136 HydrophobicContact CE1-CZ 4.19Å; F111-F136 HydrophobicContact CZ-CD2 4.31Å; F111-F136 HydrophobicContact CZ-CE2 4.33Å; W132-F136 HydrophobicContact CD2-CE2 4.3Å; W132-F136 HydrophobicContact CE3-CD2 4.01Å; W132-F136 AromaticContact CE3-CE2 3.48Å; W132-F136 HydrophobicContact CE3-CE2 3.48Å; W132-F136 VanDerWaalsContact CE3-CE2 3.48Å; W132-F136 HydrophobicContact CE3-CZ 4.5Å; W132-F136 AromaticContact CZ3-CE2 3.89Å; W132-F136 HydrophobicContact CZ3-CE2 3.89Å; W132-F136 VanDerWaalsContact O-CD2 3.25Å; W132-F136 WeakPolarHBondContact O-CD2 3.23Å; W132-F136 PolarHBondContact O-N 3.16Å |
| 137 | A | 58.3 | Low | 57.5 | Low | 22 Ų | 22 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 12.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M133 | M133-A137 HydrophobicContact CE-CB 4.15Å; M133-A137 WeakPolarHBondContact O-CA 3.41Å; M133-A137 WeakPolarHBondContact O-CB 3.42Å; M133-A137 PolarHBondContact O-N 2.82Å |
| 138 | G | 50.6 | Low | 56 | Low | 36 Ų | 36 | 50.9 Ų | 50.9 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 38.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | S134 T140 | S134-G138 PolarHBondContact O-N 2.85Å; G138-T140 PolarHBondContact O-N 2.95Å |
| 139 | G | 42.8 | Very low | 54.2 | Low | 14 Ų | 14 | 57.6 Ų | 57.6 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -18.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117 | S134 K141 L202 | S134-G139 PolarHBondContact O-N 2.78Å; G139-K141 VanDerWaalsContact C-N 3.32Å; G139-K141 PolarHBondContact O-N 3.5Å; G139-L202 VanDerWaalsContact O-CD2 3.31Å; G139-L202 WeakPolarHBondContact O-CD2 3.31Å |
| 140 | T | 39.2 | Very low | 52.2 | Low | 89 Ų | 89 | 64.8 Ų | 64.8 | 55% | 0.546 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -75.5 | -12.2 | -169.6 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | G138 | G138-T140 PolarHBondContact O-N 2.95Š|
| 141 | K | 44.7 | Very low | 50.3 | Low | 95 Ų | 95 | 72.6 Ų | 72.6 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | trans | -133 | 116.2 | -173.2 | -65.8 | -173 | 178.6 | -176 | 0 | 112.1 | D11 G139 | D11-K141 PolarHBondContact O-NZ 3.48Å; G139-K141 VanDerWaalsContact C-N 3.32Å; G139-K141 PolarHBondContact O-N 3.5Å | ||
| 142 | K | 44.9 | Very low | 48.2 | Very low | 146 Ų | 146 | 74.2 Ų | 74.2 | 64% | 0.635 | 38% | 0.379 | S | S | * | . | trans | -91.3 | 136.5 | 165.5 | -69.8 | -178.3 | -179 | 174.4 | 0 | 109.4 | I144 | K142-I144 PolarHBondContact O-N 2.79Š| ||
| 143 | V | 49.9 | Very low | 45.6 | Very low | 27 Ų | 27 | 84.1 Ų | 84.1 | 16% | 0.164 | 42% | 0.422 | C | S | . | . | trans | -80.7 | 104 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | W104 L126 V129 N130 M133 S145 | W104-V143 HydrophobicContact CH2-CG1 4.21Å; L126-V143 HydrophobicContact CD1-CB 4.3Å; L126-V143 HydrophobicContact CD1-CG1 4.35Å; L126-V143 WeakPolarHBondContact CD1-O 3.3Å; V129-V143 HydrophobicContact CG1-CG2 4.23Å; N130-V143 PolarHBondContact ND2-O 3.47Å; N130-V143 WeakPolarHBondContact OD1-CA 3.48Å; N130-V143 VanDerWaalsContact OD1-CB 3.23Å; N130-V143 WeakPolarHBondContact OD1-CB 3.42Å; N130-V143 PolarHBondContact OD1-N 3.29Å; N130-V143 PolarHBondContact OD1-O 2.87Å; M133-V143 HydrophobicContact CG-CG2 3.95Å; V143-S145 WeakPolarHBondContact CG1-O 3.09Å | ||
| 144 | I | 44 | Very low | 43.6 | Very low | 156 Ų | 156 | 90.1 Ų | 90.1 | 80% | 0.8 | 45% | 0.448 | S | S | * | . | trans | -82.8 | -26.4 | -176 | -54.1 | 173.7 | 0 | 0 | 0 | 110.8 | K142 | K142-I144 PolarHBondContact O-N 2.79Š| ||
| 145 | S | 44.7 | Very low | 41.6 | Very low | 82 Ų | 82 | 93.6 Ų | 93.6 | 57% | 0.573 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -149.6 | 161.6 | -178 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | V143 | V143-S145 WeakPolarHBondContact CG1-O 3.09Š|
| 146 | K | 45.9 | Very low | 39.5 | Very low | 48 Ų | 48 | 105.7 Ų | 105.7 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 143.8 | 172.9 | -69.3 | 168.1 | -174.3 | 152.7 | 0 | 108.7 | M102 W104 E148 | M102-K146 HydrophobicContact CB-CD 4.31Å; M102-K146 WeakPolarHBondContact O-CD 3.18Å; M102-K146 WeakPolarHBondContact O-CE 3.48Å; M102-K146 PolarHBondContact O-NZ 2.9Å; W104-K146 HydrophobicContact CH2-CG 3.76Å; W104-K146 HydrophobicContact CZ2-CD 4.34Å; W104-K146 HydrophobicContact CZ2-CG 3.55Å; W104-K146 HydrophobicContact CZ3-CG 4.37Å; K146-E148 PolarHBondContact O-N 2.94Å; K146-E148 VanDerWaalsContact O-N 3.16Å |
| 147 | P | 52 | Low | 37.4 | Very low | 32 Ų | 32 | 109.1 Ų | 109.1 | 21% | 0.208 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 122.9 | 175.1 | 19.6 | -23.8 | 0 | 0 | 0 | 109.9 | V8 F88 | V8-P147 HydrophobicContact CG1-CB 4.02Å; V8-P147 HydrophobicContact CG2-CB 3.88Å; V8-P147 HydrophobicContact CG2-CG 4.42Å; F88-P147 HydrophobicContact CD1-CG 3.59Å; F88-P147 HydrophobicContact CE1-CB 4.43Å; F88-P147 HydrophobicContact CE1-CG 3.04Å; F88-P147 HydrophobicContact CE2-CG 4.5Å; F88-P147 VanDerWaalsContact CZ-CD 3.48Å; F88-P147 HydrophobicContact CZ-CG 3.52Å |
| 148 | E | 38.5 | Very low | 35.8 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 143.1 | 176.3 | -70.1 | -176.8 | 164 | 0 | 0 | 110.8 | K146 K150 | K146-E148 PolarHBondContact O-N 2.94Å; K146-E148 VanDerWaalsContact O-N 3.16Å; E148-K150 PolarHBondContact O-N 3.22Å; E148-K150 VanDerWaalsContact O-N 3.08Å |
| 149 | R | 34.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | trans | -67.8 | 103.3 | 168.1 | -94.4 | -175 | 176.9 | 172.3 | 4.8 | 108.5 | ||||
| 150 | K | 29.5 | Very low | 33.6 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 66% | 0.657 | 62% | 0.618 | S | S | * | * | trans | -98.3 | 116.8 | 153.6 | -71.8 | -174.6 | 177.9 | 178.8 | 0 | 108.3 | E148 I152 | E148-K150 PolarHBondContact O-N 3.22Å; E148-K150 VanDerWaalsContact O-N 3.08Å; K150-I152 HydrophobicContact CB-CG1 4.39Å; K150-I152 PolarHBondContact O-N 3.08Å | ||
| 151 | E | 25.6 | Very low | 32.8 | Very low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 63% | 0.631 | S | S | * | * | trans | -66.6 | 96.8 | 167.7 | -80.4 | -171.9 | 158.9 | 0 | 0 | 108.4 | ||||
| 152 | I | 25.4 | Very low | 31.8 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | trans | -93.2 | 107.5 | 170.5 | -54.2 | 174.6 | 0 | 0 | 0 | 107 | K150 F154 | K150-I152 HydrophobicContact CB-CG1 4.39Å; K150-I152 PolarHBondContact O-N 3.08Å; I152-F154 HydrophobicContact CB-CD2 4.12Å; I152-F154 HydrophobicContact CB-CE2 3.68Å; I152-F154 HydrophobicContact CB-CZ 4.28Å; I152-F154 HydrophobicContact CD1-CE2 4.46Å; I152-F154 HydrophobicContact CG2-CD1 4.48Å; I152-F154 HydrophobicContact CG2-CD2 3.78Å; I152-F154 HydrophobicContact CG2-CE1 4.16Å; I152-F154 HydrophobicContact CG2-CE2 3.41Å; I152-F154 VanDerWaalsContact CG2-CE2 3.41Å; I152-F154 HydrophobicContact CG2-CG 4.31Å; I152-F154 HydrophobicContact CG2-CZ 3.62Å; I152-F154 PolarHBondContact O-N 3.47Å; I152-F154 VanDerWaalsContact O-N 3.14Å | ||
| 153 | K | 23.1 | Very low | 30.7 | Very low | 209 Ų | 209 | 136.3 Ų | 136.3 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -65.5 | 103.7 | 165.2 | -78.7 | -179.4 | 177.7 | 176.4 | 0 | 107.6 | S155 | K153-S155 PolarHBondContact O-N 3.44Š| ||
| 154 | F | 25.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 141 Ų | 141 | 64% | 0.64 | 68% | 0.681 | S | S | * | * | trans | -85.7 | 112.1 | 170.8 | -79.1 | -81.1 | 0 | 0 | 0 | 109.8 | I152 | I152-F154 HydrophobicContact CB-CD2 4.12Å; I152-F154 HydrophobicContact CB-CE2 3.68Å; I152-F154 HydrophobicContact CB-CZ 4.28Å; I152-F154 HydrophobicContact CD1-CE2 4.46Å; I152-F154 HydrophobicContact CG2-CD1 4.48Å; I152-F154 HydrophobicContact CG2-CD2 3.78Å; I152-F154 HydrophobicContact CG2-CE1 4.16Å; I152-F154 HydrophobicContact CG2-CE2 3.41Å; I152-F154 VanDerWaalsContact CG2-CE2 3.41Å; I152-F154 HydrophobicContact CG2-CG 4.31Å; I152-F154 HydrophobicContact CG2-CZ 3.62Å; I152-F154 PolarHBondContact O-N 3.47Å; I152-F154 VanDerWaalsContact O-N 3.14Å | ||
| 155 | S | 23 | Very low | 28.5 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | trans | -65.8 | 148.4 | 157 | 60.2 | 0 | 0 | 0 | 0 | 109 | K153 A157 | K153-S155 PolarHBondContact O-N 3.44Å; S155-A157 PolarHBondContact O-N 3.48Å | ||
| 156 | R | 20.9 | Very low | 27.7 | Very low | 261 Ų | 261 | 147.4 Ų | 147.4 | 99% | 0.985 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -70.3 | 85.4 | -175 | -152 | 177.8 | -174.5 | 175.9 | -1.5 | 109 | ||
| 157 | A | 22.3 | Very low | 26.7 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | trans | -139.3 | 108 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S155 | S155-A157 PolarHBondContact O-N 3.48Š| ||
| 158 | Y | 23.9 | Very low | 25.5 | Very low | 222 Ų | 222 | 161.8 Ų | 161.8 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | trans | 35.2 | 111.5 | 149.5 | -62 | -88.4 | 0 | 0 | 0 | 120.1 | K160 | Y158-K160 PolarHBondContact O-N 2.94Š| ||
| 159 | F | 24.3 | Very low | 24.9 | Very low | 188 Ų | 188 | 163.2 Ų | 163.2 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 113.4 | 156.8 | -76.7 | -87.6 | 0 | 0 | 0 | 109.2 | ||||
| 160 | K | 23.3 | Very low | 24.4 | Very low | 118 Ų | 118 | 165 Ų | 165 | 51% | 0.513 | 77% | 0.77 | S | S | . | * | trans | -80.5 | 115.2 | 161.2 | -86 | -176.6 | 177.6 | -179.2 | 0 | 108.4 | Y158 T181 | Y158-K160 PolarHBondContact O-N 2.94Å; K160-T181 PolarHBondContact NZ-OG1 2.83Å | ||
| 161 | T | 22.7 | Very low | 24.2 | Very low | 134 Ų | 134 | 160.7 Ų | 160.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -80.8 | 128.4 | 170.4 | -0.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 162 | Y | 23.8 | Very low | 24.2 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | -101 | 127.9 | 168.8 | -64 | -81.5 | 0 | 0 | 0 | 109.7 | ||||
| 163 | T | 21.9 | Very low | 24.3 | Very low | 130 Ų | 130 | 162.8 Ų | 162.8 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -102.2 | 109.5 | 174.3 | -43.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 164 | V | 24.3 | Very low | 24.5 | Very low | 124 Ų | 124 | 161 Ų | 161 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -95.1 | 108.2 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 165 | K | 23.8 | Very low | 24.6 | Very low | 188 Ų | 188 | 159.4 Ų | 159.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 116.8 | 164.6 | -76 | -177.8 | 175.7 | -179.1 | 0 | 107.7 | ||||
| 166 | R | 27.8 | Very low | 24.8 | Very low | 185 Ų | 185 | 161.8 Ų | 161.8 | 70% | 0.698 | 79% | 0.791 | S | S | * | * | trans | -90.1 | 111.6 | 166.4 | -87.8 | -172.8 | -179 | 170 | -0.3 | 108.9 | ||||
| 167 | N | 24.9 | Very low | 25.1 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -82 | 121.1 | 159.8 | -77.5 | -9.2 | 0 | 0 | 0 | 107.6 | Q169 | N167-Q169 PolarHBondContact O-N 3.34Š| ||
| 168 | W | 25.6 | Very low | 25.3 | Very low | 224 Ų | 224 | 160.1 Ų | 160.1 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -86.1 | 103 | 172.1 | -82.5 | 69.3 | 0 | 0 | 0 | 108.5 | ||||
| 169 | Q | 25.5 | Very low | 25.5 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -134.6 | 143 | 157.6 | -77 | -170.2 | -26.7 | 0 | 0 | 108.9 | N167 | N167-Q169 PolarHBondContact O-N 3.34Š| ||
| 170 | H | 25.2 | Very low | 25.6 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -59.9 | 147.3 | -170.5 | -79.3 | 9.1 | 0 | 0 | 0 | 113.9 | ||
| 171 | G | 25 | Very low | 26.1 | Very low | 61 Ų | 61 | 151.7 Ų | 151.7 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 76.5 | 139.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 172 | D | 26.1 | Very low | 26.6 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 78.7 | 106.5 | 167.1 | -49.7 | -25.9 | 0 | 0 | 0 | 116.4 | E174 | D172-E174 VanDerWaalsContact C-N 3.3Å; D172-E174 PolarHBondContact O-N 3.04Å | ||
| 173 | I | 28.4 | Very low | 26.9 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 89.5 | 165.7 | -60.6 | 172.1 | 0 | 0 | 0 | 106.8 | ||||
| 174 | E | 26.7 | Very low | 27.2 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | trans | -80.5 | 133.8 | 163 | -77.2 | -169 | 155.6 | 0 | 0 | 110.4 | D172 | D172-E174 VanDerWaalsContact C-N 3.3Å; D172-E174 PolarHBondContact O-N 3.04Å | ||
| 175 | S | 27.7 | Very low | 27.4 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -55 | 131.6 | -179.9 | 49 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 176 | I | 27.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 145 Ų | 145 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -90.6 | 109.3 | 174.6 | -60.3 | 173.8 | 0 | 0 | 0 | 109.6 | ||||
| 177 | E | 25.8 | Very low | 27.6 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | -74 | 118.9 | 164.5 | -82.8 | -166.6 | 153 | 0 | 0 | 110.6 | ||||
| 178 | L | 27.1 | Very low | 27.8 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -90.2 | 103.8 | 170.1 | -73.2 | 166.7 | 0 | 0 | 0 | 110 | S180 | L178-S180 PolarHBondContact O-N 2.84Š| ||
| 179 | K | 27.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 138 Ų | 138 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -83.4 | 109.5 | 168.9 | -72.7 | -179 | -179.4 | 173.8 | 0 | 110 | ||||
| 180 | S | 27.7 | Very low | 28 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 48% | 0.483 | 76% | 0.756 | S | S | . | * | trans | -63.6 | 135.8 | 165.1 | 161.4 | 0 | 0 | 0 | 0 | 109.9 | L178 N182 | L178-S180 PolarHBondContact O-N 2.84Å; S180-N182 WeakPolarHBondContact CB-O 3.44Å; S180-N182 PolarHBondContact O-N 3.3Å; S180-N182 VanDerWaalsContact O-N 3.09Å; S180-N182 PolarHBondContact OG-N 3.29Å; S180-N182 PolarHBondContact OG-O 3.28Å | ||
| 181 | T | 32.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -69.8 | 4.9 | 171.5 | 28.8 | 0 | 0 | 0 | 0 | 113.8 | K160 | K160-T181 PolarHBondContact NZ-OG1 2.83Š|
| 182 | N | 33.9 | Very low | 28.2 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -117.8 | 110.8 | 163.7 | -60.3 | 2.6 | 0 | 0 | 0 | 105.9 | S180 T184 | S180-N182 WeakPolarHBondContact CB-O 3.44Å; S180-N182 PolarHBondContact O-N 3.3Å; S180-N182 VanDerWaalsContact O-N 3.09Å; S180-N182 PolarHBondContact OG-N 3.29Å; S180-N182 PolarHBondContact OG-O 3.28Å; N182-T184 VanDerWaalsContact C-N 3.28Å; N182-T184 PolarHBondContact O-N 2.85Å |
| 183 | G | 29.8 | Very low | 28.3 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -66.3 | 64.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 184 | T | 28 | Very low | 28.4 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | -126 | 96.1 | 172.6 | -18.7 | 0 | 0 | 0 | 0 | 109.1 | N182 K186 | N182-T184 VanDerWaalsContact C-N 3.28Å; N182-T184 PolarHBondContact O-N 2.85Å; T184-K186 PolarHBondContact O-N 3.39Å | ||
| 185 | T | 28.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | -79 | 103.6 | 175.9 | -27.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 186 | K | 29.6 | Very low | 28.8 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -102.7 | 108.5 | 165.1 | -99.4 | -173.1 | 174.7 | -176.9 | 0 | 108.6 | T184 V188 | T184-K186 PolarHBondContact O-N 3.39Å; K186-V188 PolarHBondContact O-N 3.32Å | ||
| 187 | K | 27.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 81% | 0.809 | 74% | 0.737 | S | S | * | * | trans | -65.3 | 122.7 | 167 | -75 | -177.3 | 174 | -177 | 0 | 108.4 | ||||
| 188 | V | 28.6 | Very low | 29.1 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | -116.7 | 96.7 | 164.3 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | K186 | K186-V188 PolarHBondContact O-N 3.32Š| ||
| 189 | S | 27.7 | Very low | 29.3 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | trans | -86.6 | 151.5 | 167.7 | 50.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 190 | E | 26 | Very low | 29.6 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 75.2 | 98.1 | 161.5 | -64 | 175.5 | 160.3 | 0 | 0 | 118.7 | ||||
| 191 | Q | 28.9 | Very low | 29.7 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -161.3 | 63.3 | 138 | -112.3 | 178.8 | 14.1 | 0 | 0 | 110.7 | ||||
| 192 | T | 27 | Very low | 29.9 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 71% | 0.71 | S | S | * | * | trans | -115.8 | 72.6 | 175.3 | -31.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 193 | A | 27 | Very low | 29.9 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -152.9 | -7.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 194 | S | 30.3 | Very low | 30.2 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -104.8 | -9.1 | -173.3 | -47 | 0 | 0 | 0 | 0 | 114.8 | ||
| 195 | Q | 32.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 59% | 0.593 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -24 | -173 | -104.9 | 161.7 | -23.1 | 0 | 0 | 114.6 | R197 | Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.04Å |
| 196 | T | 30.6 | Very low | 31 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -12.3 | -169.8 | -14.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 197 | R | 28.2 | Very low | 31.3 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 85% | 0.849 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -27.9 | -176.5 | -130.8 | 177.9 | -176.1 | -180 | 1.8 | 113.4 | Q195 | Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.04Å |
| 198 | E | 32.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 124.8 Ų | 124.8 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -32.7 | 179.3 | -68.7 | -170.6 | 151 | 0 | 0 | 112.7 | K200 F201 L202 | E198-K200 VanDerWaalsContact C-N 3.29Å; E198-K200 PolarHBondContact O-N 3.34Å; E198-F201 PolarHBondContact O-N 3.28Å; E198-L202 PolarHBondContact O-N 3.27Å; E198-L202 VanDerWaalsContact O-N 3.11Å |
| 199 | D | 31.6 | Very low | 31.8 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62 | -34.2 | 177.4 | -77.3 | -20.1 | 0 | 0 | 0 | 112.8 | F201 G203 | D199-F201 VanDerWaalsContact C-N 3.32Å; D199-F201 PolarHBondContact O-N 3.47Å; D199-G203 PolarHBondContact O-N 3.44Å; D199-G203 VanDerWaalsContact O-N 3.13Å |
| 200 | K | 32.9 | Very low | 32 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 70% | 0.704 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.2 | -26.3 | 175 | -73.3 | -175.1 | 178.9 | -179.6 | 0 | 113.3 | E198 K204 | E198-K200 VanDerWaalsContact C-N 3.29Å; E198-K200 PolarHBondContact O-N 3.34Å; K200-K204 WeakPolarHBondContact O-CG 3.31Å |
| 201 | F | 31.3 | Very low | 32.3 | Very low | 142 Ų | 142 | 114.2 Ų | 114.2 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -82.6 | -37.3 | 179.9 | -166.3 | -97.6 | 0 | 0 | 0 | 111.5 | E198 D199 K205 | E198-F201 PolarHBondContact O-N 3.28Å; D199-F201 VanDerWaalsContact C-N 3.32Å; D199-F201 PolarHBondContact O-N 3.47Å; F201-K205 PolarHBondContact O-N 3.4Å |
| 202 | L | 36.3 | Very low | 32.4 | Very low | 53 Ų | 53 | 109.2 Ų | 109.2 | 28% | 0.277 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.9 | -40.8 | 178.7 | -130.1 | 91.4 | 0 | 0 | 0 | 112.4 | G139 E198 K204 K205 L206 | G139-L202 VanDerWaalsContact O-CD2 3.31Å; G139-L202 WeakPolarHBondContact O-CD2 3.31Å; E198-L202 PolarHBondContact O-N 3.27Å; E198-L202 VanDerWaalsContact O-N 3.11Å; L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.35Å; L202-K205 PolarHBondContact O-N 3.39Å; L202-L206 HydrophobicContact CD2-CD1 4.35Å; L202-L206 PolarHBondContact O-N 3.47Å |
| 203 | G | 33.2 | Very low | 32.7 | Very low | 38 Ų | 38 | 108.6 Ų | 108.6 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | D199 Q207 | D199-G203 PolarHBondContact O-N 3.44Å; D199-G203 VanDerWaalsContact O-N 3.13Å; G203-Q207 WeakPolarHBondContact O-CB 3.45Å; G203-Q207 PolarHBondContact O-N 3Å |
| 204 | K | 36.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 106.4 Ų | 106.4 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.2 | -40.2 | 175.4 | -76.7 | -174.8 | 177.7 | -173.3 | 0 | 113.2 | K200 L202 Q208 | K200-K204 WeakPolarHBondContact O-CG 3.31Å; L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.35Å; K204-Q208 VanDerWaalsContact O-CB 3.25Å; K204-Q208 WeakPolarHBondContact O-CB 3.02Å; K204-Q208 PolarHBondContact O-N 2.96Å |
| 205 | K | 37.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 105.4 Ų | 105.4 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73 | -37.4 | 178.9 | -80.9 | -137.4 | 175.2 | -168 | 0 | 113.7 | F201 L202 Q208 C209 | F201-K205 PolarHBondContact O-N 3.4Å; L202-K205 PolarHBondContact O-N 3.39Å; K205-Q208 PolarHBondContact O-N 3.12Å; K205-C209 PolarHBondContact O-N 3Å; K205-C209 PolarHBondContact O-SG 3.47Å |
| 206 | L | 35.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.414 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 174 | -77.4 | 165.8 | 0 | 0 | 0 | 111.2 | L202 Q208 C209 A210 | L202-L206 HydrophobicContact CD2-CD1 4.35Å; L202-L206 PolarHBondContact O-N 3.47Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; L206-Q208 PolarHBondContact O-N 3.2Å; L206-C209 PolarHBondContact O-N 2.84Å; L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 2.03Å |
| 207 | Q | 35.1 | Very low | 32 | Very low | 114 Ų | 114 | 103.6 Ų | 103.6 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 171.5 | -164.4 | 167.4 | 19.7 | 0 | 0 | 111.2 | G203 A210 V211 | G203-Q207 WeakPolarHBondContact O-CB 3.45Å; G203-Q207 PolarHBondContact O-N 3Å; Q207-A210 PolarHBondContact O-N 2.96Å; Q207-V211 HydrophobicContact CG-CG2 4.49Å; Q207-V211 VanDerWaalsContact O-CB 3.29Å; Q207-V211 WeakPolarHBondContact O-CB 3.14Å; Q207-V211 WeakPolarHBondContact O-CG2 3.38Å; Q207-V211 PolarHBondContact O-N 3.2Å |
| 208 | Q | 35.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 99.4 Ų | 99.4 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 174.3 | -153.6 | 169.2 | 22.4 | 0 | 0 | 111.8 | K204 K205 L206 T212 | K204-Q208 VanDerWaalsContact O-CB 3.25Å; K204-Q208 WeakPolarHBondContact O-CB 3.02Å; K204-Q208 PolarHBondContact O-N 2.96Å; K205-Q208 PolarHBondContact O-N 3.12Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; L206-Q208 PolarHBondContact O-N 3.2Å; Q208-T212 VanDerWaalsContact O-CB 3.27Å; Q208-T212 WeakPolarHBondContact O-CB 3.37Å; Q208-T212 PolarHBondContact O-N 3.44Å; Q208-T212 PolarHBondContact O-OG1 3.48Å |
| 209 | C | 32.8 | Very low | 31.4 | Very low | 77 Ų | 77 | 103.9 Ų | 103.9 | 52% | 0.52 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -39.6 | 173.8 | -74.3 | 0 | 0 | 0 | 0 | 112.9 | K205 L206 T212 Q213 | K205-C209 PolarHBondContact O-N 3Å; K205-C209 PolarHBondContact O-SG 3.47Å; L206-C209 PolarHBondContact O-N 2.84Å; C209-T212 PolarHBondContact O-N 2.99Å; C209-Q213 WeakPolarHBondContact O-CG 3.05Å; C209-Q213 PolarHBondContact O-N 2.6Å; C209-Q213 VanDerWaalsContact O-N 3.08Å |
| 210 | A | 32.3 | Very low | 31.1 | Very low | 41 Ų | 41 | 102.2 Ų | 102.2 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L206 Q207 Q213 G214 | L206-A210 WeakPolarHBondContact O-CB 3.34Å; L206-A210 PolarHBondContact O-N 2.03Å; Q207-A210 PolarHBondContact O-N 2.96Å; A210-Q213 PolarHBondContact O-N 3.28Å; A210-G214 PolarHBondContact O-N 3.2Å |
| 211 | V | 30.8 | Very low | 30.6 | Very low | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | Q207 Q213 G214 T215 | Q207-V211 HydrophobicContact CG-CG2 4.49Å; Q207-V211 VanDerWaalsContact O-CB 3.29Å; Q207-V211 WeakPolarHBondContact O-CB 3.14Å; Q207-V211 WeakPolarHBondContact O-CG2 3.38Å; Q207-V211 PolarHBondContact O-N 3.2Å; V211-Q213 VanDerWaalsContact C-N 3.27Å; V211-Q213 PolarHBondContact O-N 3.19Å; V211-G214 PolarHBondContact O-N 3.49Å; V211-T215 HydrophobicContact CG1-CG2 4.12Å; V211-T215 WeakPolarHBondContact O-CB 2.99Å; V211-T215 PolarHBondContact O-N 3.25Å; V211-T215 PolarHBondContact O-OG1 2.92Å |
| 212 | T | 31.8 | Very low | 30.2 | Very low | 84 Ų | 84 | 103 Ų | 103 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -30 | 178.1 | -50.9 | 0 | 0 | 0 | 0 | 112 | Q208 C209 | Q208-T212 VanDerWaalsContact O-CB 3.27Å; Q208-T212 WeakPolarHBondContact O-CB 3.37Å; Q208-T212 PolarHBondContact O-N 3.44Å; Q208-T212 PolarHBondContact O-OG1 3.48Å; C209-T212 PolarHBondContact O-N 2.99Å |
| 213 | Q | 32.4 | Very low | 29.6 | Very low | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.1 | -35.3 | 174.4 | -72.1 | -176.9 | 1 | 0 | 0 | 112.6 | C209 A210 V211 | C209-Q213 WeakPolarHBondContact O-CG 3.05Å; C209-Q213 PolarHBondContact O-N 2.6Å; C209-Q213 VanDerWaalsContact O-N 3.08Å; A210-Q213 PolarHBondContact O-N 3.28Å; V211-Q213 VanDerWaalsContact C-N 3.27Å; V211-Q213 PolarHBondContact O-N 3.19Å |
| 214 | G | 29 | Very low | 29 | Very low | 41 Ų | 41 | 110 Ų | 110 | 42% | 0.423 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -90.9 | -6.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | A210 V211 | A210-G214 PolarHBondContact O-N 3.2Å; V211-G214 PolarHBondContact O-N 3.49Å |
| 215 | T | 28.9 | Very low | 28.5 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -124.1 | -10.1 | -173.7 | 59.6 | 0 | 0 | 0 | 0 | 116.7 | V211 L217 | V211-T215 HydrophobicContact CG1-CG2 4.12Å; V211-T215 WeakPolarHBondContact O-CB 2.99Å; V211-T215 PolarHBondContact O-N 3.25Å; V211-T215 PolarHBondContact O-OG1 2.92Å; T215-L217 PolarHBondContact O-N 3.29Å |
| 216 | G | 24.8 | Very low | 27.8 | Very low | 60 Ų | 60 | 115.3 Ų | 115.3 | 62% | 0.619 | 65% | 0.653 | S | S | * | * | trans | 55.3 | 2.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 217 | L | 24.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | trans | -119.6 | 102.9 | -172.5 | -105.7 | 103.8 | 0 | 0 | 0 | 111 | T215 | T215-L217 PolarHBondContact O-N 3.29Š| ||
| 218 | V | 25.1 | Very low | 26.7 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 83% | 0.83 | 69% | 0.691 | S | S | * | * | trans | -89.7 | 98.5 | 158.7 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 219 | R | 22.5 | Very low | 26.1 | Very low | 242 Ų | 242 | 127.1 Ų | 127.1 | 91% | 0.913 | 71% | 0.706 | S | S | * | * | trans | -130.4 | 105.6 | 160.1 | -115.5 | -175 | -178 | -172.9 | 1.3 | 107.5 | ||||
| 220 | G | 25.1 | Very low | 25.6 | Very low | 63 Ų | 63 | 128.3 Ų | 128.3 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -178.4 | 80.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | T | 21.9 | Very low | 25 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | trans | -34.1 | 122.8 | 163.7 | 27.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 222 | L | 24.1 | Very low | 24.5 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 93% | 0.927 | 75% | 0.753 | S | S | * | * | trans | -131.5 | 119.7 | 158.4 | -78.9 | 169.4 | 0 | 0 | 0 | 109 | ||||
| 223 | S | 22.5 | Very low | 24.1 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -57.6 | 156.2 | -171 | -67.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 224 | P | 21.8 | Very low | 23.6 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -83.8 | 130.4 | -173.1 | 33.3 | -31.5 | 0 | 0 | 0 | 111.7 | ||||
| 225 | H | 24.6 | Very low | 23.2 | Very low | 193 Ų | 193 | 141 Ų | 141 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -113.8 | 137.6 | 156.2 | -100.8 | -78.9 | 0 | 0 | 0 | 110.1 | ||||
| 226 | K | 24.3 | Very low | 22.9 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -56.9 | 154.6 | -155.9 | -77.5 | 171.7 | 172.8 | 177.3 | 0 | 117.5 | ||||
| 227 | P | 22.6 | Very low | 22.8 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -85.8 | 153.2 | -173.1 | 36.3 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 228 | R | 23.6 | Very low | 22.7 | Very low | 251 Ų | 251 | 148.8 Ų | 148.8 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | -137.5 | 126.2 | 154.7 | -153.1 | 175.4 | -177.1 | -173.8 | 0.1 | 109.4 | ||||
| 229 | E | 22.3 | Very low | 22.5 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -68.4 | 135.9 | -169.7 | -61.2 | 165.1 | 150.9 | 0 | 0 | 112.7 | ||||
| 230 | A | 22.3 | Very low | 22.4 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -164 | 113.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 231 | S | 20.3 | Very low | 22.4 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | trans | -55.7 | 138.5 | 175.6 | 165.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 232 | T | 21.4 | Very low | 22.3 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 72% | 0.724 | 82% | 0.819 | S | S | * | * | 174.7 | 129.3 | 115.5 | 26.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 233 | D | 22.3 | Very low | 22.2 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 52.1 | 99.8 | 152.9 | -58.8 | -25.9 | 0 | 0 | 0 | 121.7 | ||||
| 234 | V | 20.9 | Very low | 22.2 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 118.4 | 158.9 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | T236 | V234-T236 PolarHBondContact O-N 3Š| ||
| 235 | P | 21.4 | Very low | 22.2 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -76.3 | 124.3 | 175.6 | 1.1 | 13.1 | 0 | 0 | 0 | 111.8 | ||||
| 236 | T | 22 | Very low | 22.1 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -6.3 | 113 | 146 | 35 | 0 | 0 | 0 | 0 | 117 | V234 | V234-T236 PolarHBondContact O-N 3Š| ||
| 237 | T | 24.2 | Very low | 22 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | 166.6 | 75.1 | 123.7 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 238 | L | 21.6 | Very low | 22 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -106.4 | 87.2 | 160.8 | -152.4 | 116.3 | 0 | 0 | 0 | 106.1 | ||||
| 239 | A | 20.8 | Very low | 22 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | trans | -105.1 | 119.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 240 | N | 21.4 | Very low | 22 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -53.5 | 143.8 | -179 | -63.3 | -43.8 | 0 | 0 | 0 | 114.8 | ||||
| 241 | T | 23.5 | Very low | 22 | Very low | 135 Ų | 135 | 122 Ų | 122 | 83% | 0.828 | 72% | 0.723 | S | S | * | * | trans | -172.7 | 96.8 | 132.6 | -7.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 242 | I | 19.9 | Very low | 22.2 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | 39 | 105.6 | 90 | -48.1 | 177.8 | 0 | 0 | 0 | 113.4 | |||||
| 243 | M | 22.2 | Very low | 22.4 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 67% | 0.665 | 72% | 0.722 | S | S | * | * | trans | -138.9 | 125.6 | 162.5 | -77.6 | -110.5 | -72.5 | 0 | 0 | 109.2 | ||||
| 244 | T | 22 | Very low | 22.4 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -79.1 | 133.7 | 179.8 | -24.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 245 | E | 23.4 | Very low | 22.7 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | trans | -83.5 | 122.1 | 173.8 | -151.9 | 172.2 | -155.8 | 0 | 0 | 108.9 | ||||
| 246 | V | 21.5 | Very low | 22.8 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | -105.4 | 104.7 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 107.4 | V248 | V246-V248 HydrophobicContact CG1-CG2 4.11Å; V246-V248 PolarHBondContact O-N 3.17Å | ||
| 247 | T | 23.4 | Very low | 22.9 | Very low | 106 Ų | 106 | 126 Ų | 126 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | trans | -85.3 | 105.9 | 174.4 | -33.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 248 | V | 21.7 | Very low | 23.1 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -90.1 | 111.3 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | V246 | V246-V248 HydrophobicContact CG1-CG2 4.11Å; V246-V248 PolarHBondContact O-N 3.17Å | ||
| 249 | H | 22.6 | Very low | 23.4 | Very low | 135 Ų | 135 | 121 Ų | 121 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | trans | -95.5 | 126.9 | 164 | -75.3 | 5.9 | 0 | 0 | 0 | 106.9 | L425 | H249-L425 HydrophobicContact CB-CB 4.3Å; H249-L425 HydrophobicContact CB-CD1 3.31Å; H249-L425 HydrophobicContact CB-CD2 3.7Å; H249-L425 HydrophobicContact CB-CG 3.84Å; H249-L425 WeakPolarHBondContact O-CD1 3.36Å | ||
| 250 | G | 22.3 | Very low | 23.9 | Very low | 49 Ų | 49 | 119.4 Ų | 119.4 | 51% | 0.505 | 69% | 0.688 | S | S | . | * | trans | -85.6 | 115.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N252 L425 | G250-N252 PolarHBondContact O-N 3.11Å; G250-L425 WeakPolarHBondContact O-CD2 3.28Å; G250-L425 WeakPolarHBondContact O-CG 3.41Å | ||
| 251 | C | 23.7 | Very low | 24.5 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 52% | 0.52 | 68% | 0.681 | S | S | . | * | trans | -73.4 | 124.4 | 174.2 | -83.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 252 | N | 23.6 | Very low | 24.8 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | -73.9 | 113.6 | 155.5 | -73.1 | -34.5 | 0 | 0 | 0 | 109.5 | G250 | G250-N252 PolarHBondContact O-N 3.11Š| ||
| 253 | K | 25.2 | Very low | 25.3 | Very low | 157 Ų | 157 | 121 Ų | 121 | 68% | 0.683 | 67% | 0.674 | S | S | * | * | trans | 177.8 | 115.4 | 138.3 | -99.4 | 166.4 | -174.5 | -178.6 | 0 | 111.6 | T255 | K253-T255 PolarHBondContact O-N 3.18Å; K253-T255 PolarHBondContact O-OG1 3.22Å | ||
| 254 | E | 24.2 | Very low | 25.7 | Very low | 194 Ų | 194 | 118.5 Ų | 118.5 | 91% | 0.907 | 66% | 0.664 | S | S | * | * | trans | 22.1 | 82.2 | 145.6 | -64.9 | 179.2 | 168.7 | 0 | 0 | 115.7 | ||||
| 255 | T | 25.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 118 Ų | 118 | 80% | 0.798 | 66% | 0.656 | S | S | * | * | trans | -147.7 | 119.3 | 151.5 | 12.8 | 0 | 0 | 0 | 0 | 108.1 | K253 A257 | K253-T255 PolarHBondContact O-N 3.18Å; K253-T255 PolarHBondContact O-OG1 3.22Å; T255-A257 PolarHBondContact O-N 3.2Å; T255-A257 VanDerWaalsContact O-N 3.12Å | ||
| 256 | S | 24.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 114 Ų | 114 | 88% | 0.881 | 65% | 0.646 | S | S | * | * | trans | -52.3 | 105.5 | -176.9 | 54.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 257 | A | 24.1 | Very low | 26.7 | Very low | 91 Ų | 91 | 111 Ų | 111 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | trans | -161.2 | 122 | 163 | 0 | 0 | 0 | 0 | 0 | 112 | T255 | T255-A257 PolarHBondContact O-N 3.2Å; T255-A257 VanDerWaalsContact O-N 3.12Å | ||
| 258 | D | 27.9 | Very low | 27 | Very low | 131 Ų | 131 | 111.3 Ų | 111.3 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | trans | 61.6 | 70.2 | 161.2 | -67.3 | -21.2 | 0 | 0 | 0 | 120.6 | S260 L261 | D258-S260 PolarHBondContact O-N 3.38Å; D258-L261 PolarHBondContact O-N 3.36Å | ||
| 259 | S | 28.8 | Very low | 27.3 | Very low | 77 Ų | 77 | 110.1 Ų | 110.1 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53 | 9.8 | 159.1 | 63.4 | 0 | 0 | 0 | 0 | 117.1 | ||
| 260 | S | 31.2 | Very low | 27.5 | Very low | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -33.4 | 176 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | D258 R263 D264 | D258-S260 PolarHBondContact O-N 3.38Å; S260-R263 PolarHBondContact O-N 3.09Å; S260-D264 WeakPolarHBondContact O-CB 3.27Å; S260-D264 PolarHBondContact O-N 3.24Å |
| 261 | L | 33.1 | Very low | 27.9 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -75.7 | -39.8 | -175.3 | -153.5 | 86.7 | 0 | 0 | 0 | 112.4 | D258 R263 D264 L265 | D258-L261 PolarHBondContact O-N 3.36Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-D264 PolarHBondContact O-N 3.29Å; L261-L265 HydrophobicContact CG-CD1 4.44Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.18Å; L261-L265 PolarHBondContact O-N 3.15Å |
| 262 | E | 30.4 | Very low | 28.2 | Very low | 157 Ų | 157 | 115 Ų | 115 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -32 | 173 | -75 | -177.8 | 151.2 | 0 | 0 | 111.9 | A266 | E262-A266 WeakPolarHBondContact O-CB 3.41Å; E262-A266 PolarHBondContact O-N 2.99Å |
| 263 | R | 30.7 | Very low | 28.3 | Very low | 175 Ų | 175 | 115.4 Ų | 115.4 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.2 | -38.7 | 178.1 | -136.4 | -178.8 | -87.5 | 153.3 | -6.3 | 111.6 | S260 L261 A267 | S260-R263 PolarHBondContact O-N 3.09Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; R263-A267 VanDerWaalsContact O-CB 3.3Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 2.92Å |
| 264 | D | 30 | Very low | 28.3 | Very low | 84 Ų | 84 | 113.6 Ų | 113.6 | 45% | 0.449 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71 | -34.3 | 175.7 | -76 | -7.4 | 0 | 0 | 0 | 112.2 | S260 L261 L268 | S260-D264 WeakPolarHBondContact O-CB 3.27Å; S260-D264 PolarHBondContact O-N 3.24Å; L261-D264 PolarHBondContact O-N 3.29Å; D264-L268 WeakPolarHBondContact O-CG 3.43Å; D264-L268 PolarHBondContact O-N 3.13Å |
| 265 | L | 31.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.1 | -37.7 | 173.7 | -74.1 | 165.3 | 0 | 0 | 0 | 112.5 | L261 L268 C269 | L261-L265 HydrophobicContact CG-CD1 4.44Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.18Å; L261-L265 PolarHBondContact O-N 3.15Å; L265-L268 PolarHBondContact O-N 3.2Å; L265-C269 PolarHBondContact O-N 3.41Å; L265-C269 VanDerWaalsContact O-N 3.07Å; L265-C269 PolarHBondContact O-SG 3.11Å |
| 266 | A | 28.5 | Very low | 28.5 | Very low | 53 Ų | 53 | 115.1 Ų | 115.1 | 44% | 0.438 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.9 | -32.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E262 S270 | E262-A266 WeakPolarHBondContact O-CB 3.41Å; E262-A266 PolarHBondContact O-N 2.99Å; A266-S270 PolarHBondContact O-N 3.22Å; A266-S270 VanDerWaalsContact O-N 3.17Å; A266-S270 PolarHBondContact O-OG 3.31Å |
| 267 | A | 27.5 | Very low | 28.7 | Very low | 47 Ų | 47 | 117.3 Ų | 117.3 | 39% | 0.388 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.2 | -38.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R263 S270 I271 | R263-A267 VanDerWaalsContact O-CB 3.3Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 2.92Å; A267-S270 PolarHBondContact O-N 3.04Å; A267-I271 WeakPolarHBondContact O-CD1 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.49Å; A267-I271 PolarHBondContact O-N 2.89Å |
| 268 | L | 29.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.9 | -34.7 | 176.4 | -71.5 | 166.8 | 0 | 0 | 0 | 112.7 | D264 L265 S270 I271 | D264-L268 WeakPolarHBondContact O-CG 3.43Å; D264-L268 PolarHBondContact O-N 3.13Å; L265-L268 PolarHBondContact O-N 3.2Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.46Å; L268-I271 PolarHBondContact O-N 3.29Å |
| 269 | C | 29.2 | Very low | 28.5 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 68% | 0.676 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70 | -19 | 172.4 | -73.5 | 0 | 0 | 0 | 0 | 114.1 | L265 | L265-C269 PolarHBondContact O-N 3.41Å; L265-C269 VanDerWaalsContact O-N 3.07Å; L265-C269 PolarHBondContact O-SG 3.11Å |
| 270 | S | 27 | Very low | 28.3 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -8.3 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | A266 A267 L268 | A266-S270 PolarHBondContact O-N 3.22Å; A266-S270 VanDerWaalsContact O-N 3.17Å; A266-S270 PolarHBondContact O-OG 3.31Å; A267-S270 PolarHBondContact O-N 3.04Å; L268-S270 VanDerWaalsContact C-N 3.27Å; L268-S270 PolarHBondContact O-N 3.46Å |
| 271 | I | 29.3 | Very low | 28 | Very low | 113 Ų | 113 | 126 Ų | 126 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -12.8 | -175.6 | -69 | 165.4 | 0 | 0 | 0 | 112.3 | A267 L268 | A267-I271 WeakPolarHBondContact O-CD1 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.49Å; A267-I271 PolarHBondContact O-N 2.89Å; L268-I271 PolarHBondContact O-N 3.29Å |
| 272 | E | 29.9 | Very low | 27.6 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -104.5 | 14.4 | 179.7 | -75.5 | -168.9 | 151.1 | 0 | 0 | 115.5 | ||
| 273 | N | 26.9 | Very low | 27.3 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | trans | -106.8 | 35.4 | 173.1 | -102.1 | -5.2 | 0 | 0 | 0 | 113.3 | ||||
| 274 | T | 25.4 | Very low | 27 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | trans | -123.6 | 68.3 | 176.6 | 45.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 275 | E | 27.3 | Very low | 26.7 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -128.3 | 100.3 | 151.8 | -77.3 | -170.7 | 166.1 | 0 | 0 | 108.3 | ||
| 276 | D | 26.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | trans | 50.7 | 84.2 | 155.9 | -68.1 | -29.3 | 0 | 0 | 0 | 119.7 | ||||
| 277 | I | 27.3 | Very low | 26.1 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | trans | -93 | 109.5 | 141 | -61.5 | 176.5 | 0 | 0 | 0 | 106.7 | ||||
| 278 | G | 25.1 | Very low | 26 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | -55.1 | 146.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V280 | G278-V280 PolarHBondContact O-N 3.44Š| ||
| 279 | K | 23.8 | Very low | 25.8 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -32.1 | 125.7 | 171.1 | -68.7 | 174.9 | 171.5 | -173.7 | 0 | 113.8 | ||||
| 280 | V | 25 | Very low | 25.6 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -122.5 | 109.7 | 140.7 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | G278 | G278-V280 PolarHBondContact O-N 3.44Š| ||
| 281 | E | 24.8 | Very low | 25.6 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 140.1 | 175.6 | -134.7 | 164.5 | -147.1 | 0 | 0 | 108.5 | ||||
| 282 | T | 23.2 | Very low | 25.3 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 78.2 | 133.8 | 145.7 | 26.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 283 | L | 25.1 | Very low | 25.1 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 93.2 | 97 | 142.6 | -65.6 | 155.7 | 0 | 0 | 0 | 118.8 | ||||
| 284 | T | 23.5 | Very low | 24.9 | Very low | 114 Ų | 114 | 151.3 Ų | 151.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 25.8 | 129.6 | 126.3 | 39.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 285 | K | 25.2 | Very low | 24.9 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 82.7 | 110.3 | 147.8 | -71.5 | 179.5 | 176.6 | -179 | 0 | 118.4 | ||||
| 286 | I | 23.5 | Very low | 24.9 | Very low | 138 Ų | 138 | 151 Ų | 151 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | 57.7 | 120.1 | 118.4 | -58.5 | 169.9 | 0 | 0 | 0 | 117.8 | |||||
| 287 | E | 23.8 | Very low | 24.7 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 81.9 | 121.7 | 148.9 | -78.4 | 170.1 | 169.4 | 0 | 0 | 122.6 | ||||
| 288 | Q | 25.3 | Very low | 24.8 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 73.9 | 117.3 | 131.8 | -74.7 | -178 | -10.9 | 0 | 0 | 120.9 | ||||
| 289 | D | 24.4 | Very low | 24.7 | Very low | 140 Ų | 140 | 154.2 Ų | 154.2 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 80.3 | 119.8 | 132.5 | -83.6 | 4.3 | 0 | 0 | 0 | 121.4 | ||||
| 290 | S | 24.8 | Very low | 24.9 | Very low | 91 Ų | 91 | 153.2 Ų | 153.2 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | 89.9 | 117.3 | 126.8 | -64.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 291 | Q | 27.6 | Very low | 24.8 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 88.4 | 104.2 | 135.5 | -70.1 | 178.4 | 11.7 | 0 | 0 | 120.2 | ||||
| 292 | T | 24 | Very low | 24.8 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | 42.1 | 117.4 | 124.2 | 7.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 293 | R | 24.9 | Very low | 24.8 | Very low | 253 Ų | 253 | 156.4 Ų | 156.4 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | -168.8 | 154 | 124.3 | -103.2 | 167.2 | -167 | -150.8 | 5.3 | 112.3 | |||||
| 294 | Q | 23.1 | Very low | 24.8 | Very low | 186 Ų | 186 | 156.6 Ų | 156.6 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -92.6 | 177.7 | -165.6 | -104.1 | -124.9 | -14.2 | 0 | 0 | 113 | ||||
| 295 | P | 25.9 | Very low | 24.8 | Very low | 104 Ų | 104 | 157 Ų | 157 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | trans | -100.3 | 161.4 | -143.2 | 40.2 | -36.8 | 0 | 0 | 0 | 115.3 | ||||
| 296 | E | 26.4 | Very low | 24.7 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -129.2 | 142.5 | 163.8 | -93.8 | -175.9 | 157 | 0 | 0 | 112.4 | ||||
| 297 | Q | 23.1 | Very low | 24.7 | Very low | 189 Ų | 189 | 156.8 Ų | 156.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -70.2 | 143 | 178.9 | -69.2 | 169.4 | -57.4 | 0 | 0 | 111.8 | ||||
| 298 | T | 27.8 | Very low | 24.7 | Very low | 143 Ų | 143 | 156 Ų | 156 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -160.6 | 130.6 | 143 | 7.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 299 | T | 24.1 | Very low | 24.6 | Very low | 136 Ų | 136 | 160.2 Ų | 160.2 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | -66.6 | 133.4 | 169.3 | 33.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 300 | L | 27.2 | Very low | 24.6 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -148.3 | 124.8 | 154.4 | -139.5 | 88.4 | 0 | 0 | 0 | 109.8 | ||||
| 301 | E | 22.4 | Very low | 24.5 | Very low | 196 Ų | 196 | 163.1 Ų | 163.1 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -72.1 | 131.6 | 164.2 | -65.1 | 179.5 | 145.2 | 0 | 0 | 108.5 | ||||
| 302 | S | 26.5 | Very low | 24.3 | Very low | 98 Ų | 98 | 158 Ų | 158 | 69% | 0.685 | 84% | 0.838 | S | S | * | * | trans | -141.4 | 117.5 | 163.7 | 41.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 303 | Q | 23.2 | Very low | 24.4 | Very low | 186 Ų | 186 | 164.1 Ų | 164.1 | 87% | 0.869 | 85% | 0.846 | S | S | * | * | trans | -67.6 | 129.9 | 160.4 | -69.4 | 176.2 | -13.7 | 0 | 0 | 107.8 | ||||
| 304 | D | 24.5 | Very low | 24.5 | Very low | 152 Ų | 152 | 161.5 Ų | 161.5 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | trans | -132.1 | 121.8 | 160 | -92.2 | -38.4 | 0 | 0 | 0 | 109.7 | ||||
| 305 | T | 23.5 | Very low | 24.5 | Very low | 124 Ų | 124 | 158.5 Ų | 158.5 | 76% | 0.761 | 84% | 0.842 | S | S | * | * | trans | -102.7 | 113.9 | -179.8 | -27.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 306 | L | 23.7 | Very low | 24.5 | Very low | 161 Ų | 161 | 162.9 Ų | 162.9 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | trans | -109.1 | 105.9 | 174.6 | -105.6 | 148.7 | 0 | 0 | 0 | 109.3 | ||||
| 307 | N | 23.3 | Very low | 24.4 | Very low | 154 Ų | 154 | 158.1 Ų | 158.1 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -76.7 | 125.9 | 168.4 | -81.9 | -26.8 | 0 | 0 | 0 | 109.4 | ||||
| 308 | T | 23.9 | Very low | 24.4 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 87% | 0.871 | 84% | 0.839 | S | S | * | * | trans | -117.8 | 126 | 162.7 | 6.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 309 | R | 22.1 | Very low | 24.4 | Very low | 249 Ų | 249 | 162.1 Ų | 162.1 | 94% | 0.94 | 84% | 0.84 | S | S | * | * | trans | -88.1 | 130.6 | -174.7 | -159.9 | -179.5 | -167.2 | -178.9 | 2.8 | 109 | ||||
| 310 | C | 24.2 | Very low | 24.5 | Very low | 128 Ų | 128 | 160.7 Ų | 160.7 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | trans | -146.1 | 141.7 | 163.3 | -123.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 311 | D | 23.5 | Very low | 24.5 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -55.1 | 138.3 | -154.8 | -70.9 | -52.8 | 0 | 0 | 0 | 118.4 | ||
| 312 | G | 24 | Very low | 24.7 | Very low | 66 Ų | 66 | 163.5 Ų | 163.5 | 68% | 0.68 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 75.9 | 70.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 313 | R | 26 | Very low | 25 | Very low | 254 Ų | 254 | 166.1 Ų | 166.1 | 96% | 0.958 | 84% | 0.839 | S | S | * | * | trans | -177.7 | 132.1 | 131.3 | -99.2 | 169.8 | -144.3 | -151.5 | 6.5 | 110.5 | ||||
| 314 | M | 25.4 | Very low | 25.3 | Very low | 198 Ų | 198 | 161 Ų | 161 | 98% | 0.975 | 84% | 0.835 | S | S | * | * | trans | -65.3 | 148.8 | -172.9 | -98.9 | -173.1 | -112.9 | 0 | 0 | 114.2 | ||||
| 315 | V | 22.9 | Very low | 25.6 | Very low | 124 Ų | 124 | 160.9 Ų | 160.9 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -59.8 | 151.5 | 176 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 316 | E | 26.9 | Very low | 26.1 | Very low | 195 Ų | 195 | 162.8 Ų | 162.8 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | -155 | 134.2 | 127.1 | -110.9 | 170.4 | -151.9 | 0 | 0 | 113.7 | |||||
| 317 | S | 23.7 | Very low | 26.3 | Very low | 96 Ų | 96 | 163.1 Ų | 163.1 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | trans | -74.8 | 148.8 | -172.7 | 47.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 318 | E | 22.8 | Very low | 26.6 | Very low | 180 Ų | 180 | 164.6 Ų | 164.6 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | 28.5 | 118.4 | 141.2 | -147.5 | 175 | -143.5 | 0 | 0 | 118.8 | ||||
| 319 | R | 27.8 | Very low | 26.8 | Very low | 236 Ų | 236 | 164.4 Ų | 164.4 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -168.9 | 125.1 | 135.2 | -103.9 | 157.3 | -158.2 | -152.5 | 7.2 | 115 | ||||
| 320 | S | 26.3 | Very low | 27.3 | Very low | 106 Ų | 106 | 161.6 Ų | 161.6 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | 37.2 | 116.9 | 144.2 | 64.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 321 | F | 27.9 | Very low | 27.6 | Very low | 196 Ų | 196 | 160 Ų | 160 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 116.3 | 160 | -74.6 | -98.5 | 0 | 0 | 0 | 110.7 | ||||
| 322 | R | 27.3 | Very low | 28.1 | Very low | 225 Ų | 225 | 159 Ų | 159 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -123.5 | 130 | 152.2 | -100.2 | -171.4 | 179.9 | -154 | 1.5 | 107.8 | G324 | R322-G324 PolarHBondContact O-N 3.03Š| ||
| 323 | N | 32.9 | Very low | 28.2 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 64.7 | 33.3 | 163 | -61 | 1.5 | 0 | 0 | 0 | 119.5 | E325 | N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact O-N 3.38Å |
| 324 | G | 29.6 | Very low | 28.5 | Very low | 78 Ų | 78 | 155.1 Ų | 155.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 72.5 | 1.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | R322 | R322-G324 PolarHBondContact O-N 3.03Š|
| 325 | E | 30.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | trans | -109.1 | 126.2 | 177.1 | -69 | -177.3 | 161.3 | 0 | 0 | 111.6 | N323 F327 | N323-E325 VanDerWaalsContact C-N 3.28Å; N323-E325 PolarHBondContact O-N 3.38Å; E325-F327 HydrophobicContact CB-CD2 4.39Å; E325-F327 HydrophobicContact CB-CE2 3.77Å; E325-F327 HydrophobicContact CB-CZ 4.4Å | ||
| 326 | K | 32.2 | Very low | 28.8 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -95.9 | 111.2 | 173.3 | -73.8 | -178.9 | -179.1 | 175.1 | 0 | 109 | F328 | K326-F328 HydrophobicContact CB-CE2 4.44Š| ||
| 327 | F | 28.9 | Very low | 28.8 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 74% | 0.737 | 80% | 0.802 | S | S | * | * | trans | -97.9 | 129.8 | 165.7 | -65.1 | -85.6 | 0 | 0 | 0 | 109.4 | E325 | E325-F327 HydrophobicContact CB-CD2 4.39Å; E325-F327 HydrophobicContact CB-CE2 3.77Å; E325-F327 HydrophobicContact CB-CZ 4.4Å | ||
| 328 | F | 30.2 | Very low | 28.9 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -101.2 | 107.1 | 170 | -67.4 | -86.5 | 0 | 0 | 0 | 108.5 | K326 | K326-F328 HydrophobicContact CB-CE2 4.44Š| ||
| 329 | V | 28.4 | Very low | 29.2 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 112.5 | 166.6 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 330 | K | 31.3 | Very low | 29 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -81.3 | 128.1 | 166.2 | -91.9 | -177.9 | 176.2 | 176.8 | 0 | 108.5 | N332 | K330-N332 PolarHBondContact O-N 2.89Š| ||
| 331 | A | 30 | Very low | 28.9 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -59.7 | 101.2 | 162 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 332 | N | 34.1 | Very low | 28.7 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 158.2 | 98.3 | 158.3 | -77.8 | -6.2 | 0 | 0 | 0 | 106.1 | K330 I334 | K330-N332 PolarHBondContact O-N 2.89Å; N332-I334 VanDerWaalsContact C-N 3.26Å; N332-I334 PolarHBondContact O-N 2.94Å |
| 333 | G | 27.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -63.4 | 65.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 334 | I | 31.4 | Very low | 28 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | trans | -126.3 | 99.1 | 169 | -51.6 | 177.9 | 0 | 0 | 0 | 107.7 | N332 | N332-I334 VanDerWaalsContact C-N 3.26Å; N332-I334 PolarHBondContact O-N 2.94Å | ||
| 335 | T | 25 | Very low | 27.7 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -75.3 | 118 | 164.7 | 32.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 336 | S | 29.5 | Very low | 27.5 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -135.5 | 126.4 | 160 | 58.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 337 | L | 27.6 | Very low | 27.5 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -56.6 | 159.9 | -172.7 | -105.7 | 82.2 | 0 | 0 | 0 | 114.4 | ||||
| 338 | P | 25.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -87.7 | 124.3 | -174.3 | 34.3 | -29 | 0 | 0 | 0 | 111.9 | ||||
| 339 | E | 28.5 | Very low | 27.7 | Very low | 191 Ų | 191 | 146.2 Ų | 146.2 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -90.7 | 113.3 | 163 | -83.5 | -175.8 | 157.9 | 0 | 0 | 110.5 | ||||
| 340 | N | 24 | Very low | 28.1 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | 17.9 | 102.9 | 154.9 | -76.1 | -22.7 | 0 | 0 | 0 | 118 | ||||
| 341 | C | 24.3 | Very low | 28.2 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -121.9 | 107.6 | 159.8 | -151.4 | 0 | 0 | 0 | 0 | 109.6 | C343 | C341-C343 PolarHBondContact O-N 3.5Š| ||
| 342 | C | 24.1 | Very low | 28.7 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 90% | 0.899 | 82% | 0.821 | S | S | * | * | trans | -57.1 | 130.4 | 172.6 | -82.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 343 | C | 21.9 | Very low | 29.3 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 75% | 0.75 | 83% | 0.828 | S | S | * | * | trans | -72.3 | 127.3 | 179.3 | -30.6 | 0 | 0 | 0 | 0 | 110.2 | C341 | C341-C343 PolarHBondContact O-N 3.5Š| ||
| 344 | N | 23.9 | Very low | 30 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -129.6 | 109.7 | 148.3 | -91.9 | -24.3 | 0 | 0 | 0 | 108.3 | L346 | N344-L346 PolarHBondContact O-N 3.47Š| ||
| 345 | T | 23.7 | Very low | 30.4 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -64.8 | 109.5 | -175.4 | 38.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 346 | L | 26.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -140.4 | 105.1 | 160.3 | -80.7 | 169.2 | 0 | 0 | 0 | 110 | N344 | N344-L346 PolarHBondContact O-N 3.47Š| ||
| 347 | N | 31 | Very low | 31.8 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | 11.6 | 105.2 | 166.7 | -75.2 | -27.7 | 0 | 0 | 0 | 118.3 | E349 | N347-E349 PolarHBondContact O-N 2.74Š| ||
| 348 | E | 27.3 | Very low | 32.7 | Very low | 192 Ų | 192 | 142 Ų | 142 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 108.5 | 161.8 | -63.7 | 179.2 | 148.7 | 0 | 0 | 110.9 | ||||
| 349 | E | 36.4 | Very low | 33.6 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -166.8 | 108.3 | 150.5 | -108.2 | 171.6 | -159.8 | 0 | 0 | 109.3 | N347 | N347-E349 PolarHBondContact O-N 2.74Š|
| 350 | Q | 36.8 | Very low | 34.2 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | 85 | 45.9 | 168.7 | -52.6 | -178.3 | -2.8 | 0 | 0 | 119.6 | ||||
| 351 | K | 34.4 | Very low | 35.4 | Very low | 208 Ų | 208 | 132.4 Ų | 132.4 | 90% | 0.904 | 72% | 0.721 | S | S | * | * | trans | -82.9 | 124.4 | 154.7 | -72.8 | -176.9 | 178.1 | 179 | 0 | 109.1 | ||||
| 352 | C | 39.7 | Very low | 36.6 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 42% | 0.419 | 69% | 0.692 | S | S | . | * | trans | -69.6 | 148.7 | 166.4 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | C354 C362 | C352-C354 HydrophobicContact CB-CB 3.9Å; C352-C354 WeakPolarHBondContact CB-SG 3.43Å; C352-C354 PolarHBondContact O-N 3.31Å; C352-C354 WeakPolarHBondContact SG-CB 3.31Å; C352-C354 PolarHBondContact SG-N 3.31Å; C352-C354 CovalentContact SG-SG 2.03Å; C352-C354 PolarHBondContact SG-SG 2.92Å; C352-C362 HydrophobicContact CB-CB 3.51Å; C352-C362 WeakPolarHBondContact CB-SG 3.47Å | ||
| 353 | D | 45.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 67% | 0.666 | S | S | * | * | trans | -69.1 | 21.6 | 167.7 | -79 | -28.1 | 0 | 0 | 0 | 114 | R355 | D353-R355 PolarHBondContact O-N 3.3Š| ||
| 354 | C | 43.8 | Very low | 38.9 | Very low | 21 Ų | 21 | 119.5 Ų | 119.5 | 14% | 0.142 | 64% | 0.635 | C | S | . | * | trans | -70.9 | 115.7 | -179.3 | -60.6 | 0 | 0 | 0 | 0 | 109.4 | C352 P356 H366 | C352-C354 HydrophobicContact CB-CB 3.9Å; C352-C354 WeakPolarHBondContact CB-SG 3.43Å; C352-C354 PolarHBondContact O-N 3.31Å; C352-C354 WeakPolarHBondContact SG-CB 3.31Å; C352-C354 PolarHBondContact SG-N 3.31Å; C352-C354 CovalentContact SG-SG 2.03Å; C352-C354 PolarHBondContact SG-SG 2.92Å; C354-P356 CarbonylContact O-C 3.37Å; C354-H366 WeakPolarHBondContact CB-NE2 3.42Å; C354-H366 PolarHBondContact SG-NE2 3.29Å | ||
| 355 | R | 38.5 | Very low | 40 | Very low | 239 Ų | 239 | 112.3 Ų | 112.3 | 90% | 0.902 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -104.8 | 130.5 | 168.5 | -74 | -173.6 | 177.7 | -167.6 | -1.5 | 109.2 | D353 | D353-R355 PolarHBondContact O-N 3.3Š|
| 356 | P | 43.7 | Very low | 41.2 | Very low | 94 Ų | 94 | 109.4 Ų | 109.4 | 61% | 0.61 | 58% | 0.576 | S | S | * | * | S | Bend | cis | -72.5 | 150.4 | 1.4 | 29.3 | -32.9 | 0 | 0 | 0 | 113 | C354 H358 | C354-P356 CarbonylContact O-C 3.37Å; P356-H358 PolarHBondContact O-CD2 2.83Å; P356-H358 VanDerWaalsContact O-CD2 3.3Å; P356-H358 PolarHBondContact O-N 3.36Å; P356-H358 VanDerWaalsContact O-N 3.08Å; P356-H358 PolarHBondContact O-NE2 3.18Å |
| 357 | C | 40 | Very low | 42.1 | Very low | 121 Ų | 121 | 105.8 Ų | 105.8 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -60.3 | 113.3 | 172.9 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 358 | H | 48.1 | Very low | 42.7 | Very low | 72 Ų | 72 | 101.9 Ų | 101.9 | 33% | 0.333 | 55% | 0.546 | S | S | . | . | trans | -80.7 | 147.3 | 176.5 | -55.1 | -68.4 | 0 | 0 | 0 | 110.3 | P356 E360 A365 H366 | P356-H358 PolarHBondContact O-CD2 2.83Å; P356-H358 VanDerWaalsContact O-CD2 3.3Å; P356-H358 PolarHBondContact O-N 3.36Å; P356-H358 VanDerWaalsContact O-N 3.08Å; P356-H358 PolarHBondContact O-NE2 3.18Å; H358-E360 PolarHBondContact O-N 2.71Å; H358-A365 HydrophobicContact CB-CB 3.78Å; H358-A365 VanDerWaalsContact CD2-CB 3.43Å; H358-A365 WeakPolarHBondContact CD2-CB 3.16Å; H358-H366 AromaticContact NE2-CE1 3.79Å | ||
| 359 | S | 44.4 | Very low | 43.8 | Very low | 126 Ų | 126 | 95.8 Ų | 95.8 | 88% | 0.881 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -66.8 | -18.5 | 167.9 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 360 | E | 40.2 | Very low | 44.4 | Very low | 69 Ų | 69 | 87.9 Ų | 87.9 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -98.2 | 153.1 | -178.8 | -65.4 | -179.1 | -179.1 | 0 | 0 | 112.4 | H358 C362 R373 | H358-E360 PolarHBondContact O-N 2.71Å; E360-C362 PolarHBondContact O-N 3.46Å; E360-R373 IonicContact OE1-NH1 3.56Å; E360-R373 IonicContact OE2-CZ 3.84Å; E360-R373 IonicContact OE2-NH1 2.71Å; E360-R373 PolarHBondContact OE2-NH1 3Å |
| 361 | P | 49 | Very low | 45.1 | Very low | 79 Ų | 79 | 87.9 Ų | 87.9 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | trans | -52.7 | 133.8 | 170.1 | -21.3 | 30.9 | 0 | 0 | 0 | 110.5 | A363 I364 A365 | P361-A363 PolarHBondContact O-N 2.89Å; P361-I364 HydrophobicContact CB-CD1 4.47Å; P361-I364 HydrophobicContact CG-CD1 4.21Å; P361-I364 PolarHBondContact O-N 3.48Å; P361-A365 PolarHBondContact O-N 3.45Å | ||
| 362 | C | 49.3 | Very low | 45.8 | Very low | 34 Ų | 34 | 81.8 Ų | 81.8 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61 | -21.6 | -174.3 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | C352 E360 I364 H366 | C352-C362 HydrophobicContact CB-CB 3.51Å; C352-C362 WeakPolarHBondContact CB-SG 3.47Å; E360-C362 PolarHBondContact O-N 3.46Å; C362-I364 PolarHBondContact O-N 3.08Å; C362-H366 PolarHBondContact O-CD2 2.89Å; C362-H366 PolarHBondContact O-N 3.28Å |
| 363 | A | 46.4 | Very low | 46.5 | Very low | 43 Ų | 43 | 83 Ų | 83 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -24.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F64 P361 F369 | F64-A363 HydrophobicContact CE2-CB 4.33Å; F64-A363 HydrophobicContact CZ-CB 4.47Å; P361-A363 PolarHBondContact O-N 2.89Å; A363-F369 WeakPolarHBondContact O-CD2 3.49Å; A363-F369 WeakPolarHBondContact O-CG 3.43Å |
| 364 | I | 47.5 | Very low | 46.9 | Very low | 21 Ų | 21 | 78.9 Ų | 78.9 | 11% | 0.108 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -100.6 | -35.8 | 179.4 | -59.7 | 168.6 | 0 | 0 | 0 | 110.6 | T66 I69 P361 C362 H366 A370 | T66-I364 HydrophobicContact CG2-CD1 4.45Å; I69-I364 HydrophobicContact CD1-CD1 4.29Å; I69-I364 HydrophobicContact CD1-CG1 3.89Å; P361-I364 HydrophobicContact CB-CD1 4.47Å; P361-I364 HydrophobicContact CG-CD1 4.21Å; P361-I364 PolarHBondContact O-N 3.48Å; C362-I364 PolarHBondContact O-N 3.08Å; I364-H366 PolarHBondContact O-N 3.32Å; I364-A370 PolarHBondContact O-N 3.34Å |
| 365 | A | 48.9 | Very low | 47.1 | Very low | 15 Ų | 15 | 85.5 Ų | 85.5 | 12% | 0.124 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.8 | -17.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H358 P361 | H358-A365 HydrophobicContact CB-CB 3.78Å; H358-A365 VanDerWaalsContact CD2-CB 3.43Å; H358-A365 WeakPolarHBondContact CD2-CB 3.16Å; P361-A365 PolarHBondContact O-N 3.45Å |
| 366 | H | 47.3 | Very low | 47.7 | Very low | 73 Ų | 73 | 77.7 Ų | 77.7 | 34% | 0.338 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -106.7 | 152.8 | 179.6 | -66.9 | -60.5 | 0 | 0 | 0 | 113 | C354 H358 C362 I364 F369 A370 | C354-H366 WeakPolarHBondContact CB-NE2 3.42Å; C354-H366 PolarHBondContact SG-NE2 3.29Å; H358-H366 AromaticContact NE2-CE1 3.79Å; C362-H366 PolarHBondContact O-CD2 2.89Å; C362-H366 PolarHBondContact O-N 3.28Å; I364-H366 PolarHBondContact O-N 3.32Å; H366-F369 PolarHBondContact O-N 3.47Å; H366-A370 PolarHBondContact O-N 2.69Å; H366-A370 VanDerWaalsContact O-N 3.11Å |
| 367 | P | 45.9 | Very low | 47.7 | Very low | 91 Ų | 91 | 75 Ų | 75 | 59% | 0.591 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 147.8 | 168 | -24.1 | 34.1 | 0 | 0 | 0 | 112.1 | ||
| 368 | P | 42.5 | Very low | 48 | Very low | 82 Ų | 82 | 72.8 Ų | 72.8 | 53% | 0.532 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -79.7 | -14.8 | 3 | 31.9 | -35 | 0 | 0 | 0 | 114.1 | A370 K371 L372 | P368-A370 PolarHBondContact O-N 3.37Å; P368-K371 WeakPolarHBondContact O-CB 3.49Å; P368-K371 PolarHBondContact O-N 2.62Å; P368-K371 VanDerWaalsContact O-N 3.09Å; P368-L372 PolarHBondContact O-N 2.82Å |
| 369 | F | 50.7 | Low | 47.7 | Very low | 65 Ų | 65 | 73.5 Ų | 73.5 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | -170.7 | -59 | -73.6 | 0 | 0 | 0 | 113.8 | I69 A363 H366 K371 L372 R373 | I69-F369 HydrophobicContact CG2-CD1 4.24Å; I69-F369 HydrophobicContact CG2-CE1 4.03Å; A363-F369 WeakPolarHBondContact O-CD2 3.49Å; A363-F369 WeakPolarHBondContact O-CG 3.43Å; H366-F369 PolarHBondContact O-N 3.47Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 2.97Å; F369-L372 PolarHBondContact O-N 3.28Å; F369-R373 WeakPolarHBondContact O-CB 3.5Å; F369-R373 PolarHBondContact O-N 2.94Å |
| 370 | A | 50.1 | Low | 47.6 | Very low | 13 Ų | 13 | 70.3 Ų | 70.3 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I364 H366 P368 R373 D374 | I364-A370 PolarHBondContact O-N 3.34Å; H366-A370 PolarHBondContact O-N 2.69Å; H366-A370 VanDerWaalsContact O-N 3.11Å; P368-A370 PolarHBondContact O-N 3.37Å; A370-R373 PolarHBondContact O-N 3.3Å; A370-D374 WeakPolarHBondContact O-CB 3.39Å; A370-D374 PolarHBondContact O-N 2.82Å |
| 371 | K | 50.6 | Low | 47.6 | Very low | 148 Ų | 148 | 72.6 Ų | 72.6 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.4 | -37.3 | 178.4 | -68.5 | -175 | 176.2 | -178 | 0 | 112.2 | P368 F369 R375 | P368-K371 WeakPolarHBondContact O-CB 3.49Å; P368-K371 PolarHBondContact O-N 2.62Å; P368-K371 VanDerWaalsContact O-N 3.09Å; F369-K371 VanDerWaalsContact C-N 3.3Å; F369-K371 PolarHBondContact O-N 2.97Å; K371-R375 WeakPolarHBondContact O-CB 3.37Å; K371-R375 PolarHBondContact O-N 2.82Å |
| 372 | L | 48.6 | Very low | 47.5 | Very low | 80 Ų | 80 | 75.4 Ų | 75.4 | 42% | 0.419 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.7 | -104.5 | 153.3 | 0 | 0 | 0 | 111.1 | P368 F369 D374 R375 V376 | P368-L372 PolarHBondContact O-N 2.82Å; F369-L372 PolarHBondContact O-N 3.28Å; L372-D374 VanDerWaalsContact C-N 3.35Å; L372-D374 PolarHBondContact O-N 2.56Å; L372-R375 PolarHBondContact O-N 2.86Å; L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.27Å; L372-V376 PolarHBondContact O-N 2.92Å |
| 373 | R | 56.1 | Low | 47.2 | Very low | 88 Ų | 88 | 80.7 Ų | 80.7 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -56.2 | -48.1 | 175.1 | -178.3 | -156.8 | 64.2 | -157.8 | -6.2 | 111.3 | E360 F369 A370 R375 V376 G377 | E360-R373 IonicContact OE1-NH1 3.56Å; E360-R373 IonicContact OE2-CZ 3.84Å; E360-R373 IonicContact OE2-NH1 2.71Å; E360-R373 PolarHBondContact OE2-NH1 3Å; F369-R373 WeakPolarHBondContact O-CB 3.5Å; F369-R373 PolarHBondContact O-N 2.94Å; A370-R373 PolarHBondContact O-N 3.3Å; R373-R375 VanDerWaalsContact C-N 3.35Å; R373-R375 PolarHBondContact O-N 3.48Å; R373-V376 PolarHBondContact O-N 2.91Å; R373-G377 PolarHBondContact O-N 3.44Å |
| 374 | D | 53.1 | Low | 46.6 | Very low | 82 Ų | 82 | 81.9 Ų | 81.9 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | -178.3 | -65.6 | -11.7 | 0 | 0 | 0 | 111.8 | A370 L372 T378 | A370-D374 WeakPolarHBondContact O-CB 3.39Å; A370-D374 PolarHBondContact O-N 2.82Å; L372-D374 VanDerWaalsContact C-N 3.35Å; L372-D374 PolarHBondContact O-N 2.56Å; D374-T378 WeakPolarHBondContact O-CB 3.42Å; D374-T378 PolarHBondContact O-N 3.31Å; D374-T378 PolarHBondContact O-OG1 3.27Å |
| 375 | R | 49 | Very low | 46 | Very low | 161 Ų | 161 | 84.9 Ų | 84.9 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 172.6 | -85.9 | 180 | 157.6 | -176.9 | -7.1 | 112.3 | K371 L372 R373 T378 L379 | K371-R375 WeakPolarHBondContact O-CB 3.37Å; K371-R375 PolarHBondContact O-N 2.82Å; L372-R375 PolarHBondContact O-N 2.86Å; R373-R375 VanDerWaalsContact C-N 3.35Å; R373-R375 PolarHBondContact O-N 3.48Å; R375-T378 PolarHBondContact O-N 3.09Å; R375-L379 WeakPolarHBondContact O-CG 3.29Å; R375-L379 PolarHBondContact O-N 3.39Å |
| 376 | V | 50.4 | Low | 45.2 | Very low | 75 Ų | 75 | 91.1 Ų | 91.1 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L372 R373 T378 L379 L380 | L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.27Å; L372-V376 PolarHBondContact O-N 2.92Å; R373-V376 PolarHBondContact O-N 2.91Å; V376-T378 VanDerWaalsContact C-N 3.34Å; V376-T378 PolarHBondContact O-N 2.92Å; V376-L379 PolarHBondContact O-N 3.08Å; V376-L380 HydrophobicContact CG1-CD1 3.91Å; V376-L380 HydrophobicContact CG1-CG 4.4Å; V376-L380 WeakPolarHBondContact O-CB 3.25Å; V376-L380 WeakPolarHBondContact O-CG 3.13Å; V376-L380 PolarHBondContact O-N 2.86Å |
| 377 | G | 44 | Very low | 44.3 | Very low | 38 Ų | 38 | 92.1 Ų | 92.1 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R373 L380 F381 | R373-G377 PolarHBondContact O-N 3.44Å; G377-L380 PolarHBondContact O-N 3.34Å; G377-F381 WeakPolarHBondContact O-CB 3.48Å; G377-F381 PolarHBondContact O-N 3.39Å |
| 378 | T | 46.7 | Very low | 43.6 | Very low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | D374 R375 V376 F381 Q382 | D374-T378 WeakPolarHBondContact O-CB 3.42Å; D374-T378 PolarHBondContact O-N 3.31Å; D374-T378 PolarHBondContact O-OG1 3.27Å; R375-T378 PolarHBondContact O-N 3.09Å; V376-T378 VanDerWaalsContact C-N 3.34Å; V376-T378 PolarHBondContact O-N 2.92Å; T378-F381 PolarHBondContact O-N 3.23Å; T378-Q382 HydrophobicContact CG2-CG 4.44Å; T378-Q382 WeakPolarHBondContact O-CB 3.39Å; T378-Q382 VanDerWaalsContact O-CG 3.31Å; T378-Q382 WeakPolarHBondContact O-CG 3.47Å; T378-Q382 PolarHBondContact O-N 3.45Å |
| 379 | L | 42 | Very low | 43 | Very low | 86 Ų | 86 | 93.5 Ų | 93.5 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.4 | -75.3 | 165.9 | 0 | 0 | 0 | 111.5 | R375 V376 F381 Q382 H383 | R375-L379 WeakPolarHBondContact O-CG 3.29Å; R375-L379 PolarHBondContact O-N 3.39Å; V376-L379 PolarHBondContact O-N 3.08Å; L379-F381 VanDerWaalsContact C-N 3.26Å; L379-F381 PolarHBondContact O-N 2.93Å; L379-Q382 PolarHBondContact O-N 3.38Å; L379-H383 WeakPolarHBondContact O-CB 3.33Å; L379-H383 PolarHBondContact O-CD2 3.13Å; L379-H383 PolarHBondContact O-N 2.73Å |
| 380 | L | 40.7 | Very low | 42 | Very low | 60 Ų | 60 | 97 Ų | 97 | 31% | 0.314 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -34 | 177.1 | -72 | 170.2 | 0 | 0 | 0 | 112.4 | V376 G377 C385 Y386 | V376-L380 HydrophobicContact CG1-CD1 3.91Å; V376-L380 HydrophobicContact CG1-CG 4.4Å; V376-L380 WeakPolarHBondContact O-CB 3.25Å; V376-L380 WeakPolarHBondContact O-CG 3.13Å; V376-L380 PolarHBondContact O-N 2.86Å; G377-L380 PolarHBondContact O-N 3.34Å; L380-C385 HydrophobicContact CD2-CB 4.29Å; L380-C385 PolarHBondContact O-N 2.96Å; L380-Y386 HydrophobicContact CB-CD2 4.22Å; L380-Y386 HydrophobicContact CD1-CD2 4.3Å; L380-Y386 HydrophobicContact CD1-CE2 4.46Å; L380-Y386 PolarHBondContact O-N 3.34Å |
| 381 | F | 41 | Very low | 41 | Very low | 116 Ų | 116 | 102 Ų | 102 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.6 | -45.3 | 173.7 | -173.3 | -96.7 | 0 | 0 | 0 | 111.9 | G377 T378 L379 H383 G384 Y386 | G377-F381 WeakPolarHBondContact O-CB 3.48Å; G377-F381 PolarHBondContact O-N 3.39Å; T378-F381 PolarHBondContact O-N 3.23Å; L379-F381 VanDerWaalsContact C-N 3.26Å; L379-F381 PolarHBondContact O-N 2.93Å; F381-H383 VanDerWaalsContact C-N 3.3Å; F381-H383 PolarHBondContact O-N 3.42Å; F381-G384 PolarHBondContact O-N 3.39Å; F381-G384 VanDerWaalsContact O-N 3.13Å; F381-Y386 VanDerWaalsContact CD2-O 3.28Å; F381-Y386 WeakPolarHBondContact CD2-O 3.31Å |
| 382 | Q | 45.9 | Very low | 39.9 | Very low | 139 Ų | 139 | 100 Ų | 100 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -33.9 | 177 | -77.4 | 176.3 | -19 | 0 | 0 | 112.9 | T378 L379 G384 | T378-Q382 HydrophobicContact CG2-CG 4.44Å; T378-Q382 WeakPolarHBondContact O-CB 3.39Å; T378-Q382 VanDerWaalsContact O-CG 3.31Å; T378-Q382 WeakPolarHBondContact O-CG 3.47Å; T378-Q382 PolarHBondContact O-N 3.45Å; L379-Q382 PolarHBondContact O-N 3.38Å; Q382-G384 VanDerWaalsContact C-N 3.26Å; Q382-G384 PolarHBondContact O-N 3.49Å |
| 383 | H | 42.9 | Very low | 38.9 | Very low | 144 Ų | 144 | 101.9 Ų | 101.9 | 67% | 0.667 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 7.8 | 176.8 | -71.6 | -67.3 | 0 | 0 | 0 | 114.1 | L379 F381 C385 | L379-H383 WeakPolarHBondContact O-CB 3.33Å; L379-H383 PolarHBondContact O-CD2 3.13Å; L379-H383 PolarHBondContact O-N 2.73Å; F381-H383 VanDerWaalsContact C-N 3.3Å; F381-H383 PolarHBondContact O-N 3.42Å; H383-C385 PolarHBondContact O-N 3.31Å; H383-C385 PolarHBondContact O-SG 3.45Å |
| 384 | G | 33.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 104.3 Ų | 104.3 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 14.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F381 Q382 | F381-G384 PolarHBondContact O-N 3.39Å; F381-G384 VanDerWaalsContact O-N 3.13Å; Q382-G384 VanDerWaalsContact C-N 3.26Å; Q382-G384 PolarHBondContact O-N 3.49Å |
| 385 | C | 35.3 | Very low | 36.4 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 57% | 0.568 | 62% | 0.617 | S | S | * | * | trans | -93 | -4.3 | -175.3 | -62.8 | 0 | 0 | 0 | 0 | 113.9 | L380 H383 | L380-C385 HydrophobicContact CD2-CB 4.29Å; L380-C385 PolarHBondContact O-N 2.96Å; H383-C385 PolarHBondContact O-N 3.31Å; H383-C385 PolarHBondContact O-SG 3.45Å | ||
| 386 | Y | 32.2 | Very low | 35.3 | Very low | 146 Ų | 146 | 104.8 Ų | 104.8 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | trans | -144.4 | 126.5 | 174.7 | -101.5 | -92.1 | 0 | 0 | 0 | 111.6 | L380 F381 | L380-Y386 HydrophobicContact CB-CD2 4.22Å; L380-Y386 HydrophobicContact CD1-CD2 4.3Å; L380-Y386 HydrophobicContact CD1-CE2 4.46Å; L380-Y386 PolarHBondContact O-N 3.34Å; F381-Y386 VanDerWaalsContact CD2-O 3.28Å; F381-Y386 WeakPolarHBondContact CD2-O 3.31Å | ||
| 387 | A | 29.7 | Very low | 34.4 | Very low | 93 Ų | 93 | 110.8 Ų | 110.8 | 77% | 0.769 | 65% | 0.646 | S | S | * | * | trans | -77.8 | 124.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | V389 | A387-V389 PolarHBondContact O-N 3.5Š| ||
| 388 | S | 31.2 | Very low | 33.6 | Very low | 68 Ų | 68 | 118 Ų | 118 | 48% | 0.476 | 67% | 0.67 | S | S | . | * | trans | -59.4 | 135.3 | -174 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | L390 | S388-L390 PolarHBondContact O-N 3.47Š| ||
| 389 | V | 29.7 | Very low | 32.7 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -75.3 | 111.3 | 153.1 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | A387 S391 | A387-V389 PolarHBondContact O-N 3.5Å; V389-S391 PolarHBondContact O-N 2.89Å | ||
| 390 | L | 28.8 | Very low | 31.9 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | trans | -58.7 | 110.2 | 166.8 | -97.7 | 104.3 | 0 | 0 | 0 | 108 | S388 T392 | S388-L390 PolarHBondContact O-N 3.47Å; L390-T392 VanDerWaalsContact C-N 3.28Å; L390-T392 PolarHBondContact O-N 3.13Å; L390-T392 VanDerWaalsContact O-N 3.11Å | ||
| 391 | S | 29.5 | Very low | 31.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -79.2 | 82.7 | 165 | 31.3 | 0 | 0 | 0 | 0 | 107.9 | V389 | V389-S391 PolarHBondContact O-N 2.89Š| ||
| 392 | T | 28 | Very low | 30.5 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 64% | 0.638 | 75% | 0.747 | S | S | * | * | trans | -71.5 | 131.8 | 166.3 | 11.6 | 0 | 0 | 0 | 0 | 109.1 | L390 V394 | L390-T392 VanDerWaalsContact C-N 3.28Å; L390-T392 PolarHBondContact O-N 3.13Å; L390-T392 VanDerWaalsContact O-N 3.11Å; T392-V394 PolarHBondContact O-N 3.11Å; T392-V394 VanDerWaalsContact O-N 3.13Å | ||
| 393 | P | 26.7 | Very low | 29.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -71.6 | 110.7 | 179.6 | 29.4 | -31 | 0 | 0 | 0 | 108.3 | S395 | P393-S395 VanDerWaalsContact C-N 3.29Å; P393-S395 PolarHBondContact O-N 3.04Å | ||
| 394 | V | 29.5 | Very low | 28.8 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -76.1 | 90.2 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | T392 | T392-V394 PolarHBondContact O-N 3.11Å; T392-V394 VanDerWaalsContact O-N 3.13Å | ||
| 395 | S | 27.4 | Very low | 28.4 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -50.9 | 133.7 | 156 | 164.7 | 0 | 0 | 0 | 0 | 109.8 | P393 K397 | P393-S395 VanDerWaalsContact C-N 3.29Å; P393-S395 PolarHBondContact O-N 3.04Å; S395-K397 PolarHBondContact O-N 3.36Å | ||
| 396 | N | 26.9 | Very low | 27.9 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -40.8 | 116.6 | 171.3 | -67.2 | -32.6 | 0 | 0 | 0 | 112.3 | ||
| 397 | K | 30.4 | Very low | 27.6 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | -178.8 | 133.2 | 134.1 | -98.2 | 161.4 | -173.3 | -173.7 | 0 | 110.4 | S395 T399 | S395-K397 PolarHBondContact O-N 3.36Å; K397-T399 PolarHBondContact O-N 3.47Å | ||
| 398 | Q | 26.8 | Very low | 27.4 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -44 | 116.3 | 171.9 | -76.3 | 153.9 | -46.8 | 0 | 0 | 111.9 | ||||
| 399 | T | 29.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -157.2 | 116.3 | 142.6 | -34.1 | 0 | 0 | 0 | 0 | 109.5 | K397 M401 | K397-T399 PolarHBondContact O-N 3.47Å; T399-M401 PolarHBondContact O-N 3.18Å | ||
| 400 | T | 25.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -49.3 | 114.8 | 163.7 | 17.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 401 | M | 27.2 | Very low | 27.2 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | trans | -143.9 | 117.4 | 159.6 | -80.3 | -143.6 | 166.4 | 0 | 0 | 111.2 | T399 Q403 | T399-M401 PolarHBondContact O-N 3.18Å; M401-Q403 PolarHBondContact O-N 3.27Å | ||
| 402 | T | 25.2 | Very low | 27.1 | Very low | 150 Ų | 150 | 150 Ų | 150 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -63.2 | 113.7 | 164 | -29.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 403 | Q | 26.7 | Very low | 27 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | trans | -105.4 | 112.2 | 170.5 | -84.5 | -175.3 | -13.3 | 0 | 0 | 109.4 | M401 | M401-Q403 PolarHBondContact O-N 3.27Š| ||
| 404 | E | 24.7 | Very low | 27 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -68.6 | 126.4 | 162 | -78.2 | -177.8 | 142.7 | 0 | 0 | 109.2 | ||||
| 405 | I | 26.4 | Very low | 26.9 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | trans | -93.2 | 107.8 | 174.3 | -61 | 173.3 | 0 | 0 | 0 | 108 | W407 | I405-W407 HydrophobicContact CG2-CZ2 4.45Š| ||
| 406 | T | 24 | Very low | 27.1 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 121.6 | 172.3 | -40.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 407 | W | 26 | Very low | 27.3 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 134.9 | 178.2 | -66.5 | 92.6 | 0 | 0 | 0 | 111.7 | I405 | I405-W407 HydrophobicContact CG2-CZ2 4.45Š|
| 408 | P | 26.6 | Very low | 27.3 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 123.8 | 176.3 | 29.5 | -30.5 | 0 | 0 | 0 | 111.6 | K410 | P408-K410 PolarHBondContact O-N 3.37Š|
| 409 | T | 27.6 | Very low | 27.5 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -76.9 | 97.1 | 168.6 | 25.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 410 | K | 30.2 | Very low | 27.6 | Very low | 194 Ų | 194 | 150 Ų | 150 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | trans | -114.8 | 114.1 | 161.6 | -100.1 | -173.3 | 177.7 | -179.3 | 0 | 110.9 | P408 C412 | P408-K410 PolarHBondContact O-N 3.37Å; K410-C412 PolarHBondContact O-N 3.25Å | ||
| 411 | T | 26.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -61.9 | 111.4 | 167.7 | 35.2 | 0 | 0 | 0 | 0 | 110.2 | G413 | T411-G413 PolarHBondContact O-N 3.28Š| ||
| 412 | C | 28.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -92 | 95.3 | 165.1 | -70.7 | 0 | 0 | 0 | 0 | 108.6 | K410 | K410-C412 PolarHBondContact O-N 3.25Š| ||
| 413 | G | 25.1 | Very low | 27.9 | Very low | 79 Ų | 79 | 149.5 Ų | 149.5 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 145.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T411 | T411-G413 PolarHBondContact O-N 3.28Š| ||
| 414 | G | 28.3 | Very low | 27.8 | Very low | 81 Ų | 81 | 147.2 Ų | 147.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 156.4 | 76.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 415 | A | 27.5 | Very low | 27.9 | Very low | 85 Ų | 85 | 145.1 Ų | 145.1 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 154.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 416 | N | 30.4 | Very low | 27.9 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | 76.9 | 55.6 | 151.9 | -56.5 | -10.5 | 0 | 0 | 0 | 119.9 | ||||
| 417 | K | 31.7 | Very low | 28.1 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -136.7 | 6.5 | 162.6 | -77.3 | -165 | 177.9 | 179.7 | 0 | 118.1 | ||||
| 418 | F | 31.1 | Very low | 28.3 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -105.1 | 1.2 | -174.2 | -87.4 | -81.8 | 0 | 0 | 0 | 116.7 | N420 | F418-N420 PolarHBondContact O-N 3.38Š|
| 419 | E | 30.1 | Very low | 28.4 | Very low | 189 Ų | 189 | 144.1 Ų | 144.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -5.6 | -175.3 | -76.1 | -177.7 | 157.4 | 0 | 0 | 115.8 | ||
| 420 | N | 31.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 9.7 | -172.9 | -85 | -22.7 | 0 | 0 | 0 | 116.7 | F418 | F418-N420 PolarHBondContact O-N 3.38Š|
| 421 | Y | 29.5 | Very low | 28.3 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 70% | 0.698 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -107.8 | 7.8 | -175.8 | -88.8 | -86 | 0 | 0 | 0 | 115.6 | ||
| 422 | A | 27 | Very low | 28.4 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 4.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 423 | H | 27.6 | Very low | 28.4 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 8.6 | -171.1 | -90.8 | -74.3 | 0 | 0 | 0 | 116 | ||
| 424 | H | 23.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 57% | 0.569 | 78% | 0.778 | S | S | * | * | trans | -138.2 | 68.7 | 178.4 | -77.3 | -41.9 | 0 | 0 | 0 | 112.4 | ||||
| 425 | L | 26.3 | Very low | 28.8 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | -160.3 | 0 | 171.8 | -110.9 | 134.8 | 0 | 0 | 0 | 115.7 | H249 G250 | H249-L425 HydrophobicContact CB-CB 4.3Å; H249-L425 HydrophobicContact CB-CD1 3.31Å; H249-L425 HydrophobicContact CB-CD2 3.7Å; H249-L425 HydrophobicContact CB-CG 3.84Å; H249-L425 WeakPolarHBondContact O-CD1 3.36Å; G250-L425 WeakPolarHBondContact O-CD2 3.28Å; G250-L425 WeakPolarHBondContact O-CG 3.41Å |
Retrieved 425 of 425 residues in 138.1 ms
(Link to these results)