| 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 | 58.8 | Low | 68 | Low | 182 Ų | 182 | 88.2 Ų | 88.2 | 90% | 0.897 | 45% | 0.449 | S | S | * | . | 0 | -79.7 | 0 | -66.5 | -168 | 74.1 | 0 | 0 | 113 | E4 S5 | M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 3.47Å; M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.07Å; M1-S5 VanDerWaalsContact O-OG 3.06Å | |||
| 2 | V | 65.5 | Low | 68.1 | Low | 118 Ų | 118 | 89.3 Ų | 89.3 | 72% | 0.715 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | -174 | -177.9 | 0 | 0 | 0 | 0 | 113 | E4 S5 V6 | V2-E4 VanDerWaalsContact C-N 3.35Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-S5 PolarHBondContact O-N 3.38Å; V2-V6 HydrophobicContact CG1-CG2 4.43Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 2.82Å |
| 3 | L | 64.8 | Low | 68 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | -177.7 | -166.6 | 66.4 | 0 | 0 | 0 | 112.5 | V6 A7 I27 | L3-V6 PolarHBondContact O-N 2.84Å; L3-A7 VanDerWaalsContact O-CB 3.26Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.98Å; L3-I27 HydrophobicContact CD2-CG1 4.37Å |
| 4 | E | 68.9 | Low | 67.8 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 175.1 | -67.5 | 162.8 | 144.8 | 0 | 0 | 111.6 | M1 V2 A7 R8 E25 | M1-E4 WeakPolarHBondContact CA-OE2 3.39Å; M1-E4 PolarHBondContact N-OE2 3.47Å; V2-E4 VanDerWaalsContact C-N 3.35Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-A7 PolarHBondContact O-N 3.06Å; E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.37Å; E4-R8 PolarHBondContact O-N 3.44Å; E4-E25 HydrophobicContact CG-CB 4.38Å |
| 5 | S | 71.7 | Confident | 67.7 | Low | 69 Ų | 69 | 89.7 Ų | 89.7 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | M1 V2 R8 I9 | M1-S5 PolarHBondContact O-N 3.45Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.07Å; M1-S5 VanDerWaalsContact O-OG 3.06Å; V2-S5 PolarHBondContact O-N 3.38Å; S5-R8 PolarHBondContact O-N 3.26Å; S5-I9 WeakPolarHBondContact O-CD1 3.22Å; S5-I9 VanDerWaalsContact O-CG1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.25Å; S5-I9 PolarHBondContact O-N 3.45Å |
| 6 | V | 71.2 | Confident | 67.3 | Low | 75 Ų | 75 | 89 Ų | 89 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V2 L3 R8 I9 V10 | V2-V6 HydrophobicContact CG1-CG2 4.43Å; V2-V6 WeakPolarHBondContact O-CG2 3.32Å; V2-V6 PolarHBondContact O-N 2.82Å; L3-V6 PolarHBondContact O-N 2.84Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.87Å; V6-I9 PolarHBondContact O-N 3.3Å; V6-V10 HydrophobicContact CG1-CG2 4.3Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 VanDerWaalsContact O-CG2 3.25Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 2.89Å |
| 7 | A | 68.7 | Low | 66.8 | Low | 1 Ų | 1 | 93.6 Ų | 93.6 | 1% | 0.008 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L3 E4 K11 V23 E25 | L3-A7 VanDerWaalsContact O-CB 3.26Å; L3-A7 WeakPolarHBondContact O-CB 3.38Å; L3-A7 PolarHBondContact O-N 2.98Å; E4-A7 PolarHBondContact O-N 3.06Å; A7-K11 WeakPolarHBondContact O-CB 3.41Å; A7-K11 WeakPolarHBondContact O-CG 3.42Å; A7-K11 PolarHBondContact O-N 2.8Å; A7-V23 HydrophobicContact CB-CG1 4.26Å; A7-E25 HydrophobicContact CB-CG 4.23Å |
| 8 | R | 72.3 | Confident | 66.3 | Low | 179 Ų | 179 | 90.3 Ų | 90.3 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 174.5 | -76.8 | -175.7 | -176.5 | -170.5 | 2.6 | 112.3 | E4 S5 V6 V10 K11 V12 | E4-R8 WeakPolarHBondContact O-CB 3.43Å; E4-R8 WeakPolarHBondContact O-CG 3.37Å; E4-R8 PolarHBondContact O-N 3.44Å; S5-R8 PolarHBondContact O-N 3.26Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 2.87Å; R8-V10 VanDerWaalsContact C-N 3.35Å; R8-V10 PolarHBondContact O-N 2.98Å; R8-K11 PolarHBondContact O-N 2.83Å; R8-V12 VanDerWaalsContact O-CB 3.26Å; R8-V12 WeakPolarHBondContact O-CB 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.17Å; R8-V12 PolarHBondContact O-N 2.86Å |
| 9 | I | 72.3 | Confident | 66.2 | Low | 95 Ų | 95 | 91.2 Ų | 91.2 | 49% | 0.487 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 178.2 | -71 | 165.2 | 0 | 0 | 0 | 110.6 | S5 V6 K11 V12 Q13 | S5-I9 WeakPolarHBondContact O-CD1 3.22Å; S5-I9 VanDerWaalsContact O-CG1 3.27Å; S5-I9 WeakPolarHBondContact O-CG1 3.25Å; S5-I9 PolarHBondContact O-N 3.45Å; V6-I9 PolarHBondContact O-N 3.3Å; I9-K11 PolarHBondContact O-N 2.8Å; I9-V12 PolarHBondContact O-N 2.79Å; I9-Q13 WeakPolarHBondContact O-CB 3.5Å; I9-Q13 PolarHBondContact O-N 3.37Å |
| 10 | V | 67.1 | Low | 66.1 | Low | 23 Ų | 23 | 97.6 Ų | 97.6 | 14% | 0.139 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | V6 R8 L14 V23 | V6-V10 HydrophobicContact CG1-CG2 4.3Å; V6-V10 WeakPolarHBondContact O-CB 3.49Å; V6-V10 VanDerWaalsContact O-CG2 3.25Å; V6-V10 WeakPolarHBondContact O-CG2 3.26Å; V6-V10 PolarHBondContact O-N 2.89Å; R8-V10 VanDerWaalsContact C-N 3.35Å; R8-V10 PolarHBondContact O-N 2.98Å; V10-L14 HydrophobicContact CB-CD1 4Å; V10-L14 HydrophobicContact CG1-CD1 3.58Å; V10-L14 HydrophobicContact CG2-CD1 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.32Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 WeakPolarHBondContact O-CD1 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-V23 HydrophobicContact CG1-CG2 4.18Å |
| 11 | K | 66.8 | Low | 66.1 | Low | 71 Ų | 71 | 94.1 Ų | 94.1 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -72.7 | -31.1 | -179.6 | -71.5 | 173.1 | -173.6 | -179 | 0 | 113.6 | A7 R8 I9 K19 E25 | A7-K11 WeakPolarHBondContact O-CB 3.41Å; A7-K11 WeakPolarHBondContact O-CG 3.42Å; A7-K11 PolarHBondContact O-N 2.8Å; R8-K11 PolarHBondContact O-N 2.83Å; I9-K11 PolarHBondContact O-N 2.8Å; K11-K19 WeakPolarHBondContact O-CD 3.17Å; K11-K19 WeakPolarHBondContact O-CE 3.42Å; K11-K19 WeakPolarHBondContact O-CG 3.16Å; K11-E25 IonicContact NZ-OE1 2.77Å; K11-E25 PolarHBondContact NZ-OE1 3.42Å |
| 12 | V | 69.2 | Low | 66.4 | Low | 102 Ų | 102 | 86.9 Ų | 86.9 | 62% | 0.618 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -92.9 | -45.2 | -171.7 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | R8 I9 K19 | R8-V12 VanDerWaalsContact O-CB 3.26Å; R8-V12 WeakPolarHBondContact O-CB 3.23Å; R8-V12 WeakPolarHBondContact O-CG2 3.17Å; R8-V12 PolarHBondContact O-N 2.86Å; I9-V12 PolarHBondContact O-N 2.79Å; V12-K19 PolarHBondContact O-NZ 3.2Å |
| 13 | Q | 66.6 | Low | 66.4 | Low | 155 Ų | 155 | 82.7 Ų | 82.7 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -95 | -11.9 | -169.2 | -67.7 | -176.5 | -27.5 | 0 | 0 | 114.8 | I9 | I9-Q13 WeakPolarHBondContact O-CB 3.5Å; I9-Q13 PolarHBondContact O-N 3.37Å |
| 14 | L | 65.3 | Low | 66.4 | Low | 55 Ų | 55 | 80.4 Ų | 80.4 | 29% | 0.288 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -90.1 | 154.8 | -178.1 | -68.2 | 169.4 | 0 | 0 | 0 | 113.4 | V10 L18 K19 | V10-L14 HydrophobicContact CB-CD1 4Å; V10-L14 HydrophobicContact CG1-CD1 3.58Å; V10-L14 HydrophobicContact CG2-CD1 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.32Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 WeakPolarHBondContact O-CD1 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; L14-L18 HydrophobicContact CB-CB 3.74Å; L14-L18 HydrophobicContact CB-CD1 3.98Å; L14-L18 HydrophobicContact CB-CG 4.45Å; L14-L18 HydrophobicContact CD1-CB 4Å; L14-L18 HydrophobicContact CD1-CD1 3.93Å; L14-L18 HydrophobicContact CD2-CD1 3.85Å; L14-L18 HydrophobicContact CG-CB 4.45Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-K19 WeakPolarHBondContact O-CE 3.33Å |
| 15 | P | 66.1 | Low | 66.3 | Low | 63 Ų | 63 | 80.8 Ų | 80.8 | 41% | 0.409 | 40% | 0.403 | S | S | . | . | trans | -50.5 | 153.6 | 174 | -29.2 | 34.8 | 0 | 0 | 0 | 113.9 | Y17 L18 K19 | P15-Y17 HydrophobicContact CB-CD1 3.63Å; P15-Y17 HydrophobicContact CB-CE1 3.22Å; P15-Y17 HydrophobicContact CG-CE1 3.86Å; P15-Y17 PolarHBondContact O-N 3.46Å; P15-L18 PolarHBondContact O-N 3.41Å; P15-K19 PolarHBondContact O-N 2.87Å | ||
| 16 | A | 61.9 | Low | 66.3 | Low | 79 Ų | 79 | 80.3 Ų | 80.3 | 65% | 0.653 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -24.6 | -171 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 17 | Y | 58.1 | Low | 65.9 | Low | 168 Ų | 168 | 83.6 Ų | 83.6 | 66% | 0.659 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -29.8 | 176.8 | 63.5 | -93.3 | 0 | 0 | 0 | 113.7 | P15 | P15-Y17 HydrophobicContact CB-CD1 3.63Å; P15-Y17 HydrophobicContact CB-CE1 3.22Å; P15-Y17 HydrophobicContact CG-CE1 3.86Å; P15-Y17 PolarHBondContact O-N 3.46Å |
| 18 | L | 58.9 | Low | 66 | Low | 33 Ų | 33 | 88.4 Ų | 88.4 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -21 | 177.9 | -63.9 | 172.8 | 0 | 0 | 0 | 112.6 | L14 P15 R20 L21 | L14-L18 HydrophobicContact CB-CB 3.74Å; L14-L18 HydrophobicContact CB-CD1 3.98Å; L14-L18 HydrophobicContact CB-CG 4.45Å; L14-L18 HydrophobicContact CD1-CB 4Å; L14-L18 HydrophobicContact CD1-CD1 3.93Å; L14-L18 HydrophobicContact CD2-CD1 3.85Å; L14-L18 HydrophobicContact CG-CB 4.45Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; P15-L18 PolarHBondContact O-N 3.41Å; L18-R20 PolarHBondContact O-N 2.92Å; L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CD2-CD1 3.66Å; L18-L21 HydrophobicContact CD2-CG 4.44Å; L18-L21 WeakPolarHBondContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CG 3.44Å; L18-L21 PolarHBondContact O-N 3Å; L18-L21 VanDerWaalsContact O-N 3.14Å |
| 19 | K | 63.2 | Low | 65.9 | Low | 108 Ų | 108 | 80.7 Ų | 80.7 | 47% | 0.47 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23 | 173.7 | -59 | -166 | 176.8 | -172.3 | 0 | 113.2 | K11 V12 L14 P15 L21 | K11-K19 WeakPolarHBondContact O-CD 3.17Å; K11-K19 WeakPolarHBondContact O-CE 3.42Å; K11-K19 WeakPolarHBondContact O-CG 3.16Å; V12-K19 PolarHBondContact O-NZ 3.2Å; L14-K19 WeakPolarHBondContact O-CE 3.33Å; P15-K19 PolarHBondContact O-N 2.87Å; K19-L21 VanDerWaalsContact C-N 3.31Å |
| 20 | R | 65.4 | Low | 65.7 | Low | 219 Ų | 219 | 79.7 Ų | 79.7 | 83% | 0.826 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.7 | 177.9 | -64.2 | -172.4 | -173.1 | -136.1 | 2.7 | 113.5 | L18 | L18-R20 PolarHBondContact O-N 2.92Š|
| 21 | L | 65.3 | Low | 65.9 | Low | 24 Ų | 24 | 82.9 Ų | 82.9 | 13% | 0.126 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -70.4 | 130.7 | 174.6 | -69.8 | 174 | 0 | 0 | 0 | 109.5 | L18 K19 V23 L41 F44 | L18-L21 HydrophobicContact CB-CD1 4.27Å; L18-L21 HydrophobicContact CD2-CD1 3.66Å; L18-L21 HydrophobicContact CD2-CG 4.44Å; L18-L21 WeakPolarHBondContact O-CB 3.32Å; L18-L21 WeakPolarHBondContact O-CG 3.44Å; L18-L21 PolarHBondContact O-N 3Å; L18-L21 VanDerWaalsContact O-N 3.14Å; K19-L21 VanDerWaalsContact C-N 3.31Å; L21-V23 HydrophobicContact CB-CG2 3.84Å; L21-V23 PolarHBondContact O-N 3.39Å; L21-L41 HydrophobicContact CB-CD2 4.42Å; L21-L41 HydrophobicContact CD2-CD2 4.27Å; L21-F44 HydrophobicContact CD1-CD2 4.36Å; L21-F44 HydrophobicContact CD1-CG 4.28Å |
| 22 | P | 65 | Low | 66.2 | Low | 31 Ų | 31 | 89.8 Ų | 89.8 | 20% | 0.201 | 46% | 0.463 | C | S | . | . | trans | -75.6 | 71.9 | 175.5 | 31.6 | -32.3 | 0 | 0 | 0 | 108.8 | P24 L33 E37 L41 | P22-P24 WeakPolarHBondContact O-CD 3.49Å; P22-L33 HydrophobicContact CB-CD2 3.9Å; P22-L33 HydrophobicContact CG-CD2 4.26Å; P22-E37 HydrophobicContact CB-CB 4.39Å; P22-E37 HydrophobicContact CB-CG 4.31Å; P22-E37 HydrophobicContact CG-CB 3.75Å; P22-E37 HydrophobicContact CG-CG 4Å; P22-L41 HydrophobicContact CG-CD1 4.07Å; P22-L41 HydrophobicContact CG-CD2 4.46Å; P22-L41 HydrophobicContact CG-CG 4.11Å | ||
| 23 | V | 65.3 | Low | 66.5 | Low | 29 Ų | 29 | 86.2 Ų | 86.2 | 18% | 0.176 | 44% | 0.441 | C | S | . | . | trans | -83.6 | 108.6 | 176.6 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | A7 V10 L21 | A7-V23 HydrophobicContact CB-CG1 4.26Å; V10-V23 HydrophobicContact CG1-CG2 4.18Å; L21-V23 HydrophobicContact CB-CG2 3.84Å; L21-V23 PolarHBondContact O-N 3.39Å | ||
| 24 | P | 64.5 | Low | 66.9 | Low | 17 Ų | 17 | 82.3 Ų | 82.3 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -73.1 | 145.1 | -179.2 | 30.1 | -32.9 | 0 | 0 | 0 | 110.4 | P22 S26 F30 | P22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-S26 VanDerWaalsContact C-N 3.28Å; P24-F30 HydrophobicContact CG-CB 4.49Å; P24-F30 HydrophobicContact CG-CD1 3.51Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.42Å; P24-F30 VanDerWaalsContact CG-CE1 3.42Å; P24-F30 HydrophobicContact CG-CE2 3.51Å; P24-F30 HydrophobicContact CG-CG 3.59Å; P24-F30 HydrophobicContact CG-CZ 3.43Å; P24-F30 VanDerWaalsContact CG-CZ 3.43Å | ||
| 25 | E | 68.1 | Low | 67.6 | Low | 101 Ų | 101 | 85.3 Ų | 85.3 | 47% | 0.472 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -84.9 | -6.7 | -176.9 | -62.4 | -179 | 176.4 | 0 | 0 | 112.2 | E4 A7 K11 | E4-E25 HydrophobicContact CG-CB 4.38Å; A7-E25 HydrophobicContact CB-CG 4.23Å; K11-E25 IonicContact NZ-OE1 2.77Å; K11-E25 PolarHBondContact NZ-OE1 3.42Å |
| 26 | S | 70.4 | Confident | 68 | Low | 59 Ų | 59 | 85.5 Ų | 85.5 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -140.3 | 156.1 | 178.9 | 65 | 0 | 0 | 0 | 0 | 112.2 | P24 T28 G29 | P24-S26 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.07Å; S26-G29 PolarHBondContact O-N 3.39Å; S26-G29 PolarHBondContact OG-N 3.19Å |
| 27 | I | 63.3 | Low | 68.7 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 73% | 0.733 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -62 | -34.9 | 180 | -56.2 | 174 | 0 | 0 | 0 | 110.9 | L3 G29 F30 | L3-I27 HydrophobicContact CD2-CG1 4.37Å; I27-G29 VanDerWaalsContact C-N 3.25Å; I27-G29 PolarHBondContact O-N 3.13Å; I27-F30 PolarHBondContact O-N 3.31Å |
| 28 | T | 71.7 | Confident | 69.7 | Low | 103 Ų | 103 | 81.6 Ų | 81.6 | 63% | 0.632 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -69.4 | -20.8 | 176.1 | -17.8 | 0 | 0 | 0 | 0 | 113.3 | S26 F30 A31 | S26-T28 PolarHBondContact O-N 3.07Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-A31 PolarHBondContact O-N 2.7Å |
| 29 | G | 69.1 | Low | 70.8 | Confident | 16 Ų | 16 | 85.2 Ų | 85.2 | 17% | 0.165 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -70.9 | -26.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S26 I27 A31 R32 | S26-G29 PolarHBondContact O-N 3.39Å; S26-G29 PolarHBondContact OG-N 3.19Å; I27-G29 VanDerWaalsContact C-N 3.25Å; I27-G29 PolarHBondContact O-N 3.13Å; G29-A31 PolarHBondContact O-N 3.37Å; G29-R32 PolarHBondContact O-N 3.5Å |
| 30 | F | 68.3 | Low | 71.6 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 33% | 0.329 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -64.9 | -29.2 | 174.8 | -70.5 | -80.7 | 0 | 0 | 0 | 112.7 | P24 I27 T28 R32 L33 W38 | P24-F30 HydrophobicContact CG-CB 4.49Å; P24-F30 HydrophobicContact CG-CD1 3.51Å; P24-F30 HydrophobicContact CG-CD2 3.58Å; P24-F30 HydrophobicContact CG-CE1 3.42Å; P24-F30 VanDerWaalsContact CG-CE1 3.42Å; P24-F30 HydrophobicContact CG-CE2 3.51Å; P24-F30 HydrophobicContact CG-CG 3.59Å; P24-F30 HydrophobicContact CG-CZ 3.43Å; P24-F30 VanDerWaalsContact CG-CZ 3.43Å; I27-F30 PolarHBondContact O-N 3.31Å; T28-F30 VanDerWaalsContact C-N 3.34Å; F30-R32 VanDerWaalsContact C-N 3.27Å; F30-R32 PolarHBondContact O-N 3.44Å; F30-L33 HydrophobicContact CB-CD1 4.5Å; F30-L33 HydrophobicContact CD1-CD1 3.97Å; F30-W38 HydrophobicContact CB-CZ2 4.5Å |
| 31 | A | 71.8 | Confident | 72.3 | Confident | 89 Ų | 89 | 78.4 Ų | 78.4 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -75.4 | -14 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T28 G29 | T28-A31 PolarHBondContact O-N 2.7Å; G29-A31 PolarHBondContact O-N 3.37Å |
| 32 | R | 73.8 | Confident | 73.2 | Confident | 216 Ų | 216 | 82.1 Ų | 82.1 | 82% | 0.815 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -100.7 | 2 | -179.6 | -65.3 | -174.2 | 177.4 | -174.7 | -1 | 113.7 | G29 F30 | G29-R32 PolarHBondContact O-N 3.5Å; F30-R32 VanDerWaalsContact C-N 3.27Å; F30-R32 PolarHBondContact O-N 3.44Å |
| 33 | L | 73.5 | Confident | 74.1 | Confident | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.141 | 45% | 0.449 | C | S | . | . | trans | -74 | 135.8 | 179.9 | -71.2 | 167.9 | 0 | 0 | 0 | 110.9 | P22 F30 E37 W38 L41 | P22-L33 HydrophobicContact CB-CD2 3.9Å; P22-L33 HydrophobicContact CG-CD2 4.26Å; F30-L33 HydrophobicContact CB-CD1 4.5Å; F30-L33 HydrophobicContact CD1-CD1 3.97Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 4.04Å; L33-W38 HydrophobicContact CB-CG 4.48Å; L33-W38 HydrophobicContact CD1-CZ2 4.3Å; L33-L41 HydrophobicContact CD1-CD1 3.81Å | ||
| 34 | T | 77.1 | Confident | 74.8 | Confident | 74 Ų | 74 | 86.7 Ų | 86.7 | 45% | 0.454 | 45% | 0.454 | S | S | . | . | trans | -74.2 | 159.4 | 173.4 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | S36 E37 W38 | T34-S36 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact OG1-OG 2.98Å; T34-E37 PolarHBondContact N-OE2 2.89Å; T34-E37 WeakPolarHBondContact O-CB 3.32Å; T34-E37 PolarHBondContact O-N 3.44Å; T34-E37 VanDerWaalsContact OG1-CG 3.27Å; T34-E37 WeakPolarHBondContact OG1-CG 3.48Å; T34-E37 PolarHBondContact OG1-OE2 3.39Å; T34-W38 PolarHBondContact O-N 2.63Å | ||
| 35 | V | 78.3 | Confident | 75.9 | Confident | 118 Ų | 118 | 89.2 Ų | 89.2 | 72% | 0.715 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.2 | -35.3 | -177.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | W38 L39 | V35-W38 PolarHBondContact O-N 3.02Å; V35-L39 HydrophobicContact CG1-CD1 4.24Å; V35-L39 PolarHBondContact O-N 3.29Å |
| 36 | S | 75.7 | Confident | 76.8 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 46% | 0.462 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.8 | -32 | 177.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | T34 R40 | T34-S36 PolarHBondContact O-N 3.37Å; T34-S36 PolarHBondContact OG1-OG 2.98Å; S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.49Å |
| 37 | E | 77 | Confident | 77.8 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.3 | -39.7 | 174.9 | -70.8 | 171 | 140.6 | 0 | 0 | 111.3 | P22 L33 T34 L39 R40 L41 | P22-E37 HydrophobicContact CB-CB 4.39Å; P22-E37 HydrophobicContact CB-CG 4.31Å; P22-E37 HydrophobicContact CG-CB 3.75Å; P22-E37 HydrophobicContact CG-CG 4Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 4.04Å; T34-E37 PolarHBondContact N-OE2 2.89Å; T34-E37 WeakPolarHBondContact O-CB 3.32Å; T34-E37 PolarHBondContact O-N 3.44Å; T34-E37 VanDerWaalsContact OG1-CG 3.27Å; T34-E37 WeakPolarHBondContact OG1-CG 3.48Å; T34-E37 PolarHBondContact OG1-OE2 3.39Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.27Å; E37-R40 PolarHBondContact O-N 2.92Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 2.81Å; E37-L41 VanDerWaalsContact O-N 3.09Å |
| 38 | W | 78 | Confident | 79 | Confident | 105 Ų | 105 | 84.9 Ų | 84.9 | 40% | 0.398 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 169.8 | -88 | 106.2 | 0 | 0 | 0 | 112.2 | F30 L33 T34 V35 R40 L41 L42 L45 | F30-W38 HydrophobicContact CB-CZ2 4.5Å; L33-W38 HydrophobicContact CB-CG 4.48Å; L33-W38 HydrophobicContact CD1-CZ2 4.3Å; T34-W38 PolarHBondContact O-N 2.63Å; V35-W38 PolarHBondContact O-N 3.02Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.4Å; W38-L41 PolarHBondContact O-N 2.94Å; W38-L41 VanDerWaalsContact O-N 3.15Å; W38-L42 PolarHBondContact O-N 3.36Å; W38-L42 VanDerWaalsContact O-N 3.07Å; W38-L45 HydrophobicContact CZ3-CD1 4Å |
| 39 | L | 81.1 | Confident | 79.9 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 175.3 | -87 | 154.2 | 0 | 0 | 0 | 113 | V35 E37 L41 L42 | V35-L39 HydrophobicContact CG1-CD1 4.24Å; V35-L39 PolarHBondContact O-N 3.29Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.27Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L39-L42 HydrophobicContact CD2-CD1 4.26Å |
| 40 | R | 80.6 | Confident | 81 | Confident | 176 Ų | 176 | 87 Ų | 87 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.4 | -26.4 | 176.7 | -71 | 174.7 | -177.7 | 176.3 | 2.8 | 113.2 | S36 E37 W38 | S36-R40 WeakPolarHBondContact O-CG 3.34Å; S36-R40 PolarHBondContact O-N 3.49Å; E37-R40 PolarHBondContact O-N 2.92Å; W38-R40 VanDerWaalsContact C-N 3.31Å; W38-R40 PolarHBondContact O-N 3.4Å |
| 41 | L | 79.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 88.3 Ų | 88.3 | 4% | 0.042 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -82.6 | -23.4 | 177.7 | -73 | 168.2 | 0 | 0 | 0 | 113 | L21 P22 L33 E37 W38 L39 F44 L45 | L21-L41 HydrophobicContact CB-CD2 4.42Å; L21-L41 HydrophobicContact CD2-CD2 4.27Å; P22-L41 HydrophobicContact CG-CD1 4.07Å; P22-L41 HydrophobicContact CG-CD2 4.46Å; P22-L41 HydrophobicContact CG-CG 4.11Å; L33-L41 HydrophobicContact CD1-CD1 3.81Å; E37-L41 WeakPolarHBondContact O-CG 3.5Å; E37-L41 PolarHBondContact O-N 2.81Å; E37-L41 VanDerWaalsContact O-N 3.09Å; W38-L41 PolarHBondContact O-N 2.94Å; W38-L41 VanDerWaalsContact O-N 3.15Å; L39-L41 VanDerWaalsContact C-N 3.35Å; L41-F44 PolarHBondContact O-N 2.85Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L41-L45 HydrophobicContact CB-CD1 4.26Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.49Å |
| 42 | L | 83.9 | Confident | 83.2 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 53% | 0.534 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -52.1 | -47.2 | -177.6 | -88.7 | 173 | 0 | 0 | 0 | 114.5 | W38 L39 F44 L45 G46 | W38-L42 PolarHBondContact O-N 3.36Å; W38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 HydrophobicContact CD2-CD1 4.26Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.34Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-G46 PolarHBondContact O-N 3.38Å |
| 43 | P | 84 | Confident | 84 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 58% | 0.584 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 179.4 | -22.4 | 33.4 | 0 | 0 | 0 | 112.6 | G46 V47 | P43-G46 PolarHBondContact O-N 3.47Å; P43-V47 WeakPolarHBondContact O-CG2 3.35Å; P43-V47 PolarHBondContact O-N 3.42Å |
| 44 | F | 81.1 | Confident | 84.9 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 29% | 0.285 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 179.4 | -179.5 | -104.9 | 0 | 0 | 0 | 111.6 | L21 L41 L42 G46 V47 L48 | L21-F44 HydrophobicContact CD1-CD2 4.36Å; L21-F44 HydrophobicContact CD1-CG 4.28Å; L41-F44 PolarHBondContact O-N 2.85Å; L41-F44 VanDerWaalsContact O-N 3.15Å; L42-F44 VanDerWaalsContact C-N 3.33Å; L42-F44 PolarHBondContact O-N 3.34Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.19Å; F44-V47 PolarHBondContact O-N 3.04Å; F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CE1-CD1 3.37Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CE2-CD1 4.43Å; F44-L48 HydrophobicContact CZ-CD1 3.67Å; F44-L48 HydrophobicContact CZ-CG 4.26Å; F44-L48 WeakPolarHBondContact O-CG 3.48Å; F44-L48 PolarHBondContact O-N 2.66Å |
| 45 | L | 86.2 | Confident | 85.6 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 37% | 0.366 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 174.9 | -67.4 | 176.3 | 0 | 0 | 0 | 111.7 | W38 L41 L42 L48 A49 | W38-L45 HydrophobicContact CZ3-CD1 4Å; L41-L45 HydrophobicContact CB-CD1 4.26Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.22Å; L45-L48 PolarHBondContact O-N 3.32Å; L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.75Å |
| 46 | G | 89.1 | Confident | 86 | Confident | 40 Ų | 40 | 81.8 Ų | 81.8 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L42 P43 F44 A49 L50 | L42-G46 PolarHBondContact O-N 3.38Å; P43-G46 PolarHBondContact O-N 3.47Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.19Å; G46-A49 PolarHBondContact O-N 3.46Å; G46-L50 VanDerWaalsContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CB 3.36Å; G46-L50 PolarHBondContact O-N 2.98Å |
| 47 | V | 89.5 | Confident | 86.4 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | P43 F44 A49 L50 L51 | P43-V47 WeakPolarHBondContact O-CG2 3.35Å; P43-V47 PolarHBondContact O-N 3.42Å; F44-V47 PolarHBondContact O-N 3.04Å; V47-A49 PolarHBondContact O-N 2.63Å; V47-L50 PolarHBondContact O-N 2.92Å; V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 WeakPolarHBondContact O-CG 3.24Å; V47-L51 PolarHBondContact O-N 3.18Å |
| 48 | L | 89.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 86 Ų | 86 | 47% | 0.466 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.3 | -73.1 | 178.8 | 0 | 0 | 0 | 112.3 | F44 L45 G52 | F44-L48 HydrophobicContact CD1-CD1 3.91Å; F44-L48 HydrophobicContact CE1-CD1 3.37Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CE2-CD1 4.43Å; F44-L48 HydrophobicContact CZ-CD1 3.67Å; F44-L48 HydrophobicContact CZ-CG 4.26Å; F44-L48 WeakPolarHBondContact O-CG 3.48Å; F44-L48 PolarHBondContact O-N 2.66Å; L45-L48 PolarHBondContact O-N 3.32Å; L48-G52 PolarHBondContact O-N 3.45Å |
| 49 | A | 90.7 | Very high | 86.7 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L45 G46 V47 Y53 | L45-A49 VanDerWaalsContact O-CB 3.24Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 2.75Å; G46-A49 PolarHBondContact O-N 3.46Å; V47-A49 PolarHBondContact O-N 2.63Å; A49-Y53 VanDerWaalsContact O-CB 3.29Å; A49-Y53 WeakPolarHBondContact O-CB 3.19Å; A49-Y53 PolarHBondContact O-N 3.41Å |
| 50 | L | 93.3 | Very high | 86 | Confident | 98 Ų | 98 | 89.7 Ų | 89.7 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 176.9 | 179.9 | 62.6 | 0 | 0 | 0 | 111.7 | G46 V47 Y53 L54 | G46-L50 VanDerWaalsContact O-CB 3.31Å; G46-L50 WeakPolarHBondContact O-CB 3.36Å; G46-L50 PolarHBondContact O-N 2.98Å; V47-L50 PolarHBondContact O-N 2.92Å; L50-Y53 PolarHBondContact O-N 3.34Å; L50-L54 HydrophobicContact CD1-CD1 4.3Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.22Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 3.46Å |
| 51 | L | 92.9 | Very high | 85.1 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.7 | -69.8 | 175.1 | 0 | 0 | 0 | 111.6 | V47 L54 A55 | V47-L51 HydrophobicContact CG1-CD1 3.94Å; V47-L51 HydrophobicContact CG1-CG 4.35Å; V47-L51 WeakPolarHBondContact O-CB 3.34Å; V47-L51 WeakPolarHBondContact O-CG 3.24Å; V47-L51 PolarHBondContact O-N 3.18Å; L51-L54 PolarHBondContact O-N 2.95Å; L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.81Å |
| 52 | G | 92.5 | Very high | 83.9 | Confident | 35 Ų | 35 | 97.6 Ų | 97.6 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L48 L54 A55 V56 | L48-G52 PolarHBondContact O-N 3.45Å; G52-L54 PolarHBondContact O-N 3.03Å; G52-A55 PolarHBondContact O-N 2.69Å; G52-V56 VanDerWaalsContact O-CG2 3.24Å; G52-V56 WeakPolarHBondContact O-CG2 3.23Å; G52-V56 PolarHBondContact O-N 2.79Å |
| 53 | Y | 89.5 | Confident | 82.4 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 175.9 | 174 | -105.9 | 0 | 0 | 0 | 111.9 | A49 L50 A55 V56 R57 | A49-Y53 VanDerWaalsContact O-CB 3.29Å; A49-Y53 WeakPolarHBondContact O-CB 3.19Å; A49-Y53 PolarHBondContact O-N 3.41Å; L50-Y53 PolarHBondContact O-N 3.34Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 3.03Å; Y53-V56 PolarHBondContact O-N 2.84Å; Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.46Å; Y53-R57 PolarHBondContact O-N 3.29Å |
| 54 | L | 92.6 | Very high | 80.8 | Confident | 88 Ų | 88 | 106.1 Ų | 106.1 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 179.1 | -68.8 | 175.6 | 0 | 0 | 0 | 112.5 | L50 L51 G52 P58 | L50-L54 HydrophobicContact CD1-CD1 4.3Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 4.22Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.49Å; L50-L54 PolarHBondContact O-N 3.46Å; L51-L54 PolarHBondContact O-N 2.95Å; G52-L54 PolarHBondContact O-N 3.03Å; L54-P58 WeakPolarHBondContact O-CD 3.21Å |
| 55 | A | 91.8 | Very high | 79.1 | Confident | 59 Ų | 59 | 111.5 Ų | 111.5 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -38.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L51 G52 Y53 P58 F59 | L51-A55 WeakPolarHBondContact O-CB 3.41Å; L51-A55 PolarHBondContact O-N 2.81Å; G52-A55 PolarHBondContact O-N 2.69Å; Y53-A55 VanDerWaalsContact C-N 3.32Å; Y53-A55 PolarHBondContact O-N 3.03Å; A55-P58 WeakPolarHBondContact O-CD 3.48Å; A55-F59 WeakPolarHBondContact O-CD2 3.48Å |
| 56 | V | 87.8 | Confident | 77.2 | Confident | 69 Ų | 69 | 116.7 Ų | 116.7 | 42% | 0.418 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -91 | -21.9 | -177 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | G52 Y53 P58 F59 L60 | G52-V56 VanDerWaalsContact O-CG2 3.24Å; G52-V56 WeakPolarHBondContact O-CG2 3.23Å; G52-V56 PolarHBondContact O-N 2.79Å; Y53-V56 PolarHBondContact O-N 2.84Å; V56-P58 VanDerWaalsContact C-CD 3.49Å; V56-F59 CarbonylContact O-C 3.54Å; V56-F59 WeakPolarHBondContact O-CA 3.42Å; V56-F59 PolarHBondContact O-N 2.74Å; V56-L60 HydrophobicContact CB-CD1 4.16Å; V56-L60 HydrophobicContact CB-CG 4.42Å; V56-L60 HydrophobicContact CG1-CD1 3.55Å; V56-L60 HydrophobicContact CG1-CD2 4.16Å; V56-L60 HydrophobicContact CG1-CG 3.49Å; V56-L60 VanDerWaalsContact CG1-CG 3.49Å; V56-L60 WeakPolarHBondContact O-CB 3.13Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 2.82Å |
| 57 | R | 84.5 | Confident | 75.3 | Confident | 144 Ų | 144 | 123.3 Ų | 123.3 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.7 | -45.4 | 176.8 | -178.8 | 179.7 | -178.7 | -163.6 | 0 | 115.1 | Y53 F59 L60 Q61 | Y53-R57 WeakPolarHBondContact O-CA 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.46Å; Y53-R57 PolarHBondContact O-N 3.29Å; R57-F59 VanDerWaalsContact C-N 3.29Å; R57-F59 PolarHBondContact O-N 3.01Å; R57-L60 PolarHBondContact O-N 3.41Å; R57-Q61 PolarHBondContact O-N 2.97Å |
| 58 | P | 79.9 | Confident | 73.6 | Confident | 71 Ų | 71 | 124.5 Ų | 124.5 | 46% | 0.461 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -29.9 | 177.5 | 25 | -33.6 | 0 | 0 | 0 | 112.7 | L54 A55 V56 | L54-P58 WeakPolarHBondContact O-CD 3.21Å; A55-P58 WeakPolarHBondContact O-CD 3.48Å; V56-P58 VanDerWaalsContact C-CD 3.49Å |
| 59 | F | 79.9 | Confident | 72.9 | Confident | 177 Ų | 177 | 124.7 Ų | 124.7 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -23.1 | 178 | -58.2 | -76.9 | 0 | 0 | 0 | 113.2 | A55 V56 R57 Q61 | A55-F59 WeakPolarHBondContact O-CD2 3.48Å; V56-F59 CarbonylContact O-C 3.54Å; V56-F59 WeakPolarHBondContact O-CA 3.42Å; V56-F59 PolarHBondContact O-N 2.74Å; R57-F59 VanDerWaalsContact C-N 3.29Å; R57-F59 PolarHBondContact O-N 3.01Å; F59-Q61 VanDerWaalsContact C-N 3.31Å |
| 60 | L | 67.8 | Low | 72.8 | Confident | 116 Ų | 116 | 126.6 Ų | 126.6 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 8.3 | 172.7 | -67.9 | 176.7 | 0 | 0 | 0 | 113.1 | V56 R57 K62 | V56-L60 HydrophobicContact CB-CD1 4.16Å; V56-L60 HydrophobicContact CB-CG 4.42Å; V56-L60 HydrophobicContact CG1-CD1 3.55Å; V56-L60 HydrophobicContact CG1-CD2 4.16Å; V56-L60 HydrophobicContact CG1-CG 3.49Å; V56-L60 VanDerWaalsContact CG1-CG 3.49Å; V56-L60 WeakPolarHBondContact O-CB 3.13Å; V56-L60 WeakPolarHBondContact O-CG 3.49Å; V56-L60 PolarHBondContact O-N 2.82Å; R57-L60 PolarHBondContact O-N 3.41Å; L60-K62 PolarHBondContact O-N 3.44Å |
| 61 | Q | 60.7 | Low | 72.9 | Confident | 156 Ų | 156 | 127.2 Ų | 127.2 | 73% | 0.729 | 63% | 0.627 | S | S | * | * | trans | -58.7 | 91.8 | 161.8 | -73.7 | -171.5 | -31.2 | 0 | 0 | 107.2 | R57 F59 K63 | R57-Q61 PolarHBondContact O-N 2.97Å; F59-Q61 VanDerWaalsContact C-N 3.31Å; Q61-K63 PolarHBondContact O-N 3.34Å | ||
| 62 | K | 54.9 | Low | 73.1 | Confident | 194 Ų | 194 | 123.3 Ų | 123.3 | 84% | 0.843 | 61% | 0.607 | S | S | * | * | trans | -46.6 | 119.7 | 173.2 | -80.9 | -179.1 | 174.2 | 179.4 | 0 | 106 | L60 K64 | L60-K62 PolarHBondContact O-N 3.44Å; K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.99Å | ||
| 63 | K | 51.9 | Low | 73.2 | Confident | 202 Ų | 202 | 126.2 Ų | 126.2 | 88% | 0.878 | 61% | 0.613 | S | S | * | * | trans | -46.5 | 107.4 | 154.9 | -82.5 | -174.7 | 176.4 | -179.1 | 0 | 105 | Q61 Q65 | Q61-K63 PolarHBondContact O-N 3.34Å; K63-Q65 PolarHBondContact O-N 3.26Å | ||
| 64 | K | 51.6 | Low | 73.5 | Confident | 168 Ų | 168 | 128.8 Ų | 128.8 | 73% | 0.73 | 63% | 0.627 | S | S | * | * | trans | -55.7 | 117 | -177.2 | -152.4 | 179.6 | -176.6 | -172.6 | 0 | 105.4 | K62 Q66 | K62-K64 VanDerWaalsContact C-N 3.28Å; K62-K64 PolarHBondContact O-N 2.99Å; K64-Q66 PolarHBondContact O-N 3.12Å | ||
| 65 | Q | 45.3 | Very low | 73.7 | Confident | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 61% | 0.612 | S | S | * | * | trans | -68.6 | 102.5 | -163.2 | -157.4 | 179.4 | 3.6 | 0 | 0 | 107.9 | K63 K67 | K63-Q65 PolarHBondContact O-N 3.26Å; Q65-K67 PolarHBondContact O-N 3.06Å | ||
| 66 | Q | 46.5 | Very low | 74 | Confident | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 23.9 | 33.6 | 147.8 | -149.1 | 177.6 | -26.5 | 0 | 0 | 119.7 | K64 D68 | K64-Q66 PolarHBondContact O-N 3.12Å; Q66-D68 VanDerWaalsContact C-N 3.32Å |
| 67 | K | 49.1 | Very low | 74.4 | Confident | 180 Ų | 180 | 128.7 Ų | 128.7 | 78% | 0.783 | 61% | 0.609 | S | S | * | * | trans | -89.6 | -8.9 | 152.8 | -97.7 | -177.8 | 173.8 | 177.9 | 0 | 110.8 | Q65 S69 | Q65-K67 PolarHBondContact O-N 3.06Å; K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.7Å | ||
| 68 | D | 53.8 | Low | 75 | Confident | 107 Ų | 107 | 129.4 Ų | 129.4 | 57% | 0.572 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 5.1 | -169.9 | -67 | -29.5 | 0 | 0 | 0 | 114.2 | Q66 | Q66-D68 VanDerWaalsContact C-N 3.32Š|
| 69 | S | 73.5 | Confident | 75.8 | Confident | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -17.4 | 175.2 | 64 | 0 | 0 | 0 | 0 | 113.9 | K67 I71 | K67-S69 VanDerWaalsContact C-N 3.3Å; K67-S69 PolarHBondContact O-N 2.7Å; S69-I71 PolarHBondContact O-N 2.79Å; S69-I71 VanDerWaalsContact O-N 3.13Å |
| 70 | L | 90 | Very high | 76.5 | Confident | 106 Ų | 106 | 127 Ų | 127 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | trans | -72.8 | 108.8 | 179.5 | -68.5 | 177.5 | 0 | 0 | 0 | 110.3 | L73 | L70-L73 HydrophobicContact CB-CD2 4.22Š| ||
| 71 | I | 94.9 | Very high | 77.9 | Confident | 112 Ų | 112 | 129.3 Ų | 129.3 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -66.9 | -52.5 | 178.4 | -55.7 | 175 | 0 | 0 | 0 | 110 | S69 W102 R103 | S69-I71 PolarHBondContact O-N 2.79Å; S69-I71 VanDerWaalsContact O-N 3.13Å; I71-W102 HydrophobicContact CG2-CG 4.13Å; I71-R103 PolarHBondContact O-NH1 3.37Å; I71-R103 PolarHBondContact O-NH2 2.85Å; I71-R103 VanDerWaalsContact O-NH2 3.07Å |
| 72 | N | 96.3 | Very high | 79.7 | Confident | 21 Ų | 21 | 123 Ų | 123 | 11% | 0.112 | 59% | 0.594 | C | S | . | * | trans | -87.2 | 124.8 | 176.2 | 178.2 | 9.4 | 0 | 0 | 0 | 110.6 | K74 I75 K77 W102 | N72-K74 PolarHBondContact OD1-N 3.47Å; N72-I75 PolarHBondContact ND2-O 3.29Å; N72-I75 WeakPolarHBondContact OD1-CB 3.42Å; N72-I75 PolarHBondContact OD1-N 2.98Å; N72-K77 VanDerWaalsContact O-CE 3.32Å; N72-K77 WeakPolarHBondContact O-CE 3.32Å; N72-K77 PolarHBondContact O-NZ 3.44Å; N72-W102 HydrophobicContact CB-CB 4.06Å; N72-W102 HydrophobicContact CB-CD2 3.66Å; N72-W102 HydrophobicContact CB-CE3 3.5Å; N72-W102 VanDerWaalsContact CB-CE3 3.5Å; N72-W102 HydrophobicContact CB-CG 3.95Å; N72-W102 HydrophobicContact CB-CZ3 4.14Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.33Å | ||
| 73 | L | 94.8 | Very high | 81.7 | Confident | 96 Ų | 96 | 118.2 Ų | 118.2 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -102.9 | -29.6 | 179.2 | -60.7 | 179.6 | 0 | 0 | 0 | 114.1 | L70 K77 | L70-L73 HydrophobicContact CB-CD2 4.22Å; L73-K77 WeakPolarHBondContact O-CE 3.32Å |
| 74 | K | 95.7 | Very high | 83.8 | Confident | 188 Ų | 188 | 111.8 Ų | 111.8 | 82% | 0.817 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -139.7 | -19.6 | -166.4 | -63.2 | -174.6 | -179.9 | -175.8 | 0 | 115.7 | N72 Q76 | N72-K74 PolarHBondContact OD1-N 3.47Å; K74-Q76 PolarHBondContact O-N 3.1Å |
| 75 | I | 97.5 | Very high | 85.9 | Confident | 28 Ų | 28 | 112.1 Ų | 112.1 | 14% | 0.144 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -81.8 | 121.6 | -169.8 | -63.2 | 162.6 | 0 | 0 | 0 | 108.7 | N72 K77 W102 F107 | N72-I75 PolarHBondContact ND2-O 3.29Å; N72-I75 WeakPolarHBondContact OD1-CB 3.42Å; N72-I75 PolarHBondContact OD1-N 2.98Å; I75-K77 PolarHBondContact O-N 2.9Å; I75-W102 HydrophobicContact CB-CE3 4.17Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.19Å; I75-W102 HydrophobicContact CD1-CE3 4.05Å; I75-W102 HydrophobicContact CG2-CE3 4.36Å; I75-W102 HydrophobicContact CG2-CZ3 4.31Å; I75-F107 HydrophobicContact CD1-CB 3.95Å; I75-F107 HydrophobicContact CD1-CD1 4.24Å; I75-F107 HydrophobicContact CD1-CD2 3.69Å; I75-F107 HydrophobicContact CD1-CE2 4.25Å; I75-F107 HydrophobicContact CD1-CG 3.68Å; I75-F107 HydrophobicContact CG2-CD1 3.71Å; I75-F107 HydrophobicContact CG2-CE1 3.95Å; I75-F107 HydrophobicContact CG2-CG 4.25Å |
| 76 | Q | 96.7 | Very high | 88 | Confident | 76 Ų | 76 | 107 Ų | 107 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | trans | 43.2 | 60.7 | 170.8 | -61.2 | 177.7 | 22.4 | 0 | 0 | 113.6 | K74 E78 N79 V82 | K74-Q76 PolarHBondContact O-N 3.1Å; Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 VanDerWaalsContact C-OE2 3.3Å; Q76-E78 WeakPolarHBondContact CA-OE2 3.26Å; Q76-E78 PolarHBondContact O-N 2.84Å; Q76-N79 HydrophobicContact CB-CB 4.2Å; Q76-N79 PolarHBondContact O-N 3.31Å; Q76-V82 HydrophobicContact CB-CG2 3.58Å | ||
| 77 | K | 97.3 | Very high | 90 | Very high | 110 Ų | 110 | 103 Ų | 103 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -19.8 | -174.7 | -72.8 | -57.8 | -165.3 | 169.7 | 0 | 113.9 | N72 L73 I75 N79 | N72-K77 VanDerWaalsContact O-CE 3.32Å; N72-K77 WeakPolarHBondContact O-CE 3.32Å; N72-K77 PolarHBondContact O-NZ 3.44Å; L73-K77 WeakPolarHBondContact O-CE 3.32Å; I75-K77 PolarHBondContact O-N 2.9Å; K77-N79 VanDerWaalsContact C-N 3.26Å |
| 78 | E | 96.7 | Very high | 91.7 | Very high | 159 Ų | 159 | 99.8 Ų | 99.8 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -25.1 | 168.9 | 65.6 | -77.3 | -179.4 | 0 | 0 | 112.5 | Q76 | Q76-E78 VanDerWaalsContact C-N 3.28Å; Q76-E78 VanDerWaalsContact C-OE2 3.3Å; Q76-E78 WeakPolarHBondContact CA-OE2 3.26Å; Q76-E78 PolarHBondContact O-N 2.84Å |
| 79 | N | 96 | Very high | 93.1 | Very high | 63 Ų | 63 | 101.4 Ų | 101.4 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -87.3 | 120.3 | 178.6 | -175 | -15 | 0 | 0 | 0 | 110 | Q76 K77 K81 V82 | Q76-N79 HydrophobicContact CB-CB 4.2Å; Q76-N79 PolarHBondContact O-N 3.31Å; K77-N79 VanDerWaalsContact C-N 3.26Å; N79-K81 PolarHBondContact ND2-O 2.91Å; N79-K81 PolarHBondContact O-N 3.33Å; N79-K81 PolarHBondContact OD1-N 3.49Å; N79-K81 PolarHBondContact OD1-O 2.93Å; N79-V82 HydrophobicContact CB-CG2 4Å |
| 80 | P | 96.1 | Very high | 93.5 | Very high | 134 Ų | 134 | 102.1 Ų | 102.1 | 87% | 0.87 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -62.4 | -25.6 | 179.4 | 26.1 | -35.4 | 0 | 0 | 0 | 113 | ||
| 81 | K | 97.5 | Very high | 93.1 | Very high | 165 Ų | 165 | 97.8 Ų | 97.8 | 72% | 0.717 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -149.7 | 103.6 | 177.8 | -169.6 | -178.3 | -171.5 | 179.3 | 0 | 111.1 | N79 V83 | N79-K81 PolarHBondContact ND2-O 2.91Å; N79-K81 PolarHBondContact O-N 3.33Å; N79-K81 PolarHBondContact OD1-N 3.49Å; N79-K81 PolarHBondContact OD1-O 2.93Å; K81-V83 HydrophobicContact CD-CG2 4.37Å; K81-V83 HydrophobicContact CG-CG2 4.12Å; K81-V83 PolarHBondContact O-N 3.38Å |
| 82 | V | 97.8 | Very high | 92 | Very high | 23 Ų | 23 | 98.5 Ų | 98.5 | 14% | 0.139 | 50% | 0.504 | C | S | . | . | trans | -78 | 119.1 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | Q76 N79 W102 F107 | Q76-V82 HydrophobicContact CB-CG2 3.58Å; N79-V82 HydrophobicContact CB-CG2 4Å; V82-W102 HydrophobicContact CB-CH2 3.72Å; V82-W102 HydrophobicContact CB-CZ3 3.82Å; V82-W102 HydrophobicContact CG1-CH2 3.94Å; V82-W102 HydrophobicContact CG1-CZ3 3.85Å; V82-W102 HydrophobicContact CG2-CZ3 4.28Å; V82-F107 HydrophobicContact CG1-CE1 4.05Å | ||
| 83 | V | 97.4 | Very high | 91 | Very high | 94 Ų | 94 | 103.4 Ų | 103.4 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | trans | -128.3 | 139.3 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 108 | K81 | K81-V83 HydrophobicContact CD-CG2 4.37Å; K81-V83 HydrophobicContact CG-CG2 4.12Å; K81-V83 PolarHBondContact O-N 3.38Å | ||
| 84 | N | 96.1 | Very high | 90.3 | Very high | 68 Ų | 68 | 101.9 Ų | 101.9 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | trans | -124 | 125.6 | 175.9 | -63.8 | 100.3 | 0 | 0 | 0 | 109.2 | F107 P108 | N84-F107 WeakPolarHBondContact OD1-CE1 3.47Å; N84-P108 HydrophobicContact CB-CB 3.94Å; N84-P108 HydrophobicContact CB-CG 4.15Å | ||
| 85 | E | 93.9 | Very high | 89.9 | Confident | 175 Ų | 175 | 99 Ų | 99 | 82% | 0.818 | 52% | 0.518 | S | S | * | . | trans | -98.1 | 138.7 | 175.2 | -65.7 | 177.2 | -173.1 | 0 | 0 | 109.2 | ||||
| 86 | I | 90.1 | Very high | 89.6 | Confident | 70 Ų | 70 | 98.4 Ų | 98.4 | 36% | 0.359 | 52% | 0.518 | S | S | . | . | trans | -134.4 | 118.7 | -179.9 | -57.5 | -64.9 | 0 | 0 | 0 | 107 | L91 Y98 | I86-L91 HydrophobicContact CG2-CD2 4.46Å; I86-Y98 HydrophobicContact CD1-CD1 4.48Å; I86-Y98 HydrophobicContact CD1-CE1 3.48Å; I86-Y98 VanDerWaalsContact CD1-CE1 3.48Å; I86-Y98 HydrophobicContact CG1-CD1 4.4Å; I86-Y98 HydrophobicContact CG1-CE1 3.65Å; I86-Y98 HydrophobicContact CG2-CE2 4.5Å; I86-Y98 VanDerWaalsContact CG2-OH 3.26Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å | ||
| 87 | N | 88.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -73.8 | 134.3 | 169.8 | -59.3 | -36.8 | 0 | 0 | 0 | 108.9 | E89 D90 | N87-E89 PolarHBondContact O-N 3.42Å; N87-D90 HydrophobicContact CB-CB 4.24Å; N87-D90 WeakPolarHBondContact CB-OD2 3.27Å; N87-D90 PolarHBondContact ND2-OD2 3.47Å; N87-D90 PolarHBondContact O-N 2.9Å | ||
| 88 | I | 85.8 | Confident | 89.5 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -72.8 | -27.8 | -176.7 | -60.6 | 177.6 | 0 | 0 | 0 | 110 | D90 L91 | I88-D90 VanDerWaalsContact C-N 3.34Å; I88-L91 HydrophobicContact CB-CD1 4.47Å; I88-L91 HydrophobicContact CG2-CD1 4.11Å; I88-L91 WeakPolarHBondContact O-CB 3.18Å; I88-L91 PolarHBondContact O-N 3.01Å |
| 89 | E | 82.5 | Confident | 89.6 | Confident | 141 Ų | 141 | 86.6 Ų | 86.6 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.8 | 179.6 | -59.6 | 71.1 | -153.2 | 0 | 0 | 111.1 | N87 L91 | N87-E89 PolarHBondContact O-N 3.42Å; E89-L91 PolarHBondContact O-N 3.22Å |
| 90 | D | 81.4 | Confident | 89.7 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.3 | -177.6 | -62.5 | -26 | 0 | 0 | 0 | 113.2 | N87 I88 C92 | N87-D90 HydrophobicContact CB-CB 4.24Å; N87-D90 WeakPolarHBondContact CB-OD2 3.27Å; N87-D90 PolarHBondContact ND2-OD2 3.47Å; N87-D90 PolarHBondContact O-N 2.9Å; I88-D90 VanDerWaalsContact C-N 3.34Å; D90-C92 VanDerWaalsContact C-N 3.32Å; D90-C92 PolarHBondContact O-N 3.28Å; D90-C92 PolarHBondContact O-SG 2.88Å |
| 91 | L | 82.2 | Confident | 89.8 | Confident | 14 Ų | 14 | 84.5 Ų | 84.5 | 7% | 0.073 | 44% | 0.441 | C | S | . | . | trans | -68.9 | 90.9 | 172.1 | -71.1 | 164.6 | 0 | 0 | 0 | 109.6 | I86 I88 E89 L93 A96 Y98 L130 | I86-L91 HydrophobicContact CG2-CD2 4.46Å; I88-L91 HydrophobicContact CB-CD1 4.47Å; I88-L91 HydrophobicContact CG2-CD1 4.11Å; I88-L91 WeakPolarHBondContact O-CB 3.18Å; I88-L91 PolarHBondContact O-N 3.01Å; E89-L91 PolarHBondContact O-N 3.22Å; L91-L93 PolarHBondContact O-N 3.39Å; L91-A96 HydrophobicContact CD2-CB 3.53Å; L91-Y98 HydrophobicContact CD2-CE2 4.34Å; L91-L130 HydrophobicContact CD1-CB 4.41Å; L91-L130 HydrophobicContact CD1-CD1 4.46Å | ||
| 92 | C | 72.1 | Confident | 89.8 | Confident | 128 Ų | 128 | 79.7 Ų | 79.7 | 87% | 0.865 | 42% | 0.418 | S | S | * | . | trans | -65 | -26.6 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 113 | D90 | D90-C92 VanDerWaalsContact C-N 3.32Å; D90-C92 PolarHBondContact O-N 3.28Å; D90-C92 PolarHBondContact O-SG 2.88Å | ||
| 93 | L | 75.9 | Confident | 89.8 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -100.5 | 142.4 | -178.2 | -63.1 | 172.2 | 0 | 0 | 0 | 110.4 | L91 K95 | L91-L93 PolarHBondContact O-N 3.39Å; L93-K95 PolarHBondContact O-N 2.94Å |
| 94 | A | 79.8 | Confident | 89.9 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -56.8 | -24.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K131 K132 | A94-K131 WeakPolarHBondContact O-CA 3.42Å; A94-K132 PolarHBondContact O-N 3Å |
| 95 | K | 85.9 | Confident | 89.9 | Confident | 126 Ų | 126 | 83.9 Ų | 83.9 | 55% | 0.548 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 123 | 178.9 | -172.6 | -176.9 | -179 | -171.9 | 0 | 110 | L93 I129 L130 K131 | L93-K95 PolarHBondContact O-N 2.94Å; K95-I129 HydrophobicContact CD-CG2 4.11Å; K95-I129 VanDerWaalsContact CE-CG2 3.4Å; K95-I129 HydrophobicContact CG-CG2 3.65Å; K95-L130 WeakPolarHBondContact CA-O 3.44Å; K95-K131 HydrophobicContact CG-CG 4.33Å |
| 96 | A | 92.1 | Very high | 90.1 | Very high | 16 Ų | 16 | 79.4 Ų | 79.4 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L91 Y98 I129 L130 | L91-A96 HydrophobicContact CD2-CB 3.53Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; A96-I129 CarbonylContact O-C 3.54Å; A96-I129 WeakPolarHBondContact O-CA 3.27Å; A96-L130 PolarHBondContact N-O 3.22Å; A96-L130 PolarHBondContact O-N 3.02Å |
| 97 | A | 95.6 | Very high | 90.4 | Very high | 34 Ų | 34 | 78 Ų | 78 | 28% | 0.281 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | C110 P127 L128 I129 | A97-C110 HydrophobicContact CB-CB 3.86Å; A97-C110 PolarHBondContact O-N 3.39Å; A97-P127 HydrophobicContact CB-CB 4.3Å; A97-L128 CarbonylContact C-O 3.59Å; A97-L128 WeakPolarHBondContact CA-O 3.41Å; A97-I129 HydrophobicContact CB-CD1 3.49Å; A97-I129 VanDerWaalsContact CB-CD1 3.49Å |
| 98 | Y | 97 | Very high | 90.8 | Very high | 46 Ų | 46 | 75.4 Ų | 75.4 | 18% | 0.18 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.3 | -180 | -71.2 | -85.5 | 0 | 0 | 0 | 111.5 | I86 L91 A96 P108 P127 L128 L130 | I86-Y98 HydrophobicContact CD1-CD1 4.48Å; I86-Y98 HydrophobicContact CD1-CE1 3.48Å; I86-Y98 VanDerWaalsContact CD1-CE1 3.48Å; I86-Y98 HydrophobicContact CG1-CD1 4.4Å; I86-Y98 HydrophobicContact CG1-CE1 3.65Å; I86-Y98 HydrophobicContact CG2-CE2 4.5Å; I86-Y98 VanDerWaalsContact CG2-OH 3.26Å; I86-Y98 WeakPolarHBondContact CG2-OH 3.25Å; L91-Y98 HydrophobicContact CD2-CE2 4.34Å; A96-Y98 HydrophobicContact CB-CD2 4.46Å; A96-Y98 HydrophobicContact CB-CE2 3.73Å; Y98-P108 WeakPolarHBondContact CA-O 3.26Å; Y98-P108 HydrophobicContact CD1-CB 4.3Å; Y98-P127 CarbonylContact O-C 3.56Å; Y98-P127 WeakPolarHBondContact O-CA 3.36Å; Y98-P127 VanDerWaalsContact O-CB 3.25Å; Y98-P127 WeakPolarHBondContact O-CB 3.34Å; Y98-L128 PolarHBondContact N-O 3.37Å; Y98-L128 PolarHBondContact O-N 3.04Å; Y98-L130 HydrophobicContact CD2-CD1 3.88Å; Y98-L130 HydrophobicContact CD2-CG 4.06Å; Y98-L130 HydrophobicContact CE2-CD1 3.67Å; Y98-L130 HydrophobicContact CE2-CG 4.18Å |
| 99 | C | 98.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | trans | -72 | 134.5 | -175.2 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | C101 W102 F107 P108 A109 | C99-C101 PolarHBondContact SG-N 3.03Å; C99-C101 PolarHBondContact SG-SG 3.39Å; C99-W102 PolarHBondContact SG-N 3.29Å; C99-W102 VanDerWaalsContact SG-N 3.39Å; C99-F107 HydrophobicContact CB-CD2 3.79Å; C99-F107 HydrophobicContact CB-CE2 4.13Å; C99-P108 PolarHBondContact N-O 2.97Å; C99-A109 WeakPolarHBondContact CB-O 3.47Å | ||
| 100 | R | 98.3 | Very high | 92 | Very high | 148 Ų | 148 | 66.5 Ų | 66.5 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -117.2 | -6.4 | 167.5 | -60.4 | -169.1 | -64.8 | 172.8 | -0.4 | 113.7 | G126 L128 | R100-G126 PolarHBondContact NE-O 2.77Å; R100-G126 PolarHBondContact NH2-O 3.39Å; R100-L128 HydrophobicContact CG-CB 4.35Å |
| 101 | C | 97.7 | Very high | 92.8 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -93.8 | -9.4 | -176 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | C99 R103 H114 V125 | C99-C101 PolarHBondContact SG-N 3.03Å; C99-C101 PolarHBondContact SG-SG 3.39Å; C101-R103 HydrophobicContact CB-CG 4.46Å; C101-R103 PolarHBondContact O-N 2.91Å; C101-R103 PolarHBondContact O-NH1 2.9Å; C101-H114 HydrophobicContact CB-CB 3.98Å; C101-V125 HydrophobicContact CB-CG2 3.75Å |
| 102 | W | 98.2 | Very high | 93.5 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 56.2 | 29.5 | -176.1 | -59.1 | 78.7 | 0 | 0 | 0 | 114.3 | I71 N72 I75 V82 C99 F107 | I71-W102 HydrophobicContact CG2-CG 4.13Å; N72-W102 HydrophobicContact CB-CB 4.06Å; N72-W102 HydrophobicContact CB-CD2 3.66Å; N72-W102 HydrophobicContact CB-CE3 3.5Å; N72-W102 VanDerWaalsContact CB-CE3 3.5Å; N72-W102 HydrophobicContact CB-CG 3.95Å; N72-W102 HydrophobicContact CB-CZ3 4.14Å; N72-W102 WeakPolarHBondContact ND2-CZ3 3.33Å; I75-W102 HydrophobicContact CB-CE3 4.17Å; I75-W102 HydrophobicContact CB-CZ3 4.5Å; I75-W102 HydrophobicContact CD1-CB 4.19Å; I75-W102 HydrophobicContact CD1-CE3 4.05Å; I75-W102 HydrophobicContact CG2-CE3 4.36Å; I75-W102 HydrophobicContact CG2-CZ3 4.31Å; V82-W102 HydrophobicContact CB-CH2 3.72Å; V82-W102 HydrophobicContact CB-CZ3 3.82Å; V82-W102 HydrophobicContact CG1-CH2 3.94Å; V82-W102 HydrophobicContact CG1-CZ3 3.85Å; V82-W102 HydrophobicContact CG2-CZ3 4.28Å; C99-W102 PolarHBondContact SG-N 3.29Å; C99-W102 VanDerWaalsContact SG-N 3.39Å; W102-F107 HydrophobicContact CD2-CE2 4.2Å; W102-F107 HydrophobicContact CD2-CZ 4.3Å; W102-F107 HydrophobicContact CE3-CE2 4.07Å; W102-F107 AromaticContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CH2-CZ 4.08Å; W102-F107 HydrophobicContact CZ2-CZ 4.49Å; W102-F107 HydrophobicContact CZ3-CE1 4.23Å; W102-F107 HydrophobicContact CZ3-CE2 4.42Å; W102-F107 AromaticContact CZ3-CZ 3.77Å; W102-F107 HydrophobicContact CZ3-CZ 3.77Å |
| 103 | R | 97.8 | Very high | 94.7 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | trans | -114.1 | -8.7 | 175.7 | -58.9 | -68.6 | 172.8 | -87.7 | -2.9 | 113.3 | I71 C101 S113 H117 | I71-R103 PolarHBondContact O-NH1 3.37Å; I71-R103 PolarHBondContact O-NH2 2.85Å; I71-R103 VanDerWaalsContact O-NH2 3.07Å; C101-R103 HydrophobicContact CB-CG 4.46Å; C101-R103 PolarHBondContact O-N 2.91Å; C101-R103 PolarHBondContact O-NH1 2.9Å; R103-S113 WeakPolarHBondContact O-CB 3.49Å; R103-S113 PolarHBondContact O-OG 3.47Å; R103-H117 HydrophobicContact CG-CB 4.16Å | ||
| 104 | S | 98 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | trans | -68.7 | 138.2 | -174.4 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | T106 A109 D111 | S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 3.48Å; S104-A109 VanDerWaalsContact CB-O 3.3Å; S104-A109 WeakPolarHBondContact CB-O 3.29Å; S104-A109 PolarHBondContact OG-O 2.95Å; S104-D111 WeakPolarHBondContact CA-OD1 3.24Å; S104-D111 WeakPolarHBondContact CB-OD1 3.19Å; S104-D111 PolarHBondContact OG-N 3.33Å; S104-D111 PolarHBondContact OG-OD1 3.39Å; S104-D111 PolarHBondContact OG-OD2 3.45Å | ||
| 105 | K | 97.4 | Very high | 96.7 | Very high | 195 Ų | 195 | 57.1 Ų | 57.1 | 85% | 0.848 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.5 | 173.4 | -65.1 | 178.3 | -178 | 178.8 | 0 | 112.1 | D111 | K105-D111 PolarHBondContact N-OD2 3.03Š|
| 106 | T | 96.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 58 Ų | 58 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 28.3 | 177.3 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | S104 A109 | S104-T106 VanDerWaalsContact C-N 3.35Å; S104-T106 PolarHBondContact OG-N 3.48Å; T106-A109 WeakPolarHBondContact O-CA 3.31Å; T106-A109 WeakPolarHBondContact O-CB 3.48Å; T106-A109 PolarHBondContact O-N 2.85Å |
| 107 | F | 97.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 18% | 0.18 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 129.6 | 178.6 | -172 | -88.8 | 0 | 0 | 0 | 110.7 | I75 V82 N84 C99 W102 | I75-F107 HydrophobicContact CD1-CB 3.95Å; I75-F107 HydrophobicContact CD1-CD1 4.24Å; I75-F107 HydrophobicContact CD1-CD2 3.69Å; I75-F107 HydrophobicContact CD1-CE2 4.25Å; I75-F107 HydrophobicContact CD1-CG 3.68Å; I75-F107 HydrophobicContact CG2-CD1 3.71Å; I75-F107 HydrophobicContact CG2-CE1 3.95Å; I75-F107 HydrophobicContact CG2-CG 4.25Å; V82-F107 HydrophobicContact CG1-CE1 4.05Å; N84-F107 WeakPolarHBondContact OD1-CE1 3.47Å; C99-F107 HydrophobicContact CB-CD2 3.79Å; C99-F107 HydrophobicContact CB-CE2 4.13Å; W102-F107 HydrophobicContact CD2-CE2 4.2Å; W102-F107 HydrophobicContact CD2-CZ 4.3Å; W102-F107 HydrophobicContact CE3-CE2 4.07Å; W102-F107 AromaticContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CE3-CZ 3.88Å; W102-F107 HydrophobicContact CH2-CZ 4.08Å; W102-F107 HydrophobicContact CZ2-CZ 4.49Å; W102-F107 HydrophobicContact CZ3-CE1 4.23Å; W102-F107 HydrophobicContact CZ3-CE2 4.42Å; W102-F107 AromaticContact CZ3-CZ 3.77Å; W102-F107 HydrophobicContact CZ3-CZ 3.77Å |
| 108 | P | 96.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 25% | 0.253 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -86.8 | -5.8 | 18.6 | 33.9 | -37.3 | 0 | 0 | 0 | 116.4 | N84 Y98 C99 | N84-P108 HydrophobicContact CB-CB 3.94Å; N84-P108 HydrophobicContact CB-CG 4.15Å; Y98-P108 WeakPolarHBondContact CA-O 3.26Å; Y98-P108 HydrophobicContact CD1-CB 4.3Å; C99-P108 PolarHBondContact N-O 2.97Å |
| 109 | A | 96.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -69.2 | 160.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C99 S104 T106 | C99-A109 WeakPolarHBondContact CB-O 3.47Å; S104-A109 VanDerWaalsContact CB-O 3.3Å; S104-A109 WeakPolarHBondContact CB-O 3.29Å; S104-A109 PolarHBondContact OG-O 2.95Å; T106-A109 WeakPolarHBondContact O-CA 3.31Å; T106-A109 WeakPolarHBondContact O-CB 3.48Å; T106-A109 PolarHBondContact O-N 2.85Å |
| 110 | C | 97.6 | Very high | 97.1 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -95.6 | 122.7 | 174.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | A97 G112 H114 P127 | A97-C110 HydrophobicContact CB-CB 3.86Å; A97-C110 PolarHBondContact O-N 3.39Å; C110-G112 PolarHBondContact SG-N 3.47Å; C110-G112 VanDerWaalsContact SG-N 3.44Å; C110-H114 VanDerWaalsContact SG-CE1 3.58Å; C110-H114 PolarHBondContact SG-ND1 3.43Å; C110-P127 HydrophobicContact CB-CB 3.77Å | ||
| 111 | D | 97.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | trans | -103.8 | 7.1 | 174.9 | 66.1 | -11.4 | 0 | 0 | 0 | 114.1 | S104 K105 S113 | S104-D111 WeakPolarHBondContact CA-OD1 3.24Å; S104-D111 WeakPolarHBondContact CB-OD1 3.19Å; S104-D111 PolarHBondContact OG-N 3.33Å; S104-D111 PolarHBondContact OG-OD1 3.39Å; S104-D111 PolarHBondContact OG-OD2 3.45Å; K105-D111 PolarHBondContact N-OD2 3.03Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.36Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-S113 PolarHBondContact OD2-OG 3.43Å | ||
| 112 | G | 97.5 | Very high | 96.4 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 86.6 | 1.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C110 H114 N115 | C110-G112 PolarHBondContact SG-N 3.47Å; C110-G112 VanDerWaalsContact SG-N 3.44Å; G112-H114 PolarHBondContact O-N 2.93Å; G112-N115 PolarHBondContact O-N 3.14Å; G112-N115 PolarHBondContact O-ND2 2.81Å |
| 113 | S | 98.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 69.8 Ų | 69.8 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.6 | -17.7 | 179.3 | -67.7 | 0 | 0 | 0 | 0 | 114.8 | R103 D111 N115 H117 | R103-S113 WeakPolarHBondContact O-CB 3.49Å; R103-S113 PolarHBondContact O-OG 3.47Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.36Å; D111-S113 PolarHBondContact OD1-OG 3.45Å; D111-S113 PolarHBondContact OD2-OG 3.43Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.83Å; S113-H117 PolarHBondContact O-N 3.47Å |
| 114 | H | 97.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.2 | -30 | 174.2 | 60.6 | -89.9 | 0 | 0 | 0 | 112.9 | C101 C110 G112 K116 H117 N118 V125 | C101-H114 HydrophobicContact CB-CB 3.98Å; C110-H114 VanDerWaalsContact SG-CE1 3.58Å; C110-H114 PolarHBondContact SG-ND1 3.43Å; G112-H114 PolarHBondContact O-N 2.93Å; H114-K116 PolarHBondContact O-N 3.41Å; H114-H117 PolarHBondContact O-N 3.15Å; H114-N118 WeakPolarHBondContact O-CB 3.33Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-OD1 3.18Å; H114-V125 HydrophobicContact CB-CG2 4.37Å |
| 115 | N | 98.1 | Very high | 96.2 | Very high | 101 Ų | 101 | 75.2 Ų | 75.2 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 179 | -67.9 | -37.6 | 0 | 0 | 0 | 111.4 | G112 S113 H117 N118 E119 | G112-N115 PolarHBondContact O-N 3.14Å; G112-N115 PolarHBondContact O-ND2 2.81Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 2.83Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-N 3.36Å; N115-N118 PolarHBondContact O-N 3.47Å; N115-E119 WeakPolarHBondContact O-CB 3.33Å; N115-E119 PolarHBondContact O-N 3.43Å |
| 116 | K | 97.3 | Very high | 96.2 | Very high | 144 Ų | 144 | 66.8 Ų | 66.8 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 176.7 | -177.3 | 173 | -177.6 | 171.7 | 0 | 112 | H114 L120 | H114-K116 PolarHBondContact O-N 3.41Å; K116-L120 HydrophobicContact CG-CD1 3.87Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.23Å; K116-L120 WeakPolarHBondContact O-CG 3.34Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-L120 VanDerWaalsContact O-N 3.12Å |
| 117 | H | 95.7 | Very high | 96.3 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 15% | 0.148 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 175.4 | 172.2 | 84.4 | 0 | 0 | 0 | 111.2 | R103 S113 H114 N115 L120 T121 D123 | R103-H117 HydrophobicContact CG-CB 4.16Å; S113-H117 PolarHBondContact O-N 3.47Å; H114-H117 PolarHBondContact O-N 3.15Å; N115-H117 VanDerWaalsContact C-N 3.31Å; N115-H117 PolarHBondContact O-N 3.36Å; H117-L120 PolarHBondContact O-N 3.04Å; H117-T121 WeakPolarHBondContact O-CB 3.48Å; H117-T121 WeakPolarHBondContact O-CG2 3.32Å; H117-T121 PolarHBondContact O-N 3.35Å; H117-T121 PolarHBondContact O-OG1 3.15Å; H117-D123 IonicContact CD2-OD2 3.53Å; H117-D123 IonicContact CE1-OD2 3.91Å; H117-D123 IonicContact NE2-OD2 2.79Å; H117-D123 PolarHBondContact NE2-OD2 2.84Å |
| 118 | N | 96.9 | Very high | 96.3 | Very high | 31 Ų | 31 | 66.8 Ų | 66.8 | 17% | 0.166 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178.2 | -69.2 | -4.4 | 0 | 0 | 0 | 111.5 | H114 N115 L120 T121 G122 D123 V125 | H114-N118 WeakPolarHBondContact O-CB 3.33Å; H114-N118 PolarHBondContact O-N 3.26Å; H114-N118 PolarHBondContact O-OD1 3.18Å; N115-N118 PolarHBondContact O-N 3.47Å; N118-L120 PolarHBondContact O-N 2.89Å; N118-T121 PolarHBondContact O-N 3.38Å; N118-G122 VanDerWaalsContact O-CA 3.32Å; N118-G122 WeakPolarHBondContact O-CA 2.98Å; N118-G122 PolarHBondContact O-N 3.48Å; N118-D123 WeakPolarHBondContact CB-O 3.41Å; N118-D123 PolarHBondContact O-N 3.23Å; N118-D123 PolarHBondContact OD1-O 3.09Å; N118-V125 PolarHBondContact ND2-O 2.9Å; N118-V125 VanDerWaalsContact OD1-CG2 3.23Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V125 PolarHBondContact OD1-N 2.73Å |
| 119 | E | 95.3 | Very high | 96.2 | Very high | 166 Ų | 166 | 68.2 Ų | 68.2 | 78% | 0.776 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.3 | -43.2 | 177.8 | -174.2 | -176.6 | -178.5 | 0 | 0 | 112.6 | N115 | N115-E119 WeakPolarHBondContact O-CB 3.33Å; N115-E119 PolarHBondContact O-N 3.43Å |
| 120 | L | 92 | Very high | 96 | Very high | 128 Ų | 128 | 69 Ų | 69 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -77.6 | -26.5 | -177.3 | -69.4 | 173.8 | 0 | 0 | 0 | 113.9 | K116 H117 N118 | K116-L120 HydrophobicContact CG-CD1 3.87Å; K116-L120 HydrophobicContact CG-CG 4.4Å; K116-L120 WeakPolarHBondContact O-CB 3.34Å; K116-L120 VanDerWaalsContact O-CG 3.23Å; K116-L120 WeakPolarHBondContact O-CG 3.34Å; K116-L120 PolarHBondContact O-N 3.41Å; K116-L120 VanDerWaalsContact O-N 3.12Å; H117-L120 PolarHBondContact O-N 3.04Å; N118-L120 PolarHBondContact O-N 2.89Å |
| 121 | T | 90.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 75.3 Ų | 75.3 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -112.2 | -14.5 | -171.2 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | H117 N118 D123 | H117-T121 WeakPolarHBondContact O-CB 3.48Å; H117-T121 WeakPolarHBondContact O-CG2 3.32Å; H117-T121 PolarHBondContact O-N 3.35Å; H117-T121 PolarHBondContact O-OG1 3.15Å; N118-T121 PolarHBondContact O-N 3.38Å; T121-D123 WeakPolarHBondContact OG1-CB 3.2Å; T121-D123 PolarHBondContact OG1-N 3.07Å |
| 122 | G | 91.4 | Very high | 95.1 | Very high | 74 Ų | 74 | 77.3 Ų | 77.3 | 76% | 0.763 | 42% | 0.421 | S | S | * | . | trans | 72.6 | 15.5 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | N118 | N118-G122 VanDerWaalsContact O-CA 3.32Å; N118-G122 WeakPolarHBondContact O-CA 2.98Å; N118-G122 PolarHBondContact O-N 3.48Å | ||
| 123 | D | 94.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 85 Ų | 85 | 34% | 0.342 | 45% | 0.448 | S | S | . | . | trans | -78.3 | 168.5 | 177.9 | -162.7 | 1.3 | 0 | 0 | 0 | 111.8 | H117 N118 T121 | H117-D123 IonicContact CD2-OD2 3.53Å; H117-D123 IonicContact CE1-OD2 3.91Å; H117-D123 IonicContact NE2-OD2 2.79Å; H117-D123 PolarHBondContact NE2-OD2 2.84Å; N118-D123 WeakPolarHBondContact CB-O 3.41Å; N118-D123 PolarHBondContact O-N 3.23Å; N118-D123 PolarHBondContact OD1-O 3.09Å; T121-D123 WeakPolarHBondContact OG1-CB 3.2Å; T121-D123 PolarHBondContact OG1-N 3.07Å | ||
| 124 | N | 97.1 | Very high | 93 | Very high | 147 Ų | 147 | 91.9 Ų | 91.9 | 79% | 0.786 | 48% | 0.477 | S | S | * | . | trans | -132 | 25.1 | -175.3 | 69.5 | -11.3 | 0 | 0 | 0 | 113.7 | ||||
| 125 | V | 97.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 100.8 Ų | 100.8 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | trans | -69.5 | 152.6 | 179.3 | -66.5 | 0 | 0 | 0 | 0 | 112.4 | C101 H114 N118 | C101-V125 HydrophobicContact CB-CG2 3.75Å; H114-V125 HydrophobicContact CB-CG2 4.37Å; N118-V125 PolarHBondContact ND2-O 2.9Å; N118-V125 VanDerWaalsContact OD1-CG2 3.23Å; N118-V125 WeakPolarHBondContact OD1-CG2 3.39Å; N118-V125 PolarHBondContact OD1-N 2.73Å | ||
| 126 | G | 98 | Very high | 91.2 | Very high | 19 Ų | 19 | 100.8 Ų | 100.8 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | trans | -149.5 | 170.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R100 | R100-G126 PolarHBondContact NE-O 2.77Å; R100-G126 PolarHBondContact NH2-O 3.39Å | ||
| 127 | P | 98.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 98.5 Ų | 98.5 | 23% | 0.227 | 53% | 0.527 | C | S | . | . | trans | -71.8 | 164.3 | -177.3 | 30.1 | -34.6 | 0 | 0 | 0 | 113.1 | A97 Y98 C110 I129 | A97-P127 HydrophobicContact CB-CB 4.3Å; Y98-P127 CarbonylContact O-C 3.56Å; Y98-P127 WeakPolarHBondContact O-CA 3.36Å; Y98-P127 VanDerWaalsContact O-CB 3.25Å; Y98-P127 WeakPolarHBondContact O-CB 3.34Å; C110-P127 HydrophobicContact CB-CB 3.77Å; P127-I129 HydrophobicContact CB-CD1 4.23Å; P127-I129 HydrophobicContact CG-CD1 3.87Å | ||
| 128 | L | 97.3 | Very high | 90.7 | Very high | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.8 | 161.1 | 176.3 | 63.6 | 0 | 0 | 0 | 108.3 | A97 Y98 R100 L130 | A97-L128 CarbonylContact C-O 3.59Å; A97-L128 WeakPolarHBondContact CA-O 3.41Å; Y98-L128 PolarHBondContact N-O 3.37Å; Y98-L128 PolarHBondContact O-N 3.04Å; R100-L128 HydrophobicContact CG-CB 4.35Å; L128-L130 HydrophobicContact CD2-CD2 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.12Å |
| 129 | I | 94.9 | Very high | 90.3 | Very high | 68 Ų | 68 | 106.4 Ų | 106.4 | 35% | 0.349 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.5 | 178.8 | -55.8 | -57.6 | 0 | 0 | 0 | 108.9 | K95 A96 A97 P127 K131 | K95-I129 HydrophobicContact CD-CG2 4.11Å; K95-I129 VanDerWaalsContact CE-CG2 3.4Å; K95-I129 HydrophobicContact CG-CG2 3.65Å; A96-I129 CarbonylContact O-C 3.54Å; A96-I129 WeakPolarHBondContact O-CA 3.27Å; A97-I129 HydrophobicContact CB-CD1 3.49Å; A97-I129 VanDerWaalsContact CB-CD1 3.49Å; P127-I129 HydrophobicContact CB-CD1 4.23Å; P127-I129 HydrophobicContact CG-CD1 3.87Å; I129-K131 HydrophobicContact CG2-CG 4.11Å |
| 130 | L | 92.5 | Very high | 90 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 29% | 0.293 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 127.2 | 169.9 | -57.7 | -174.4 | 0 | 0 | 0 | 108.5 | L91 K95 A96 Y98 L128 | L91-L130 HydrophobicContact CD1-CB 4.41Å; L91-L130 HydrophobicContact CD1-CD1 4.46Å; K95-L130 WeakPolarHBondContact CA-O 3.44Å; A96-L130 PolarHBondContact N-O 3.22Å; A96-L130 PolarHBondContact O-N 3.02Å; Y98-L130 HydrophobicContact CD2-CD1 3.88Å; Y98-L130 HydrophobicContact CD2-CG 4.06Å; Y98-L130 HydrophobicContact CE2-CD1 3.67Å; Y98-L130 HydrophobicContact CE2-CG 4.18Å; L128-L130 HydrophobicContact CD2-CD2 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.12Å |
| 131 | K | 90 | Very high | 89.8 | Confident | 160 Ų | 160 | 101 Ų | 101 | 70% | 0.696 | 55% | 0.55 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.3 | 175.2 | -65.5 | -176.6 | -178.7 | 179.5 | 0 | 108.5 | A94 K95 I129 | A94-K131 WeakPolarHBondContact O-CA 3.42Å; K95-K131 HydrophobicContact CG-CG 4.33Å; I129-K131 HydrophobicContact CG2-CG 4.11Å |
| 132 | K | 85.2 | Confident | 89.8 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 46% | 0.457 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 124.6 | 169.7 | -168.6 | 168.6 | -177.2 | 168.1 | 0 | 107.2 | A94 E134 | A94-K132 PolarHBondContact O-N 3Å; K132-E134 PolarHBondContact O-N 3.2Å |
| 133 | K | 80.4 | Confident | 89.7 | Confident | 185 Ų | 185 | 104.4 Ų | 104.4 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 128.7 | 173.8 | -167.1 | -179.6 | 177.1 | -174.2 | 0 | 107.3 | V135 | K133-V135 PolarHBondContact O-N 3.46Š|
| 134 | E | 71.4 | Confident | 89.2 | Confident | 176 Ų | 176 | 107.8 Ų | 107.8 | 82% | 0.822 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.7 | 167.5 | -67.9 | 177.1 | -177.6 | 0 | 0 | 107.2 | K132 | K132-E134 PolarHBondContact O-N 3.2Š|
| 135 | V | 68 | Low | 88.5 | Confident | 210 Ų | 210 | 104.2 Ų | 104.2 | 100% | 1.273 | 53% | 0.531 | S | S | * | . | trans | -93.7 | 0 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | K133 | K133-V135 PolarHBondContact O-N 3.46Š|
Retrieved 135 of 135 residues in 70.6 ms
(Link to these results)