| 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 | 54.5 | Low | 82.2 | Confident | 235 Ų | 235 | 109.2 Ų | 109.2 | 100% | 1.158 | 60% | 0.6 | S | S | * | * | 0 | 121.8 | 0 | -74.3 | 179.5 | 170.7 | 0 | 0 | 106.5 | T3 | M1-T3 PolarHBondContact O-N 3.32Š| |||
| 2 | A | 62.6 | Low | 82.6 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | trans | -63.2 | 126.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109 | E6 | A2-E6 WeakPolarHBondContact CA-OE2 3.24Š| ||
| 3 | T | 85.1 | Confident | 83.1 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 45% | 0.448 | 59% | 0.589 | S | S | . | * | trans | -75.4 | 154.1 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 109.9 | M1 S5 E6 L7 | M1-T3 PolarHBondContact O-N 3.32Å; T3-S5 PolarHBondContact O-N 3.44Å; T3-S5 VanDerWaalsContact O-N 3.12Å; T3-E6 PolarHBondContact N-OE2 3.13Å; T3-E6 PolarHBondContact O-N 3.39Å; T3-E6 VanDerWaalsContact OG1-CD 3.31Å; T3-E6 VanDerWaalsContact OG1-CG 3.31Å; T3-E6 WeakPolarHBondContact OG1-CG 3.43Å; T3-E6 PolarHBondContact OG1-N 3.22Å; T3-E6 PolarHBondContact OG1-OE2 2.82Å; T3-E6 VanDerWaalsContact OG1-OE2 3.04Å; T3-L7 PolarHBondContact O-N 3.24Å; T3-L7 VanDerWaalsContact O-N 3.13Å | ||
| 4 | I | 84.7 | Confident | 83.5 | Confident | 156 Ų | 156 | 114.2 Ų | 114.2 | 80% | 0.8 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -56.4 | -30.2 | 178 | -66.3 | 167.5 | 0 | 0 | 0 | 111.3 | K8 | I4-K8 WeakPolarHBondContact O-CB 3.28Å; I4-K8 PolarHBondContact O-N 3.38Å |
| 5 | S | 85.9 | Confident | 83.8 | Confident | 70 Ų | 70 | 109.4 Ų | 109.4 | 49% | 0.49 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.6 | -48.5 | 175.2 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | T3 L7 K8 D9 | T3-S5 PolarHBondContact O-N 3.44Å; T3-S5 VanDerWaalsContact O-N 3.12Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.16Å; S5-K8 WeakPolarHBondContact O-CB 3.15Å; S5-K8 PolarHBondContact O-N 3.08Å; S5-K8 VanDerWaalsContact O-N 3.15Å; S5-D9 PolarHBondContact O-N 2.93Å |
| 6 | E | 87.8 | Confident | 83.9 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -37.4 | 179.7 | -70.7 | 164.1 | 152.2 | 0 | 0 | 111.4 | A2 T3 A10 | A2-E6 WeakPolarHBondContact CA-OE2 3.24Å; T3-E6 PolarHBondContact N-OE2 3.13Å; T3-E6 PolarHBondContact O-N 3.39Å; T3-E6 VanDerWaalsContact OG1-CD 3.31Å; T3-E6 VanDerWaalsContact OG1-CG 3.31Å; T3-E6 WeakPolarHBondContact OG1-CG 3.43Å; T3-E6 PolarHBondContact OG1-N 3.22Å; T3-E6 PolarHBondContact OG1-OE2 2.82Å; T3-E6 VanDerWaalsContact OG1-OE2 3.04Å; E6-A10 VanDerWaalsContact O-CB 3.26Å; E6-A10 WeakPolarHBondContact O-CB 3.35Å; E6-A10 PolarHBondContact O-N 3.43Å |
| 7 | L | 86.6 | Confident | 84 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.4 | -43.7 | 174.9 | -176.1 | 62 | 0 | 0 | 0 | 111.8 | T3 S5 A10 M11 | T3-L7 PolarHBondContact O-N 3.24Å; T3-L7 VanDerWaalsContact O-N 3.13Å; S5-L7 VanDerWaalsContact C-N 3.27Å; S5-L7 PolarHBondContact O-N 3.16Å; L7-A10 PolarHBondContact O-N 3.13Å; L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 WeakPolarHBondContact O-CG 3.33Å; L7-M11 PolarHBondContact O-N 3.34Å |
| 8 | K | 87.7 | Confident | 84.1 | Confident | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -43.6 | 177.2 | 177.4 | -177 | 168.8 | -175.8 | 0 | 111.7 | I4 S5 M11 R12 | I4-K8 WeakPolarHBondContact O-CB 3.28Å; I4-K8 PolarHBondContact O-N 3.38Å; S5-K8 WeakPolarHBondContact O-CB 3.15Å; S5-K8 PolarHBondContact O-N 3.08Å; S5-K8 VanDerWaalsContact O-N 3.15Å; K8-M11 PolarHBondContact O-N 2.75Å; K8-R12 WeakPolarHBondContact O-CB 3Å; K8-R12 PolarHBondContact O-N 3.47Å |
| 9 | D | 90.5 | Very high | 83.9 | Confident | 68 Ų | 68 | 108.6 Ų | 108.6 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.1 | -39.5 | -179.4 | -70 | -34.4 | 0 | 0 | 0 | 111.9 | S5 M11 R12 Q13 | S5-D9 PolarHBondContact O-N 2.93Å; D9-M11 PolarHBondContact O-N 3.12Å; D9-R12 PolarHBondContact O-N 3.46Å; D9-R12 IonicContact OD1-NH1 2.74Å; D9-Q13 PolarHBondContact O-N 3.32Å |
| 10 | A | 90.7 | Very high | 84 | Confident | 50 Ų | 50 | 104.6 Ų | 104.6 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E6 L7 K14 | E6-A10 VanDerWaalsContact O-CB 3.26Å; E6-A10 WeakPolarHBondContact O-CB 3.35Å; E6-A10 PolarHBondContact O-N 3.43Å; L7-A10 PolarHBondContact O-N 3.13Å; A10-K14 PolarHBondContact O-N 2.76Å |
| 11 | M | 87.8 | Confident | 84.1 | Confident | 111 Ų | 111 | 100.9 Ų | 100.9 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.3 | -76.1 | -172.7 | 75.7 | 0 | 0 | 111.9 | L7 K8 D9 K14 L15 | L7-M11 WeakPolarHBondContact O-CB 3.27Å; L7-M11 WeakPolarHBondContact O-CG 3.33Å; L7-M11 PolarHBondContact O-N 3.34Å; K8-M11 PolarHBondContact O-N 2.75Å; D9-M11 PolarHBondContact O-N 3.12Å; M11-K14 PolarHBondContact O-N 3.3Å; M11-L15 WeakPolarHBondContact O-CB 3.34Å; M11-L15 VanDerWaalsContact O-CG 3.26Å; M11-L15 WeakPolarHBondContact O-CG 3.37Å; M11-L15 PolarHBondContact O-N 2.81Å |
| 12 | R | 87.5 | Confident | 85.1 | Confident | 108 Ų | 108 | 91.7 Ų | 91.7 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 175.5 | 175.1 | -177.1 | -79.8 | 157.7 | -15.1 | 110.8 | K8 D9 K14 L15 E16 M21 | K8-R12 WeakPolarHBondContact O-CB 3Å; K8-R12 PolarHBondContact O-N 3.47Å; D9-R12 PolarHBondContact O-N 3.46Å; D9-R12 IonicContact OD1-NH1 2.74Å; R12-K14 VanDerWaalsContact C-N 3.32Å; R12-K14 PolarHBondContact O-N 2.83Å; R12-L15 PolarHBondContact O-N 2.97Å; R12-L15 VanDerWaalsContact O-N 3.13Å; R12-E16 HydrophobicContact CG-CG 4.37Å; R12-E16 WeakPolarHBondContact CG-OE1 3.36Å; R12-E16 WeakPolarHBondContact O-CB 3.16Å; R12-E16 WeakPolarHBondContact O-CG 3.25Å; R12-E16 PolarHBondContact O-N 3.24Å; R12-M21 HydrophobicContact CB-CE 4.19Å; R12-M21 HydrophobicContact CG-CE 3.92Å |
| 13 | Q | 89.4 | Confident | 85.7 | Confident | 138 Ų | 138 | 91.8 Ų | 91.8 | 65% | 0.645 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59 | -40.8 | 178.3 | -88 | -177.5 | -13.3 | 0 | 0 | 112.5 | D9 L15 E16 S17 | D9-Q13 PolarHBondContact O-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.93Å; Q13-E16 PolarHBondContact O-N 3.38Å; Q13-S17 WeakPolarHBondContact O-CB 3.24Å; Q13-S17 PolarHBondContact O-N 3.21Å; Q13-S17 PolarHBondContact O-OG 2.86Å |
| 14 | K | 88.4 | Confident | 85.6 | Confident | 152 Ų | 152 | 92.1 Ų | 92.1 | 66% | 0.661 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66 | -35.7 | 175.9 | -80.2 | -143.5 | -175.6 | -173.6 | 0 | 113.5 | A10 M11 R12 S17 R18 | A10-K14 PolarHBondContact O-N 2.76Å; M11-K14 PolarHBondContact O-N 3.3Å; R12-K14 VanDerWaalsContact C-N 3.32Å; R12-K14 PolarHBondContact O-N 2.83Å; K14-S17 PolarHBondContact O-OG 3.28Å; K14-R18 WeakPolarHBondContact O-CB 3.42Å; K14-R18 WeakPolarHBondContact O-CD 3.15Å; K14-R18 VanDerWaalsContact O-CG 3.22Å; K14-R18 WeakPolarHBondContact O-CG 3.3Å; K14-R18 PolarHBondContact O-N 2.83Å |
| 15 | L | 87.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 89.3 Ų | 89.3 | 22% | 0.22 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -75.7 | -31.7 | 177.6 | -68.9 | 170.5 | 0 | 0 | 0 | 111.5 | M11 R12 Q13 G19 V20 M21 | M11-L15 WeakPolarHBondContact O-CB 3.34Å; M11-L15 VanDerWaalsContact O-CG 3.26Å; M11-L15 WeakPolarHBondContact O-CG 3.37Å; M11-L15 PolarHBondContact O-N 2.81Å; R12-L15 PolarHBondContact O-N 2.97Å; R12-L15 VanDerWaalsContact O-N 3.13Å; Q13-L15 PolarHBondContact O-N 2.93Å; L15-G19 PolarHBondContact O-N 3.48Å; L15-V20 HydrophobicContact CB-CG2 3.94Å; L15-V20 HydrophobicContact CD2-CG2 3.41Å; L15-V20 VanDerWaalsContact CD2-CG2 3.41Å; L15-V20 HydrophobicContact CG-CG2 4.28Å; L15-V20 VanDerWaalsContact O-CG2 3.3Å; L15-V20 WeakPolarHBondContact O-CG2 3.39Å; L15-V20 PolarHBondContact O-N 2.9Å; L15-M21 HydrophobicContact CB-CB 4.24Å; L15-M21 HydrophobicContact CB-CE 3.5Å; L15-M21 VanDerWaalsContact CB-CE 3.5Å; L15-M21 HydrophobicContact CD1-CE 3.78Å; L15-M21 HydrophobicContact CG-CE 4.29Å; L15-M21 PolarHBondContact O-N 3.12Å |
| 16 | E | 86.3 | Confident | 85 | Confident | 92 Ų | 92 | 87 Ų | 87 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.8 | -46.1 | 173.1 | -74.5 | 173.5 | 173.2 | 0 | 0 | 111.5 | R12 Q13 R18 G19 M21 | R12-E16 HydrophobicContact CG-CG 4.37Å; R12-E16 WeakPolarHBondContact CG-OE1 3.36Å; R12-E16 WeakPolarHBondContact O-CB 3.16Å; R12-E16 WeakPolarHBondContact O-CG 3.25Å; R12-E16 PolarHBondContact O-N 3.24Å; Q13-E16 PolarHBondContact O-N 3.38Å; E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 2.88Å; E16-G19 WeakPolarHBondContact O-CA 3.46Å; E16-G19 PolarHBondContact O-N 3.35Å; E16-M21 HydrophobicContact CB-CB 4.47Å; E16-M21 HydrophobicContact CG-CB 3.67Å; E16-M21 HydrophobicContact CG-CE 4.49Å; E16-M21 HydrophobicContact CG-CG 3.68Å |
| 17 | S | 85.8 | Confident | 84.5 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 71% | 0.706 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.3 | -28.3 | 178.4 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | Q13 K14 G19 | Q13-S17 WeakPolarHBondContact O-CB 3.24Å; Q13-S17 PolarHBondContact O-N 3.21Å; Q13-S17 PolarHBondContact O-OG 2.86Å; K14-S17 PolarHBondContact O-OG 3.28Å; S17-G19 VanDerWaalsContact C-N 3.28Å |
| 18 | R | 85.4 | Confident | 84.4 | Confident | 182 Ų | 182 | 90.3 Ų | 90.3 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.5 | 171 | -71.9 | 175.5 | 65.7 | -167 | 0.6 | 113.6 | K14 E16 V20 | K14-R18 WeakPolarHBondContact O-CB 3.42Å; K14-R18 WeakPolarHBondContact O-CD 3.15Å; K14-R18 VanDerWaalsContact O-CG 3.22Å; K14-R18 WeakPolarHBondContact O-CG 3.3Å; K14-R18 PolarHBondContact O-N 2.83Å; E16-R18 VanDerWaalsContact C-N 3.27Å; E16-R18 PolarHBondContact O-N 2.88Å; R18-V20 HydrophobicContact CB-CG1 4.38Å; R18-V20 HydrophobicContact CB-CG2 4.07Å; R18-V20 PolarHBondContact O-N 3.2Å |
| 19 | G | 80.2 | Confident | 84 | Confident | 47 Ų | 47 | 92.2 Ų | 92.2 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L15 E16 S17 | L15-G19 PolarHBondContact O-N 3.48Å; E16-G19 WeakPolarHBondContact O-CA 3.46Å; E16-G19 PolarHBondContact O-N 3.35Å; S17-G19 VanDerWaalsContact C-N 3.28Å |
| 20 | V | 86.6 | Confident | 83.2 | Confident | 29 Ų | 29 | 91.5 Ų | 91.5 | 18% | 0.176 | 46% | 0.461 | C | S | . | . | trans | -87.3 | -16.8 | -175.5 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | L15 R18 G22 Q23 L24 | L15-V20 HydrophobicContact CB-CG2 3.94Å; L15-V20 HydrophobicContact CD2-CG2 3.41Å; L15-V20 VanDerWaalsContact CD2-CG2 3.41Å; L15-V20 HydrophobicContact CG-CG2 4.28Å; L15-V20 VanDerWaalsContact O-CG2 3.3Å; L15-V20 WeakPolarHBondContact O-CG2 3.39Å; L15-V20 PolarHBondContact O-N 2.9Å; R18-V20 HydrophobicContact CB-CG1 4.38Å; R18-V20 HydrophobicContact CB-CG2 4.07Å; R18-V20 PolarHBondContact O-N 3.2Å; V20-G22 VanDerWaalsContact C-N 3.26Å; V20-G22 PolarHBondContact O-N 2.85Å; V20-Q23 WeakPolarHBondContact O-CB 3.49Å; V20-Q23 PolarHBondContact O-N 3.49Å; V20-Q23 VanDerWaalsContact O-N 3.11Å; V20-L24 HydrophobicContact CB-CD1 4.4Å; V20-L24 WeakPolarHBondContact O-CD1 3.39Å; V20-L24 PolarHBondContact O-N 2.94Å | ||
| 21 | M | 84.9 | Confident | 82.6 | Confident | 27 Ų | 27 | 94.9 Ų | 94.9 | 13% | 0.133 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.3 | -35.6 | 179.9 | -178.7 | 59.3 | 65.4 | 0 | 0 | 112.8 | R12 L15 E16 K25 | R12-M21 HydrophobicContact CB-CE 4.19Å; R12-M21 HydrophobicContact CG-CE 3.92Å; L15-M21 HydrophobicContact CB-CB 4.24Å; L15-M21 HydrophobicContact CB-CE 3.5Å; L15-M21 VanDerWaalsContact CB-CE 3.5Å; L15-M21 HydrophobicContact CD1-CE 3.78Å; L15-M21 HydrophobicContact CG-CE 4.29Å; L15-M21 PolarHBondContact O-N 3.12Å; E16-M21 HydrophobicContact CB-CB 4.47Å; E16-M21 HydrophobicContact CG-CB 3.67Å; E16-M21 HydrophobicContact CG-CE 4.49Å; E16-M21 HydrophobicContact CG-CG 3.68Å; M21-K25 HydrophobicContact CG-CD 4.31Å; M21-K25 WeakPolarHBondContact O-CG 3.31Å; M21-K25 PolarHBondContact O-N 3.04Å; M21-K25 HydrophobicContact SD-CD 4.49Å; M21-K25 HydrophobicContact SD-CG 4.35Å |
| 22 | G | 76.9 | Confident | 82.2 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V20 K25 A26 | V20-G22 VanDerWaalsContact C-N 3.26Å; V20-G22 PolarHBondContact O-N 2.85Å; G22-K25 PolarHBondContact O-N 3.43Å; G22-A26 WeakPolarHBondContact O-CB 3.26Å; G22-A26 PolarHBondContact O-N 2.81Å |
| 23 | Q | 73.7 | Confident | 80.9 | Confident | 92 Ų | 92 | 93.4 Ų | 93.4 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 178.3 | -62.7 | 172 | 11.8 | 0 | 0 | 111.6 | V20 A26 R27 H68 | V20-Q23 WeakPolarHBondContact O-CB 3.49Å; V20-Q23 PolarHBondContact O-N 3.49Å; V20-Q23 VanDerWaalsContact O-N 3.11Å; Q23-A26 PolarHBondContact O-N 3.07Å; Q23-R27 WeakPolarHBondContact O-CB 3.42Å; Q23-R27 PolarHBondContact O-N 3.13Å; Q23-H68 VanDerWaalsContact CG-CE1 3.48Å; Q23-H68 WeakPolarHBondContact CG-CE1 3.49Å; Q23-H68 PolarHBondContact NE2-CE1 3.18Å; Q23-H68 PolarHBondContact NE2-NE2 3.07Å |
| 24 | L | 83.5 | Confident | 79.7 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 42% | 0.419 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.4 | -91.5 | 89.2 | 0 | 0 | 0 | 111.3 | V20 A26 R27 I28 | V20-L24 HydrophobicContact CB-CD1 4.4Å; V20-L24 WeakPolarHBondContact O-CD1 3.39Å; V20-L24 PolarHBondContact O-N 2.94Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.32Å; L24-R27 PolarHBondContact O-N 2.79Å; L24-I28 WeakPolarHBondContact O-CB 3.38Å; L24-I28 WeakPolarHBondContact O-CD1 3.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 3.34Å |
| 25 | K | 81.8 | Confident | 79 | Confident | 97 Ų | 97 | 86.5 Ų | 86.5 | 42% | 0.422 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.8 | -75 | 176.3 | -178.5 | 173.8 | 0 | 112.1 | M21 G22 R29 | M21-K25 HydrophobicContact CG-CD 4.31Å; M21-K25 WeakPolarHBondContact O-CG 3.31Å; M21-K25 PolarHBondContact O-N 3.04Å; M21-K25 HydrophobicContact SD-CD 4.49Å; M21-K25 HydrophobicContact SD-CG 4.35Å; G22-K25 PolarHBondContact O-N 3.43Å; K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 VanDerWaalsContact O-CG 3.28Å; K25-R29 WeakPolarHBondContact O-CG 3.36Å; K25-R29 PolarHBondContact O-N 3.12Å |
| 26 | A | 75.9 | Confident | 78 | Confident | 20 Ų | 20 | 90.5 Ų | 90.5 | 17% | 0.165 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G22 Q23 L24 I28 R29 A30 V72 | G22-A26 WeakPolarHBondContact O-CB 3.26Å; G22-A26 PolarHBondContact O-N 2.81Å; Q23-A26 PolarHBondContact O-N 3.07Å; L24-A26 VanDerWaalsContact C-N 3.35Å; L24-A26 PolarHBondContact O-N 3.32Å; A26-I28 PolarHBondContact O-N 3.17Å; A26-R29 WeakPolarHBondContact O-CB 3.19Å; A26-R29 PolarHBondContact O-N 3.19Å; A26-A30 PolarHBondContact O-N 3.46Å; A26-V72 HydrophobicContact CB-CG2 3.86Å |
| 27 | R | 77.9 | Confident | 76.6 | Confident | 191 Ų | 191 | 88.1 Ų | 88.1 | 72% | 0.721 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 177.2 | -171.3 | 173.3 | -179.1 | 178.6 | 0.9 | 112.1 | Q23 L24 R29 A30 E31 | Q23-R27 WeakPolarHBondContact O-CB 3.42Å; Q23-R27 PolarHBondContact O-N 3.13Å; L24-R27 PolarHBondContact O-N 2.79Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R27-A30 PolarHBondContact O-N 3.43Å; R27-E31 WeakPolarHBondContact O-CB 3.42Å; R27-E31 PolarHBondContact O-N 2.9Å |
| 28 | I | 85.3 | Confident | 75 | Confident | 99 Ų | 99 | 92.1 Ų | 92.1 | 51% | 0.508 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 173.1 | -70.4 | 164.3 | 0 | 0 | 0 | 110 | L24 A26 A30 E31 V32 | L24-I28 WeakPolarHBondContact O-CB 3.38Å; L24-I28 WeakPolarHBondContact O-CD1 3.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 3.34Å; A26-I28 PolarHBondContact O-N 3.17Å; I28-A30 PolarHBondContact O-N 2.91Å; I28-E31 PolarHBondContact O-N 3.15Å; I28-V32 HydrophobicContact CG2-CG2 4.05Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.41Å; I28-V32 WeakPolarHBondContact O-CG2 3.21Å; I28-V32 PolarHBondContact O-N 3.35Å |
| 29 | R | 77.7 | Confident | 73.4 | Confident | 169 Ų | 169 | 92 Ų | 92 | 64% | 0.638 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.4 | -48.7 | 176.4 | -76.8 | 173.1 | -176.6 | 164.1 | -1.7 | 111.1 | K25 A26 R27 V32 F33 | K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 VanDerWaalsContact O-CG 3.28Å; K25-R29 WeakPolarHBondContact O-CG 3.36Å; K25-R29 PolarHBondContact O-N 3.12Å; A26-R29 WeakPolarHBondContact O-CB 3.19Å; A26-R29 PolarHBondContact O-N 3.19Å; R27-R29 VanDerWaalsContact C-N 3.34Å; R29-V32 PolarHBondContact O-N 2.91Å; R29-F33 VanDerWaalsContact O-CB 3.3Å; R29-F33 WeakPolarHBondContact O-CB 3.28Å; R29-F33 PolarHBondContact O-N 2.59Å |
| 30 | A | 74.3 | Confident | 72.2 | Confident | 54 Ų | 54 | 95.3 Ų | 95.3 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 R27 I28 F33 S34 | A26-A30 PolarHBondContact O-N 3.46Å; R27-A30 PolarHBondContact O-N 3.43Å; I28-A30 PolarHBondContact O-N 2.91Å; A30-F33 PolarHBondContact O-N 3.38Å; A30-S34 WeakPolarHBondContact O-CB 3.47Å; A30-S34 PolarHBondContact O-N 2.87Å |
| 31 | E | 77.6 | Confident | 70.7 | Confident | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | -179.9 | -159 | 69 | -151.5 | 0 | 0 | 111.9 | R27 I28 F33 S34 A35 | R27-E31 WeakPolarHBondContact O-CB 3.42Å; R27-E31 PolarHBondContact O-N 2.9Å; I28-E31 PolarHBondContact O-N 3.15Å; E31-F33 VanDerWaalsContact C-N 3.33Å; E31-S34 PolarHBondContact O-N 3.32Å; E31-A35 VanDerWaalsContact O-CB 3.28Å; E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.38Å |
| 32 | V | 80.1 | Confident | 69 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 109.9 | I28 R29 S34 A35 L36 | I28-V32 HydrophobicContact CG2-CG2 4.05Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.41Å; I28-V32 WeakPolarHBondContact O-CG2 3.21Å; I28-V32 PolarHBondContact O-N 3.35Å; R29-V32 PolarHBondContact O-N 2.91Å; V32-S34 VanDerWaalsContact C-N 3.33Å; V32-S34 PolarHBondContact O-N 2.88Å; V32-A35 PolarHBondContact O-N 3.45Å; V32-L36 HydrophobicContact CG1-CD1 3.72Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.35Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 2.94Å |
| 33 | F | 59.8 | Low | 68.1 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.1 | -132.9 | -77.6 | 0 | 0 | 0 | 111.7 | R29 A30 E31 L36 D37 R40 | R29-F33 VanDerWaalsContact O-CB 3.3Å; R29-F33 WeakPolarHBondContact O-CB 3.28Å; R29-F33 PolarHBondContact O-N 2.59Å; A30-F33 PolarHBondContact O-N 3.38Å; E31-F33 VanDerWaalsContact C-N 3.33Å; F33-L36 PolarHBondContact O-N 3.38Å; F33-D37 WeakPolarHBondContact O-CB 3.45Å; F33-D37 PolarHBondContact O-N 3.03Å; F33-D37 VanDerWaalsContact O-N 3.08Å; F33-R40 VanDerWaalsContact CE1-NH2 3.27Å |
| 34 | S | 65.3 | Low | 67.4 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -39.3 | 177.6 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | A30 E31 V32 L36 D37 | A30-S34 WeakPolarHBondContact O-CB 3.47Å; A30-S34 PolarHBondContact O-N 2.87Å; E31-S34 PolarHBondContact O-N 3.32Å; V32-S34 VanDerWaalsContact C-N 3.33Å; V32-S34 PolarHBondContact O-N 2.88Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-D37 VanDerWaalsContact O-CB 3.24Å; S34-D37 WeakPolarHBondContact O-CB 3.26Å; S34-D37 PolarHBondContact O-N 3.35Å |
| 35 | A | 72.4 | Confident | 66.6 | Low | 70 Ų | 70 | 112 Ų | 112 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.6 | -27.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E31 V32 D37 | E31-A35 VanDerWaalsContact O-CB 3.28Å; E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.38Å; V32-A35 PolarHBondContact O-N 3.45Å; A35-D37 VanDerWaalsContact C-N 3.3Å |
| 36 | L | 65.7 | Low | 66.4 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 66% | 0.66 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -80.5 | -10.9 | 170.4 | -66.2 | 171.1 | 0 | 0 | 0 | 112.5 | V32 F33 S34 E38 | V32-L36 HydrophobicContact CG1-CD1 3.72Å; V32-L36 HydrophobicContact CG1-CG 4.35Å; V32-L36 WeakPolarHBondContact O-CB 3.35Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 2.94Å; F33-L36 PolarHBondContact O-N 3.38Å; S34-L36 VanDerWaalsContact C-N 3.34Å; L36-E38 PolarHBondContact O-N 3.32Å; L36-E38 VanDerWaalsContact O-N 3.13Å |
| 37 | D | 57.8 | Low | 67 | Low | 43 Ų | 43 | 111.3 Ų | 111.3 | 23% | 0.23 | 58% | 0.579 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | 8 | -174.5 | -137.2 | 19.1 | 0 | 0 | 0 | 113.8 | F33 S34 A35 Q39 R40 R43 | F33-D37 WeakPolarHBondContact O-CB 3.45Å; F33-D37 PolarHBondContact O-N 3.03Å; F33-D37 VanDerWaalsContact O-N 3.08Å; S34-D37 VanDerWaalsContact O-CB 3.24Å; S34-D37 WeakPolarHBondContact O-CB 3.26Å; S34-D37 PolarHBondContact O-N 3.35Å; A35-D37 VanDerWaalsContact C-N 3.3Å; D37-Q39 PolarHBondContact O-N 3.28Å; D37-R40 VanDerWaalsContact CG-NH1 3.33Å; D37-R40 WeakPolarHBondContact OD1-CD 3.43Å; D37-R40 VanDerWaalsContact OD1-CG 3.24Å; D37-R40 WeakPolarHBondContact OD1-CG 3.37Å; D37-R40 IonicContact OD1-CZ 3.12Å; D37-R40 VanDerWaalsContact OD1-CZ 3.29Å; D37-R40 IonicContact OD1-NE 2.76Å; D37-R40 PolarHBondContact OD1-NE 2.97Å; D37-R40 IonicContact OD1-NH1 3.29Å; D37-R40 PolarHBondContact OD1-NH1 3.47Å; D37-R40 IonicContact OD2-NH1 3.84Å; D37-R40 PolarHBondContact OD2-NH1 2.91Å; D37-R40 VanDerWaalsContact OD2-NH1 3.12Å; D37-R43 IonicContact OD2-CZ 3.73Å; D37-R43 IonicContact OD2-NE 3.89Å; D37-R43 IonicContact OD2-NH2 2.75Å; D37-R43 PolarHBondContact OD2-NH2 3.45Å |
| 38 | E | 52.9 | Low | 67.5 | Low | 184 Ų | 184 | 106.7 Ų | 106.7 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -10.7 | 170.4 | -71.4 | -174.4 | 171.7 | 0 | 0 | 112.8 | L36 | L36-E38 PolarHBondContact O-N 3.32Å; L36-E38 VanDerWaalsContact O-N 3.13Å |
| 39 | Q | 52 | Low | 67.7 | Low | 180 Ų | 180 | 106.8 Ų | 106.8 | 84% | 0.841 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -124.9 | 90.4 | 171.8 | -65 | -165.9 | -44.7 | 0 | 0 | 110.3 | D37 | D37-Q39 PolarHBondContact O-N 3.28Š|
| 40 | R | 54.2 | Low | 68.3 | Low | 116 Ų | 116 | 101.8 Ų | 101.8 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | trans | -130.4 | 118.3 | 164.4 | -101.1 | -161.1 | 179.2 | 138 | -15 | 112.3 | F33 D37 A42 R43 | F33-R40 VanDerWaalsContact CE1-NH2 3.27Å; D37-R40 VanDerWaalsContact CG-NH1 3.33Å; D37-R40 WeakPolarHBondContact OD1-CD 3.43Å; D37-R40 VanDerWaalsContact OD1-CG 3.24Å; D37-R40 WeakPolarHBondContact OD1-CG 3.37Å; D37-R40 IonicContact OD1-CZ 3.12Å; D37-R40 VanDerWaalsContact OD1-CZ 3.29Å; D37-R40 IonicContact OD1-NE 2.76Å; D37-R40 PolarHBondContact OD1-NE 2.97Å; D37-R40 IonicContact OD1-NH1 3.29Å; D37-R40 PolarHBondContact OD1-NH1 3.47Å; D37-R40 IonicContact OD2-NH1 3.84Å; D37-R40 PolarHBondContact OD2-NH1 2.91Å; D37-R40 VanDerWaalsContact OD2-NH1 3.12Å; R40-A42 PolarHBondContact O-N 2.96Å; R40-R43 VanDerWaalsContact NH1-NE 3.11Å | ||
| 41 | E | 54.3 | Low | 69.1 | Low | 149 Ų | 149 | 100.9 Ų | 100.9 | 70% | 0.696 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -37.6 | 130.4 | 135.6 | -64.1 | 178 | 164.4 | 0 | 0 | 108.8 | R43 P136 | E41-R43 PolarHBondContact O-N 3.45Å; E41-R43 VanDerWaalsContact O-N 3.16Å; E41-P136 HydrophobicContact CG-CG 4.37Å; E41-P136 VanDerWaalsContact OE1-CG 3.27Å; E41-P136 WeakPolarHBondContact OE1-CG 3.23Å |
| 42 | A | 50.8 | Low | 69.8 | Low | 95 Ų | 95 | 96 Ų | 96 | 79% | 0.785 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -47.4 | 124.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R40 P44 | R40-A42 PolarHBondContact O-N 2.96Å; A42-P44 VanDerWaalsContact O-N 3.15Å |
| 43 | R | 57 | Low | 70.5 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -46.1 | 126.6 | 178 | -71.4 | -179 | -172.4 | 172 | 2.8 | 108.1 | D37 R40 E41 S45 | D37-R43 IonicContact OD2-CZ 3.73Å; D37-R43 IonicContact OD2-NE 3.89Å; D37-R43 IonicContact OD2-NH2 2.75Å; D37-R43 PolarHBondContact OD2-NH2 3.45Å; R40-R43 VanDerWaalsContact NH1-NE 3.11Å; E41-R43 PolarHBondContact O-N 3.45Å; E41-R43 VanDerWaalsContact O-N 3.16Å; R43-S45 PolarHBondContact O-N 3.5Å |
| 44 | P | 59.4 | Low | 72.1 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 79% | 0.792 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 130.7 | 178.4 | -23.9 | 31.1 | 0 | 0 | 0 | 109 | A42 L46 | A42-P44 VanDerWaalsContact O-N 3.15Å; P44-L46 PolarHBondContact O-N 2.91Å |
| 45 | S | 66.9 | Low | 73.6 | Confident | 110 Ų | 110 | 88.9 Ų | 88.9 | 77% | 0.769 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 127.8 | 178.6 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | R43 S47 | R43-S45 PolarHBondContact O-N 3.5Å; S45-S47 PolarHBondContact O-N 3.14Å |
| 46 | L | 78.1 | Confident | 74.7 | Confident | 60 Ų | 60 | 86.2 Ų | 86.2 | 31% | 0.314 | 45% | 0.448 | S | S | . | . | trans | -59.1 | 106.3 | 176.5 | -177.7 | 67.3 | 0 | 0 | 0 | 109 | P44 N50 L51 Q79 | P44-L46 PolarHBondContact O-N 2.91Å; L46-N50 HydrophobicContact CD1-CB 3.74Å; L46-L51 HydrophobicContact CD2-CB 4.15Å; L46-L51 HydrophobicContact CD2-CD1 3.8Å; L46-L51 HydrophobicContact CG-CB 4.26Å; L46-Q79 HydrophobicContact CD2-CB 3.67Å | ||
| 47 | S | 87.5 | Confident | 76.1 | Confident | 42 Ų | 42 | 83 Ų | 83 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | trans | -67.2 | 156.8 | 178.1 | 70.7 | 0 | 0 | 0 | 0 | 110.6 | S45 E49 N50 L51 | S45-S47 PolarHBondContact O-N 3.14Å; S47-E49 VanDerWaalsContact C-N 3.27Å; S47-E49 PolarHBondContact O-N 2.95Å; S47-N50 PolarHBondContact O-N 3.15Å; S47-N50 VanDerWaalsContact O-N 3.15Å; S47-N50 WeakPolarHBondContact OG-CB 3.41Å; S47-N50 VanDerWaalsContact OG-CG 3.25Å; S47-N50 PolarHBondContact OG-N 2.88Å; S47-N50 VanDerWaalsContact OG-N 3.14Å; S47-N50 PolarHBondContact OG-ND2 2.73Å; S47-L51 PolarHBondContact O-N 3.35Å | ||
| 48 | H | 87.6 | Confident | 77.8 | Confident | 94 Ų | 94 | 81.2 Ų | 81.2 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -55.2 | -43.4 | 175 | -176 | 67.9 | 0 | 0 | 0 | 112.1 | N50 L51 L52 E92 | H48-N50 PolarHBondContact O-N 2.86Å; H48-L51 WeakPolarHBondContact O-CB 3.48Å; H48-L51 PolarHBondContact O-N 2.95Å; H48-L52 WeakPolarHBondContact O-CG 3.47Å; H48-L52 PolarHBondContact O-N 2.88Å; H48-E92 IonicContact CD2-OE1 3.99Å; H48-E92 IonicContact CE1-OE1 3.34Å; H48-E92 IonicContact NE2-OE1 2.95Å; H48-E92 PolarHBondContact NE2-OE1 3.41Å |
| 49 | E | 89.7 | Confident | 79.8 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.6 | -64.4 | -178.6 | 139.6 | 0 | 0 | 111.9 | S47 L51 L52 I53 | S47-E49 VanDerWaalsContact C-N 3.27Å; S47-E49 PolarHBondContact O-N 2.95Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 2.71Å; E49-L52 PolarHBondContact O-N 3.43Å; E49-I53 WeakPolarHBondContact O-CD1 3.48Å; E49-I53 VanDerWaalsContact O-CG1 3.24Å; E49-I53 WeakPolarHBondContact O-CG1 3.32Å; E49-I53 PolarHBondContact O-N 3.07Å |
| 50 | N | 90.9 | Very high | 82 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 35% | 0.348 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 178.4 | -74.8 | -9.6 | 0 | 0 | 0 | 111.8 | L46 S47 H48 I53 N54 | L46-N50 HydrophobicContact CD1-CB 3.74Å; S47-N50 PolarHBondContact O-N 3.15Å; S47-N50 VanDerWaalsContact O-N 3.15Å; S47-N50 WeakPolarHBondContact OG-CB 3.41Å; S47-N50 VanDerWaalsContact OG-CG 3.25Å; S47-N50 PolarHBondContact OG-N 2.88Å; S47-N50 VanDerWaalsContact OG-N 3.14Å; S47-N50 PolarHBondContact OG-ND2 2.73Å; H48-N50 PolarHBondContact O-N 2.86Å; N50-I53 PolarHBondContact O-N 2.74Å; N50-N54 VanDerWaalsContact O-CB 3.26Å; N50-N54 WeakPolarHBondContact O-CB 3.38Å; N50-N54 PolarHBondContact O-N 3.4Å; N50-N54 PolarHBondContact O-ND2 3.44Å |
| 51 | L | 91.4 | Very high | 83.9 | Confident | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 174.1 | 178.9 | 64.6 | 0 | 0 | 0 | 110.6 | L46 S47 H48 E49 I53 N54 E55 Q79 L84 | L46-L51 HydrophobicContact CD2-CB 4.15Å; L46-L51 HydrophobicContact CD2-CD1 3.8Å; L46-L51 HydrophobicContact CG-CB 4.26Å; S47-L51 PolarHBondContact O-N 3.35Å; H48-L51 WeakPolarHBondContact O-CB 3.48Å; H48-L51 PolarHBondContact O-N 2.95Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 2.71Å; L51-I53 PolarHBondContact O-N 2.9Å; L51-N54 PolarHBondContact O-N 3.1Å; L51-E55 HydrophobicContact CD1-CG 4.43Å; L51-E55 WeakPolarHBondContact O-CG 3.22Å; L51-E55 PolarHBondContact O-N 3.43Å; L51-Q79 HydrophobicContact CD1-CB 4.01Å; L51-L84 HydrophobicContact CD1-CD1 4.48Å; L51-L84 HydrophobicContact CD2-CD1 4.07Å; L51-L84 HydrophobicContact CG-CD1 4.11Å |
| 52 | L | 92.6 | Very high | 85.8 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.4 | -64.9 | 174 | 0 | 0 | 0 | 112.1 | H48 E49 N54 E55 L56 L89 E92 | H48-L52 WeakPolarHBondContact O-CG 3.47Å; H48-L52 PolarHBondContact O-N 2.88Å; E49-L52 PolarHBondContact O-N 3.43Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.02Å; L52-E55 PolarHBondContact O-N 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.16Å; L52-L89 HydrophobicContact CD2-CD2 3.75Å; L52-E92 HydrophobicContact CD1-CB 4.43Å; L52-E92 HydrophobicContact CD1-CG 3.49Å; L52-E92 VanDerWaalsContact CD1-CG 3.49Å; L52-E92 HydrophobicContact CD2-CB 4.13Å; L52-E92 HydrophobicContact CD2-CG 3.81Å; L52-E92 HydrophobicContact CG-CG 4.26Å |
| 53 | I | 93.8 | Very high | 87.9 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 176.8 | -69 | 164.3 | 0 | 0 | 0 | 110.1 | E49 N50 L51 E55 L56 I57 | E49-I53 WeakPolarHBondContact O-CD1 3.48Å; E49-I53 VanDerWaalsContact O-CG1 3.24Å; E49-I53 WeakPolarHBondContact O-CG1 3.32Å; E49-I53 PolarHBondContact O-N 3.07Å; N50-I53 PolarHBondContact O-N 2.74Å; L51-I53 PolarHBondContact O-N 2.9Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 3.11Å; I53-L56 PolarHBondContact O-N 2.74Å; I53-I57 HydrophobicContact CG2-CD1 3.74Å; I53-I57 HydrophobicContact CG2-CG1 4.45Å; I53-I57 VanDerWaalsContact O-CG1 3.27Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.06Å |
| 54 | N | 94.8 | Very high | 89.7 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -32.7 | -177.9 | -67.5 | -19.8 | 0 | 0 | 0 | 112.7 | N50 L51 L52 I57 R58 S77 Q79 | N50-N54 VanDerWaalsContact O-CB 3.26Å; N50-N54 WeakPolarHBondContact O-CB 3.38Å; N50-N54 PolarHBondContact O-N 3.4Å; N50-N54 PolarHBondContact O-ND2 3.44Å; L51-N54 PolarHBondContact O-N 3.1Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.02Å; N54-I57 PolarHBondContact O-N 3.48Å; N54-R58 VanDerWaalsContact O-CB 3.31Å; N54-R58 WeakPolarHBondContact O-CB 3.26Å; N54-R58 PolarHBondContact O-N 3.19Å; N54-S77 WeakPolarHBondContact ND2-CB 3.32Å; N54-Q79 VanDerWaalsContact CB-OE1 3.24Å |
| 55 | E | 95.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 172.7 | -69.4 | -52.5 | 121.4 | 0 | 0 | 111.9 | L51 L52 I53 I57 R58 E59 Q79 L84 L89 | L51-E55 HydrophobicContact CD1-CG 4.43Å; L51-E55 WeakPolarHBondContact O-CG 3.22Å; L51-E55 PolarHBondContact O-N 3.43Å; L52-E55 PolarHBondContact O-N 3.28Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-E55 PolarHBondContact O-N 3.11Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.07Å; E55-R58 PolarHBondContact O-N 3.24Å; E55-R58 IonicContact OE1-CZ 3.59Å; E55-R58 IonicContact OE1-NE 3.41Å; E55-R58 IonicContact OE1-NH1 3.28Å; E55-R58 PolarHBondContact OE1-NH1 3.23Å; E55-R58 IonicContact OE1-NH2 3.77Å; E55-R58 IonicContact OE2-CZ 2.73Å; E55-R58 IonicContact OE2-NH1 3.6Å; E55-R58 PolarHBondContact OE2-NH1 3.47Å; E55-E59 WeakPolarHBondContact O-CB 3.37Å; E55-E59 PolarHBondContact O-N 3Å; E55-Q79 PolarHBondContact OE1-NE2 3.22Å; E55-L84 HydrophobicContact CG-CB 4Å; E55-L84 HydrophobicContact CG-CD1 3.74Å; E55-L84 HydrophobicContact CG-CG 3.72Å; E55-L84 PolarHBondContact OE2-N 2.9Å; E55-L89 HydrophobicContact CB-CD1 3.94Å; E55-L89 HydrophobicContact CB-CD2 3.8Å; E55-L89 HydrophobicContact CG-CD2 4.24Å |
| 56 | L | 95.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 173.2 | -70.4 | 175.5 | 0 | 0 | 0 | 111.8 | L52 I53 Y60 L93 L106 L110 | L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.16Å; I53-L56 PolarHBondContact O-N 2.74Å; L56-Y60 WeakPolarHBondContact O-CB 3.24Å; L56-Y60 PolarHBondContact O-N 3.15Å; L56-Y60 VanDerWaalsContact O-N 3.11Å; L56-L93 HydrophobicContact CD1-CD1 3.85Å; L56-L93 HydrophobicContact CD1-CD2 4.49Å; L56-L93 HydrophobicContact CD2-CD1 3.76Å; L56-L93 HydrophobicContact CG-CD1 4.14Å; L56-L106 HydrophobicContact CD2-CB 3.67Å; L56-L106 HydrophobicContact CD2-CD1 4.32Å; L56-L110 HydrophobicContact CD1-CD1 4.07Å |
| 57 | I | 95.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 175.4 | -65.9 | 167.6 | 0 | 0 | 0 | 110.1 | I53 N54 E55 E59 Y60 L61 L73 | I53-I57 HydrophobicContact CG2-CD1 3.74Å; I53-I57 HydrophobicContact CG2-CG1 4.45Å; I53-I57 VanDerWaalsContact O-CG1 3.27Å; I53-I57 WeakPolarHBondContact O-CG1 3.3Å; I53-I57 PolarHBondContact O-N 3.06Å; N54-I57 PolarHBondContact O-N 3.48Å; E55-I57 VanDerWaalsContact C-N 3.29Å; E55-I57 PolarHBondContact O-N 3.07Å; I57-E59 PolarHBondContact O-N 2.87Å; I57-Y60 WeakPolarHBondContact O-CB 3.47Å; I57-Y60 PolarHBondContact O-N 3.32Å; I57-L61 HydrophobicContact CG2-CD1 3.83Å; I57-L61 HydrophobicContact CG2-CG 4.08Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.28Å; I57-L73 HydrophobicContact CB-CD2 4.06Å; I57-L73 HydrophobicContact CG2-CD2 3.55Å |
| 58 | R | 94.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.8 | -50.1 | 177.9 | 179 | -173.2 | -68.4 | 171.5 | -22 | 111.2 | N54 E55 Y60 L61 E62 T74 Q79 P80 | N54-R58 VanDerWaalsContact O-CB 3.31Å; N54-R58 WeakPolarHBondContact O-CB 3.26Å; N54-R58 PolarHBondContact O-N 3.19Å; E55-R58 PolarHBondContact O-N 3.24Å; E55-R58 IonicContact OE1-CZ 3.59Å; E55-R58 IonicContact OE1-NE 3.41Å; E55-R58 IonicContact OE1-NH1 3.28Å; E55-R58 PolarHBondContact OE1-NH1 3.23Å; E55-R58 IonicContact OE1-NH2 3.77Å; E55-R58 IonicContact OE2-CZ 2.73Å; E55-R58 IonicContact OE2-NH1 3.6Å; E55-R58 PolarHBondContact OE2-NH1 3.47Å; R58-Y60 VanDerWaalsContact C-N 3.31Å; R58-Y60 PolarHBondContact O-N 3.45Å; R58-L61 PolarHBondContact O-N 3.48Å; R58-L61 VanDerWaalsContact O-N 3.17Å; R58-E62 HydrophobicContact CG-CG 4.44Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.19Å; R58-T74 PolarHBondContact NE-OG1 2.98Å; R58-T74 PolarHBondContact NH2-OG1 2.93Å; R58-Q79 VanDerWaalsContact NH2-CD 3.26Å; R58-Q79 VanDerWaalsContact NH2-NE2 3.16Å; R58-P80 PolarHBondContact NH1-O 3.46Å; R58-P80 VanDerWaalsContact NH1-O 3.07Å; R58-P80 PolarHBondContact NH2-O 3.45Å |
| 59 | E | 95.1 | Very high | 92.6 | Very high | 35 Ų | 35 | 64.9 Ų | 64.9 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -44.3 | 178.2 | -173.1 | -174.3 | -130.3 | 0 | 0 | 111.6 | E55 I57 E62 F63 R86 P105 L106 | E55-E59 WeakPolarHBondContact O-CB 3.37Å; E55-E59 PolarHBondContact O-N 3Å; I57-E59 PolarHBondContact O-N 2.87Å; E59-E62 PolarHBondContact O-N 2.91Å; E59-F63 WeakPolarHBondContact O-CB 3.48Å; E59-F63 PolarHBondContact O-N 3.44Å; E59-R86 IonicContact OE1-CZ 2.66Å; E59-R86 IonicContact OE1-NE 3.77Å; E59-R86 IonicContact OE1-NH1 3.71Å; E59-R86 PolarHBondContact OE1-NH1 2.89Å; E59-R86 IonicContact OE2-NH1 3.96Å; E59-P105 HydrophobicContact CG-CB 4.01Å; E59-P105 HydrophobicContact CG-CG 4.46Å; E59-P105 VanDerWaalsContact OE2-CA 3.24Å; E59-P105 WeakPolarHBondContact OE2-CA 3.41Å; E59-P105 WeakPolarHBondContact OE2-CB 3.47Å; E59-L106 PolarHBondContact OE2-N 3.3Å |
| 60 | Y | 96.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 28% | 0.275 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 174.3 | 167.4 | -104.2 | 0 | 0 | 0 | 112.8 | L56 I57 R58 F63 N64 Y66 L107 Y108 | L56-Y60 WeakPolarHBondContact O-CB 3.24Å; L56-Y60 PolarHBondContact O-N 3.15Å; L56-Y60 VanDerWaalsContact O-N 3.11Å; I57-Y60 WeakPolarHBondContact O-CB 3.47Å; I57-Y60 PolarHBondContact O-N 3.32Å; R58-Y60 VanDerWaalsContact C-N 3.31Å; R58-Y60 PolarHBondContact O-N 3.45Å; Y60-F63 PolarHBondContact O-N 3.38Å; Y60-N64 VanDerWaalsContact CD2-ND2 3.25Å; Y60-N64 WeakPolarHBondContact CD2-ND2 3.42Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.33Å; Y60-N64 PolarHBondContact O-N 3.13Å; Y60-N64 VanDerWaalsContact O-N 3.09Å; Y60-N64 PolarHBondContact O-ND2 3.09Å; Y60-Y66 HydrophobicContact CE1-CD2 4.29Å; Y60-Y66 HydrophobicContact CE1-CE2 4.09Å; Y60-L107 HydrophobicContact CD2-CD2 4.5Å; Y60-L107 HydrophobicContact CG-CD2 4.25Å; Y60-Y108 HydrophobicContact CD2-CD2 4.41Å; Y60-Y108 AromaticContact CD2-CE2 3.55Å; Y60-Y108 HydrophobicContact CD2-CE2 3.55Å; Y60-Y108 AromaticContact CE2-CE2 3.66Å; Y60-Y108 HydrophobicContact CE2-CE2 3.66Å |
| 61 | L | 95.6 | Very high | 92 | Very high | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | -178.7 | -66.8 | 175.8 | 0 | 0 | 0 | 110.8 | I57 R58 N64 K65 Y66 T69 A70 L73 | I57-L61 HydrophobicContact CG2-CD1 3.83Å; I57-L61 HydrophobicContact CG2-CG 4.08Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.28Å; R58-L61 PolarHBondContact O-N 3.48Å; R58-L61 VanDerWaalsContact O-N 3.17Å; L61-N64 CarbonylContact O-C 3.6Å; L61-N64 PolarHBondContact O-N 3.5Å; L61-K65 PolarHBondContact O-N 3.37Å; L61-K65 VanDerWaalsContact O-N 3.11Å; L61-Y66 HydrophobicContact CD2-CD2 3.68Å; L61-Y66 HydrophobicContact CD2-CG 4.25Å; L61-Y66 PolarHBondContact O-N 3.09Å; L61-T69 HydrophobicContact CD1-CG2 3.91Å; L61-T69 HydrophobicContact CD2-CG2 4.1Å; L61-A70 HydrophobicContact CB-CB 3.98Å; L61-A70 HydrophobicContact CD1-CB 4.11Å; L61-L73 HydrophobicContact CD1-CD2 4.07Å |
| 62 | E | 92.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 178.6 | -74.8 | -174.9 | -178.6 | 0 | 0 | 112.5 | R58 E59 N64 K65 | R58-E62 HydrophobicContact CG-CG 4.44Å; R58-E62 WeakPolarHBondContact O-CG 3.4Å; R58-E62 PolarHBondContact O-N 3.19Å; E59-E62 PolarHBondContact O-N 2.91Å; E62-N64 VanDerWaalsContact C-N 3.34Å; E62-N64 PolarHBondContact O-N 3.07Å; E62-K65 PolarHBondContact O-N 2.87Å |
| 63 | F | 94.7 | Very high | 91.5 | Very high | 92 Ų | 92 | 62.4 Ų | 62.4 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.3 | -176.9 | -95.9 | 0 | 0 | 0 | 111.4 | E59 Y60 K65 S103 V104 P105 | E59-F63 WeakPolarHBondContact O-CB 3.48Å; E59-F63 PolarHBondContact O-N 3.44Å; Y60-F63 PolarHBondContact O-N 3.38Å; F63-K65 PolarHBondContact O-N 3.03Å; F63-S103 WeakPolarHBondContact CE2-O 3.46Å; F63-V104 HydrophobicContact CZ-CG1 4.16Å; F63-P105 HydrophobicContact CB-CG 3.41Å; F63-P105 VanDerWaalsContact CB-CG 3.41Å; F63-P105 HydrophobicContact CD1-CG 3.85Å; F63-P105 HydrophobicContact CD2-CG 4.06Å; F63-P105 HydrophobicContact CG-CG 3.51Å |
| 64 | N | 95.6 | Very high | 91 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 8.3 | 179.9 | -69.9 | -81.8 | 0 | 0 | 0 | 114.4 | Y60 L61 E62 Y66 Y108 | Y60-N64 VanDerWaalsContact CD2-ND2 3.25Å; Y60-N64 WeakPolarHBondContact CD2-ND2 3.42Å; Y60-N64 WeakPolarHBondContact CE2-ND2 3.33Å; Y60-N64 PolarHBondContact O-N 3.13Å; Y60-N64 VanDerWaalsContact O-N 3.09Å; Y60-N64 PolarHBondContact O-ND2 3.09Å; L61-N64 CarbonylContact O-C 3.6Å; L61-N64 PolarHBondContact O-N 3.5Å; E62-N64 VanDerWaalsContact C-N 3.34Å; E62-N64 PolarHBondContact O-N 3.07Å; N64-Y66 VanDerWaalsContact C-N 3.28Å; N64-Y66 HydrophobicContact CB-CD2 3.74Å; N64-Y66 HydrophobicContact CB-CE1 4.27Å; N64-Y66 HydrophobicContact CB-CE2 3.45Å; N64-Y66 VanDerWaalsContact CB-CE2 3.45Å; N64-Y66 HydrophobicContact CB-CG 4.3Å; N64-Y66 WeakPolarHBondContact O-CD1 3.42Å; N64-Y66 WeakPolarHBondContact O-CE1 3.31Å; N64-Y66 PolarHBondContact O-N 2.87Å; N64-Y108 PolarHBondContact ND2-OH 3.17Å; N64-Y108 VanDerWaalsContact ND2-OH 3.17Å; N64-Y108 PolarHBondContact OD1-OH 3.25Å |
| 65 | K | 92.4 | Very high | 90.3 | Very high | 144 Ų | 144 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 23.8 | 178 | -46.8 | -56.3 | 175.3 | -158 | 0 | 115 | L61 E62 F63 R67 | L61-K65 PolarHBondContact O-N 3.37Å; L61-K65 VanDerWaalsContact O-N 3.11Å; E62-K65 PolarHBondContact O-N 2.87Å; F63-K65 PolarHBondContact O-N 3.03Å; K65-R67 PolarHBondContact O-N 2.9Å |
| 66 | Y | 93.3 | Very high | 89.7 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | trans | -81.9 | 48.6 | 172.6 | -52.7 | -34 | 0 | 0 | 0 | 112.3 | Y60 L61 N64 H68 T69 A70 | Y60-Y66 HydrophobicContact CE1-CD2 4.29Å; Y60-Y66 HydrophobicContact CE1-CE2 4.09Å; L61-Y66 HydrophobicContact CD2-CD2 3.68Å; L61-Y66 HydrophobicContact CD2-CG 4.25Å; L61-Y66 PolarHBondContact O-N 3.09Å; N64-Y66 VanDerWaalsContact C-N 3.28Å; N64-Y66 HydrophobicContact CB-CD2 3.74Å; N64-Y66 HydrophobicContact CB-CE1 4.27Å; N64-Y66 HydrophobicContact CB-CE2 3.45Å; N64-Y66 VanDerWaalsContact CB-CE2 3.45Å; N64-Y66 HydrophobicContact CB-CG 4.3Å; N64-Y66 WeakPolarHBondContact O-CD1 3.42Å; N64-Y66 WeakPolarHBondContact O-CE1 3.31Å; N64-Y66 PolarHBondContact O-N 2.87Å; Y66-H68 PolarHBondContact O-N 3.48Å; Y66-H68 VanDerWaalsContact O-N 3.15Å; Y66-T69 PolarHBondContact O-N 3.18Å; Y66-T69 VanDerWaalsContact O-N 3.09Å; Y66-A70 PolarHBondContact O-N 3.49Å; Y66-A70 VanDerWaalsContact O-N 3.09Å | ||
| 67 | R | 85.7 | Confident | 89.1 | Confident | 174 Ų | 174 | 68 Ų | 68 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.1 | -35 | -171.6 | -66.8 | -178.5 | 173.5 | 165.5 | -3.7 | 113.7 | K65 A70 S71 | K65-R67 PolarHBondContact O-N 2.9Å; R67-A70 PolarHBondContact O-N 2.96Å; R67-S71 PolarHBondContact O-N 3.29Å; R67-S71 VanDerWaalsContact O-N 3.1Å |
| 68 | H | 81.2 | Confident | 88.2 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 179.6 | -59.8 | -43.5 | 0 | 0 | 0 | 111.9 | Q23 Y66 S71 V72 | Q23-H68 VanDerWaalsContact CG-CE1 3.48Å; Q23-H68 WeakPolarHBondContact CG-CE1 3.49Å; Q23-H68 PolarHBondContact NE2-CE1 3.18Å; Q23-H68 PolarHBondContact NE2-NE2 3.07Å; Y66-H68 PolarHBondContact O-N 3.48Å; Y66-H68 VanDerWaalsContact O-N 3.15Å; H68-S71 PolarHBondContact O-N 2.96Å; H68-V72 WeakPolarHBondContact O-CG2 3.38Å; H68-V72 PolarHBondContact O-N 3.38Å; H68-V72 VanDerWaalsContact O-N 3.15Å |
| 69 | T | 87.9 | Confident | 87.7 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 175.7 | -48.2 | 0 | 0 | 0 | 0 | 111.1 | L61 Y66 S71 V72 L73 | L61-T69 HydrophobicContact CD1-CG2 3.91Å; L61-T69 HydrophobicContact CD2-CG2 4.1Å; Y66-T69 PolarHBondContact O-N 3.18Å; Y66-T69 VanDerWaalsContact O-N 3.09Å; T69-S71 VanDerWaalsContact C-N 3.32Å; T69-S71 PolarHBondContact O-N 3.44Å; T69-V72 PolarHBondContact O-N 2.9Å; T69-L73 WeakPolarHBondContact O-CB 3.21Å; T69-L73 PolarHBondContact O-N 3.17Å |
| 70 | A | 87.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L61 Y66 R67 T74 | L61-A70 HydrophobicContact CB-CB 3.98Å; L61-A70 HydrophobicContact CD1-CB 4.11Å; Y66-A70 PolarHBondContact O-N 3.49Å; Y66-A70 VanDerWaalsContact O-N 3.09Å; R67-A70 PolarHBondContact O-N 2.96Å; A70-T74 WeakPolarHBondContact O-CB 3.27Å; A70-T74 PolarHBondContact O-N 3.03Å; A70-T74 PolarHBondContact O-OG1 3.34Å |
| 71 | S | 81.3 | Confident | 86.4 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 57% | 0.573 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | R67 H68 T69 T74 A75 | R67-S71 PolarHBondContact O-N 3.29Å; R67-S71 VanDerWaalsContact O-N 3.1Å; H68-S71 PolarHBondContact O-N 2.96Å; T69-S71 VanDerWaalsContact C-N 3.32Å; T69-S71 PolarHBondContact O-N 3.44Å; S71-T74 PolarHBondContact O-N 3.06Å; S71-A75 PolarHBondContact O-N 3.34Å; S71-A75 VanDerWaalsContact O-N 3.12Å |
| 72 | V | 85.4 | Confident | 86 | Confident | 43 Ų | 43 | 79.4 Ų | 79.4 | 26% | 0.261 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | A26 H68 T69 T74 A75 E76 | A26-V72 HydrophobicContact CB-CG2 3.86Å; H68-V72 WeakPolarHBondContact O-CG2 3.38Å; H68-V72 PolarHBondContact O-N 3.38Å; H68-V72 VanDerWaalsContact O-N 3.15Å; T69-V72 PolarHBondContact O-N 2.9Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.15Å; V72-A75 PolarHBondContact O-N 3.23Å; V72-E76 HydrophobicContact CG1-CG 4.07Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V72-E76 WeakPolarHBondContact O-CB 3.29Å; V72-E76 WeakPolarHBondContact O-CG 3.48Å; V72-E76 PolarHBondContact O-N 3.29Å |
| 73 | L | 87.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 18% | 0.183 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -55.1 | -47.4 | 177 | 176.2 | 67.5 | 0 | 0 | 0 | 111.6 | I57 L61 T69 A75 E76 S77 | I57-L73 HydrophobicContact CB-CD2 4.06Å; I57-L73 HydrophobicContact CG2-CD2 3.55Å; L61-L73 HydrophobicContact CD1-CD2 4.07Å; T69-L73 WeakPolarHBondContact O-CB 3.21Å; T69-L73 PolarHBondContact O-N 3.17Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.03Å; L73-E76 PolarHBondContact O-N 2.89Å; L73-S77 WeakPolarHBondContact O-CB 3.5Å; L73-S77 PolarHBondContact O-N 3.23Å; L73-S77 PolarHBondContact O-OG 3.41Å |
| 74 | T | 83.4 | Confident | 85.6 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 14% | 0.141 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | -179.7 | -59.4 | 0 | 0 | 0 | 0 | 112 | R58 A70 S71 V72 Q79 E81 | R58-T74 PolarHBondContact NE-OG1 2.98Å; R58-T74 PolarHBondContact NH2-OG1 2.93Å; A70-T74 WeakPolarHBondContact O-CB 3.27Å; A70-T74 PolarHBondContact O-N 3.03Å; A70-T74 PolarHBondContact O-OG1 3.34Å; S71-T74 PolarHBondContact O-N 3.06Å; V72-T74 VanDerWaalsContact C-N 3.31Å; V72-T74 PolarHBondContact O-N 3.15Å; T74-Q79 HydrophobicContact CG2-CG 4.39Å; T74-E81 HydrophobicContact CG2-CG 4.39Å |
| 75 | A | 80.3 | Confident | 85.4 | Confident | 69 Ų | 69 | 78.5 Ų | 78.5 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.9 | -37.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S71 V72 L73 | S71-A75 PolarHBondContact O-N 3.34Å; S71-A75 VanDerWaalsContact O-N 3.12Å; V72-A75 PolarHBondContact O-N 3.23Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.03Å |
| 76 | E | 81 | Confident | 85.3 | Confident | 125 Ų | 125 | 74.1 Ų | 74.1 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -80.2 | -35.3 | -177.4 | -72.9 | -176.8 | -177.4 | 0 | 0 | 113.1 | V72 L73 | V72-E76 HydrophobicContact CG1-CG 4.07Å; V72-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V72-E76 WeakPolarHBondContact O-CB 3.29Å; V72-E76 WeakPolarHBondContact O-CG 3.48Å; V72-E76 PolarHBondContact O-N 3.29Å; L73-E76 PolarHBondContact O-N 2.89Å |
| 77 | S | 82.7 | Confident | 85.1 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -80.4 | -18.1 | -175.7 | 68.5 | 0 | 0 | 0 | 0 | 114 | N54 L73 Q79 | N54-S77 WeakPolarHBondContact ND2-CB 3.32Å; L73-S77 WeakPolarHBondContact O-CB 3.5Å; L73-S77 PolarHBondContact O-N 3.23Å; L73-S77 PolarHBondContact O-OG 3.41Å; S77-Q79 PolarHBondContact O-N 3.45Å; S77-Q79 WeakPolarHBondContact OG-CB 3.36Å; S77-Q79 VanDerWaalsContact OG-CD 3.32Å; S77-Q79 VanDerWaalsContact OG-CG 3.32Å; S77-Q79 WeakPolarHBondContact OG-CG 3.46Å; S77-Q79 PolarHBondContact OG-N 2.81Å; S77-Q79 PolarHBondContact OG-OE1 3.36Å |
| 78 | G | 78.1 | Confident | 85.3 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | trans | 67.1 | 16.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 79 | Q | 83.8 | Confident | 85.8 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | trans | -77.1 | 156.3 | 176.3 | 87.2 | -160.8 | 73.6 | 0 | 0 | 110.8 | L46 L51 N54 E55 R58 T74 S77 | L46-Q79 HydrophobicContact CD2-CB 3.67Å; L51-Q79 HydrophobicContact CD1-CB 4.01Å; N54-Q79 VanDerWaalsContact CB-OE1 3.24Å; E55-Q79 PolarHBondContact OE1-NE2 3.22Å; R58-Q79 VanDerWaalsContact NH2-CD 3.26Å; R58-Q79 VanDerWaalsContact NH2-NE2 3.16Å; T74-Q79 HydrophobicContact CG2-CG 4.39Å; S77-Q79 PolarHBondContact O-N 3.45Å; S77-Q79 WeakPolarHBondContact OG-CB 3.36Å; S77-Q79 VanDerWaalsContact OG-CD 3.32Å; S77-Q79 VanDerWaalsContact OG-CG 3.32Å; S77-Q79 WeakPolarHBondContact OG-CG 3.46Å; S77-Q79 PolarHBondContact OG-N 2.81Å; S77-Q79 PolarHBondContact OG-OE1 3.36Å | ||
| 80 | P | 84.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | trans | -56.7 | 142.6 | -178.6 | -24.1 | 33.9 | 0 | 0 | 0 | 112.9 | R58 T82 | R58-P80 PolarHBondContact NH1-O 3.46Å; R58-P80 VanDerWaalsContact NH1-O 3.07Å; R58-P80 PolarHBondContact NH2-O 3.45Å; P80-T82 VanDerWaalsContact C-N 3.26Å; P80-T82 PolarHBondContact O-N 3.24Å | ||
| 81 | E | 80.9 | Confident | 86 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 84% | 0.841 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -65.4 | -31.8 | 176.3 | -68.6 | -165.9 | 151.8 | 0 | 0 | 112.6 | T74 P83 | T74-E81 HydrophobicContact CG2-CG 4.39Å; E81-P83 WeakPolarHBondContact O-CD 3.38Å |
| 82 | T | 86.3 | Confident | 86.5 | Confident | 111 Ų | 111 | 66 Ų | 66 | 68% | 0.681 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -77.3 | 124.7 | 173.6 | -51.4 | 0 | 0 | 0 | 0 | 109.3 | P80 | P80-T82 VanDerWaalsContact C-N 3.26Å; P80-T82 PolarHBondContact O-N 3.24Å |
| 83 | P | 88.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 146.2 | 174.6 | -23.6 | 34.1 | 0 | 0 | 0 | 112.1 | E81 | E81-P83 WeakPolarHBondContact O-CD 3.38Š|
| 84 | L | 90.8 | Very high | 86.6 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 152 | 171.5 | -67.4 | -171 | 0 | 0 | 0 | 111.1 | L51 E55 R86 F88 L89 | L51-L84 HydrophobicContact CD1-CD1 4.48Å; L51-L84 HydrophobicContact CD2-CD1 4.07Å; L51-L84 HydrophobicContact CG-CD1 4.11Å; E55-L84 HydrophobicContact CG-CB 4Å; E55-L84 HydrophobicContact CG-CD1 3.74Å; E55-L84 HydrophobicContact CG-CG 3.72Å; E55-L84 PolarHBondContact OE2-N 2.9Å; L84-R86 PolarHBondContact O-N 2.95Å; L84-F88 HydrophobicContact CD1-CD1 4.11Å; L84-F88 HydrophobicContact CD1-CE1 3.91Å; L84-L89 HydrophobicContact CB-CD2 4.26Å; L84-L89 HydrophobicContact CB-CG 4.29Å; L84-L89 HydrophobicContact CD1-CD2 4.18Å |
| 85 | D | 91.1 | Very high | 86.7 | Confident | 92 Ų | 92 | 77.2 Ų | 77.2 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 135.7 | 175.4 | -179.7 | 73.6 | 0 | 0 | 0 | 110.8 | Q87 F88 L89 | D85-Q87 PolarHBondContact O-N 3.43Å; D85-Q87 PolarHBondContact OD1-OE1 3.09Å; D85-Q87 WeakPolarHBondContact OD2-CA 3.25Å; D85-Q87 VanDerWaalsContact OD2-CB 3.29Å; D85-Q87 WeakPolarHBondContact OD2-CB 3.49Å; D85-Q87 PolarHBondContact OD2-N 3.23Å; D85-Q87 PolarHBondContact OD2-OE1 3.19Å; D85-F88 HydrophobicContact CB-CB 4.08Å; D85-F88 WeakPolarHBondContact O-CB 3.24Å; D85-F88 PolarHBondContact O-N 3.23Å; D85-F88 PolarHBondContact OD2-N 3.06Å; D85-F88 VanDerWaalsContact OD2-N 3.09Å; D85-L89 PolarHBondContact O-N 3.34Å |
| 86 | R | 89.4 | Confident | 86.7 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.9 | -37.7 | -174.6 | -176.8 | 172.5 | 173 | 132.4 | -4.5 | 111.9 | E59 L84 F88 L89 A90 E97 S101 V104 L106 | E59-R86 IonicContact OE1-CZ 2.66Å; E59-R86 IonicContact OE1-NE 3.77Å; E59-R86 IonicContact OE1-NH1 3.71Å; E59-R86 PolarHBondContact OE1-NH1 2.89Å; E59-R86 IonicContact OE2-NH1 3.96Å; L84-R86 PolarHBondContact O-N 2.95Å; R86-F88 VanDerWaalsContact C-N 3.25Å; R86-F88 PolarHBondContact O-N 3.49Å; R86-L89 PolarHBondContact O-N 3.21Å; R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 2.66Å; R86-E97 IonicContact CZ-OE1 2.67Å; R86-E97 IonicContact NE-OE1 3.82Å; R86-E97 PolarHBondContact NE-OE1 3.46Å; R86-E97 IonicContact NE-OE2 3.16Å; R86-E97 IonicContact NH2-OE1 2.78Å; R86-E97 PolarHBondContact NH2-OE1 3Å; R86-S101 PolarHBondContact NH2-O 3.08Å; R86-V104 VanDerWaalsContact CZ-O 3.26Å; R86-V104 PolarHBondContact NH1-O 2.93Å; R86-V104 PolarHBondContact NH2-O 2.94Å; R86-L106 HydrophobicContact CG-CD1 4.13Å; R86-L106 HydrophobicContact CG-CG 4.48Å |
| 87 | Q | 89.1 | Confident | 86.6 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.5 | -36.1 | 176.1 | -68.6 | 83.6 | -17.3 | 0 | 0 | 110.7 | D85 A91 | D85-Q87 PolarHBondContact O-N 3.43Å; D85-Q87 PolarHBondContact OD1-OE1 3.09Å; D85-Q87 WeakPolarHBondContact OD2-CA 3.25Å; D85-Q87 VanDerWaalsContact OD2-CB 3.29Å; D85-Q87 WeakPolarHBondContact OD2-CB 3.49Å; D85-Q87 PolarHBondContact OD2-N 3.23Å; D85-Q87 PolarHBondContact OD2-OE1 3.19Å; Q87-A91 VanDerWaalsContact O-CB 3.32Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.43Å |
| 88 | F | 90.9 | Very high | 86.3 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60 | -49.3 | 171 | 175.2 | -94.5 | 0 | 0 | 0 | 112 | L84 D85 R86 A90 A91 E92 | L84-F88 HydrophobicContact CD1-CD1 4.11Å; L84-F88 HydrophobicContact CD1-CE1 3.91Å; D85-F88 HydrophobicContact CB-CB 4.08Å; D85-F88 WeakPolarHBondContact O-CB 3.24Å; D85-F88 PolarHBondContact O-N 3.23Å; D85-F88 PolarHBondContact OD2-N 3.06Å; D85-F88 VanDerWaalsContact OD2-N 3.09Å; R86-F88 VanDerWaalsContact C-N 3.25Å; R86-F88 PolarHBondContact O-N 3.49Å; F88-A90 PolarHBondContact O-N 2.98Å; F88-A91 PolarHBondContact O-N 3.5Å; F88-E92 WeakPolarHBondContact O-CB 3.25Å; F88-E92 PolarHBondContact O-N 2.92Å |
| 89 | L | 91.5 | Very high | 86 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.6 | -67.1 | 173.9 | 0 | 0 | 0 | 112.3 | L52 E55 L84 D85 R86 A91 E92 L93 L106 | L52-L89 HydrophobicContact CD2-CD2 3.75Å; E55-L89 HydrophobicContact CB-CD1 3.94Å; E55-L89 HydrophobicContact CB-CD2 3.8Å; E55-L89 HydrophobicContact CG-CD2 4.24Å; L84-L89 HydrophobicContact CB-CD2 4.26Å; L84-L89 HydrophobicContact CB-CG 4.29Å; L84-L89 HydrophobicContact CD1-CD2 4.18Å; D85-L89 PolarHBondContact O-N 3.34Å; R86-L89 PolarHBondContact O-N 3.21Å; L89-A91 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 3.46Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 WeakPolarHBondContact O-CD1 3.44Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.46Å; L89-L93 PolarHBondContact O-N 3.18Å; L89-L106 HydrophobicContact CB-CD1 3.69Å |
| 90 | A | 90 | Very high | 85.4 | Confident | 7 Ų | 7 | 83.6 Ų | 83.6 | 6% | 0.058 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R86 F88 R94 V95 E97 L106 | R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 2.66Å; F88-A90 PolarHBondContact O-N 2.98Å; A90-R94 PolarHBondContact O-N 3.11Å; A90-V95 PolarHBondContact O-N 2.98Å; A90-E97 HydrophobicContact CB-CG 4.3Å; A90-L106 HydrophobicContact CB-CD1 4.41Å; A90-L106 HydrophobicContact CB-CD2 4.27Å |
| 91 | A | 89.7 | Confident | 84.9 | Confident | 70 Ų | 70 | 81.4 Ų | 81.4 | 58% | 0.579 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q87 F88 L89 L93 R94 | Q87-A91 VanDerWaalsContact O-CB 3.32Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 3.43Å; F88-A91 PolarHBondContact O-N 3.5Å; L89-A91 PolarHBondContact O-N 3.48Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.29Å; A91-R94 PolarHBondContact O-N 3.41Å; A91-R94 VanDerWaalsContact O-N 3.08Å |
| 92 | E | 90.4 | Very high | 84.9 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | -179.1 | -164.5 | 61.4 | -160.4 | 0 | 0 | 111.9 | H48 L52 F88 L89 R94 | H48-E92 IonicContact CD2-OE1 3.99Å; H48-E92 IonicContact CE1-OE1 3.34Å; H48-E92 IonicContact NE2-OE1 2.95Å; H48-E92 PolarHBondContact NE2-OE1 3.41Å; L52-E92 HydrophobicContact CD1-CB 4.43Å; L52-E92 HydrophobicContact CD1-CG 3.49Å; L52-E92 VanDerWaalsContact CD1-CG 3.49Å; L52-E92 HydrophobicContact CD2-CB 4.13Å; L52-E92 HydrophobicContact CD2-CG 3.81Å; L52-E92 HydrophobicContact CG-CG 4.26Å; F88-E92 WeakPolarHBondContact O-CB 3.25Å; F88-E92 PolarHBondContact O-N 2.92Å; L89-E92 PolarHBondContact O-N 3.46Å; E92-R94 PolarHBondContact O-N 3.08Å |
| 93 | L | 88.6 | Confident | 84.7 | Confident | 55 Ų | 55 | 77.7 Ų | 77.7 | 29% | 0.288 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.9 | 176 | -63.4 | 167.5 | 0 | 0 | 0 | 113.3 | L56 L89 A91 V95 L110 | L56-L93 HydrophobicContact CD1-CD1 3.85Å; L56-L93 HydrophobicContact CD1-CD2 4.49Å; L56-L93 HydrophobicContact CD2-CD1 3.76Å; L56-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 WeakPolarHBondContact O-CD1 3.44Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.46Å; L89-L93 PolarHBondContact O-N 3.18Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 3.29Å; L93-V95 HydrophobicContact CB-CG2 3.89Å; L93-V95 PolarHBondContact O-N 3.04Å; L93-L110 HydrophobicContact CD1-CD1 4.41Å |
| 94 | R | 86.8 | Confident | 84.8 | Confident | 236 Ų | 236 | 76.4 Ų | 76.4 | 89% | 0.891 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 39.7 | -176.2 | -55.5 | 179.7 | 178.2 | 177.1 | -0.6 | 112.8 | A90 A91 E92 | A90-R94 PolarHBondContact O-N 3.11Å; A91-R94 PolarHBondContact O-N 3.41Å; A91-R94 VanDerWaalsContact O-N 3.08Å; E92-R94 PolarHBondContact O-N 3.08Å |
| 95 | V | 85.6 | Confident | 84.9 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 28% | 0.279 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 132.8 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | A90 L93 L110 | A90-V95 PolarHBondContact O-N 2.98Å; L93-V95 HydrophobicContact CB-CG2 3.89Å; L93-V95 PolarHBondContact O-N 3.04Å; V95-L110 HydrophobicContact CG2-CD2 3.68Å |
| 96 | S | 81.3 | Confident | 85 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -95.3 | 122.8 | 170.4 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 97 | E | 79.4 | Confident | 85.1 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 128.9 | 177 | -60.7 | -176.3 | 96 | 0 | 0 | 111.4 | R86 A90 S101 K102 L106 | R86-E97 IonicContact CZ-OE1 2.67Å; R86-E97 IonicContact NE-OE1 3.82Å; R86-E97 PolarHBondContact NE-OE1 3.46Å; R86-E97 IonicContact NE-OE2 3.16Å; R86-E97 IonicContact NH2-OE1 2.78Å; R86-E97 PolarHBondContact NH2-OE1 3Å; A90-E97 HydrophobicContact CB-CG 4.3Å; E97-S101 VanDerWaalsContact CA-OG 3.3Å; E97-S101 WeakPolarHBondContact CA-OG 3.09Å; E97-K102 HydrophobicContact CB-CG 4.27Å; E97-L106 HydrophobicContact CG-CD2 3.88Å; E97-L106 WeakPolarHBondContact OE1-CD2 3.34Å |
| 98 | D | 76.6 | Confident | 85.2 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | trans | -90.2 | -179.8 | 165.3 | 74.9 | -20.1 | 0 | 0 | 0 | 111.7 | S100 S101 K102 | D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 PolarHBondContact O-N 3.38Å; D98-S100 PolarHBondContact OD1-N 2.74Å; D98-S100 PolarHBondContact OD1-OG 3.11Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; D98-S101 PolarHBondContact N-OG 3.34Å; D98-S101 PolarHBondContact O-N 2.88Å; D98-S101 PolarHBondContact O-OG 3.19Å; D98-S101 VanDerWaalsContact OD1-CB 3.23Å; D98-S101 WeakPolarHBondContact OD1-CB 3.47Å; D98-S101 PolarHBondContact OD1-N 2.79Å; D98-S101 PolarHBondContact OD1-OG 3.19Å; D98-K102 PolarHBondContact O-N 3.14Å | ||
| 99 | A | 71 | Confident | 85.1 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 100 | S | 71.5 | Confident | 85 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -41.3 | -178.9 | 76 | 0 | 0 | 0 | 0 | 112.2 | D98 K102 S103 | D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 PolarHBondContact O-N 3.38Å; D98-S100 PolarHBondContact OD1-N 2.74Å; D98-S100 PolarHBondContact OD1-OG 3.11Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; S100-K102 VanDerWaalsContact C-N 3.34Å; S100-K102 PolarHBondContact O-N 2.67Å; S100-S103 WeakPolarHBondContact O-CB 3.36Å; S100-S103 PolarHBondContact O-N 2.78Å; S100-S103 PolarHBondContact O-OG 3.09Å |
| 101 | S | 73.9 | Confident | 85 | Confident | 24 Ų | 24 | 70 Ų | 70 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -69.1 | -26.3 | -180 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | R86 E97 D98 S103 V104 | R86-S101 PolarHBondContact NH2-O 3.08Å; E97-S101 VanDerWaalsContact CA-OG 3.3Å; E97-S101 WeakPolarHBondContact CA-OG 3.09Å; D98-S101 PolarHBondContact N-OG 3.34Å; D98-S101 PolarHBondContact O-N 2.88Å; D98-S101 PolarHBondContact O-OG 3.19Å; D98-S101 VanDerWaalsContact OD1-CB 3.23Å; D98-S101 WeakPolarHBondContact OD1-CB 3.47Å; D98-S101 PolarHBondContact OD1-N 2.79Å; D98-S101 PolarHBondContact OD1-OG 3.19Å; S101-S103 PolarHBondContact O-N 2.71Å; S101-S103 VanDerWaalsContact O-N 3.17Å; S101-V104 PolarHBondContact O-N 2.89Å |
| 102 | K | 80.1 | Confident | 84.8 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 57% | 0.574 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -63.7 | -16.8 | 172.9 | -72.4 | 179.2 | -178.1 | -178.3 | 0 | 114.2 | E97 D98 S100 | E97-K102 HydrophobicContact CB-CG 4.27Å; D98-K102 PolarHBondContact O-N 3.14Å; S100-K102 VanDerWaalsContact C-N 3.34Å; S100-K102 PolarHBondContact O-N 2.67Å |
| 103 | S | 82.5 | Confident | 84.5 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 57% | 0.566 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -85.5 | -9.5 | -178 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | F63 S100 S101 | F63-S103 WeakPolarHBondContact CE2-O 3.46Å; S100-S103 WeakPolarHBondContact O-CB 3.36Å; S100-S103 PolarHBondContact O-N 2.78Å; S100-S103 PolarHBondContact O-OG 3.09Å; S101-S103 PolarHBondContact O-N 2.71Å; S101-S103 VanDerWaalsContact O-N 3.17Å |
| 104 | V | 90.7 | Very high | 84.3 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -133.6 | 161.9 | -176.7 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | F63 R86 S101 Y108 | F63-V104 HydrophobicContact CZ-CG1 4.16Å; R86-V104 VanDerWaalsContact CZ-O 3.26Å; R86-V104 PolarHBondContact NH1-O 2.93Å; R86-V104 PolarHBondContact NH2-O 2.94Å; S101-V104 PolarHBondContact O-N 2.89Å; V104-Y108 HydrophobicContact CB-CD1 4.28Å; V104-Y108 HydrophobicContact CB-CG 4.4Å; V104-Y108 HydrophobicContact CG1-CD1 4.5Å |
| 105 | P | 93.3 | Very high | 84.1 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | trans | -57.3 | 146.7 | 174.7 | -26.8 | 37.5 | 0 | 0 | 0 | 112.6 | E59 F63 L107 Y108 | E59-P105 HydrophobicContact CG-CB 4.01Å; E59-P105 HydrophobicContact CG-CG 4.46Å; E59-P105 VanDerWaalsContact OE2-CA 3.24Å; E59-P105 WeakPolarHBondContact OE2-CA 3.41Å; E59-P105 WeakPolarHBondContact OE2-CB 3.47Å; F63-P105 HydrophobicContact CB-CG 3.41Å; F63-P105 VanDerWaalsContact CB-CG 3.41Å; F63-P105 HydrophobicContact CD1-CG 3.85Å; F63-P105 HydrophobicContact CD2-CG 4.06Å; F63-P105 HydrophobicContact CG-CG 3.51Å; P105-L107 PolarHBondContact O-N 3.24Å; P105-L107 VanDerWaalsContact O-N 3.14Å; P105-Y108 HydrophobicContact CB-CD2 4.17Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.37Å; P105-Y108 WeakPolarHBondContact O-CB 3.45Å; P105-Y108 PolarHBondContact O-N 3.35Å | ||
| 106 | L | 91.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.037 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -53.7 | -34.8 | 175.3 | -80.1 | 171.3 | 0 | 0 | 0 | 111.6 | L56 E59 R86 L89 A90 E97 Y108 G109 L110 | L56-L106 HydrophobicContact CD2-CB 3.67Å; L56-L106 HydrophobicContact CD2-CD1 4.32Å; E59-L106 PolarHBondContact OE2-N 3.3Å; R86-L106 HydrophobicContact CG-CD1 4.13Å; R86-L106 HydrophobicContact CG-CG 4.48Å; L89-L106 HydrophobicContact CB-CD1 3.69Å; A90-L106 HydrophobicContact CB-CD1 4.41Å; A90-L106 HydrophobicContact CB-CD2 4.27Å; E97-L106 HydrophobicContact CG-CD2 3.88Å; E97-L106 WeakPolarHBondContact OE1-CD2 3.34Å; L106-Y108 PolarHBondContact O-N 3.11Å; L106-G109 PolarHBondContact O-N 3.09Å; L106-G109 VanDerWaalsContact O-N 3.11Å; L106-L110 WeakPolarHBondContact O-CG 3.07Å; L106-L110 PolarHBondContact O-N 2.96Å |
| 107 | L | 93 | Very high | 83.3 | Confident | 53 Ų | 53 | 69 Ų | 69 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.6 | -33.9 | 176.4 | -169.4 | 62.4 | 0 | 0 | 0 | 112.8 | Y60 P105 V111 | Y60-L107 HydrophobicContact CD2-CD2 4.5Å; Y60-L107 HydrophobicContact CG-CD2 4.25Å; P105-L107 PolarHBondContact O-N 3.24Å; P105-L107 VanDerWaalsContact O-N 3.14Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 2.87Å |
| 108 | Y | 91.3 | Very high | 82.3 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.2 | -46.4 | 177.1 | -78.9 | -139.4 | 0 | 0 | 0 | 109.9 | Y60 N64 V104 P105 L106 L110 V111 S112 | Y60-Y108 HydrophobicContact CD2-CD2 4.41Å; Y60-Y108 AromaticContact CD2-CE2 3.55Å; Y60-Y108 HydrophobicContact CD2-CE2 3.55Å; Y60-Y108 AromaticContact CE2-CE2 3.66Å; Y60-Y108 HydrophobicContact CE2-CE2 3.66Å; N64-Y108 PolarHBondContact ND2-OH 3.17Å; N64-Y108 VanDerWaalsContact ND2-OH 3.17Å; N64-Y108 PolarHBondContact OD1-OH 3.25Å; V104-Y108 HydrophobicContact CB-CD1 4.28Å; V104-Y108 HydrophobicContact CB-CG 4.4Å; V104-Y108 HydrophobicContact CG1-CD1 4.5Å; P105-Y108 HydrophobicContact CB-CD2 4.17Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.37Å; P105-Y108 WeakPolarHBondContact O-CB 3.45Å; P105-Y108 PolarHBondContact O-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.11Å; Y108-L110 VanDerWaalsContact C-N 3.34Å; Y108-L110 PolarHBondContact O-N 3.29Å; Y108-V111 PolarHBondContact O-N 3.17Å; Y108-S112 WeakPolarHBondContact O-CB 3.31Å; Y108-S112 PolarHBondContact O-N 2.91Å; Y108-S112 PolarHBondContact O-OG 3.3Å; Y108-S112 VanDerWaalsContact O-OG 3.13Å |
| 109 | G | 89.1 | Confident | 81.3 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L106 S112 H113 | L106-G109 PolarHBondContact O-N 3.09Å; L106-G109 VanDerWaalsContact O-N 3.11Å; G109-S112 PolarHBondContact O-N 3.49Å; G109-H113 WeakPolarHBondContact O-CB 3.06Å; G109-H113 PolarHBondContact O-N 2.86Å |
| 110 | L | 88.8 | Confident | 80.5 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 19% | 0.194 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59 | -51.6 | 175.1 | -71 | 173.5 | 0 | 0 | 0 | 111.5 | L56 L93 V95 L106 Y108 S112 H113 F114 | L56-L110 HydrophobicContact CD1-CD1 4.07Å; L93-L110 HydrophobicContact CD1-CD1 4.41Å; V95-L110 HydrophobicContact CG2-CD2 3.68Å; L106-L110 WeakPolarHBondContact O-CG 3.07Å; L106-L110 PolarHBondContact O-N 2.96Å; Y108-L110 VanDerWaalsContact C-N 3.34Å; Y108-L110 PolarHBondContact O-N 3.29Å; L110-S112 PolarHBondContact O-N 3.07Å; L110-H113 WeakPolarHBondContact O-CB 3.3Å; L110-H113 PolarHBondContact O-N 3.44Å; L110-F114 WeakPolarHBondContact O-CD2 3.48Å; L110-F114 PolarHBondContact O-N 3.13Å; L110-F114 VanDerWaalsContact O-N 3.09Å |
| 111 | V | 89.5 | Confident | 79.8 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L107 Y108 H113 F114 L115 | L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 2.87Å; Y108-V111 PolarHBondContact O-N 3.17Å; V111-H113 VanDerWaalsContact C-N 3.29Å; V111-H113 PolarHBondContact O-N 2.58Å; V111-F114 PolarHBondContact O-N 3.25Å; V111-L115 HydrophobicContact CG1-CD1 3.63Å; V111-L115 HydrophobicContact CG1-CG 4.11Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 VanDerWaalsContact O-CG 3.32Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.41Å |
| 112 | S | 86.5 | Confident | 79.1 | Confident | 58 Ų | 58 | 86.8 Ų | 86.8 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Y108 G109 L110 L115 N116 | Y108-S112 WeakPolarHBondContact O-CB 3.31Å; Y108-S112 PolarHBondContact O-N 2.91Å; Y108-S112 PolarHBondContact O-OG 3.3Å; Y108-S112 VanDerWaalsContact O-OG 3.13Å; G109-S112 PolarHBondContact O-N 3.49Å; L110-S112 PolarHBondContact O-N 3.07Å; S112-L115 PolarHBondContact O-N 3.46Å; S112-N116 VanDerWaalsContact O-CB 3.28Å; S112-N116 WeakPolarHBondContact O-CB 3.35Å; S112-N116 VanDerWaalsContact O-CG 3.27Å; S112-N116 PolarHBondContact O-N 3.17Å; S112-N116 PolarHBondContact O-ND2 3.03Å; S112-N116 VanDerWaalsContact O-ND2 3.09Å |
| 113 | H | 84.2 | Confident | 78.4 | Confident | 112 Ų | 112 | 90.1 Ų | 90.1 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 175.1 | 173.6 | -90.5 | 0 | 0 | 0 | 111.5 | G109 L110 V111 S117 | G109-H113 WeakPolarHBondContact O-CB 3.06Å; G109-H113 PolarHBondContact O-N 2.86Å; L110-H113 WeakPolarHBondContact O-CB 3.3Å; L110-H113 PolarHBondContact O-N 3.44Å; V111-H113 VanDerWaalsContact C-N 3.29Å; V111-H113 PolarHBondContact O-N 2.58Å; H113-S117 WeakPolarHBondContact O-CB 3.28Å; H113-S117 PolarHBondContact O-N 3.42Å; H113-S117 PolarHBondContact O-OG 2.82Å |
| 114 | F | 83.6 | Confident | 77.7 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.9 | -33.4 | -179.9 | -71.9 | -70.6 | 0 | 0 | 0 | 113.8 | L110 V111 | L110-F114 WeakPolarHBondContact O-CD2 3.48Å; L110-F114 PolarHBondContact O-N 3.13Å; L110-F114 VanDerWaalsContact O-N 3.09Å; V111-F114 PolarHBondContact O-N 3.25Å |
| 115 | L | 83.4 | Confident | 76.5 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.6 | -38.3 | 176.7 | -70.5 | 176 | 0 | 0 | 0 | 112.4 | V111 S112 | V111-L115 HydrophobicContact CG1-CD1 3.63Å; V111-L115 HydrophobicContact CG1-CG 4.11Å; V111-L115 WeakPolarHBondContact O-CB 3.32Å; V111-L115 VanDerWaalsContact O-CG 3.32Å; V111-L115 WeakPolarHBondContact O-CG 3.47Å; V111-L115 PolarHBondContact O-N 3.41Å; S112-L115 PolarHBondContact O-N 3.46Å |
| 116 | N | 79.6 | Confident | 75.3 | Confident | 124 Ų | 124 | 104.4 Ų | 104.4 | 66% | 0.663 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -91.5 | -15.9 | -177.3 | -62 | -33.6 | 0 | 0 | 0 | 113.4 | S112 S118 | S112-N116 VanDerWaalsContact O-CB 3.28Å; S112-N116 WeakPolarHBondContact O-CB 3.35Å; S112-N116 VanDerWaalsContact O-CG 3.27Å; S112-N116 PolarHBondContact O-N 3.17Å; S112-N116 PolarHBondContact O-ND2 3.03Å; S112-N116 VanDerWaalsContact O-ND2 3.09Å; N116-S118 PolarHBondContact O-N 3.23Å; N116-S118 VanDerWaalsContact O-N 3.11Å |
| 117 | S | 69.4 | Low | 73.9 | Confident | 55 Ų | 55 | 115.6 Ų | 115.6 | 39% | 0.385 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -75.1 | 12.7 | 175.8 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | H113 D119 | H113-S117 WeakPolarHBondContact O-CB 3.28Å; H113-S117 PolarHBondContact O-N 3.42Å; H113-S117 PolarHBondContact O-OG 2.82Å; S117-D119 PolarHBondContact O-N 3.33Å |
| 118 | S | 57.6 | Low | 72 | Confident | 103 Ų | 103 | 116.5 Ų | 116.5 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -62.9 | -2.7 | 178.8 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | N116 | N116-S118 PolarHBondContact O-N 3.23Å; N116-S118 VanDerWaalsContact O-N 3.11Å |
| 119 | D | 56.9 | Low | 70.2 | Confident | 145 Ų | 145 | 115.3 Ų | 115.3 | 78% | 0.775 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -114.1 | 11.6 | -162.5 | -134.6 | 17.7 | 0 | 0 | 0 | 117 | S117 | S117-D119 PolarHBondContact O-N 3.33Š|
| 120 | N | 54.1 | Low | 68.1 | Low | 153 Ų | 153 | 118.5 Ų | 118.5 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.9 | -1.3 | 168.5 | -137.1 | 2.9 | 0 | 0 | 0 | 119.9 | ||
| 121 | R | 56.3 | Low | 66.1 | Low | 227 Ų | 227 | 121.1 Ų | 121.1 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -145.6 | 125.3 | 175.6 | -61.5 | -177.6 | -164.1 | 151.3 | 6.6 | 107.8 | ||
| 122 | G | 58.6 | Low | 64 | Low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | trans | -48.8 | 158.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V124 | G122-V124 PolarHBondContact O-N 2.66Š| ||
| 123 | K | 65.5 | Low | 62.1 | Low | 202 Ų | 202 | 126.8 Ų | 126.8 | 88% | 0.878 | 70% | 0.703 | S | S | * | * | trans | -30.8 | 117.9 | -177.9 | -63.3 | 178.5 | -179.6 | 179.1 | 0 | 112.1 | L125 | K123-L125 PolarHBondContact O-N 2.89Š| ||
| 124 | V | 67.8 | Low | 60.1 | Low | 102 Ų | 102 | 126.7 Ų | 126.7 | 62% | 0.618 | 72% | 0.715 | S | S | * | * | trans | -62.4 | 119.1 | 174.7 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | G122 L126 | G122-V124 PolarHBondContact O-N 2.66Å; V124-L126 PolarHBondContact O-N 3.37Å | ||
| 125 | L | 66.7 | Low | 57.9 | Low | 162 Ų | 162 | 125.1 Ų | 125.1 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -72.9 | 107.4 | 174 | -68.6 | 171.9 | 0 | 0 | 0 | 108.6 | K123 R127 | K123-L125 PolarHBondContact O-N 2.89Å; L125-R127 PolarHBondContact O-N 3.47Å; L125-R127 VanDerWaalsContact O-N 3.08Å | ||
| 126 | L | 67.9 | Low | 56 | Low | 161 Ų | 161 | 123.2 Ų | 123.2 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -69.1 | 102.5 | 169.8 | -64.2 | 178.7 | 0 | 0 | 0 | 108.4 | V124 G128 | V124-L126 PolarHBondContact O-N 3.37Å; L126-G128 PolarHBondContact O-N 2.67Å | ||
| 127 | R | 62.8 | Low | 54.3 | Low | 241 Ų | 241 | 120.6 Ų | 120.6 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -79.6 | 108.6 | 173.8 | -154.5 | 175.3 | -168.1 | 177.5 | 2.3 | 107.1 | L125 A129 | L125-R127 PolarHBondContact O-N 3.47Å; L125-R127 VanDerWaalsContact O-N 3.08Å; R127-A129 PolarHBondContact O-N 2.9Å | ||
| 128 | G | 51.9 | Low | 52.9 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -59.3 | 120.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | L126 A130 | L126-G128 PolarHBondContact O-N 2.67Å; G128-A130 PolarHBondContact O-N 3.19Å | ||
| 129 | A | 53.8 | Low | 52.2 | Low | 55 Ų | 55 | 129 Ų | 129 | 46% | 0.455 | 75% | 0.747 | S | S | . | * | trans | -63.2 | 114.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | R127 V131 | R127-A129 PolarHBondContact O-N 2.9Å; A129-V131 VanDerWaalsContact C-N 3.32Å; A129-V131 PolarHBondContact O-N 2.99Å | ||
| 130 | A | 44.6 | Very low | 51.6 | Low | 97 Ų | 97 | 130.6 Ų | 130.6 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 101.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | G128 S132 | G128-A130 PolarHBondContact O-N 3.19Å; A130-S132 VanDerWaalsContact C-N 3.3Å; A130-S132 PolarHBondContact O-N 3.48Å | ||
| 131 | V | 47.9 | Very low | 51.5 | Low | 92 Ų | 92 | 129.5 Ų | 129.5 | 56% | 0.558 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 101.9 | 169 | -176.5 | 0 | 0 | 0 | 0 | 105 | A129 I133 | A129-V131 VanDerWaalsContact C-N 3.32Å; A129-V131 PolarHBondContact O-N 2.99Å; V131-I133 HydrophobicContact CB-CG1 4.42Å; V131-I133 HydrophobicContact CG1-CG1 3.76Å; V131-I133 PolarHBondContact O-N 2.91Å | ||
| 132 | S | 44.7 | Very low | 51.2 | Low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -68.5 | 81.1 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 107 | A130 S134 | A130-S132 VanDerWaalsContact C-N 3.3Å; A130-S132 PolarHBondContact O-N 3.48Å; S132-S134 PolarHBondContact O-N 3.09Å | ||
| 133 | I | 46 | Very low | 50.8 | Low | 139 Ų | 139 | 127.3 Ų | 127.3 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -65.9 | 97.2 | 162.2 | -58.6 | 174.7 | 0 | 0 | 0 | 103.9 | V131 A135 | V131-I133 HydrophobicContact CB-CG1 4.42Å; V131-I133 HydrophobicContact CG1-CG1 3.76Å; V131-I133 PolarHBondContact O-N 2.91Å; I133-A135 PolarHBondContact O-N 2.96Å | ||
| 134 | S | 42.9 | Very low | 49.9 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -61.1 | 102.6 | 169.3 | 50.9 | 0 | 0 | 0 | 0 | 107 | S132 | S132-S134 PolarHBondContact O-N 3.09Š| ||
| 135 | A | 37.9 | Very low | 48.8 | Very low | 81 Ų | 81 | 124.2 Ų | 124.2 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 137.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I133 G137 | I133-A135 PolarHBondContact O-N 2.96Å; A135-G137 PolarHBondContact O-N 2.75Å |
| 136 | P | 43.7 | Very low | 47.6 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 53% | 0.532 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 131.2 | 174.3 | 20.4 | -20.7 | 0 | 0 | 0 | 108.6 | E41 H138 | E41-P136 HydrophobicContact CG-CG 4.37Å; E41-P136 VanDerWaalsContact OE1-CG 3.27Å; E41-P136 WeakPolarHBondContact OE1-CG 3.23Å; P136-H138 PolarHBondContact O-N 2.96Å |
| 137 | G | 42.5 | Very low | 46.2 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A135 D139 | A135-G137 PolarHBondContact O-N 2.75Å; G137-D139 VanDerWaalsContact C-N 3.29Å; G137-D139 PolarHBondContact O-N 3.32Å; G137-D139 VanDerWaalsContact O-N 3.13Å |
| 138 | H | 40.5 | Very low | 44.9 | Very low | 174 Ų | 174 | 109.5 Ų | 109.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | -79.8 | 82.6 | 166.8 | -162.8 | -67.1 | 0 | 0 | 0 | 107.3 | P136 S140 | P136-H138 PolarHBondContact O-N 2.96Å; H138-S140 PolarHBondContact O-N 3.11Å | ||
| 139 | D | 42.2 | Very low | 44.3 | Very low | 160 Ų | 160 | 112.5 Ų | 112.5 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -63.9 | 123.8 | 168.3 | -81.5 | -21 | 0 | 0 | 0 | 108.3 | G137 | G137-D139 VanDerWaalsContact C-N 3.29Å; G137-D139 PolarHBondContact O-N 3.32Å; G137-D139 VanDerWaalsContact O-N 3.13Å | ||
| 140 | S | 44.9 | Very low | 43.4 | Very low | 178 Ų | 178 | 117.7 Ų | 117.7 | 100% | 1.245 | 77% | 0.768 | S | S | * | * | trans | -96.9 | 0 | 170.1 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | H138 | H138-S140 PolarHBondContact O-N 3.11Š|
Retrieved 140 of 140 residues in 63.2 ms
(Link to these results)