| 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 | 44.4 | Very low | 60.6 | Low | 235 Ų | 235 | 120.6 Ų | 120.6 | 100% | 1.158 | 63% | 0.63 | S | S | * | * | 0 | 86.6 | 0 | -65.6 | 163 | 169.6 | 0 | 0 | 109.7 | |||||
| 2 | K | 51.3 | Low | 61.5 | Low | 179 Ų | 179 | 118.8 Ų | 118.8 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | trans | -125.4 | 11.1 | 178.2 | -73 | 176.9 | 178.4 | 171.1 | 0 | 112.5 | P5 | K2-P5 WeakPolarHBondContact O-CD 3.11Š| ||
| 3 | L | 48.6 | Very low | 62.7 | Low | 139 Ų | 139 | 116.8 Ų | 116.8 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.2 | -31.8 | -176.1 | -122.9 | 71.2 | 0 | 0 | 0 | 112.6 | S6 V7 | L3-S6 PolarHBondContact O-N 2.93Å; L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.04Å; L3-V7 PolarHBondContact O-N 3.12Å |
| 4 | L | 54.4 | Low | 63.4 | Low | 133 Ų | 133 | 112.1 Ų | 112.1 | 70% | 0.696 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -54.7 | -48.2 | -177.5 | -72.5 | 158.9 | 0 | 0 | 0 | 114.4 | S6 V7 V8 | L4-S6 PolarHBondContact O-N 3Å; L4-V7 PolarHBondContact O-N 3.26Å; L4-V8 WeakPolarHBondContact O-CB 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.23Å; L4-V8 WeakPolarHBondContact O-CG2 3.17Å; L4-V8 PolarHBondContact O-N 3.36Å |
| 5 | P | 60.8 | Low | 64 | Low | 89 Ų | 89 | 108.5 Ų | 108.5 | 58% | 0.578 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.6 | -32.1 | -179.2 | 26.1 | -34.8 | 0 | 0 | 0 | 113 | K2 L9 | K2-P5 WeakPolarHBondContact O-CD 3.11Å; P5-L9 WeakPolarHBondContact O-CB 3.46Å; P5-L9 PolarHBondContact O-N 2.86Å |
| 6 | S | 58.5 | Low | 64.6 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 41% | 0.406 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71 | -38.7 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | L3 L4 K10 | L3-S6 PolarHBondContact O-N 2.93Å; L4-S6 PolarHBondContact O-N 3Å; S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CG 3.12Å; S6-K10 PolarHBondContact O-N 2.98Å |
| 7 | V | 64.5 | Low | 64.8 | Low | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.8 | -42.1 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | L3 L4 K10 L11 | L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.04Å; L3-V7 PolarHBondContact O-N 3.12Å; L4-V7 PolarHBondContact O-N 3.26Å; V7-K10 PolarHBondContact O-N 3.11Å; V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.16Å |
| 8 | V | 69.8 | Low | 65 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -42 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L4 K10 L11 L12 | L4-V8 WeakPolarHBondContact O-CB 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.23Å; L4-V8 WeakPolarHBondContact O-CG2 3.17Å; L4-V8 PolarHBondContact O-N 3.36Å; V8-K10 PolarHBondContact O-N 2.73Å; V8-L11 PolarHBondContact O-N 3.22Å; V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.05Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.28Å |
| 9 | L | 68.7 | Low | 64.7 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 36% | 0.356 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -40.9 | 175.3 | -177.5 | 63.2 | 0 | 0 | 0 | 111.9 | P5 L12 L13 L176 | P5-L9 WeakPolarHBondContact O-CB 3.46Å; P5-L9 PolarHBondContact O-N 2.86Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CG-CD1 4.08Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.4Å; L9-L176 HydrophobicContact CD1-CD1 4.11Å; L9-L176 HydrophobicContact CD1-CD2 3.58Å; L9-L176 HydrophobicContact CD1-CG 4.5Å |
| 10 | K | 73.9 | Confident | 64.2 | Low | 144 Ų | 144 | 102.3 Ų | 102.3 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.5 | -37.3 | 174.2 | -76.3 | 179.4 | 179.5 | -172.5 | 0 | 111.9 | S6 V7 V8 A14 | S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CG 3.12Å; S6-K10 PolarHBondContact O-N 2.98Å; V7-K10 PolarHBondContact O-N 3.11Å; V8-K10 PolarHBondContact O-N 2.73Å; K10-A14 WeakPolarHBondContact O-CB 3.47Å; K10-A14 PolarHBondContact O-N 3.28Å |
| 11 | L | 71.6 | Confident | 63.9 | Low | 123 Ų | 123 | 103.4 Ų | 103.4 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 175.9 | -129.9 | 78.9 | 0 | 0 | 0 | 111.5 | V7 V8 A14 A15 | V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 3.22Å; L11-A14 PolarHBondContact O-N 2.88Å; L11-A15 VanDerWaalsContact O-CB 3.25Å; L11-A15 WeakPolarHBondContact O-CB 3.01Å; L11-A15 PolarHBondContact O-N 2.97Å |
| 12 | L | 71.8 | Confident | 64.3 | Low | 99 Ų | 99 | 95.7 Ų | 95.7 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.6 | -45 | 176.9 | -73.8 | 169.1 | 0 | 0 | 0 | 111.4 | V8 L9 A14 A15 V16 | V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.05Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.28Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.82Å; L12-A15 PolarHBondContact O-N 3.26Å; L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 3.34Å |
| 13 | L | 76.5 | Confident | 64.4 | Low | 93 Ų | 93 | 90.4 Ų | 90.4 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.4 | -81.8 | 165.4 | 0 | 0 | 0 | 111.2 | L9 V16 L17 | L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CG-CD1 4.08Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.4Å; L13-V16 PolarHBondContact O-N 3.36Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.86Å |
| 14 | A | 72.9 | Confident | 64.3 | Low | 50 Ų | 50 | 91.2 Ų | 91.2 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K10 L11 L12 L17 S18 | K10-A14 WeakPolarHBondContact O-CB 3.47Å; K10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 2.88Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.82Å; A14-L17 PolarHBondContact O-N 3.37Å; A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 2.06Å; A14-S18 PolarHBondContact O-OG 3.1Å |
| 15 | A | 71.9 | Confident | 64.1 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 L12 A19 | L11-A15 VanDerWaalsContact O-CB 3.25Å; L11-A15 WeakPolarHBondContact O-CB 3.01Å; L11-A15 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 2.88Å |
| 16 | V | 73.5 | Confident | 63.5 | Low | 62 Ų | 62 | 90.4 Ų | 90.4 | 38% | 0.376 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -44.8 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L12 L13 S18 A19 L20 | L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 3.34Å; L13-V16 PolarHBondContact O-N 3.36Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-A19 PolarHBondContact O-N 3.04Å; V16-L20 HydrophobicContact CG1-CD1 3.77Å; V16-L20 WeakPolarHBondContact O-CB 3.22Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.34Å |
| 17 | L | 67.8 | Low | 63 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 175 | -72.7 | 167.8 | 0 | 0 | 0 | 111.6 | L13 A14 L20 V21 | L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.86Å; A14-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 3.11Å; L17-V21 VanDerWaalsContact O-CB 3.28Å; L17-V21 WeakPolarHBondContact O-CB 3.2Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.03Å; L17-V21 PolarHBondContact O-N 2.75Å |
| 18 | S | 68.6 | Low | 62.2 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 46% | 0.462 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -48.3 | 172.2 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | A14 V16 L20 V21 T22 | A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 2.06Å; A14-S18 PolarHBondContact O-OG 3.1Å; V16-S18 VanDerWaalsContact C-N 3.34Å; S18-L20 PolarHBondContact O-N 3.01Å; S18-V21 PolarHBondContact O-N 2.88Å; S18-V21 VanDerWaalsContact O-N 3.11Å; S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 2.03Å |
| 19 | A | 59.9 | Low | 61.1 | Low | 72 Ų | 72 | 96.8 Ų | 96.8 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -28.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A15 V16 | A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 2.88Å; V16-A19 PolarHBondContact O-N 3.04Å |
| 20 | L | 55.2 | Low | 60 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.4 | -35.2 | 173.6 | -81.6 | 153.5 | 0 | 0 | 0 | 113 | V16 L17 S18 | V16-L20 HydrophobicContact CG1-CD1 3.77Å; V16-L20 WeakPolarHBondContact O-CB 3.22Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 3.11Å; S18-L20 PolarHBondContact O-N 3.01Å |
| 21 | V | 56.8 | Low | 58.8 | Low | 125 Ų | 125 | 104 Ų | 104 | 76% | 0.758 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85.8 | -40.3 | -178.1 | 165.7 | 0 | 0 | 0 | 0 | 112.1 | L17 S18 G23 | L17-V21 VanDerWaalsContact O-CB 3.28Å; L17-V21 WeakPolarHBondContact O-CB 3.2Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.03Å; L17-V21 PolarHBondContact O-N 2.75Å; S18-V21 PolarHBondContact O-N 2.88Å; S18-V21 VanDerWaalsContact O-N 3.11Å; V21-G23 PolarHBondContact O-N 3.41Å |
| 22 | T | 52.7 | Low | 57.7 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 45% | 0.448 | 58% | 0.575 | S | S | . | * | trans | -88.8 | 83.4 | 170.1 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | S18 E24 | S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 2.03Å; T22-E24 PolarHBondContact O-N 2.88Å | ||
| 23 | G | 55 | Low | 56.7 | Low | 69 Ų | 69 | 102.4 Ų | 102.4 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 48.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V21 | V21-G23 PolarHBondContact O-N 3.41Š|
| 24 | E | 44.9 | Very low | 54.9 | Low | 155 Ų | 155 | 102 Ų | 102 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -3.9 | -174.6 | -81.5 | -164.3 | 109.2 | 0 | 0 | 114.4 | T22 | T22-E24 PolarHBondContact O-N 2.88Š|
| 25 | S | 50.3 | Low | 53.3 | Low | 102 Ų | 102 | 103.9 Ų | 103.9 | 71% | 0.713 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -96.4 | 9.8 | 176.9 | -145.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | L | 48.2 | Very low | 51.9 | Low | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -95 | -15.1 | 172.1 | -156.4 | 75.9 | 0 | 0 | 0 | 112.9 | R30 Y157 | L26-R30 PolarHBondContact O-N 3.07Å; L26-Y157 HydrophobicContact CD2-CE2 4.22Å; L26-Y157 WeakPolarHBondContact CD2-OH 3.36Å |
| 27 | E | 49.6 | Very low | 50.3 | Low | 87 Ų | 87 | 106.7 Ų | 106.7 | 41% | 0.407 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -85.6 | -27.6 | -178.1 | -78.8 | -74.1 | 129.8 | 0 | 0 | 113.3 | R30 R31 | E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.17Å; E27-R30 WeakPolarHBondContact OE1-CD 3.35Å; E27-R30 IonicContact OE1-CZ 3.81Å; E27-R30 IonicContact OE1-NH1 2.81Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R31 PolarHBondContact O-N 3.02Å; E27-R31 VanDerWaalsContact O-N 3.16Å |
| 28 | L | 46.3 | Very low | 48.8 | Very low | 140 Ų | 140 | 107.1 Ų | 107.1 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.4 | -35.2 | 176.4 | -104.1 | 158.5 | 0 | 0 | 0 | 112.6 | R30 G32 | L28-R30 VanDerWaalsContact C-N 3.29Å; L28-G32 PolarHBondContact O-N 2.73Å |
| 29 | L | 47.3 | Very low | 47.4 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.4 | -29.7 | 171.7 | -119.3 | 141.1 | 0 | 0 | 0 | 111.8 | L33 | L29-L33 PolarHBondContact O-N 3.03Å |
| 30 | R | 46 | Very low | 46.5 | Very low | 170 Ų | 170 | 113.2 Ų | 113.2 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.4 | -37.1 | 176.8 | -154 | 178.7 | -170.1 | -175.2 | 1.6 | 112.8 | L26 E27 L28 | L26-R30 PolarHBondContact O-N 3.07Å; E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.17Å; E27-R30 WeakPolarHBondContact OE1-CD 3.35Å; E27-R30 IonicContact OE1-CZ 3.81Å; E27-R30 IonicContact OE1-NH1 2.81Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; L28-R30 VanDerWaalsContact C-N 3.29Å |
| 31 | R | 47.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 114.2 Ų | 114.2 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.8 | -30.6 | 174.9 | -74.8 | -175.9 | 177.8 | 144.7 | 1.9 | 113.3 | E27 | E27-R31 PolarHBondContact O-N 3.02Å; E27-R31 VanDerWaalsContact O-N 3.16Å |
| 32 | G | 49.4 | Very low | 45 | Very low | 53 Ų | 53 | 113.5 Ų | 113.5 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -69.5 | -32.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L28 | L28-G32 PolarHBondContact O-N 2.73Å |
| 33 | L | 49.3 | Very low | 43.8 | Very low | 136 Ų | 136 | 115 Ų | 115 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -84.6 | -19.5 | -178 | -127.6 | 73.5 | 0 | 0 | 0 | 114.2 | L29 | L29-L33 PolarHBondContact O-N 3.03Å |
| 34 | A | 40.5 | Very low | 42.9 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.4 | -17.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 35 | A | 38.9 | Very low | 42 | Very low | 91 Ų | 91 | 115.1 Ų | 115.1 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -92.7 | -2.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 36 | G | 41.1 | Very low | 40.9 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -100.6 | -1.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 37 | T | 40.2 | Very low | 40 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | -132.2 | 68.3 | -176.4 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | S | 36.5 | Very low | 39.2 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -71.2 | 124.4 | 154.2 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 39 | N | 40 | Very low | 38.5 | Very low | 139 Ų | 139 | 121.8 Ų | 121.8 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -40.7 | 156.1 | 179.5 | -70.6 | -50.9 | 0 | 0 | 0 | 115.5 | ||||
| 40 | P | 39.6 | Very low | 37.7 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | -132 | 126.8 | 94.1 | 33.8 | -22.2 | 0 | 0 | 0 | 113.8 | |||||
| 41 | D | 31.1 | Very low | 36.9 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -74.9 | 168.6 | 143.9 | -88.6 | -45.3 | 0 | 0 | 0 | 108.7 | ||||
| 42 | P | 50.2 | Low | 35.8 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | -138.8 | 171.4 | 10.9 | 30.2 | -7.7 | 0 | 0 | 0 | 115 | ||||
| 43 | S | 27.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 156.9 | 111 | 124.6 | -69.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 44 | T | 34.9 | Very low | 34 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | 24.3 | 114.9 | 130.5 | -25.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 45 | G | 27.1 | Very low | 33.5 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -178.4 | 98.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 46 | S | 27.1 | Very low | 33.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -35.5 | 131.3 | 161.5 | 177.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 47 | T | 29.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | 171 | 148.9 | 119.1 | 18.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 48 | D | 31.8 | Very low | 32.4 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 153.2 | 174.6 | -61.6 | -80.2 | 0 | 0 | 0 | 117 | ||||
| 49 | Q | 31.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | 169.8 | 110.8 | 122.2 | -87.6 | -166.6 | 103 | 0 | 0 | 110.9 | |||||
| 50 | L | 30.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 145 Ų | 145 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | 81.7 | 110.2 | 82.2 | -127.4 | 154.5 | 0 | 0 | 0 | 116 | |||||
| 51 | L | 29.3 | Very low | 31.5 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | 34.1 | 128.4 | 154.1 | -61.1 | 168.9 | 0 | 0 | 0 | 121.8 | ||||
| 52 | R | 26.1 | Very low | 31.5 | Very low | 253 Ų | 253 | 147.8 Ų | 147.8 | 96% | 0.955 | 81% | 0.813 | S | S | * | * | trans | -142 | 96.5 | 142 | -99.5 | -92.5 | 152.5 | 83.6 | -3.5 | 110.6 | ||||
| 53 | L | 30.9 | Very low | 30.6 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -97.7 | 135.4 | 166.3 | -161 | 79.5 | 0 | 0 | 0 | 108.6 | ||||
| 54 | G | 29.6 | Very low | 31 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 157.7 | 137.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 55 | G | 29.6 | Very low | 31.2 | Very low | 80 Ų | 80 | 154.3 Ų | 154.3 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | cis | -178.8 | 147.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 56 | G | 32.2 | Very low | 31.7 | Very low | 74 Ų | 74 | 159.4 Ų | 159.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -79.6 | -176.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 57 | R | 33.6 | Very low | 32.1 | Very low | 253 Ų | 253 | 158.8 Ų | 158.8 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | trans | -166 | 119.6 | 146.8 | -108.2 | 170.4 | -165.4 | 177.5 | 4.7 | 111.8 | ||||
| 58 | D | 32.3 | Very low | 32.4 | Very low | 157 Ų | 157 | 158 Ų | 158 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | -57.1 | 139.8 | 159.5 | -78.3 | -89.8 | 0 | 0 | 0 | 113.7 | ||||
| 59 | R | 36.5 | Very low | 33 | Very low | 230 Ų | 230 | 158.2 Ų | 158.2 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | -179.7 | 126.2 | 120.4 | -108.6 | 174.4 | 172 | 164.3 | -1.7 | 114.6 | |||||
| 60 | K | 28.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 155.1 Ų | 155.1 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | 78.6 | 99.2 | 135.8 | -131.3 | 153.4 | -178.2 | 175.5 | 0 | 117.4 | ||||
| 61 | V | 31 | Very low | 33.7 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | 91.1 | 119.5 | 70.7 | 163.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 62 | R | 31.6 | Very low | 34 | Very low | 209 Ų | 209 | 153.8 Ų | 153.8 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | trans | 67.6 | 108.3 | 153.2 | -69.9 | 168.9 | 74.5 | 158.5 | 9.8 | 118.1 | ||||
| 63 | D | 31 | Very low | 34.6 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | S | Bend | 176.8 | 102.6 | 101 | -85.8 | -38.3 | 0 | 0 | 0 | 108.9 | |||
| 64 | L | 36.3 | Very low | 35 | Very low | 176 Ų | 176 | 148.5 Ų | 148.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -174.5 | 34.6 | 147.4 | -123.8 | 102 | 0 | 0 | 0 | 112.5 | E66 | L64-E66 PolarHBondContact O-N 2.03Š| ||
| 65 | Q | 40 | Very low | 35.4 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 74.5 | 174.8 | -169.1 | 95.7 | 38.8 | 0 | 0 | 108.3 | ||||
| 66 | E | 38 | Very low | 36.3 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -165.3 | 33.1 | 166.3 | -152.7 | 76.1 | 158.5 | 0 | 0 | 114.1 | L64 | L64-E66 PolarHBondContact O-N 2.03Š|
| 67 | A | 34.6 | Very low | 37.3 | Very low | 98 Ų | 98 | 157 Ų | 157 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -153.7 | 3.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 68 | D | 35.4 | Very low | 37.4 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | trans | -111.5 | 5.6 | -174.6 | -159 | 40.9 | 0 | 0 | 0 | 114.1 | D70 | D68-D70 PolarHBondContact O-N 3.06Š| ||
| 69 | L | 44.3 | Very low | 37.3 | Very low | 148 Ų | 148 | 152 Ų | 152 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 29.4 | -178.5 | -149 | 76.3 | 0 | 0 | 0 | 113.6 | ||
| 70 | D | 37.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | -9.5 | 171.8 | -95.5 | -40.2 | 0 | 0 | 0 | 114.6 | D68 R73 | D68-D70 PolarHBondContact O-N 3.06Å; D70-R73 IonicContact OD1-NH1 3.51Å |
| 71 | L | 39 | Very low | 37.6 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -17.5 | 175.1 | -157.2 | 64.2 | 0 | 0 | 0 | 113.5 | R73 | L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.11Å |
| 72 | L | 36.4 | Very low | 37.8 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -3.5 | 174.8 | -95.5 | 94.1 | 0 | 0 | 0 | 114.6 | ||
| 73 | R | 37.4 | Very low | 38.5 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 73% | 0.725 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -11.3 | -178.2 | -95.9 | -175.5 | -179.2 | 132.7 | -1.7 | 115.3 | D70 L71 | D70-R73 IonicContact OD1-NH1 3.51Å; L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.11Å |
| 74 | V | 39.1 | Very low | 38.9 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -96.1 | -10.1 | -169.2 | -173.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 75 | T | 39.5 | Very low | 38.8 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -106 | 6.7 | 178.5 | 31.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 76 | L | 48.4 | Very low | 38.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -106 | 38.2 | 178.6 | -121.4 | 147.9 | 0 | 0 | 0 | 113.1 | ||||
| 77 | S | 52.8 | Low | 39 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -131 | 81.2 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | S | 35.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -134.6 | 118.9 | 144.4 | 60.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 79 | K | 30 | Very low | 39.7 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -42.9 | 141.6 | 173.3 | -157.3 | 84 | 172.2 | -174.1 | 0 | 110.5 | Q81 | K79-Q81 PolarHBondContact O-N 3.3Š| ||
| 80 | P | 39.3 | Very low | 39.4 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -66.6 | 112 | 177.4 | 27.8 | -33.2 | 0 | 0 | 0 | 109.1 | ||||
| 81 | Q | 31 | Very low | 39.9 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -86.6 | 126.1 | 162.8 | -78.4 | -164.9 | 4.4 | 0 | 0 | 109.1 | K79 | K79-Q81 PolarHBondContact O-N 3.3Š| ||
| 82 | A | 37 | Very low | 40.1 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -59.5 | 144 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 83 | L | 44.9 | Very low | 40.6 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | 58.8 | 91.7 | 141.4 | -156.5 | 77.9 | 0 | 0 | 0 | 117 | T85 | L83-T85 HydrophobicContact CD1-CG2 4.04Š| ||
| 84 | A | 39.5 | Very low | 41.2 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -129 | 80.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | P86 | A84-P86 WeakPolarHBondContact O-CD 3.43Š| ||
| 85 | T | 35 | Very low | 41.7 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 126.9 | 161 | 43 | 0 | 0 | 0 | 0 | 108.7 | L83 S87 | L83-T85 HydrophobicContact CD1-CG2 4.04Å; T85-S87 PolarHBondContact O-N 3.24Å | ||
| 86 | P | 37.9 | Very low | 42.5 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 101.8 | 159.9 | 28.3 | -27.7 | 0 | 0 | 0 | 106.7 | A84 K88 | A84-P86 WeakPolarHBondContact O-CD 3.43Å; P86-K88 PolarHBondContact O-N 2.97Å; P86-K88 VanDerWaalsContact O-N 3.17Å | ||
| 87 | S | 43.7 | Very low | 42.8 | Very low | 107 Ų | 107 | 156.9 Ų | 156.9 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -65.5 | 107.5 | 161.4 | -179.2 | 0 | 0 | 0 | 0 | 107 | T85 | T85-S87 PolarHBondContact O-N 3.24Š| ||
| 88 | K | 37.1 | Very low | 42.9 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -113.6 | 106.1 | 154.2 | -75.7 | -146 | 173.4 | -172.5 | 0 | 107.6 | P86 E90 | P86-K88 PolarHBondContact O-N 2.97Å; P86-K88 VanDerWaalsContact O-N 3.17Å; K88-E90 PolarHBondContact O-N 3.4Å | ||
| 89 | E | 46.9 | Very low | 44 | Very low | 175 Ų | 175 | 159.8 Ų | 159.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -64.5 | 112.4 | 160.4 | -168 | 175.6 | 172.7 | 0 | 0 | 107.5 | ||||
| 90 | E | 39.2 | Very low | 45.2 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 104.7 | 169.8 | -166 | -174.1 | 140.6 | 0 | 0 | 108.8 | K88 G92 | K88-E90 PolarHBondContact O-N 3.4Å; E90-G92 PolarHBondContact O-N 3.37Å | ||
| 91 | H | 48.9 | Very low | 46 | Very low | 191 Ų | 191 | 156.9 Ų | 156.9 | 88% | 0.884 | 82% | 0.824 | S | S | * | * | trans | -68.1 | 102.3 | 167.7 | -120.8 | 43.1 | 0 | 0 | 0 | 108.9 | ||||
| 92 | G | 42.8 | Very low | 47 | Very low | 56 Ų | 56 | 150.9 Ų | 150.9 | 58% | 0.577 | 82% | 0.815 | S | S | * | * | trans | -146.3 | 114.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E90 R94 | E90-G92 PolarHBondContact O-N 3.37Å; G92-R94 PolarHBondContact O-N 3.04Å | ||
| 93 | K | 46.1 | Very low | 48.1 | Very low | 215 Ų | 215 | 155.7 Ų | 155.7 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -50.1 | 123.9 | -174.3 | -71.2 | 178.3 | 176.6 | 177.9 | 0 | 113.3 | K95 | K93-K95 PolarHBondContact O-N 2.66Å; K93-K95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | R | 50.2 | Low | 49 | Very low | 250 Ų | 250 | 157.7 Ų | 157.7 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -68.1 | 101.1 | 177 | -70 | 179.2 | 171.5 | -178.6 | -1.7 | 111.8 | G92 | G92-R94 PolarHBondContact O-N 3.04Š| ||
| 95 | K | 50.4 | Low | 50.5 | Low | 207 Ų | 207 | 161.8 Ų | 161.8 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 108.6 | 157.1 | -84.5 | -174.7 | 175.8 | 178.3 | 0 | 109.2 | K93 K97 | K93-K95 PolarHBondContact O-N 2.66Å; K93-K95 VanDerWaalsContact O-N 3.12Å; K95-K97 PolarHBondContact O-N 3.35Å | ||
| 96 | K | 56.4 | Low | 52.7 | Low | 218 Ų | 218 | 161.6 Ų | 161.6 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -71.6 | 87.6 | -178.9 | -150.7 | 177.2 | -171.7 | 179.7 | 0 | 109.4 | ||||
| 97 | K | 54.3 | Low | 55 | Low | 209 Ų | 209 | 157.6 Ų | 157.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -91 | 131.9 | 176.1 | -151.4 | 167.2 | -176.4 | 176.2 | 0 | 110 | K95 | K95-K97 PolarHBondContact O-N 3.35Š| ||
| 98 | G | 53.9 | Low | 57.1 | Low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | -52.3 | 152.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G100 | G98-G100 VanDerWaalsContact C-N 3.33Å; G98-G100 PolarHBondContact O-N 3.1Å | ||
| 99 | K | 58.8 | Low | 59.3 | Low | 221 Ų | 221 | 149.3 Ų | 149.3 | 96% | 0.961 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 85.2 | 174.4 | -72.3 | 179.7 | 173.6 | -179 | 0 | 109.7 | ||||
| 100 | G | 54.9 | Low | 61.1 | Low | 62 Ų | 62 | 150.8 Ų | 150.8 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | -76.9 | 142.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | G98 G102 | G98-G100 VanDerWaalsContact C-N 3.33Å; G98-G100 PolarHBondContact O-N 3.1Å; G100-G102 PolarHBondContact O-N 3.31Å | ||
| 101 | L | 56.6 | Low | 63.3 | Low | 188 Ų | 188 | 149.8 Ų | 149.8 | 98% | 0.984 | 73% | 0.731 | S | S | * | * | trans | -44.2 | 98.6 | 178.7 | -75.1 | 113.6 | 0 | 0 | 0 | 111.7 | K103 | L101-K103 PolarHBondContact O-N 3.03Š| ||
| 102 | G | 53.1 | Low | 65.1 | Low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -89.4 | 94 | -167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G100 K104 | G100-G102 PolarHBondContact O-N 3.31Å; G102-K104 PolarHBondContact O-N 2.79Å; G102-K104 VanDerWaalsContact O-N 3.16Å | ||
| 103 | K | 60.1 | Low | 67.1 | Low | 194 Ų | 194 | 147.3 Ų | 147.3 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -47.6 | 125.3 | 150.9 | -67.2 | -178.2 | -179.8 | -176.8 | 0 | 106.3 | L101 R105 | L101-K103 PolarHBondContact O-N 3.03Å; K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.07Å | ||
| 104 | K | 63.9 | Low | 69.1 | Low | 190 Ų | 190 | 143.1 Ų | 143.1 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | trans | -53.4 | 96.7 | -178.8 | -174.8 | -175.7 | -179.1 | -168.1 | 0 | 108 | G102 | G102-K104 PolarHBondContact O-N 2.79Å; G102-K104 VanDerWaalsContact O-N 3.16Å | ||
| 105 | R | 71.2 | Confident | 71 | Confident | 187 Ų | 187 | 133.5 Ų | 133.5 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | trans | -64.2 | 143.8 | -177.9 | -72.1 | -169.3 | 179.4 | -166.7 | -0.9 | 108.5 | K103 | K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.07Å | ||
| 106 | D | 79.9 | Confident | 73 | Confident | 98 Ų | 98 | 124.4 Ų | 124.4 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | trans | -56 | 133.6 | -176.3 | -62.8 | -64.4 | 0 | 0 | 0 | 111.3 | C108 L109 | D106-C108 PolarHBondContact O-N 2.71Å; D106-C108 VanDerWaalsContact O-N 3.11Å; D106-L109 PolarHBondContact O-N 2.74Å | ||
| 107 | P | 87.5 | Confident | 74.7 | Confident | 35 Ų | 35 | 118.3 Ų | 118.3 | 23% | 0.227 | 59% | 0.593 | C | S | . | * | G | 310 helix | trans | -55.9 | -27.7 | 178.3 | -28.1 | 36.2 | 0 | 0 | 0 | 113.7 | L109 R110 K111 Y112 Y123 | P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 2.66Å; P107-R110 PolarHBondContact O-N 2.87Å; P107-K111 PolarHBondContact O-N 3Å; P107-Y112 HydrophobicContact CB-CD2 4.16Å; P107-Y112 HydrophobicContact CB-CE2 4.26Å; P107-Y112 PolarHBondContact O-N 3.34Å; P107-Y123 HydrophobicContact CB-CD2 3.83Å; P107-Y123 HydrophobicContact CB-CE2 4.14Å; P107-Y123 HydrophobicContact CB-CG 4.03Å; P107-Y123 HydrophobicContact CG-CD1 3.86Å; P107-Y123 HydrophobicContact CG-CD2 4.05Å; P107-Y123 HydrophobicContact CG-CE1 4.05Å; P107-Y123 HydrophobicContact CG-CE2 4.25Å; P107-Y123 HydrophobicContact CG-CG 3.83Å |
| 108 | C | 86.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 111.5 Ų | 111.5 | 7% | 0.068 | 56% | 0.564 | C | S | . | * | G | 310 helix | trans | -56.3 | -39.8 | 173 | -81.1 | 0 | 0 | 0 | 0 | 112.8 | D106 R110 Y112 K113 C121 K122 | D106-C108 PolarHBondContact O-N 2.71Å; D106-C108 VanDerWaalsContact O-N 3.11Å; C108-R110 VanDerWaalsContact C-N 3.28Å; C108-R110 PolarHBondContact O-N 2.76Å; C108-Y112 CarbonylContact O-C 3.25Å; C108-Y112 VanDerWaalsContact O-C 3.25Å; C108-K113 WeakPolarHBondContact O-CA 3.34Å; C108-K113 PolarHBondContact O-N 3Å; C108-C121 HydrophobicContact CB-CB 3.72Å; C108-C121 WeakPolarHBondContact CB-SG 3.15Å; C108-C121 WeakPolarHBondContact SG-CB 3.45Å; C108-C121 PolarHBondContact SG-O 3.06Å; C108-C121 VanDerWaalsContact SG-O 3.37Å; C108-C121 CovalentContact SG-SG 2.06Å; C108-C121 PolarHBondContact SG-SG 3.4Å; C108-K122 VanDerWaalsContact SG-C 3.56Å |
| 109 | L | 84.3 | Confident | 78.3 | Confident | 118 Ų | 118 | 109 Ų | 109 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -78 | -11.1 | -176.5 | -64.1 | 175.7 | 0 | 0 | 0 | 114.1 | D106 P107 | D106-L109 PolarHBondContact O-N 2.74Å; P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 2.66Å |
| 110 | R | 83.6 | Confident | 79.9 | Confident | 205 Ų | 205 | 104.5 Ų | 104.5 | 77% | 0.774 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -62.2 | -179.5 | -77.7 | -149.9 | 171.5 | -161.5 | -0.2 | 113.2 | P107 C108 | P107-R110 PolarHBondContact O-N 2.87Å; C108-R110 VanDerWaalsContact C-N 3.28Å; C108-R110 PolarHBondContact O-N 2.76Å |
| 111 | K | 85.8 | Confident | 81.7 | Confident | 154 Ų | 154 | 103 Ų | 103 | 67% | 0.67 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -31.2 | -170.9 | -173.5 | 177.5 | 175.7 | -165.9 | 0 | 112.3 | P107 | P107-K111 PolarHBondContact O-N 3Š|
| 112 | Y | 86.8 | Confident | 83.4 | Confident | 49 Ų | 49 | 100.1 Ų | 100.1 | 19% | 0.192 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -121 | 27.1 | -171.3 | -54 | -74 | 0 | 0 | 0 | 113.2 | P107 C108 D114 F115 Y123 P130 | P107-Y112 HydrophobicContact CB-CD2 4.16Å; P107-Y112 HydrophobicContact CB-CE2 4.26Å; P107-Y112 PolarHBondContact O-N 3.34Å; C108-Y112 CarbonylContact O-C 3.25Å; C108-Y112 VanDerWaalsContact O-C 3.25Å; Y112-D114 VanDerWaalsContact C-N 3.26Å; Y112-D114 PolarHBondContact O-N 3.33Å; Y112-F115 WeakPolarHBondContact O-CB 3.39Å; Y112-F115 PolarHBondContact O-N 3.45Å; Y112-F115 VanDerWaalsContact O-N 3.1Å; Y112-Y123 HydrophobicContact CE2-CD2 4.33Å; Y112-Y123 HydrophobicContact CE2-CE2 4.16Å; Y112-P130 HydrophobicContact CD1-CB 4.25Å; Y112-P130 HydrophobicContact CD1-CG 3.72Å; Y112-P130 HydrophobicContact CD2-CB 4.2Å; Y112-P130 HydrophobicContact CD2-CG 4.33Å; Y112-P130 HydrophobicContact CE1-CG 3.85Å; Y112-P130 HydrophobicContact CE2-CG 4.46Å; Y112-P130 HydrophobicContact CG-CB 3.97Å; Y112-P130 HydrophobicContact CG-CG 3.96Å |
| 113 | K | 84.3 | Confident | 85.2 | Confident | 146 Ų | 146 | 100.1 Ų | 100.1 | 64% | 0.635 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -39.5 | -173.3 | -172.4 | -173.3 | 171.8 | -153 | 0 | 112.3 | C108 | C108-K113 WeakPolarHBondContact O-CA 3.34Å; C108-K113 PolarHBondContact O-N 3Å |
| 114 | D | 88.3 | Confident | 86.6 | Confident | 127 Ų | 127 | 93 Ų | 93 | 68% | 0.679 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 22.4 | -178.5 | -46.8 | -55.8 | 0 | 0 | 0 | 111.6 | Y112 R142 | Y112-D114 VanDerWaalsContact C-N 3.26Å; Y112-D114 PolarHBondContact O-N 3.33Å; D114-R142 PolarHBondContact O-NH2 3.35Å |
| 115 | F | 90.3 | Very high | 87.7 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 21% | 0.211 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -47.7 | 177.4 | -177.2 | -103.3 | 0 | 0 | 0 | 111.1 | Y112 P130 C132 R142 | Y112-F115 WeakPolarHBondContact O-CB 3.39Å; Y112-F115 PolarHBondContact O-N 3.45Å; Y112-F115 VanDerWaalsContact O-N 3.1Å; F115-P130 HydrophobicContact CD1-CB 4.04Å; F115-P130 HydrophobicContact CD1-CG 3.98Å; F115-P130 HydrophobicContact CE1-CB 4.29Å; F115-P130 HydrophobicContact CE1-CG 3.96Å; F115-P130 HydrophobicContact CG-CG 4.34Å; F115-P130 HydrophobicContact CZ-CG 4.28Å; F115-C132 WeakPolarHBondContact CD1-SG 3.4Å; F115-R142 HydrophobicContact CD1-CG 4.39Å; F115-R142 HydrophobicContact CD2-CG 4.2Å; F115-R142 HydrophobicContact CE1-CG 3.91Å; F115-R142 HydrophobicContact CE2-CG 3.7Å; F115-R142 HydrophobicContact CZ-CG 3.54Å; F115-R142 WeakPolarHBondContact O-CB 2.98Å; F115-R142 VanDerWaalsContact O-CZ 3.29Å; F115-R142 PolarHBondContact O-NE 2.95Å; F115-R142 PolarHBondContact O-NH2 3.49Å; F115-R142 VanDerWaalsContact O-NH2 3.07Å |
| 116 | C | 92.9 | Very high | 88.5 | Confident | 15 Ų | 15 | 90 Ų | 90 | 10% | 0.101 | 43% | 0.426 | C | S | . | . | trans | -85.3 | 126.3 | 174.6 | -49.4 | 0 | 0 | 0 | 0 | 109.5 | C121 C132 | C116-C121 VanDerWaalsContact SG-CA 3.57Å; C116-C132 WeakPolarHBondContact CA-SG 3.26Å; C116-C132 HydrophobicContact CB-CB 3.82Å; C116-C132 WeakPolarHBondContact CB-SG 3.28Å; C116-C132 WeakPolarHBondContact SG-CA 3.08Å; C116-C132 WeakPolarHBondContact SG-CB 3.28Å; C116-C132 CovalentContact SG-SG 2.03Å; C116-C132 PolarHBondContact SG-SG 3.42Å | ||
| 117 | I | 91.9 | Very high | 88.8 | Confident | 90 Ų | 90 | 91.7 Ų | 91.7 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -85.5 | -53.7 | -179.4 | -49.8 | 176.4 | 0 | 0 | 0 | 109.8 | R142 H144 | I117-R142 PolarHBondContact N-O 3.16Å; I117-H144 HydrophobicContact CD1-CB 3.92Å |
| 118 | H | 92.4 | Very high | 88.7 | Confident | 67 Ų | 67 | 99.6 Ų | 99.6 | 31% | 0.31 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -122.4 | 66.5 | -179.3 | -56.4 | 99.3 | 0 | 0 | 0 | 110.6 | H135 Y138 C143 | H118-H135 PolarHBondContact O-N 2.76Å; H118-Y138 HydrophobicContact CB-CD1 3.52Å; H118-Y138 HydrophobicContact CB-CD2 3.96Å; H118-Y138 HydrophobicContact CB-CE1 3.71Å; H118-Y138 HydrophobicContact CB-CE2 4.13Å; H118-Y138 HydrophobicContact CB-CG 3.63Å; H118-Y138 AromaticContact CD2-CE1 3.66Å; H118-Y138 AromaticContact CD2-CZ 3.64Å; H118-Y138 AromaticContact CE1-CE1 3.63Å; H118-Y138 AromaticContact CG-CD1 3.58Å; H118-Y138 AromaticContact CG-CE1 3.28Å; H118-Y138 AromaticContact CG-CZ 3.66Å; H118-Y138 AromaticContact ND1-CD1 3.57Å; H118-Y138 AromaticContact ND1-CE1 3.27Å; H118-Y138 VanDerWaalsContact ND1-CE1 3.27Å; H118-Y138 WeakPolarHBondContact ND1-CE1 3.32Å; H118-Y138 AromaticContact NE2-CE1 3.87Å; H118-C143 HydrophobicContact CB-CB 4.31Å; H118-C143 PolarHBondContact ND1-O 2.98Å; H118-C143 VanDerWaalsContact O-CB 3.28Å; H118-C143 WeakPolarHBondContact O-CB 3.45Å |
| 119 | G | 91.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 100.9 Ų | 100.9 | 18% | 0.175 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I133 | G119-I133 CarbonylContact C-O 3.49Å; G119-I133 WeakPolarHBondContact CA-O 3.37Å |
| 120 | E | 92.4 | Very high | 89.1 | Confident | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.593 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.9 | -179 | -69.6 | -69.6 | 174.8 | 0 | 0 | 111 | C132 I133 | E120-C132 WeakPolarHBondContact O-CA 3.33Å; E120-I133 HydrophobicContact CB-CB 4.45Å; E120-I133 PolarHBondContact N-O 3.19Å; E120-I133 PolarHBondContact O-N 3.3Å |
| 121 | C | 92.8 | Very high | 89.4 | Confident | 30 Ų | 30 | 89.4 Ų | 89.4 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.2 | 177.5 | -176 | 0 | 0 | 0 | 0 | 111.4 | C108 C116 | C108-C121 HydrophobicContact CB-CB 3.72Å; C108-C121 WeakPolarHBondContact CB-SG 3.15Å; C108-C121 WeakPolarHBondContact SG-CB 3.45Å; C108-C121 PolarHBondContact SG-O 3.06Å; C108-C121 VanDerWaalsContact SG-O 3.37Å; C108-C121 CovalentContact SG-SG 2.06Å; C108-C121 PolarHBondContact SG-SG 3.4Å; C116-C121 VanDerWaalsContact SG-CA 3.57Å |
| 122 | K | 91.9 | Very high | 89.8 | Confident | 127 Ų | 127 | 82.9 Ų | 82.9 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.3 | 167.9 | -68.9 | -146.5 | 176.6 | 178.9 | 0 | 111.4 | C108 S131 I133 | C108-K122 VanDerWaalsContact SG-C 3.56Å; K122-S131 PolarHBondContact N-O 3.45Å; K122-S131 PolarHBondContact O-N 2.82Å; K122-S131 VanDerWaalsContact O-O 3.07Å; K122-I133 HydrophobicContact CD-CD1 3.95Å; K122-I133 HydrophobicContact CG-CD1 4.12Å |
| 123 | Y | 90.8 | Very high | 90 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.4 | 175.6 | -172.8 | -98.5 | 0 | 0 | 0 | 110.2 | P107 Y112 K125 R128 | P107-Y123 HydrophobicContact CB-CD2 3.83Å; P107-Y123 HydrophobicContact CB-CE2 4.14Å; P107-Y123 HydrophobicContact CB-CG 4.03Å; P107-Y123 HydrophobicContact CG-CD1 3.86Å; P107-Y123 HydrophobicContact CG-CD2 4.05Å; P107-Y123 HydrophobicContact CG-CE1 4.05Å; P107-Y123 HydrophobicContact CG-CE2 4.25Å; P107-Y123 HydrophobicContact CG-CG 3.83Å; Y112-Y123 HydrophobicContact CE2-CD2 4.33Å; Y112-Y123 HydrophobicContact CE2-CE2 4.16Å; Y123-K125 HydrophobicContact CD1-CG 4.3Å; Y123-K125 HydrophobicContact CE1-CG 4.47Å; Y123-R128 WeakPolarHBondContact CE2-O 3.3Å; Y123-R128 VanDerWaalsContact OH-CA 3.24Å; Y123-R128 WeakPolarHBondContact OH-CA 3.5Å; Y123-R128 PolarHBondContact OH-O 2.87Å |
| 124 | V | 90.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 79.7 Ų | 79.7 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.9 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | E126 L127 R128 A129 | V124-E126 VanDerWaalsContact C-N 3.32Å; V124-E126 HydrophobicContact CG1-CB 4.41Å; V124-E126 WeakPolarHBondContact CG1-OE2 3.1Å; V124-E126 PolarHBondContact O-N 3.26Å; V124-L127 HydrophobicContact CB-CD1 4.32Å; V124-L127 HydrophobicContact CG1-CD1 3.54Å; V124-R128 WeakPolarHBondContact O-CA 3.2Å; V124-R128 PolarHBondContact O-N 2.8Å; V124-A129 PolarHBondContact N-O 3.18Å; V124-A129 PolarHBondContact O-N 3.45Å |
| 125 | K | 87.1 | Confident | 90.5 | Very high | 158 Ų | 158 | 78 Ų | 78 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -30.9 | -171.1 | -68.7 | 177.2 | -175.1 | 168.5 | 0 | 111.8 | Y123 R128 | Y123-K125 HydrophobicContact CD1-CG 4.3Å; Y123-K125 HydrophobicContact CE1-CG 4.47Å; K125-R128 WeakPolarHBondContact O-CG 2.96Å; K125-R128 PolarHBondContact O-N 2.64Å |
| 126 | E | 88.2 | Confident | 90.3 | Very high | 156 Ų | 156 | 81.9 Ų | 81.9 | 73% | 0.729 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -45.6 | -177.5 | -61.7 | 70.1 | -151.8 | 0 | 0 | 110.6 | V124 | V124-E126 VanDerWaalsContact C-N 3.32Å; V124-E126 HydrophobicContact CG1-CB 4.41Å; V124-E126 WeakPolarHBondContact CG1-OE2 3.1Å; V124-E126 PolarHBondContact O-N 3.26Å |
| 127 | L | 84.7 | Confident | 89.7 | Confident | 134 Ų | 134 | 82.7 Ų | 82.7 | 70% | 0.702 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.8 | 176.1 | -66.6 | 99.1 | 0 | 0 | 0 | 113.2 | V124 A129 | V124-L127 HydrophobicContact CB-CD1 4.32Å; V124-L127 HydrophobicContact CG1-CD1 3.54Å; L127-A129 HydrophobicContact CB-CB 4.32Å; L127-A129 PolarHBondContact O-N 3.21Å; L127-A129 VanDerWaalsContact O-N 3.11Å |
| 128 | R | 86.3 | Confident | 89.5 | Confident | 201 Ų | 201 | 81.9 Ų | 81.9 | 76% | 0.758 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 27.4 | -173.7 | -57.6 | -179.5 | 178.8 | -174.5 | 0.6 | 113.6 | Y123 V124 K125 | Y123-R128 WeakPolarHBondContact CE2-O 3.3Å; Y123-R128 VanDerWaalsContact OH-CA 3.24Å; Y123-R128 WeakPolarHBondContact OH-CA 3.5Å; Y123-R128 PolarHBondContact OH-O 2.87Å; V124-R128 WeakPolarHBondContact O-CA 3.2Å; V124-R128 PolarHBondContact O-N 2.8Å; K125-R128 WeakPolarHBondContact O-CG 2.96Å; K125-R128 PolarHBondContact O-N 2.64Å |
| 129 | A | 88 | Confident | 89.2 | Confident | 38 Ų | 38 | 83.3 Ų | 83.3 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V124 L127 | V124-A129 PolarHBondContact N-O 3.18Å; V124-A129 PolarHBondContact O-N 3.45Å; L127-A129 HydrophobicContact CB-CB 4.32Å; L127-A129 PolarHBondContact O-N 3.21Å; L127-A129 VanDerWaalsContact O-N 3.11Å |
| 130 | P | 90.8 | Very high | 89.1 | Confident | 27 Ų | 27 | 84.2 Ų | 84.2 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 145.4 | 169.4 | 34.1 | -35.6 | 0 | 0 | 0 | 110.9 | Y112 F115 | Y112-P130 HydrophobicContact CD1-CB 4.25Å; Y112-P130 HydrophobicContact CD1-CG 3.72Å; Y112-P130 HydrophobicContact CD2-CB 4.2Å; Y112-P130 HydrophobicContact CD2-CG 4.33Å; Y112-P130 HydrophobicContact CE1-CG 3.85Å; Y112-P130 HydrophobicContact CE2-CG 4.46Å; Y112-P130 HydrophobicContact CG-CB 3.97Å; Y112-P130 HydrophobicContact CG-CG 3.96Å; F115-P130 HydrophobicContact CD1-CB 4.04Å; F115-P130 HydrophobicContact CD1-CG 3.98Å; F115-P130 HydrophobicContact CE1-CB 4.29Å; F115-P130 HydrophobicContact CE1-CG 3.96Å; F115-P130 HydrophobicContact CG-CG 4.34Å; F115-P130 HydrophobicContact CZ-CG 4.28Å |
| 131 | S | 90.9 | Very high | 88.9 | Confident | 54 Ų | 54 | 86.2 Ų | 86.2 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142.7 | 172 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | K122 | K122-S131 PolarHBondContact N-O 3.45Å; K122-S131 PolarHBondContact O-N 2.82Å; K122-S131 VanDerWaalsContact O-O 3.07Å |
| 132 | C | 93.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 89.3 Ų | 89.3 | 12% | 0.122 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.3 | 178.4 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | F115 C116 E120 E141 C143 | F115-C132 WeakPolarHBondContact CD1-SG 3.4Å; C116-C132 WeakPolarHBondContact CA-SG 3.26Å; C116-C132 HydrophobicContact CB-CB 3.82Å; C116-C132 WeakPolarHBondContact CB-SG 3.28Å; C116-C132 WeakPolarHBondContact SG-CA 3.08Å; C116-C132 WeakPolarHBondContact SG-CB 3.28Å; C116-C132 CovalentContact SG-SG 2.03Å; C116-C132 PolarHBondContact SG-SG 3.42Å; E120-C132 WeakPolarHBondContact O-CA 3.33Å; C132-E141 PolarHBondContact SG-O 2.9Å; C132-E141 VanDerWaalsContact SG-O 3.41Å; C132-C143 VanDerWaalsContact CB-SG 3.55Å |
| 133 | I | 91.8 | Very high | 88.8 | Confident | 91 Ų | 91 | 83.3 Ų | 83.3 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 105.1 | 167.2 | -57.6 | 176 | 0 | 0 | 0 | 106.5 | G119 E120 K122 | G119-I133 CarbonylContact C-O 3.49Å; G119-I133 WeakPolarHBondContact CA-O 3.37Å; E120-I133 HydrophobicContact CB-CB 4.45Å; E120-I133 PolarHBondContact N-O 3.19Å; E120-I133 PolarHBondContact O-N 3.3Å; K122-I133 HydrophobicContact CD-CD1 3.95Å; K122-I133 HydrophobicContact CG-CD1 4.12Å |
| 134 | C | 92.4 | Very high | 88.8 | Confident | 37 Ų | 37 | 86 Ų | 86 | 25% | 0.25 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 147.6 | -175.7 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | Y138 C143 | C134-Y138 WeakPolarHBondContact CB-O 3.4Å; C134-C143 WeakPolarHBondContact CA-SG 2.98Å; C134-C143 HydrophobicContact CB-CB 3.69Å; C134-C143 WeakPolarHBondContact CB-SG 3.25Å; C134-C143 VanDerWaalsContact SG-CA 3.52Å; C134-C143 WeakPolarHBondContact SG-CB 3.37Å; C134-C143 CovalentContact SG-SG 2.03Å; C134-C143 PolarHBondContact SG-SG 3.3Å |
| 135 | H | 90.7 | Very high | 88.5 | Confident | 90 Ų | 90 | 84.4 Ų | 84.4 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 156.7 | 167.4 | -66.6 | 170.3 | 0 | 0 | 0 | 110.8 | H118 G137 Y138 | H118-H135 PolarHBondContact O-N 2.76Å; H135-G137 PolarHBondContact O-N 3.12Å; H135-Y138 HydrophobicContact CB-CD2 4.08Å; H135-Y138 PolarHBondContact O-N 2.91Å |
| 136 | P | 85.8 | Confident | 88.2 | Confident | 130 Ų | 130 | 81.4 Ų | 81.4 | 84% | 0.844 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 131.4 | 176.6 | -25.2 | 34.3 | 0 | 0 | 0 | 111.2 | Y138 | P136-Y138 VanDerWaalsContact C-N 3.34Š|
| 137 | G | 80.5 | Confident | 87.5 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H135 L146 S147 | H135-G137 PolarHBondContact O-N 3.12Å; G137-L146 CarbonylContact O-C 3.46Å; G137-L146 WeakPolarHBondContact O-CA 3.41Å; G137-L146 WeakPolarHBondContact O-CD1 3.21Å; G137-S147 CarbonylContact C-O 3.51Å; G137-S147 WeakPolarHBondContact CA-O 3.21Å; G137-S147 CarbonylContact O-C 3.58Å; G137-S147 WeakPolarHBondContact O-CA 3.45Å; G137-S147 PolarHBondContact O-N 3.42Å |
| 138 | Y | 87.8 | Confident | 86.4 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.6 | 169.3 | -70.5 | -94.1 | 0 | 0 | 0 | 111.4 | H118 C134 H135 P136 G145 L146 | H118-Y138 HydrophobicContact CB-CD1 3.52Å; H118-Y138 HydrophobicContact CB-CD2 3.96Å; H118-Y138 HydrophobicContact CB-CE1 3.71Å; H118-Y138 HydrophobicContact CB-CE2 4.13Å; H118-Y138 HydrophobicContact CB-CG 3.63Å; H118-Y138 AromaticContact CD2-CE1 3.66Å; H118-Y138 AromaticContact CD2-CZ 3.64Å; H118-Y138 AromaticContact CE1-CE1 3.63Å; H118-Y138 AromaticContact CG-CD1 3.58Å; H118-Y138 AromaticContact CG-CE1 3.28Å; H118-Y138 AromaticContact CG-CZ 3.66Å; H118-Y138 AromaticContact ND1-CD1 3.57Å; H118-Y138 AromaticContact ND1-CE1 3.27Å; H118-Y138 VanDerWaalsContact ND1-CE1 3.27Å; H118-Y138 WeakPolarHBondContact ND1-CE1 3.32Å; H118-Y138 AromaticContact NE2-CE1 3.87Å; C134-Y138 WeakPolarHBondContact CB-O 3.4Å; H135-Y138 HydrophobicContact CB-CD2 4.08Å; H135-Y138 PolarHBondContact O-N 2.91Å; P136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-G145 CarbonylContact C-O 3.56Å; Y138-G145 WeakPolarHBondContact CA-O 3.35Å; Y138-L146 HydrophobicContact CD1-CD1 4.18Å; Y138-L146 HydrophobicContact CD2-CD1 4.25Å; Y138-L146 HydrophobicContact CE1-CD1 3.78Å; Y138-L146 HydrophobicContact CE2-CD1 3.86Å; Y138-L146 HydrophobicContact CG-CD1 4.42Å |
| 139 | H | 86.6 | Confident | 85.1 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 166.2 | -178.1 | 71 | -84.3 | 0 | 0 | 0 | 112.4 | C143 H144 G145 S147 | H139-C143 CarbonylContact O-C 3.44Å; H139-C143 WeakPolarHBondContact O-CA 3.26Å; H139-H144 PolarHBondContact O-N 2.91Å; H139-G145 PolarHBondContact N-O 2.95Å; H139-G145 PolarHBondContact ND1-O 2.95Å; H139-G145 PolarHBondContact O-N 3.42Å; H139-S147 WeakPolarHBondContact ND1-CA 3.4Å; H139-S147 WeakPolarHBondContact ND1-CB 3.36Å; H139-S147 PolarHBondContact ND1-N 2.83Å; H139-S147 VanDerWaalsContact ND1-N 3.1Å |
| 140 | G | 88.8 | Confident | 83.5 | Confident | 37 Ų | 37 | 76 Ų | 76 | 38% | 0.381 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 101 | 167.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R142 C143 | G140-R142 PolarHBondContact O-N 3.4Å; G140-R142 VanDerWaalsContact O-N 3.11Å; G140-C143 PolarHBondContact O-N 3.48Å |
| 141 | E | 87.4 | Confident | 81.6 | Confident | 168 Ų | 168 | 82.1 Ų | 82.1 | 79% | 0.785 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.8 | -174.5 | -62.2 | -180 | 173.5 | 0 | 0 | 113.7 | C132 | C132-E141 PolarHBondContact SG-O 2.9Å; C132-E141 VanDerWaalsContact SG-O 3.41Å |
| 142 | R | 91.1 | Very high | 79.8 | Confident | 96 Ų | 96 | 83.1 Ų | 83.1 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 8 | 179.1 | -60.8 | -173.9 | 67.4 | -148.2 | -5.3 | 113.4 | D114 F115 I117 G140 H144 | D114-R142 PolarHBondContact O-NH2 3.35Å; F115-R142 HydrophobicContact CD1-CG 4.39Å; F115-R142 HydrophobicContact CD2-CG 4.2Å; F115-R142 HydrophobicContact CE1-CG 3.91Å; F115-R142 HydrophobicContact CE2-CG 3.7Å; F115-R142 HydrophobicContact CZ-CG 3.54Å; F115-R142 WeakPolarHBondContact O-CB 2.98Å; F115-R142 VanDerWaalsContact O-CZ 3.29Å; F115-R142 PolarHBondContact O-NE 2.95Å; F115-R142 PolarHBondContact O-NH2 3.49Å; F115-R142 VanDerWaalsContact O-NH2 3.07Å; I117-R142 PolarHBondContact N-O 3.16Å; G140-R142 PolarHBondContact O-N 3.4Å; G140-R142 VanDerWaalsContact O-N 3.11Å; R142-H144 VanDerWaalsContact C-N 3.28Å; R142-H144 PolarHBondContact O-N 3.3Å |
| 143 | C | 91.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 92.1 Ų | 92.1 | 0% | 0 | 49% | 0.485 | C | S | . | . | S | Bend | trans | 55.6 | 42.3 | -174.1 | -45.5 | 0 | 0 | 0 | 0 | 112.6 | H118 C132 C134 H139 G140 | H118-C143 HydrophobicContact CB-CB 4.31Å; H118-C143 PolarHBondContact ND1-O 2.98Å; H118-C143 VanDerWaalsContact O-CB 3.28Å; H118-C143 WeakPolarHBondContact O-CB 3.45Å; C132-C143 VanDerWaalsContact CB-SG 3.55Å; C134-C143 WeakPolarHBondContact CA-SG 2.98Å; C134-C143 HydrophobicContact CB-CB 3.69Å; C134-C143 WeakPolarHBondContact CB-SG 3.25Å; C134-C143 VanDerWaalsContact SG-CA 3.52Å; C134-C143 WeakPolarHBondContact SG-CB 3.37Å; C134-C143 CovalentContact SG-SG 2.03Å; C134-C143 PolarHBondContact SG-SG 3.3Å; H139-C143 CarbonylContact O-C 3.44Å; H139-C143 WeakPolarHBondContact O-CA 3.26Å; G140-C143 PolarHBondContact O-N 3.48Å |
| 144 | H | 90.3 | Very high | 75.9 | Confident | 125 Ų | 125 | 92.2 Ų | 92.2 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | trans | -85.2 | -28.8 | 179.5 | 64.8 | 70.2 | 0 | 0 | 0 | 112.3 | I117 H139 R142 | I117-H144 HydrophobicContact CD1-CB 3.92Å; H139-H144 PolarHBondContact O-N 2.91Å; R142-H144 VanDerWaalsContact C-N 3.28Å; R142-H144 PolarHBondContact O-N 3.3Å | ||
| 145 | G | 84.4 | Confident | 74 | Confident | 11 Ų | 11 | 97.8 Ų | 97.8 | 11% | 0.113 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y138 H139 S147 | Y138-G145 CarbonylContact C-O 3.56Å; Y138-G145 WeakPolarHBondContact CA-O 3.35Å; H139-G145 PolarHBondContact N-O 2.95Å; H139-G145 PolarHBondContact ND1-O 2.95Å; H139-G145 PolarHBondContact O-N 3.42Å; G145-S147 PolarHBondContact O-N 3.48Å |
| 146 | L | 81.4 | Confident | 72.4 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.5 | 163.4 | -171.4 | 73.2 | 0 | 0 | 0 | 106.8 | G137 Y138 L148 | G137-L146 CarbonylContact O-C 3.46Å; G137-L146 WeakPolarHBondContact O-CA 3.41Å; G137-L146 WeakPolarHBondContact O-CD1 3.21Å; Y138-L146 HydrophobicContact CD1-CD1 4.18Å; Y138-L146 HydrophobicContact CD2-CD1 4.25Å; Y138-L146 HydrophobicContact CE1-CD1 3.78Å; Y138-L146 HydrophobicContact CE2-CD1 3.86Å; Y138-L146 HydrophobicContact CG-CD1 4.42Å; L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CD2-CD2 4.4Å; L146-L148 PolarHBondContact O-N 3.22Å; L146-L148 VanDerWaalsContact O-N 3.07Å |
| 147 | S | 71.9 | Confident | 71.2 | Confident | 58 Ų | 58 | 97.5 Ų | 97.5 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | trans | -71.6 | 95.8 | 161 | -155.9 | 0 | 0 | 0 | 0 | 106 | G137 H139 G145 P149 | G137-S147 CarbonylContact C-O 3.51Å; G137-S147 WeakPolarHBondContact CA-O 3.21Å; G137-S147 CarbonylContact O-C 3.58Å; G137-S147 WeakPolarHBondContact O-CA 3.45Å; G137-S147 PolarHBondContact O-N 3.42Å; H139-S147 WeakPolarHBondContact ND1-CA 3.4Å; H139-S147 WeakPolarHBondContact ND1-CB 3.36Å; H139-S147 PolarHBondContact ND1-N 2.83Å; H139-S147 VanDerWaalsContact ND1-N 3.1Å; G145-S147 PolarHBondContact O-N 3.48Å; S147-P149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | L | 63.5 | Low | 70.5 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | trans | -46.2 | 126.3 | 168.1 | -73.4 | 159.5 | 0 | 0 | 0 | 106.9 | L146 V150 | L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CD2-CD2 4.4Å; L146-L148 PolarHBondContact O-N 3.22Å; L146-L148 VanDerWaalsContact O-N 3.07Å; L148-V150 PolarHBondContact O-N 2.94Å | ||
| 149 | P | 57.2 | Low | 69.9 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | trans | -63.6 | 100.9 | 174 | 26.9 | -31.1 | 0 | 0 | 0 | 105.3 | S147 E151 | S147-P149 VanDerWaalsContact O-N 3.13Å; P149-E151 HydrophobicContact CB-CB 4.43Å; P149-E151 PolarHBondContact O-N 3.5Å | ||
| 150 | V | 54.9 | Low | 69.5 | Low | 119 Ų | 119 | 98.6 Ų | 98.6 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | trans | -66.2 | 75.9 | 134.1 | -178 | 0 | 0 | 0 | 0 | 103 | L148 N152 | L148-V150 PolarHBondContact O-N 2.94Å; V150-N152 HydrophobicContact CG1-CB 4.25Å; V150-N152 PolarHBondContact O-N 3.16Å | ||
| 151 | E | 52.2 | Low | 69 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 72% | 0.724 | 49% | 0.493 | S | S | * | . | trans | -51.8 | 96 | 151.1 | 179.1 | 82.3 | 109.9 | 0 | 0 | 101.1 | P149 R153 | P149-E151 HydrophobicContact CB-CB 4.43Å; P149-E151 PolarHBondContact O-N 3.5Å; E151-R153 PolarHBondContact O-N 2.81Å | ||
| 152 | N | 51.4 | Low | 68.8 | Low | 74 Ų | 74 | 95.5 Ų | 95.5 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | trans | -72.6 | 84.5 | -176.5 | -146.9 | 10.8 | 0 | 0 | 0 | 101.3 | V150 L154 Y155 | V150-N152 HydrophobicContact CG1-CB 4.25Å; V150-N152 PolarHBondContact O-N 3.16Å; N152-L154 CarbonylContact O-C 3.44Å; N152-L154 PolarHBondContact O-N 3.31Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; N152-Y155 PolarHBondContact O-N 3.21Å | ||
| 153 | R | 50.8 | Low | 68.4 | Low | 207 Ų | 207 | 96.7 Ų | 96.7 | 78% | 0.781 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -50 | -24.6 | 166.9 | -99.6 | -162.2 | 172.8 | -172.1 | -0.2 | 109.1 | E151 Y157 | E151-R153 PolarHBondContact O-N 2.81Å; R153-Y157 WeakPolarHBondContact O-CB 3.39Å; R153-Y157 PolarHBondContact O-N 3.34Å |
| 154 | L | 52.5 | Low | 68 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.2 | -46.5 | 164.8 | -75.1 | 169.6 | 0 | 0 | 0 | 113.2 | N152 T156 Y157 D158 | N152-L154 CarbonylContact O-C 3.44Å; N152-L154 PolarHBondContact O-N 3.31Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; L154-T156 PolarHBondContact O-N 2.91Å; L154-Y157 CarbonylContact O-C 3.53Å; L154-Y157 PolarHBondContact O-N 3.35Å; L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.29Å; L154-D158 PolarHBondContact O-N 3.45Å |
| 155 | Y | 53 | Low | 67.8 | Low | 155 Ų | 155 | 97 Ų | 97 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | -175.4 | -155.3 | -106.2 | 0 | 0 | 0 | 113.1 | N152 H159 | N152-Y155 PolarHBondContact O-N 3.21Å; Y155-H159 AromaticContact CD1-CD2 3.97Å; Y155-H159 AromaticContact CD1-NE2 3.28Å; Y155-H159 VanDerWaalsContact CD1-NE2 3.28Å; Y155-H159 WeakPolarHBondContact CD1-NE2 3.42Å; Y155-H159 AromaticContact CE1-CE1 3.7Å; Y155-H159 AromaticContact CE1-NE2 2.98Å; Y155-H159 WeakPolarHBondContact CE1-NE2 3.18Å; Y155-H159 AromaticContact CZ-CE1 3.79Å; Y155-H159 AromaticContact CZ-NE2 3.55Å; Y155-H159 PolarHBondContact O-CD2 3.44Å; Y155-H159 PolarHBondContact O-N 3.03Å; Y155-H159 VanDerWaalsContact O-N 3.16Å |
| 156 | T | 57.3 | Low | 67.9 | Low | 98 Ų | 98 | 99.9 Ų | 99.9 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.2 | -37.7 | 174.6 | -51.9 | 0 | 0 | 0 | 0 | 112 | L154 D158 H159 T160 | L154-T156 PolarHBondContact O-N 2.91Å; T156-D158 VanDerWaalsContact C-N 3.35Å; T156-H159 PolarHBondContact O-N 3.26Å; T156-T160 PolarHBondContact O-N 3.03Å; T156-T160 PolarHBondContact O-OG1 3.26Å |
| 157 | Y | 59.7 | Low | 68.2 | Low | 115 Ų | 115 | 98.1 Ų | 98.1 | 45% | 0.451 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.1 | -179.3 | -100.9 | 0 | 0 | 0 | 111.6 | L26 R153 L154 H159 T160 T161 | L26-Y157 HydrophobicContact CD2-CE2 4.22Å; L26-Y157 WeakPolarHBondContact CD2-OH 3.36Å; R153-Y157 WeakPolarHBondContact O-CB 3.39Å; R153-Y157 PolarHBondContact O-N 3.34Å; L154-Y157 CarbonylContact O-C 3.53Å; L154-Y157 PolarHBondContact O-N 3.35Å; Y157-H159 PolarHBondContact O-N 3.41Å; Y157-T160 PolarHBondContact O-N 2.71Å; Y157-T160 PolarHBondContact O-OG1 3.43Å; Y157-T161 HydrophobicContact CD1-CG2 3.89Å; Y157-T161 HydrophobicContact CD2-CG2 4.21Å; Y157-T161 HydrophobicContact CE1-CG2 3.55Å; Y157-T161 HydrophobicContact CE2-CG2 3.88Å; Y157-T161 HydrophobicContact CG-CG2 4.21Å; Y157-T161 WeakPolarHBondContact O-CB 3.5Å; Y157-T161 VanDerWaalsContact O-CG2 3.26Å; Y157-T161 WeakPolarHBondContact O-CG2 3.25Å; Y157-T161 PolarHBondContact O-N 2.94Å; Y157-T161 PolarHBondContact O-OG1 2.93Å |
| 158 | D | 66.8 | Low | 68.8 | Low | 60 Ų | 60 | 99.4 Ų | 99.4 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -44 | 177.9 | -69.6 | -26.5 | 0 | 0 | 0 | 108.8 | L154 T156 T160 T161 I162 | L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.29Å; L154-D158 PolarHBondContact O-N 3.45Å; T156-D158 VanDerWaalsContact C-N 3.35Å; D158-T160 PolarHBondContact O-N 3.28Å; D158-T161 VanDerWaalsContact CA-OG1 3.28Å; D158-T161 WeakPolarHBondContact CA-OG1 3.35Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact O-OG1 3.06Å; D158-I162 HydrophobicContact CB-CD1 4.19Å; D158-I162 WeakPolarHBondContact O-CA 3.43Å; D158-I162 WeakPolarHBondContact O-CB 3.11Å; D158-I162 WeakPolarHBondContact O-CD1 3.25Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.27Å |
| 159 | H | 75.6 | Confident | 69.8 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 38% | 0.384 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.1 | -64.8 | -43 | 0 | 0 | 0 | 113 | Y155 T156 Y157 L163 | Y155-H159 AromaticContact CD1-CD2 3.97Å; Y155-H159 AromaticContact CD1-NE2 3.28Å; Y155-H159 VanDerWaalsContact CD1-NE2 3.28Å; Y155-H159 WeakPolarHBondContact CD1-NE2 3.42Å; Y155-H159 AromaticContact CE1-CE1 3.7Å; Y155-H159 AromaticContact CE1-NE2 2.98Å; Y155-H159 WeakPolarHBondContact CE1-NE2 3.18Å; Y155-H159 AromaticContact CZ-CE1 3.79Å; Y155-H159 AromaticContact CZ-NE2 3.55Å; Y155-H159 PolarHBondContact O-CD2 3.44Å; Y155-H159 PolarHBondContact O-N 3.03Å; Y155-H159 VanDerWaalsContact O-N 3.16Å; T156-H159 PolarHBondContact O-N 3.26Å; Y157-H159 PolarHBondContact O-N 3.41Å; H159-L163 VanDerWaalsContact O-CB 3.3Å; H159-L163 WeakPolarHBondContact O-CB 3.28Å; H159-L163 WeakPolarHBondContact O-CD1 3.31Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.43Å |
| 160 | T | 77.5 | Confident | 71.4 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | T156 Y157 D158 A164 | T156-T160 PolarHBondContact O-N 3.03Å; T156-T160 PolarHBondContact O-OG1 3.26Å; Y157-T160 PolarHBondContact O-N 2.71Å; Y157-T160 PolarHBondContact O-OG1 3.43Å; D158-T160 PolarHBondContact O-N 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.28Å; T160-A164 PolarHBondContact O-N 3.47Å |
| 161 | T | 78.9 | Confident | 73.1 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 25% | 0.252 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.8 | -41.5 | 178.5 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | Y157 D158 L163 A164 V165 | Y157-T161 HydrophobicContact CD1-CG2 3.89Å; Y157-T161 HydrophobicContact CD2-CG2 4.21Å; Y157-T161 HydrophobicContact CE1-CG2 3.55Å; Y157-T161 HydrophobicContact CE2-CG2 3.88Å; Y157-T161 HydrophobicContact CG-CG2 4.21Å; Y157-T161 WeakPolarHBondContact O-CB 3.5Å; Y157-T161 VanDerWaalsContact O-CG2 3.26Å; Y157-T161 WeakPolarHBondContact O-CG2 3.25Å; Y157-T161 PolarHBondContact O-N 2.94Å; Y157-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact CA-OG1 3.28Å; D158-T161 WeakPolarHBondContact CA-OG1 3.35Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact O-OG1 3.06Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.96Å; T161-A164 PolarHBondContact O-N 2.81Å; T161-V165 WeakPolarHBondContact O-CB 3.27Å; T161-V165 VanDerWaalsContact O-CG2 3.26Å; T161-V165 WeakPolarHBondContact O-CG2 3.46Å; T161-V165 PolarHBondContact O-N 3.31Å |
| 162 | I | 81.6 | Confident | 74.6 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 172.4 | -68.8 | 163.1 | 0 | 0 | 0 | 109.5 | D158 A164 V165 V166 | D158-I162 HydrophobicContact CB-CD1 4.19Å; D158-I162 WeakPolarHBondContact O-CA 3.43Å; D158-I162 WeakPolarHBondContact O-CB 3.11Å; D158-I162 WeakPolarHBondContact O-CD1 3.25Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.27Å; I162-A164 PolarHBondContact O-N 3.32Å; I162-V165 PolarHBondContact O-N 2.83Å; I162-V166 HydrophobicContact CG2-CG2 4.43Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.38Å |
| 163 | L | 84.6 | Confident | 76.2 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 176.9 | -73 | 170 | 0 | 0 | 0 | 112.2 | H159 T161 A167 | H159-L163 VanDerWaalsContact O-CB 3.3Å; H159-L163 WeakPolarHBondContact O-CB 3.28Å; H159-L163 WeakPolarHBondContact O-CD1 3.31Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.43Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.96Å; L163-A167 WeakPolarHBondContact O-CB 3.22Å; L163-A167 PolarHBondContact O-N 2.83Å |
| 164 | A | 82.8 | Confident | 78 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T160 T161 I162 A167 V168 | T160-A164 WeakPolarHBondContact O-CB 3.28Å; T160-A164 PolarHBondContact O-N 3.47Å; T161-A164 PolarHBondContact O-N 2.81Å; I162-A164 PolarHBondContact O-N 3.32Å; A164-A167 PolarHBondContact O-N 3.34Å; A164-V168 WeakPolarHBondContact O-CG2 3.41Å; A164-V168 PolarHBondContact O-N 2.81Å |
| 165 | V | 84.8 | Confident | 79.6 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | T161 I162 A167 V168 V169 | T161-V165 WeakPolarHBondContact O-CB 3.27Å; T161-V165 VanDerWaalsContact O-CG2 3.26Å; T161-V165 WeakPolarHBondContact O-CG2 3.46Å; T161-V165 PolarHBondContact O-N 3.31Å; I162-V165 PolarHBondContact O-N 2.83Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.45Å; V165-V168 PolarHBondContact O-N 2.87Å; V165-V169 HydrophobicContact CG1-CG2 4.38Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.4Å; V165-V169 PolarHBondContact O-N 3.09Å |
| 166 | V | 87.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | I162 V168 V169 L170 | I162-V166 HydrophobicContact CG2-CG2 4.43Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.38Å; V166-V168 PolarHBondContact O-N 2.85Å; V166-V169 PolarHBondContact O-N 3.49Å; V166-L170 HydrophobicContact CG1-CD1 3.71Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CB 3.13Å; V166-L170 VanDerWaalsContact O-CG 3.25Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 3.25Å |
| 167 | A | 86.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L163 A164 V165 S171 | L163-A167 WeakPolarHBondContact O-CB 3.22Å; L163-A167 PolarHBondContact O-N 2.83Å; A164-A167 PolarHBondContact O-N 3.34Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.45Å; A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 2.86Å |
| 168 | V | 86.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 111 | A164 V165 V166 S171 S172 | A164-V168 WeakPolarHBondContact O-CG2 3.41Å; A164-V168 PolarHBondContact O-N 2.81Å; V165-V168 PolarHBondContact O-N 2.87Å; V166-V168 PolarHBondContact O-N 2.85Å; V168-S171 PolarHBondContact O-N 3.3Å; V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 2.85Å; V168-S172 PolarHBondContact O-OG 3.48Å |
| 169 | V | 84.5 | Confident | 84.7 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | V165 V166 S171 S172 V173 | V165-V169 HydrophobicContact CG1-CG2 4.38Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.4Å; V165-V169 PolarHBondContact O-N 3.09Å; V166-V169 PolarHBondContact O-N 3.49Å; V169-S171 PolarHBondContact O-N 2.91Å; V169-S172 PolarHBondContact O-N 3.34Å; V169-S172 PolarHBondContact O-OG 3.24Å; V169-V173 WeakPolarHBondContact O-CG2 3.42Å; V169-V173 PolarHBondContact O-N 3.11Å |
| 170 | L | 89.4 | Confident | 85.1 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 179.4 | -70.1 | 177.4 | 0 | 0 | 0 | 112.3 | V166 V173 C174 | V166-L170 HydrophobicContact CG1-CD1 3.71Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CB 3.13Å; V166-L170 VanDerWaalsContact O-CG 3.25Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 3.25Å; L170-V173 PolarHBondContact O-N 2.76Å; L170-C174 WeakPolarHBondContact O-CB 3.34Å; L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 2.9Å |
| 171 | S | 90.4 | Very high | 85.6 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.4 | -177 | 0 | 0 | 0 | 0 | 111.2 | A167 V168 V169 V173 C174 L175 | A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 2.86Å; V168-S171 PolarHBondContact O-N 3.3Å; V169-S171 PolarHBondContact O-N 2.91Å; S171-V173 PolarHBondContact O-N 3.31Å; S171-C174 PolarHBondContact O-N 2.75Å; S171-L175 WeakPolarHBondContact O-CG 3.29Å; S171-L175 PolarHBondContact O-N 3.49Å |
| 172 | S | 84.7 | Confident | 86 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 36% | 0.357 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 178.8 | 75.5 | 0 | 0 | 0 | 0 | 112.5 | V168 V169 L175 L176 | V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 2.85Å; V168-S172 PolarHBondContact O-OG 3.48Å; V169-S172 PolarHBondContact O-N 3.34Å; V169-S172 PolarHBondContact O-OG 3.24Å; S172-L175 PolarHBondContact O-N 2.8Å; S172-L176 WeakPolarHBondContact O-CG 3.42Å; S172-L176 PolarHBondContact O-N 2.78Å; S172-L176 VanDerWaalsContact O-N 3.09Å |
| 173 | V | 85.1 | Confident | 86 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | V169 L170 S171 L175 L176 V177 | V169-V173 WeakPolarHBondContact O-CG2 3.42Å; V169-V173 PolarHBondContact O-N 3.11Å; L170-V173 PolarHBondContact O-N 2.76Å; S171-V173 PolarHBondContact O-N 3.31Å; V173-L175 PolarHBondContact O-N 3.35Å; V173-L176 PolarHBondContact O-N 2.91Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.87Å |
| 174 | C | 87.9 | Confident | 86 | Confident | 70 Ų | 70 | 81 Ų | 81 | 47% | 0.473 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177.5 | -71 | 0 | 0 | 0 | 0 | 111.8 | L170 S171 L176 V177 I178 | L170-C174 WeakPolarHBondContact O-CB 3.34Å; L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 2.9Å; S171-C174 PolarHBondContact O-N 2.75Å; C174-L176 PolarHBondContact O-N 3.33Å; C174-V177 PolarHBondContact O-N 2.84Å; C174-I178 WeakPolarHBondContact O-CD1 3.19Å; C174-I178 VanDerWaalsContact O-CG1 3.25Å; C174-I178 WeakPolarHBondContact O-CG1 3.31Å; C174-I178 PolarHBondContact O-N 3.5Å |
| 175 | L | 85.6 | Confident | 86 | Confident | 100 Ų | 100 | 86 Ų | 86 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.4 | -70.3 | 176.7 | 0 | 0 | 0 | 112 | S171 S172 V173 V177 I178 V179 | S171-L175 WeakPolarHBondContact O-CG 3.29Å; S171-L175 PolarHBondContact O-N 3.49Å; S172-L175 PolarHBondContact O-N 2.8Å; V173-L175 PolarHBondContact O-N 3.35Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 3.46Å; L175-I178 PolarHBondContact O-N 3.25Å; L175-V179 WeakPolarHBondContact O-CB 3.3Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.13Å; L175-V179 PolarHBondContact O-N 2.86Å |
| 176 | L | 84.3 | Confident | 85.8 | Confident | 93 Ų | 93 | 90.6 Ų | 90.6 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.7 | -67.3 | 177.1 | 0 | 0 | 0 | 112.2 | L9 S172 V173 C174 G180 | L9-L176 HydrophobicContact CD1-CD1 4.11Å; L9-L176 HydrophobicContact CD1-CD2 3.58Å; L9-L176 HydrophobicContact CD1-CG 4.5Å; S172-L176 WeakPolarHBondContact O-CG 3.42Å; S172-L176 PolarHBondContact O-N 2.78Å; S172-L176 VanDerWaalsContact O-N 3.09Å; V173-L176 PolarHBondContact O-N 2.91Å; C174-L176 PolarHBondContact O-N 3.33Å; L176-G180 PolarHBondContact O-N 2.83Å |
| 177 | V | 86.2 | Confident | 85.2 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.8 | 174 | 0 | 0 | 0 | 0 | 110.6 | V173 C174 L175 G180 L181 | V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.87Å; C174-V177 PolarHBondContact O-N 2.84Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 3.46Å; V177-G180 PolarHBondContact O-N 2.86Å; V177-L181 HydrophobicContact CG1-CD1 3.99Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 2.88Å |
| 178 | I | 88.8 | Confident | 84.5 | Confident | 88 Ų | 88 | 99.2 Ų | 99.2 | 45% | 0.451 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 179.3 | -66.5 | 162.9 | 0 | 0 | 0 | 110.7 | C174 L175 G180 L181 L182 | C174-I178 WeakPolarHBondContact O-CD1 3.19Å; C174-I178 VanDerWaalsContact O-CG1 3.25Å; C174-I178 WeakPolarHBondContact O-CG1 3.31Å; C174-I178 PolarHBondContact O-N 3.5Å; L175-I178 PolarHBondContact O-N 3.25Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 2.81Å; I178-L181 PolarHBondContact O-N 2.86Å; I178-L182 HydrophobicContact CG2-CD1 3.95Å; I178-L182 HydrophobicContact CG2-CG 4.31Å; I178-L182 WeakPolarHBondContact O-CB 3.25Å; I178-L182 VanDerWaalsContact O-CG 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 2.74Å |
| 179 | V | 85 | Confident | 83.5 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L175 L181 L182 M183 | L175-V179 WeakPolarHBondContact O-CB 3.3Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.13Å; L175-V179 PolarHBondContact O-N 2.86Å; V179-L181 PolarHBondContact O-N 3.32Å; V179-L182 PolarHBondContact O-N 3.44Å; V179-M183 HydrophobicContact CG1-CG 4.27Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.19Å; V179-M183 WeakPolarHBondContact O-CG 3.42Å; V179-M183 PolarHBondContact O-N 3.46Å |
| 180 | G | 84.7 | Confident | 82.4 | Confident | 39 Ų | 39 | 102.2 Ų | 102.2 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L176 V177 I178 F184 | L176-G180 PolarHBondContact O-N 2.83Å; V177-G180 PolarHBondContact O-N 2.86Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 2.81Å; G180-F184 WeakPolarHBondContact O-CB 3.25Å; G180-F184 PolarHBondContact O-N 3.47Å |
| 181 | L | 87.8 | Confident | 81 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.5 | -71.9 | 174.3 | 0 | 0 | 0 | 111.9 | V177 I178 V179 F184 R185 | V177-L181 HydrophobicContact CG1-CD1 3.99Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 2.88Å; I178-L181 PolarHBondContact O-N 2.86Å; V179-L181 PolarHBondContact O-N 3.32Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-R185 VanDerWaalsContact O-CB 3.3Å; L181-R185 WeakPolarHBondContact O-CB 3.16Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.5Å |
| 182 | L | 86.8 | Confident | 79.3 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -45 | 177.2 | -70.9 | 176.1 | 0 | 0 | 0 | 111.3 | I178 V179 R185 Y186 | I178-L182 HydrophobicContact CG2-CD1 3.95Å; I178-L182 HydrophobicContact CG2-CG 4.31Å; I178-L182 WeakPolarHBondContact O-CB 3.25Å; I178-L182 VanDerWaalsContact O-CG 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 2.74Å; V179-L182 PolarHBondContact O-N 3.44Å; L182-R185 PolarHBondContact O-N 2.76Å; L182-Y186 VanDerWaalsContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 PolarHBondContact O-N 2.74Å |
| 183 | M | 82 | Confident | 78 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 174.2 | -76 | -68.6 | 101.2 | 0 | 0 | 112 | V179 Y186 H187 | V179-M183 HydrophobicContact CG1-CG 4.27Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.19Å; V179-M183 WeakPolarHBondContact O-CG 3.42Å; V179-M183 PolarHBondContact O-N 3.46Å; M183-Y186 PolarHBondContact O-N 2.68Å; M183-H187 VanDerWaalsContact O-CB 3.29Å; M183-H187 WeakPolarHBondContact O-CB 3.2Å; M183-H187 PolarHBondContact O-N 2.91Å |
| 184 | F | 84.3 | Confident | 76.9 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 47% | 0.474 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.8 | -177.8 | -101.4 | 0 | 0 | 0 | 111.9 | G180 L181 H187 R188 | G180-F184 WeakPolarHBondContact O-CB 3.25Å; G180-F184 PolarHBondContact O-N 3.47Å; L181-F184 PolarHBondContact O-N 2.95Å; F184-H187 PolarHBondContact O-N 3.09Å; F184-R188 HydrophobicContact CE1-CG 4.35Å; F184-R188 HydrophobicContact CZ-CG 4.29Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 3.4Å |
| 185 | R | 83.8 | Confident | 75.6 | Confident | 157 Ų | 157 | 108.7 Ų | 108.7 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -38.4 | 175.1 | -70.3 | -75.2 | 167.4 | 90.2 | 0.3 | 111.5 | L181 L182 R189 | L181-R185 VanDerWaalsContact O-CB 3.3Å; L181-R185 WeakPolarHBondContact O-CB 3.16Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.5Å; L182-R185 PolarHBondContact O-N 2.76Å; R185-R189 WeakPolarHBondContact O-CB 3.15Å; R185-R189 PolarHBondContact O-N 3.41Å |
| 186 | Y | 79.7 | Confident | 74.4 | Confident | 175 Ų | 175 | 108.8 Ų | 108.8 | 69% | 0.686 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.9 | -42.1 | 176.5 | -161.4 | -92.8 | 0 | 0 | 0 | 111.4 | L182 M183 R189 G190 | L182-Y186 VanDerWaalsContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 PolarHBondContact O-N 2.74Å; M183-Y186 PolarHBondContact O-N 2.68Å; Y186-R189 PolarHBondContact O-N 3.32Å; Y186-G190 PolarHBondContact O-N 3.13Å |
| 187 | H | 75.2 | Confident | 73.4 | Confident | 146 Ų | 146 | 109.3 Ų | 109.3 | 68% | 0.676 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -35.9 | 176.2 | -166 | -63.3 | 0 | 0 | 0 | 112 | M183 F184 G191 | M183-H187 VanDerWaalsContact O-CB 3.29Å; M183-H187 WeakPolarHBondContact O-CB 3.2Å; M183-H187 PolarHBondContact O-N 2.91Å; F184-H187 PolarHBondContact O-N 3.09Å; H187-G191 PolarHBondContact O-N 3.05Å |
| 188 | R | 71.8 | Confident | 72.3 | Confident | 165 Ų | 165 | 111.1 Ų | 111.1 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.5 | -36.4 | 172.2 | -83.6 | -161 | 168.4 | -165.3 | -0.8 | 112.7 | F184 Y192 | F184-R188 HydrophobicContact CE1-CG 4.35Å; F184-R188 HydrophobicContact CZ-CG 4.29Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 3.4Å; R188-Y192 WeakPolarHBondContact O-CD2 3.37Å |
| 189 | R | 66.5 | Low | 70.8 | Confident | 195 Ų | 195 | 113 Ų | 113 | 74% | 0.736 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.4 | -42.5 | 176.2 | -84.3 | 179.6 | 175.4 | 162.8 | -3 | 112.8 | R185 Y186 G191 Y192 D193 | R185-R189 WeakPolarHBondContact O-CB 3.15Å; R185-R189 PolarHBondContact O-N 3.41Å; Y186-R189 PolarHBondContact O-N 3.32Å; R189-G191 VanDerWaalsContact C-N 3.27Å; R189-G191 PolarHBondContact O-N 2.97Å; R189-Y192 PolarHBondContact O-N 3.29Å; R189-D193 PolarHBondContact O-N 2.86Å |
| 190 | G | 60.2 | Low | 69.7 | Low | 31 Ų | 31 | 112.7 Ų | 112.7 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y186 V194 | Y186-G190 PolarHBondContact O-N 3.13Å; G190-V194 WeakPolarHBondContact O-CB 3.46Å; G190-V194 VanDerWaalsContact O-CG2 3.26Å; G190-V194 WeakPolarHBondContact O-CG2 3.26Å; G190-V194 PolarHBondContact O-N 3.17Å |
| 191 | G | 59.7 | Low | 68.6 | Low | 40 Ų | 40 | 117.6 Ų | 117.6 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -36.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H187 R189 E195 | H187-G191 PolarHBondContact O-N 3.05Å; R189-G191 VanDerWaalsContact C-N 3.27Å; R189-G191 PolarHBondContact O-N 2.97Å; G191-E195 WeakPolarHBondContact O-CB 3.37Å; G191-E195 PolarHBondContact O-N 3.26Å; G191-E195 VanDerWaalsContact O-N 3.13Å |
| 192 | Y | 55.4 | Low | 67.4 | Low | 183 Ų | 183 | 119 Ų | 119 | 72% | 0.718 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.2 | -35.1 | 177.2 | -85.8 | -108.4 | 0 | 0 | 0 | 112.6 | R188 R189 N196 | R188-Y192 WeakPolarHBondContact O-CD2 3.37Å; R189-Y192 PolarHBondContact O-N 3.29Å; Y192-N196 WeakPolarHBondContact O-CB 3.4Å; Y192-N196 PolarHBondContact O-N 2.84Å |
| 193 | D | 57.3 | Low | 66 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.6 | -47.4 | 179.5 | -151.5 | -110.6 | 0 | 0 | 0 | 110.7 | R189 N196 E197 | R189-D193 PolarHBondContact O-N 2.86Å; D193-N196 PolarHBondContact O-N 2.96Å; D193-E197 WeakPolarHBondContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CG 3.47Å; D193-E197 PolarHBondContact O-N 2.93Å |
| 194 | V | 61.3 | Low | 64.9 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -44.9 | 174 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | G190 N196 E197 E198 | G190-V194 WeakPolarHBondContact O-CB 3.46Å; G190-V194 VanDerWaalsContact O-CG2 3.26Å; G190-V194 WeakPolarHBondContact O-CG2 3.26Å; G190-V194 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact C-N 3.31Å; V194-N196 PolarHBondContact O-N 3.39Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-E198 HydrophobicContact CG1-CG 4.37Å; V194-E198 WeakPolarHBondContact O-CB 3.21Å; V194-E198 WeakPolarHBondContact O-CG 3.32Å; V194-E198 PolarHBondContact O-N 3.27Å |
| 195 | E | 61.8 | Low | 63.7 | Low | 103 Ų | 103 | 118 Ų | 118 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.2 | -31.6 | -179.9 | -166.1 | 176.8 | 106.7 | 0 | 0 | 112.1 | G191 K199 | G191-E195 WeakPolarHBondContact O-CB 3.37Å; G191-E195 PolarHBondContact O-N 3.26Å; G191-E195 VanDerWaalsContact O-N 3.13Å; E195-K199 HydrophobicContact CG-CD 4.19Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CD 3.34Å; E195-K199 WeakPolarHBondContact O-CG 3.12Å; E195-K199 PolarHBondContact O-N 3.44Å; E195-K199 IonicContact OE1-NZ 2.68Å; E195-K199 PolarHBondContact OE1-NZ 2.82Å |
| 196 | N | 59.9 | Low | 62.6 | Low | 102 Ų | 102 | 117.1 Ų | 117.1 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.8 | -40.7 | 172.8 | -168.3 | 55.4 | 0 | 0 | 0 | 111.6 | Y192 D193 V194 K199 V200 | Y192-N196 WeakPolarHBondContact O-CB 3.4Å; Y192-N196 PolarHBondContact O-N 2.84Å; D193-N196 PolarHBondContact O-N 2.96Å; V194-N196 VanDerWaalsContact C-N 3.31Å; V194-N196 PolarHBondContact O-N 3.39Å; N196-K199 PolarHBondContact O-N 3.02Å; N196-V200 WeakPolarHBondContact O-CB 3.43Å; N196-V200 WeakPolarHBondContact O-CG2 3.41Å; N196-V200 PolarHBondContact O-N 2.82Å |
| 197 | E | 62.9 | Low | 61.7 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.9 | -39.6 | 173.5 | -75.5 | -165.4 | 120.3 | 0 | 0 | 112.2 | D193 V194 K201 | D193-E197 WeakPolarHBondContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CG 3.47Å; D193-E197 PolarHBondContact O-N 2.93Å; V194-E197 PolarHBondContact O-N 3.33Å; E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 3.49Å |
| 198 | E | 62.7 | Low | 60.5 | Low | 120 Ų | 120 | 118.6 Ų | 118.6 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69 | -42.4 | 175.4 | -72.3 | -173 | 140.2 | 0 | 0 | 111.9 | V194 K201 L202 | V194-E198 HydrophobicContact CG1-CG 4.37Å; V194-E198 WeakPolarHBondContact O-CB 3.21Å; V194-E198 WeakPolarHBondContact O-CG 3.32Å; V194-E198 PolarHBondContact O-N 3.27Å; E198-K201 PolarHBondContact O-N 3.37Å; E198-L202 PolarHBondContact O-N 3.42Å; E198-L202 VanDerWaalsContact O-N 3.12Å |
| 199 | K | 59.2 | Low | 60 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 55% | 0.548 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66 | -36.4 | 176.4 | -77.8 | 170.8 | 177 | 166 | 0 | 113 | E195 N196 G203 | E195-K199 HydrophobicContact CG-CD 4.19Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CD 3.34Å; E195-K199 WeakPolarHBondContact O-CG 3.12Å; E195-K199 PolarHBondContact O-N 3.44Å; E195-K199 IonicContact OE1-NZ 2.68Å; E195-K199 PolarHBondContact OE1-NZ 2.82Å; N196-K199 PolarHBondContact O-N 3.02Å; K199-G203 PolarHBondContact O-N 2.92Å; K199-G203 VanDerWaalsContact O-N 3.09Å |
| 200 | V | 61.3 | Low | 59.6 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 47% | 0.473 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -39.7 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | N196 G203 M204 | N196-V200 WeakPolarHBondContact O-CB 3.43Å; N196-V200 WeakPolarHBondContact O-CG2 3.41Å; N196-V200 PolarHBondContact O-N 2.82Å; V200-G203 PolarHBondContact O-N 3.12Å; V200-M204 HydrophobicContact CG1-SD 4.38Å; V200-M204 PolarHBondContact O-N 3.35Å |
| 201 | K | 62.3 | Low | 59.6 | Low | 142 Ų | 142 | 116.6 Ų | 116.6 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.4 | -39 | 177.2 | -76.7 | 173 | -179.2 | 166.8 | 0 | 113 | E197 E198 M204 | E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 3.49Å; E198-K201 PolarHBondContact O-N 3.37Å; K201-M204 PolarHBondContact O-N 3.2Å |
| 202 | L | 60.8 | Low | 59.6 | Low | 123 Ų | 123 | 121.1 Ų | 121.1 | 64% | 0.644 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -26.6 | 177.1 | -81.7 | 153.4 | 0 | 0 | 0 | 113.6 | E198 T205 | E198-L202 PolarHBondContact O-N 3.42Å; E198-L202 VanDerWaalsContact O-N 3.12Å; L202-T205 PolarHBondContact O-OG1 3.46Å |
| 203 | G | 58.8 | Low | 59.8 | Low | 48 Ų | 48 | 117.3 Ų | 117.3 | 50% | 0.495 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.7 | -30.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K199 V200 | K199-G203 PolarHBondContact O-N 2.92Å; K199-G203 VanDerWaalsContact O-N 3.09Å; V200-G203 PolarHBondContact O-N 3.12Å |
| 204 | M | 58.8 | Low | 60 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.7 | -25.1 | -179.6 | -77.9 | 168.1 | 58.3 | 0 | 0 | 114 | V200 K201 | V200-M204 HydrophobicContact CG1-SD 4.38Å; V200-M204 PolarHBondContact O-N 3.35Å; K201-M204 PolarHBondContact O-N 3.2Å |
| 205 | T | 58.5 | Low | 59.9 | Low | 113 Ų | 113 | 121.4 Ų | 121.4 | 69% | 0.693 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -91.2 | -6.7 | -175.5 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | L202 | L202-T205 PolarHBondContact O-OG1 3.46Š|
| 206 | N | 61.7 | Low | 59.8 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -102.4 | 19.9 | -176.7 | -153.7 | 3.6 | 0 | 0 | 0 | 113.4 | ||
| 207 | S | 60.1 | Low | 59.8 | Low | 98 Ų | 98 | 124.5 Ų | 124.5 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | trans | -124.7 | 58 | -176.9 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 208 | H | 50.2 | Low | 59.5 | Low | 253 Ų | 253 | 126.3 Ų | 126.3 | 100% | 1.171 | 67% | 0.67 | S | S | * | * | trans | -166.2 | 0 | 164.6 | -155.8 | -71.9 | 0 | 0 | 0 | 110.4 |
Retrieved 208 of 208 residues in 33.4 ms
(Link to these results)