| 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 | 56.8 | Low | 69.5 | Low | 230 Ų | 230 | 121.4 Ų | 121.4 | 100% | 1.133 | 64% | 0.636 | S | S | * | * | 0 | 44 | 0 | -64.7 | 154.3 | 74.1 | 0 | 0 | 111.1 | |||||
| 2 | S | 60.9 | Low | 70.5 | Confident | 93 Ų | 93 | 118.4 Ų | 118.4 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | trans | -111.7 | -24.7 | -174.3 | 39.7 | 0 | 0 | 0 | 0 | 113.5 | Q6 | S2-Q6 PolarHBondContact O-N 2.99Š| ||
| 3 | G | 63 | Low | 71.2 | Confident | 39 Ų | 39 | 118.2 Ų | 118.2 | 40% | 0.402 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.6 | -50.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q5 Q6 W7 | G3-Q5 VanDerWaalsContact C-N 3.34Å; G3-Q5 PolarHBondContact O-N 3.09Å; G3-Q6 PolarHBondContact O-N 3.29Å; G3-W7 PolarHBondContact O-N 2.95Å; G3-W7 VanDerWaalsContact O-N 3.15Å |
| 4 | Q | 63.9 | Low | 71.7 | Confident | 166 Ų | 166 | 113.4 Ų | 113.4 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.6 | -35.5 | -173.2 | -146.4 | -168.5 | -9.3 | 0 | 0 | 113.4 | T8 | Q4-T8 WeakPolarHBondContact O-CG2 3.19Å; Q4-T8 PolarHBondContact O-N 2.95Å; Q4-T8 VanDerWaalsContact O-N 3.13Å; Q4-T8 PolarHBondContact O-OG1 2.76Å |
| 5 | Q | 63.9 | Low | 71.9 | Confident | 133 Ų | 133 | 113.7 Ų | 113.7 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.5 | -34.2 | 173.5 | -88.2 | -115.1 | -38.4 | 0 | 0 | 113 | G3 T8 L9 | G3-Q5 VanDerWaalsContact C-N 3.34Å; G3-Q5 PolarHBondContact O-N 3.09Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.34Å; Q5-T8 PolarHBondContact O-OG1 3.08Å; Q5-L9 WeakPolarHBondContact O-CB 2.99Å; Q5-L9 WeakPolarHBondContact O-CD1 3Å; Q5-L9 PolarHBondContact O-N 2.89Å |
| 6 | Q | 69.1 | Low | 72 | Confident | 129 Ų | 129 | 112.4 Ų | 112.4 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.3 | -37.1 | -179.8 | -160.1 | 171.7 | -37 | 0 | 0 | 111.6 | S2 G3 L10 | S2-Q6 PolarHBondContact O-N 2.99Å; G3-Q6 PolarHBondContact O-N 3.29Å; Q6-L10 WeakPolarHBondContact O-CB 3.48Å; Q6-L10 WeakPolarHBondContact O-CG 3.42Å; Q6-L10 PolarHBondContact O-N 2.87Å |
| 7 | W | 74 | Confident | 71.9 | Confident | 200 Ų | 200 | 111.1 Ų | 111.1 | 76% | 0.758 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.8 | -39.1 | 173.2 | -72.5 | 101.1 | 0 | 0 | 0 | 112.6 | G3 L10 A11 | G3-W7 PolarHBondContact O-N 2.95Å; G3-W7 VanDerWaalsContact O-N 3.15Å; W7-L10 PolarHBondContact O-N 2Å; W7-A11 WeakPolarHBondContact O-CB 3.41Å; W7-A11 PolarHBondContact O-N 3.32Å |
| 8 | T | 76.4 | Confident | 71.5 | Confident | 74 Ų | 74 | 111.2 Ų | 111.2 | 45% | 0.454 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -39.6 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | Q4 Q5 A11 V12 | Q4-T8 WeakPolarHBondContact O-CG2 3.19Å; Q4-T8 PolarHBondContact O-N 2.95Å; Q4-T8 VanDerWaalsContact O-N 3.13Å; Q4-T8 PolarHBondContact O-OG1 2.76Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.34Å; Q5-T8 PolarHBondContact O-OG1 3.08Å; T8-A11 PolarHBondContact O-N 3.3Å; T8-V12 WeakPolarHBondContact O-CB 3.33Å; T8-V12 VanDerWaalsContact O-CG2 3.26Å; T8-V12 WeakPolarHBondContact O-CG2 3.46Å; T8-V12 PolarHBondContact O-N 2.83Å |
| 9 | L | 76.7 | Confident | 71 | Confident | 105 Ų | 105 | 109.7 Ų | 109.7 | 55% | 0.55 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.8 | -43.7 | 174 | -87.3 | 157.4 | 0 | 0 | 0 | 112.2 | Q5 V12 M13 | Q5-L9 WeakPolarHBondContact O-CB 2.99Å; Q5-L9 WeakPolarHBondContact O-CD1 3Å; Q5-L9 PolarHBondContact O-N 2.89Å; L9-V12 PolarHBondContact O-N 2.8Å; L9-M13 WeakPolarHBondContact O-CB 3.45Å; L9-M13 VanDerWaalsContact O-CG 3.27Å; L9-M13 WeakPolarHBondContact O-CG 3.47Å; L9-M13 PolarHBondContact O-N 3.14Å |
| 10 | L | 79.4 | Confident | 70.4 | Confident | 108 Ų | 108 | 109.6 Ų | 109.6 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 176.4 | -76.7 | 167.8 | 0 | 0 | 0 | 112.3 | Q6 W7 M13 A14 | Q6-L10 WeakPolarHBondContact O-CB 3.48Å; Q6-L10 WeakPolarHBondContact O-CG 3.42Å; Q6-L10 PolarHBondContact O-N 2.87Å; W7-L10 PolarHBondContact O-N 2Å; L10-M13 PolarHBondContact O-N 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.76Å |
| 11 | A | 80.1 | Confident | 69.8 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.9 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W7 T8 A14 L15 | W7-A11 WeakPolarHBondContact O-CB 3.41Å; W7-A11 PolarHBondContact O-N 3.32Å; T8-A11 PolarHBondContact O-N 3.3Å; A11-A14 PolarHBondContact O-N 2.77Å; A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 PolarHBondContact O-N 2.93Å |
| 12 | V | 81.4 | Confident | 69.6 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -41.6 | 177.2 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | T8 L9 L15 L16 | T8-V12 WeakPolarHBondContact O-CB 3.33Å; T8-V12 VanDerWaalsContact O-CG2 3.26Å; T8-V12 WeakPolarHBondContact O-CG2 3.46Å; T8-V12 PolarHBondContact O-N 2.83Å; L9-V12 PolarHBondContact O-N 2.8Å; V12-L15 PolarHBondContact O-N 2.84Å; V12-L16 HydrophobicContact CG1-CD1 3.9Å; V12-L16 WeakPolarHBondContact O-CB 3.15Å; V12-L16 PolarHBondContact O-N 3.18Å |
| 13 | M | 79.9 | Confident | 69.1 | Low | 115 Ų | 115 | 100 Ų | 100 | 57% | 0.567 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 175.9 | -73 | -64.9 | -70.9 | 0 | 0 | 112.2 | L9 L10 L15 L16 V17 | L9-M13 WeakPolarHBondContact O-CB 3.45Å; L9-M13 VanDerWaalsContact O-CG 3.27Å; L9-M13 WeakPolarHBondContact O-CG 3.47Å; L9-M13 PolarHBondContact O-N 3.14Å; L10-M13 PolarHBondContact O-N 3.29Å; M13-L15 VanDerWaalsContact C-N 3.33Å; M13-L15 PolarHBondContact O-N 2.99Å; M13-L16 PolarHBondContact O-N 2.98Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.1Å |
| 14 | A | 78.3 | Confident | 68.6 | Low | 52 Ų | 52 | 107.2 Ų | 107.2 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.4 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 A11 V17 L18 | L10-A14 WeakPolarHBondContact O-CB 3.35Å; L10-A14 PolarHBondContact O-N 2.76Å; A11-A14 PolarHBondContact O-N 2.77Å; A14-V17 PolarHBondContact O-N 2.76Å; A14-L18 WeakPolarHBondContact O-CB 3.22Å; A14-L18 WeakPolarHBondContact O-CD1 3.01Å; A14-L18 PolarHBondContact O-N 2.93Å |
| 15 | L | 74.6 | Confident | 68.1 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.7 | -39.9 | 177.4 | -149.8 | 113.7 | 0 | 0 | 0 | 111.9 | A11 V12 M13 L18 T19 | A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 PolarHBondContact O-N 2.93Å; V12-L15 PolarHBondContact O-N 2.84Å; M13-L15 VanDerWaalsContact C-N 3.33Å; M13-L15 PolarHBondContact O-N 2.99Å; L15-L18 WeakPolarHBondContact O-CB 3.14Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-T19 WeakPolarHBondContact O-CG2 3.44Å; L15-T19 PolarHBondContact O-N 3.16Å; L15-T19 PolarHBondContact O-OG1 3.47Å |
| 16 | L | 73.6 | Confident | 67.1 | Low | 92 Ų | 92 | 99.3 Ų | 99.3 | 48% | 0.482 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 173.7 | -93.9 | 146.1 | 0 | 0 | 0 | 112.3 | V12 M13 L18 T19 V20 | V12-L16 HydrophobicContact CG1-CD1 3.9Å; V12-L16 WeakPolarHBondContact O-CB 3.15Å; V12-L16 PolarHBondContact O-N 3.18Å; M13-L16 PolarHBondContact O-N 2.98Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-T19 PolarHBondContact O-N 3.21Å; L16-T19 PolarHBondContact O-OG1 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.03Å |
| 17 | V | 71.1 | Confident | 65.8 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | M13 A14 V20 T21 | M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.1Å; A14-V17 PolarHBondContact O-N 2.76Å; V17-V20 PolarHBondContact O-N 3.38Å; V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 2.82Å; V17-T21 PolarHBondContact O-OG1 3.46Å |
| 18 | L | 64.9 | Low | 64.3 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.9 | -37.3 | 173.9 | -86.7 | 149.8 | 0 | 0 | 0 | 112.5 | A14 L15 L16 T21 A22 | A14-L18 WeakPolarHBondContact O-CB 3.22Å; A14-L18 WeakPolarHBondContact O-CD1 3.01Å; A14-L18 PolarHBondContact O-N 2.93Å; L15-L18 WeakPolarHBondContact O-CB 3.14Å; L15-L18 PolarHBondContact O-N 3.42Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-T21 PolarHBondContact O-OG1 2.84Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 2.85Å |
| 19 | T | 62 | Low | 62.8 | Low | 82 Ų | 82 | 99.7 Ų | 99.7 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.1 | -30.1 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | L15 L16 G23 | L15-T19 WeakPolarHBondContact O-CG2 3.44Å; L15-T19 PolarHBondContact O-N 3.16Å; L15-T19 PolarHBondContact O-OG1 3.47Å; L16-T19 PolarHBondContact O-N 3.21Å; L16-T19 PolarHBondContact O-OG1 3.25Å; T19-G23 PolarHBondContact O-N 3.01Å |
| 20 | V | 58.9 | Low | 61.3 | Low | 107 Ų | 107 | 104 Ų | 104 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.9 | -36.1 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | L16 V17 G23 | L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.03Å; V17-V20 PolarHBondContact O-N 3.38Å; V20-G23 PolarHBondContact O-N 3.33Å |
| 21 | T | 56.4 | Low | 59.6 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79 | -23.3 | 174.3 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | V17 L18 G23 | V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 2.82Å; V17-T21 PolarHBondContact O-OG1 3.46Å; L18-T21 PolarHBondContact O-OG1 2.84Å; T21-G23 VanDerWaalsContact C-N 3.32Å |
| 22 | A | 53.2 | Low | 57.9 | Low | 70 Ų | 70 | 107.4 Ų | 107.4 | 58% | 0.579 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -85.5 | -3.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L18 E24 G25 | L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 2.85Å; A22-E24 PolarHBondContact O-N 2.9Å; A22-G25 PolarHBondContact O-N 2.04Å |
| 23 | G | 51 | Low | 56.1 | Low | 61 Ų | 61 | 111.3 Ų | 111.3 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -76.9 | 2.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T19 V20 T21 | T19-G23 PolarHBondContact O-N 3.01Å; V20-G23 PolarHBondContact O-N 3.33Å; T21-G23 VanDerWaalsContact C-N 3.32Å |
| 24 | E | 51.8 | Low | 54.3 | Low | 190 Ų | 190 | 115.3 Ų | 115.3 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -118.4 | 33.9 | 164.9 | -66.7 | -175.4 | 94.8 | 0 | 0 | 110.5 | A22 G26 | A22-E24 PolarHBondContact O-N 2.9Å; E24-G26 VanDerWaalsContact C-N 3.26Å |
| 25 | G | 52.6 | Low | 52.9 | Low | 69 Ų | 69 | 118.4 Ų | 118.4 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | -92.8 | 34.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A22 I27 | A22-G25 PolarHBondContact O-N 2.04Å; G25-I27 PolarHBondContact O-N 3.23Å | ||
| 26 | G | 43.5 | Very low | 52 | Low | 64 Ų | 64 | 123.8 Ų | 123.8 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | trans | -93.2 | 95.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E24 | E24-G26 VanDerWaalsContact C-N 3.26Š| ||
| 27 | I | 42 | Very low | 51.1 | Low | 152 Ų | 152 | 128.4 Ų | 128.4 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | 68.3 | 109.8 | 162.1 | -27.2 | -172.1 | 0 | 0 | 0 | 113.5 | G25 E29 | G25-I27 PolarHBondContact O-N 3.23Å; I27-E29 PolarHBondContact O-N 3.45Å | ||
| 28 | A | 43.7 | Very low | 50.4 | Low | 95 Ų | 95 | 126.7 Ų | 126.7 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -49.6 | 100.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | K30 | A28-K30 PolarHBondContact O-N 3.23Š| ||
| 29 | E | 44.3 | Very low | 50.4 | Low | 164 Ų | 164 | 127.7 Ų | 127.7 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -47.7 | 109.6 | 170.2 | -130 | -141.1 | 107.2 | 0 | 0 | 104.2 | I27 Q31 | I27-E29 PolarHBondContact O-N 3.45Å; E29-Q31 PolarHBondContact O-N 2Å | ||
| 30 | K | 45.2 | Very low | 50.8 | Low | 194 Ų | 194 | 124.5 Ų | 124.5 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | trans | -49.8 | 99.7 | 167.1 | -74.4 | -91.9 | 178.3 | 178.7 | 0 | 103.1 | A28 G32 | A28-K30 PolarHBondContact O-N 3.23Å; K30-G32 WeakPolarHBondContact O-CA 3.43Å; K30-G32 PolarHBondContact O-N 2.99Å | ||
| 31 | Q | 44.3 | Very low | 51.7 | Low | 189 Ų | 189 | 121.2 Ų | 121.2 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | trans | -33.5 | 101.6 | -177 | -99.1 | 174.1 | -2.5 | 0 | 0 | 105.4 | E29 K33 | E29-Q31 PolarHBondContact O-N 2Å; Q31-K33 VanDerWaalsContact C-N 3.28Å; Q31-K33 PolarHBondContact O-N 2.96Å | ||
| 32 | G | 43.9 | Very low | 53 | Low | 49 Ų | 49 | 124.4 Ų | 124.4 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | trans | -51.3 | 112.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 101.5 | K30 K34 | K30-G32 WeakPolarHBondContact O-CA 3.43Å; K30-G32 PolarHBondContact O-N 2.99Å; G32-K34 PolarHBondContact O-N 2.87Å | ||
| 33 | K | 43.4 | Very low | 54.4 | Low | 169 Ų | 169 | 123.4 Ų | 123.4 | 74% | 0.735 | 66% | 0.664 | S | S | * | * | trans | -45.8 | 106.7 | 177.1 | -158.4 | -177.2 | -175.2 | -154.5 | 0 | 101.5 | Q31 D35 | Q31-K33 VanDerWaalsContact C-N 3.28Å; Q31-K33 PolarHBondContact O-N 2.96Å; K33-D35 PolarHBondContact O-N 3.46Å | ||
| 34 | K | 42.3 | Very low | 56.1 | Low | 199 Ų | 199 | 126.8 Ų | 126.8 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | trans | -65 | 80.8 | 161.5 | -92 | -180 | 177.2 | 172.5 | 0 | 100 | G32 R36 | G32-K34 PolarHBondContact O-N 2.87Å; K34-R36 PolarHBondContact O-N 2Å | ||
| 35 | D | 47.8 | Very low | 57.8 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | trans | -48.9 | 94.1 | 148 | -85.3 | -74.8 | 0 | 0 | 0 | 100.1 | K33 K37 | K33-D35 PolarHBondContact O-N 3.46Å; D35-K37 PolarHBondContact O-N 3.15Å | ||
| 36 | R | 55.8 | Low | 59.3 | Low | 232 Ų | 232 | 121.1 Ų | 121.1 | 88% | 0.875 | 62% | 0.622 | S | S | * | * | trans | -48.6 | 99 | 162 | -84.8 | -175.3 | 168.1 | 163 | -2.7 | 100.7 | K34 S38 | K34-R36 PolarHBondContact O-N 2Å; R36-S38 PolarHBondContact O-N 2.75Å | ||
| 37 | K | 54.9 | Low | 61.4 | Low | 188 Ų | 188 | 124 Ų | 124 | 82% | 0.817 | 63% | 0.626 | S | S | * | * | trans | -66.1 | 87.2 | 175.5 | -176.2 | 170 | -179.8 | -179.5 | 0 | 100.6 | D35 D39 | D35-K37 PolarHBondContact O-N 3.15Å; K37-D39 PolarHBondContact O-N 2.76Å | ||
| 38 | S | 57 | Low | 63.5 | Low | 55 Ų | 55 | 118.2 Ų | 118.2 | 39% | 0.385 | 60% | 0.599 | S | S | . | * | trans | -47.2 | 115.7 | 177.6 | 38.6 | 0 | 0 | 0 | 0 | 103.8 | R36 C40 | R36-S38 PolarHBondContact O-N 2.75Å; S38-C40 PolarHBondContact O-N 2.96Å | ||
| 39 | D | 64.1 | Low | 65.5 | Low | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | trans | -64.8 | 62.7 | -177.5 | -81.2 | -72.6 | 0 | 0 | 0 | 109.4 | K37 | K37-D39 PolarHBondContact O-N 2.76Š| ||
| 40 | C | 71.1 | Confident | 67.3 | Low | 15 Ų | 15 | 111.5 Ų | 111.5 | 10% | 0.101 | 56% | 0.561 | C | S | . | * | B | Isolated β-bridge | trans | -113.3 | 121.5 | 179.9 | -171.6 | 0 | 0 | 0 | 0 | 105 | S38 R64 C69 | S38-C40 PolarHBondContact O-N 2.96Å; C40-R64 PolarHBondContact O-NH1 2.69Å; C40-R64 VanDerWaalsContact O-NH1 3.12Å; C40-R64 PolarHBondContact SG-NE 3.45Å; C40-R64 PolarHBondContact SG-NH2 3.28Å; C40-C69 HydrophobicContact CB-CB 4.09Å; C40-C69 WeakPolarHBondContact CB-SG 3.37Å; C40-C69 VanDerWaalsContact SG-CA 3.52Å; C40-C69 WeakPolarHBondContact SG-CB 3.44Å; C40-C69 CovalentContact SG-SG 2Å; C40-C69 PolarHBondContact SG-SG 3.48Å |
| 41 | G | 78.1 | Confident | 68.8 | Low | 39 Ų | 39 | 106.9 Ų | 106.9 | 40% | 0.402 | 55% | 0.546 | S | S | . | . | trans | -59.8 | -172.1 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R64 T65 | G41-R64 WeakPolarHBondContact O-CD 3.36Å; G41-R64 WeakPolarHBondContact O-CG 3.49Å; G41-R64 PolarHBondContact O-NH1 2.9Å; G41-T65 PolarHBondContact N-O 3Å | ||
| 42 | E | 82.3 | Confident | 70 | Confident | 168 Ų | 168 | 104.9 Ų | 104.9 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | trans | -75.1 | 148.4 | 175.4 | -175.3 | 164.3 | 69.2 | 0 | 0 | 111.7 | Q44 | E42-Q44 PolarHBondContact O-N 2.91Š| ||
| 43 | W | 82.8 | Confident | 71.2 | Confident | 49 Ų | 49 | 105.4 Ų | 105.4 | 19% | 0.186 | 54% | 0.542 | C | S | . | . | trans | -68.7 | 118.4 | 176.3 | -72.2 | 97.5 | 0 | 0 | 0 | 111 | W45 G62 R64 Q71 K74 | W43-W45 HydrophobicContact CB-CD2 4.36Å; W43-W45 HydrophobicContact CB-CZ2 3.76Å; W43-W45 HydrophobicContact CD2-CH2 4.41Å; W43-W45 HydrophobicContact CD2-CZ2 4.28Å; W43-W45 HydrophobicContact CG-CH2 4.41Å; W43-W45 AromaticContact CG-CZ2 3.82Å; W43-W45 HydrophobicContact CG-CZ2 3.82Å; W43-W45 PolarHBondContact O-N 2.8Å; W43-G62 VanDerWaalsContact CZ3-O 3.27Å; W43-G62 WeakPolarHBondContact CZ3-O 2.98Å; W43-R64 HydrophobicContact CD2-CB 3.99Å; W43-R64 HydrophobicContact CD2-CG 4.4Å; W43-R64 VanDerWaalsContact CE2-CD 3.47Å; W43-R64 HydrophobicContact CE3-CB 3.62Å; W43-R64 HydrophobicContact CE3-CG 4.5Å; W43-R64 HydrophobicContact CH2-CB 4.22Å; W43-R64 HydrophobicContact CZ3-CB 3.73Å; W43-Q71 HydrophobicContact CH2-CB 4.15Å; W43-Q71 VanDerWaalsContact CH2-O 3.29Å; W43-Q71 WeakPolarHBondContact CH2-O 3.43Å; W43-K74 HydrophobicContact CE3-CB 4.08Å; W43-K74 HydrophobicContact CH2-CB 3.55Å; W43-K74 HydrophobicContact CH2-CD 4.35Å; W43-K74 HydrophobicContact CZ2-CB 4.15Å; W43-K74 HydrophobicContact CZ2-CD 4.09Å; W43-K74 HydrophobicContact CZ3-CB 3.52Å | ||
| 44 | Q | 87.7 | Confident | 72.6 | Confident | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 101.1 | 169.3 | -64.9 | -63.5 | -63.8 | 0 | 0 | 108.7 | E42 G62 T63 | E42-Q44 PolarHBondContact O-N 2.91Å; Q44-G62 CarbonylContact O-C 3.54Å; Q44-G62 VanDerWaalsContact O-CA 3.26Å; Q44-G62 WeakPolarHBondContact O-CA 3.4Å; Q44-T63 WeakPolarHBondContact CB-O 3.46Å; Q44-T63 PolarHBondContact N-O 3.31Å; Q44-T63 PolarHBondContact O-N 2.87Å |
| 45 | W | 86.8 | Confident | 74.3 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 31% | 0.307 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.2 | 179.5 | -61.7 | 104.7 | 0 | 0 | 0 | 111.4 | W43 R60 K74 Q76 | W43-W45 HydrophobicContact CB-CD2 4.36Å; W43-W45 HydrophobicContact CB-CZ2 3.76Å; W43-W45 HydrophobicContact CD2-CH2 4.41Å; W43-W45 HydrophobicContact CD2-CZ2 4.28Å; W43-W45 HydrophobicContact CG-CH2 4.41Å; W43-W45 AromaticContact CG-CZ2 3.82Å; W43-W45 HydrophobicContact CG-CZ2 3.82Å; W43-W45 PolarHBondContact O-N 2.8Å; W45-R60 HydrophobicContact CE3-CG 4.06Å; W45-K74 HydrophobicContact CH2-CB 4.31Å; W45-K74 HydrophobicContact CH2-CD 3.92Å; W45-K74 HydrophobicContact CH2-CG 4.02Å; W45-K74 HydrophobicContact CZ3-CB 4.49Å; W45-K74 HydrophobicContact CZ3-CG 4.4Å; W45-K74 WeakPolarHBondContact CZ3-O 3.47Å; W45-Q76 HydrophobicContact CE3-CB 4.27Å; W45-Q76 HydrophobicContact CH2-CB 3.99Å; W45-Q76 HydrophobicContact CZ3-CB 3.63Å |
| 46 | S | 84.9 | Confident | 75.8 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 169.5 | 169.4 | 77.7 | 0 | 0 | 0 | 0 | 111.7 | R60 E61 | S46-R60 WeakPolarHBondContact O-CB 3.42Å; S46-E61 WeakPolarHBondContact CB-O 3.15Å; S46-E61 PolarHBondContact N-O 2.73Å; S46-E61 PolarHBondContact OG-N 2.95Å; S46-E61 PolarHBondContact OG-O 2.83Å |
| 47 | V | 86.6 | Confident | 77.1 | Confident | 124 Ų | 124 | 87.8 Ų | 87.8 | 75% | 0.752 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 142.8 | 171.2 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | V49 | V47-V49 PolarHBondContact O-N 2.77Š|
| 48 | C | 86.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 79 Ų | 79 | 21% | 0.209 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 121.6 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 110 | C78 I80 | C48-C78 VanDerWaalsContact CA-SG 3.55Å; C48-C78 HydrophobicContact CB-CB 3.82Å; C48-C78 WeakPolarHBondContact CB-SG 3.42Å; C48-C78 WeakPolarHBondContact SG-CB 3.31Å; C48-C78 CovalentContact SG-SG 2Å; C48-C78 PolarHBondContact SG-SG 3.16Å; C48-I80 HydrophobicContact CB-CD1 4.24Å; C48-I80 HydrophobicContact CB-CG1 3.97Å; C48-I80 WeakPolarHBondContact O-CD1 3.01Å; C48-I80 WeakPolarHBondContact SG-CG1 3.33Å |
| 49 | V | 86.1 | Confident | 80.1 | Confident | 95 Ų | 95 | 78.9 Ų | 78.9 | 58% | 0.576 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.9 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | V47 G58 T59 | V47-V49 PolarHBondContact O-N 2.77Å; V49-G58 CarbonylContact O-C 3.52Å; V49-G58 WeakPolarHBondContact O-CA 2.95Å; V49-T59 PolarHBondContact N-O 2.81Å; V49-T59 PolarHBondContact O-N 3.02Å |
| 50 | A | 81.4 | Confident | 81.2 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 142.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E52 G53 I80 | A50-E52 VanDerWaalsContact C-N 3.3Å; A50-G53 WeakPolarHBondContact CB-O 3.42Å; A50-I80 HydrophobicContact CB-CD1 3.77Å |
| 51 | N | 76.6 | Confident | 82.1 | Confident | 98 Ų | 98 | 80 Ų | 80 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -72.4 | -28.5 | 175.9 | -75.1 | -101.1 | 0 | 0 | 0 | 111.9 | L57 G58 | N51-L57 PolarHBondContact N-O 2.84Å; N51-L57 PolarHBondContact ND2-O 2.79Å; N51-G58 WeakPolarHBondContact ND2-CA 3.48Å |
| 52 | E | 69.1 | Low | 82.6 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -151.3 | 119.9 | -178.4 | -169.2 | 177 | 92.8 | 0 | 0 | 109.1 | A50 | A50-E52 VanDerWaalsContact C-N 3.3Š|
| 53 | G | 70.1 | Confident | 82.8 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 63% | 0.629 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 71.8 | -169.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A50 | A50-G53 WeakPolarHBondContact CB-O 3.42Š|
| 54 | D | 73.1 | Confident | 82.9 | Confident | 161 Ų | 161 | 73 Ų | 73 | 86% | 0.861 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -81.2 | -11.3 | -176.5 | -86.8 | -97.9 | 0 | 0 | 0 | 115.1 | ||
| 55 | C | 77.5 | Confident | 82.4 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -151.5 | 152.5 | -174 | 82.8 | 0 | 0 | 0 | 0 | 112.5 | I80 C82 | C55-I80 HydrophobicContact CB-CG2 4.47Å; C55-C82 HydrophobicContact CB-CB 3.7Å; C55-C82 WeakPolarHBondContact CB-SG 3.39Å; C55-C82 VanDerWaalsContact SG-CA 3.54Å; C55-C82 WeakPolarHBondContact SG-CB 2.96Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 2.66Å |
| 56 | G | 79.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 70.2 Ų | 70.2 | 11% | 0.113 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 124.4 | -142.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K79 I80 | G56-K79 CarbonylContact O-C 3.57Å; G56-K79 WeakPolarHBondContact O-CA 2.93Å; G56-I80 PolarHBondContact N-O 3.45Å; G56-I80 VanDerWaalsContact N-O 3.15Å; G56-I80 PolarHBondContact O-N 2.92Å |
| 57 | L | 82.4 | Confident | 81 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 67% | 0.665 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.8 | -179.3 | -67.9 | 174.4 | 0 | 0 | 0 | 110.1 | N51 K79 | N51-L57 PolarHBondContact N-O 2.84Å; N51-L57 PolarHBondContact ND2-O 2.79Å; L57-K79 HydrophobicContact CD2-CG 4.34Å |
| 58 | G | 87.1 | Confident | 80.1 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V49 N51 R77 C78 | V49-G58 CarbonylContact O-C 3.52Å; V49-G58 WeakPolarHBondContact O-CA 2.95Å; N51-G58 WeakPolarHBondContact ND2-CA 3.48Å; G58-R77 WeakPolarHBondContact O-CA 2.82Å; G58-C78 CarbonylContact C-O 3.59Å; G58-C78 VanDerWaalsContact C-SG 3.53Å; G58-C78 PolarHBondContact N-O 3.36Å; G58-C78 PolarHBondContact O-N 3.16Å; G58-C78 VanDerWaalsContact O-O 3.1Å |
| 59 | T | 88.3 | Confident | 79.2 | Confident | 53 Ų | 53 | 73 Ų | 73 | 33% | 0.325 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142 | 172.3 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | V49 T75 Q76 R77 | V49-T59 PolarHBondContact N-O 2.81Å; V49-T59 PolarHBondContact O-N 3.02Å; T59-T75 HydrophobicContact CG2-CG2 4.22Å; T59-Q76 CarbonylContact C-O 3.59Å; T59-Q76 WeakPolarHBondContact CA-O 2.87Å; T59-R77 HydrophobicContact CG2-CG 4.38Å |
| 60 | R | 88.3 | Confident | 78.5 | Confident | 77 Ų | 77 | 78.4 Ų | 78.4 | 29% | 0.291 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.3 | 170.9 | 62.3 | -176.3 | -176.8 | 172 | 0.7 | 109.4 | W45 S46 T75 Q76 C78 | W45-R60 HydrophobicContact CE3-CG 4.06Å; S46-R60 WeakPolarHBondContact O-CB 3.42Å; R60-T75 CarbonylContact O-C 3.58Å; R60-T75 WeakPolarHBondContact O-CA 3.38Å; R60-Q76 HydrophobicContact CG-CB 4.13Å; R60-Q76 PolarHBondContact N-O 2.63Å; R60-Q76 PolarHBondContact O-N 3.28Å; R60-C78 HydrophobicContact CG-CB 4.28Å |
| 61 | E | 89.5 | Confident | 77.9 | Confident | 95 Ų | 95 | 83 Ų | 83 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.7 | 175.3 | -167.2 | 170.1 | 100.1 | 0 | 0 | 109 | S46 I73 | S46-E61 WeakPolarHBondContact CB-O 3.15Å; S46-E61 PolarHBondContact N-O 2.73Å; S46-E61 PolarHBondContact OG-N 2.95Å; S46-E61 PolarHBondContact OG-O 2.83Å; E61-I73 HydrophobicContact CG-CG2 3.63Å |
| 62 | G | 89.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | W43 Q44 I73 K74 | W43-G62 VanDerWaalsContact CZ3-O 3.27Å; W43-G62 WeakPolarHBondContact CZ3-O 2.98Å; Q44-G62 CarbonylContact O-C 3.54Å; Q44-G62 VanDerWaalsContact O-CA 3.26Å; Q44-G62 WeakPolarHBondContact O-CA 3.4Å; G62-I73 CarbonylContact O-C 3.57Å; G62-I73 WeakPolarHBondContact O-CA 3.46Å; G62-K74 PolarHBondContact N-O 3.21Å; G62-K74 PolarHBondContact O-N 3.12Å |
| 63 | T | 86.6 | Confident | 78.7 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 144.1 | 171.9 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | Q44 T72 | Q44-T63 WeakPolarHBondContact CB-O 3.46Å; Q44-T63 PolarHBondContact N-O 3.31Å; Q44-T63 PolarHBondContact O-N 2.87Å; T63-T72 CarbonylContact C-O 3.53Å; T63-T72 WeakPolarHBondContact CA-O 2.95Å |
| 64 | R | 84.4 | Confident | 79.4 | Confident | 45 Ų | 45 | 81 Ų | 81 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | trans | -142.6 | 134 | -178.7 | -164.5 | 168.5 | 83.6 | 123.4 | -5.4 | 110 | C40 G41 W43 T72 | C40-R64 PolarHBondContact O-NH1 2.69Å; C40-R64 VanDerWaalsContact O-NH1 3.12Å; C40-R64 PolarHBondContact SG-NE 3.45Å; C40-R64 PolarHBondContact SG-NH2 3.28Å; G41-R64 WeakPolarHBondContact O-CD 3.36Å; G41-R64 WeakPolarHBondContact O-CG 3.49Å; G41-R64 PolarHBondContact O-NH1 2.9Å; W43-R64 HydrophobicContact CD2-CB 3.99Å; W43-R64 HydrophobicContact CD2-CG 4.4Å; W43-R64 VanDerWaalsContact CE2-CD 3.47Å; W43-R64 HydrophobicContact CE3-CB 3.62Å; W43-R64 HydrophobicContact CE3-CG 4.5Å; W43-R64 HydrophobicContact CH2-CB 4.22Å; W43-R64 HydrophobicContact CZ3-CB 3.73Å; R64-T72 PolarHBondContact N-O 3.13Å | ||
| 65 | T | 76.4 | Confident | 80 | Confident | 117 Ų | 117 | 77.7 Ų | 77.7 | 72% | 0.718 | 42% | 0.421 | S | S | * | . | trans | -112.3 | 145.8 | 179.8 | 35.4 | 0 | 0 | 0 | 0 | 110.6 | G41 | G41-T65 PolarHBondContact N-O 3Š| ||
| 66 | G | 74.4 | Confident | 80.4 | Confident | 40 Ų | 40 | 78.6 Ų | 78.6 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | 164 | 163.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D68 C69 | G66-D68 PolarHBondContact O-N 3.35Å; G66-C69 VanDerWaalsContact C-SG 3.52Å; G66-C69 WeakPolarHBondContact CA-SG 3.36Å; G66-C69 PolarHBondContact N-SG 3.04Å; G66-C69 PolarHBondContact O-SG 3.17Å; G66-C69 VanDerWaalsContact O-SG 3.34Å |
| 67 | T | 67.6 | Low | 80.7 | Confident | 127 Ų | 127 | 87.9 Ų | 87.9 | 78% | 0.779 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -23.3 | -168.2 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 68 | D | 67.8 | Low | 80.8 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | 46 | -179.2 | -97 | -74.4 | 0 | 0 | 0 | 112.7 | G66 K70 | G66-D68 PolarHBondContact O-N 3.35Å; D68-K70 PolarHBondContact O-N 3.34Å |
| 69 | C | 68.3 | Low | 80.6 | Confident | 26 Ų | 26 | 90.9 Ų | 90.9 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | trans | -83.1 | 104.7 | -178.8 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | C40 G66 Q71 T72 | C40-C69 HydrophobicContact CB-CB 4.09Å; C40-C69 WeakPolarHBondContact CB-SG 3.37Å; C40-C69 VanDerWaalsContact SG-CA 3.52Å; C40-C69 WeakPolarHBondContact SG-CB 3.44Å; C40-C69 CovalentContact SG-SG 2Å; C40-C69 PolarHBondContact SG-SG 3.48Å; G66-C69 VanDerWaalsContact C-SG 3.52Å; G66-C69 WeakPolarHBondContact CA-SG 3.36Å; G66-C69 PolarHBondContact N-SG 3.04Å; G66-C69 PolarHBondContact O-SG 3.17Å; G66-C69 VanDerWaalsContact O-SG 3.34Å; C69-Q71 PolarHBondContact O-N 2Å; C69-T72 HydrophobicContact CB-CG2 4.18Å | ||
| 70 | K | 71 | Confident | 80.4 | Confident | 208 Ų | 208 | 90.1 Ų | 90.1 | 90% | 0.904 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -57.5 | -28.6 | 171.9 | -67.6 | -172.1 | 179.5 | -169.9 | 0 | 114.2 | D68 | D68-K70 PolarHBondContact O-N 3.34Š|
| 71 | Q | 70.1 | Confident | 79.9 | Confident | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | trans | -140.3 | 119.4 | 176.7 | -70.4 | -174.1 | -28.6 | 0 | 0 | 108.3 | W43 C69 | W43-Q71 HydrophobicContact CH2-CB 4.15Å; W43-Q71 VanDerWaalsContact CH2-O 3.29Å; W43-Q71 WeakPolarHBondContact CH2-O 3.43Å; C69-Q71 PolarHBondContact O-N 2Å | ||
| 72 | T | 79.3 | Confident | 79.1 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -90.1 | -26.2 | 176.5 | 32 | 0 | 0 | 0 | 0 | 112.2 | T63 R64 C69 | T63-T72 CarbonylContact C-O 3.53Å; T63-T72 WeakPolarHBondContact CA-O 2.95Å; R64-T72 PolarHBondContact N-O 3.13Å; C69-T72 HydrophobicContact CB-CG2 4.18Å |
| 73 | I | 83.3 | Confident | 78.2 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.4 | -179.5 | -55.7 | 171.5 | 0 | 0 | 0 | 109.6 | E61 G62 | E61-I73 HydrophobicContact CG-CG2 3.63Å; G62-I73 CarbonylContact O-C 3.57Å; G62-I73 WeakPolarHBondContact O-CA 3.46Å |
| 74 | K | 84.4 | Confident | 77 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 124.8 | 177.2 | 179.5 | 171.6 | 173.9 | -178.1 | 0 | 111.1 | W43 W45 G62 | W43-K74 HydrophobicContact CE3-CB 4.08Å; W43-K74 HydrophobicContact CH2-CB 3.55Å; W43-K74 HydrophobicContact CH2-CD 4.35Å; W43-K74 HydrophobicContact CZ2-CB 4.15Å; W43-K74 HydrophobicContact CZ2-CD 4.09Å; W43-K74 HydrophobicContact CZ3-CB 3.52Å; W45-K74 HydrophobicContact CH2-CB 4.31Å; W45-K74 HydrophobicContact CH2-CD 3.92Å; W45-K74 HydrophobicContact CH2-CG 4.02Å; W45-K74 HydrophobicContact CZ3-CB 4.49Å; W45-K74 HydrophobicContact CZ3-CG 4.4Å; W45-K74 WeakPolarHBondContact CZ3-O 3.47Å; G62-K74 PolarHBondContact N-O 3.21Å; G62-K74 PolarHBondContact O-N 3.12Å |
| 75 | T | 86.1 | Confident | 75.8 | Confident | 91 Ų | 91 | 99.3 Ų | 99.3 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.5 | 170.6 | -38.7 | 0 | 0 | 0 | 0 | 110.3 | T59 R60 | T59-T75 HydrophobicContact CG2-CG2 4.22Å; R60-T75 CarbonylContact O-C 3.58Å; R60-T75 WeakPolarHBondContact O-CA 3.38Å |
| 76 | Q | 84.9 | Confident | 75.1 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.3 | 175.1 | -165.1 | -166.7 | 56.3 | 0 | 0 | 110.6 | W45 T59 R60 | W45-Q76 HydrophobicContact CE3-CB 4.27Å; W45-Q76 HydrophobicContact CH2-CB 3.99Å; W45-Q76 HydrophobicContact CZ3-CB 3.63Å; T59-Q76 CarbonylContact C-O 3.59Å; T59-Q76 WeakPolarHBondContact CA-O 2.87Å; R60-Q76 HydrophobicContact CG-CB 4.13Å; R60-Q76 PolarHBondContact N-O 2.63Å; R60-Q76 PolarHBondContact O-N 3.28Å |
| 77 | R | 85.1 | Confident | 74.4 | Confident | 205 Ų | 205 | 107 Ų | 107 | 77% | 0.774 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 135.1 | 170.1 | -62.2 | -176.6 | -176.9 | -167.8 | 0.8 | 109.9 | G58 T59 | G58-R77 WeakPolarHBondContact O-CA 2.82Å; T59-R77 HydrophobicContact CG2-CG 4.38Å |
| 78 | C | 85.6 | Confident | 74.2 | Confident | 20 Ų | 20 | 103.2 Ų | 103.2 | 14% | 0.135 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 159.9 | -179.8 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | C48 G58 R60 | C48-C78 VanDerWaalsContact CA-SG 3.55Å; C48-C78 HydrophobicContact CB-CB 3.82Å; C48-C78 WeakPolarHBondContact CB-SG 3.42Å; C48-C78 WeakPolarHBondContact SG-CB 3.31Å; C48-C78 CovalentContact SG-SG 2Å; C48-C78 PolarHBondContact SG-SG 3.16Å; G58-C78 CarbonylContact C-O 3.59Å; G58-C78 VanDerWaalsContact C-SG 3.53Å; G58-C78 PolarHBondContact N-O 3.36Å; G58-C78 PolarHBondContact O-N 3.16Å; G58-C78 VanDerWaalsContact O-O 3.1Å; R60-C78 HydrophobicContact CG-CB 4.28Å |
| 79 | K | 82.3 | Confident | 73.8 | Confident | 173 Ų | 173 | 99.9 Ų | 99.9 | 75% | 0.752 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.2 | -178.7 | -170.7 | -179.4 | -180 | -168.6 | 0 | 108.7 | G56 L57 | G56-K79 CarbonylContact O-C 3.57Å; G56-K79 WeakPolarHBondContact O-CA 2.93Å; L57-K79 HydrophobicContact CD2-CG 4.34Å |
| 80 | I | 84.2 | Confident | 73.5 | Confident | 36 Ų | 36 | 102.2 Ų | 102.2 | 19% | 0.185 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.3 | 177.3 | -53.4 | -176.5 | 0 | 0 | 0 | 107.8 | C48 A50 C55 G56 C82 | C48-I80 HydrophobicContact CB-CD1 4.24Å; C48-I80 HydrophobicContact CB-CG1 3.97Å; C48-I80 WeakPolarHBondContact O-CD1 3.01Å; C48-I80 WeakPolarHBondContact SG-CG1 3.33Å; A50-I80 HydrophobicContact CB-CD1 3.77Å; C55-I80 HydrophobicContact CB-CG2 4.47Å; G56-I80 PolarHBondContact N-O 3.45Å; G56-I80 VanDerWaalsContact N-O 3.15Å; G56-I80 PolarHBondContact O-N 2.92Å; I80-C82 PolarHBondContact O-N 2.66Å |
| 81 | P | 76.5 | Confident | 73.3 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 77% | 0.766 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 121.6 | 179.6 | 26.6 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 82 | C | 74.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 93.7 Ų | 93.7 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 133.2 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | C55 I80 W84 | C55-C82 HydrophobicContact CB-CB 3.7Å; C55-C82 WeakPolarHBondContact CB-SG 3.39Å; C55-C82 VanDerWaalsContact SG-CA 3.54Å; C55-C82 WeakPolarHBondContact SG-CB 2.96Å; C55-C82 CovalentContact SG-SG 2.04Å; C55-C82 PolarHBondContact SG-SG 2.66Å; I80-C82 PolarHBondContact O-N 2.66Å; C82-W84 HydrophobicContact CB-CG 4.39Å; C82-W84 PolarHBondContact O-N 2.7Å |
| 83 | N | 69.3 | Low | 73.6 | Confident | 98 Ų | 98 | 96.6 Ų | 96.6 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -80.3 | 15.6 | -179 | -159.9 | 34.9 | 0 | 0 | 0 | 114.8 | K85 K86 | N83-K85 PolarHBondContact O-N 2.64Å; N83-K85 VanDerWaalsContact O-N 3.1Å; N83-K86 PolarHBondContact O-N 2.67Å; N83-K86 WeakPolarHBondContact OD1-CB 3.27Å; N83-K86 WeakPolarHBondContact OD1-CD 3.26Å |
| 84 | W | 62.8 | Low | 73.5 | Confident | 78 Ų | 78 | 93.2 Ų | 93.2 | 30% | 0.295 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -64.3 | -18.3 | -176.1 | 60 | -101.5 | 0 | 0 | 0 | 114 | C82 F88 W99 | C82-W84 HydrophobicContact CB-CG 4.39Å; C82-W84 PolarHBondContact O-N 2.7Å; W84-F88 WeakPolarHBondContact O-CD2 3.29Å; W84-F88 WeakPolarHBondContact O-CE2 3.36Å; W84-W99 HydrophobicContact CH2-CZ2 4.12Å; W84-W99 HydrophobicContact CZ3-CH2 4.42Å; W84-W99 HydrophobicContact CZ3-CZ2 4.31Å |
| 85 | K | 59.4 | Low | 73.5 | Confident | 151 Ų | 151 | 93 Ų | 93 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -89.4 | -17.2 | -178.4 | -165.4 | 163.5 | -178 | 176.8 | 0 | 113.6 | N83 | N83-K85 PolarHBondContact O-N 2.64Å; N83-K85 VanDerWaalsContact O-N 3.1Å |
| 86 | K | 61.4 | Low | 73.3 | Confident | 160 Ų | 160 | 91 Ų | 91 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -81.4 | -20.4 | -173.4 | -149.9 | 176.3 | -174.5 | -173.8 | 0 | 113 | N83 F88 G89 | N83-K86 PolarHBondContact O-N 2.67Å; N83-K86 WeakPolarHBondContact OD1-CB 3.27Å; N83-K86 WeakPolarHBondContact OD1-CD 3.26Å; K86-F88 PolarHBondContact O-N 2.77Å; K86-G89 PolarHBondContact O-N 2.67Å |
| 87 | Q | 59.6 | Low | 73.3 | Confident | 158 Ų | 158 | 93.7 Ų | 93.7 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -68 | -16.7 | 172.9 | -59.9 | -64.2 | -23.1 | 0 | 0 | 113.4 | ||
| 88 | F | 63.2 | Low | 73.3 | Confident | 48 Ų | 48 | 88.2 Ų | 88.2 | 21% | 0.211 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -102.7 | 14.4 | 179.1 | -50.9 | -63 | 0 | 0 | 0 | 112.1 | W84 K86 F94 F96 V128 A130 | W84-F88 WeakPolarHBondContact O-CD2 3.29Å; W84-F88 WeakPolarHBondContact O-CE2 3.36Å; K86-F88 PolarHBondContact O-N 2.77Å; F88-F94 HydrophobicContact CD1-CD2 4.49Å; F88-F96 HydrophobicContact CD1-CZ 4.14Å; F88-F96 HydrophobicContact CD2-CZ 4.01Å; F88-F96 HydrophobicContact CE1-CZ 4.27Å; F88-F96 HydrophobicContact CE2-CZ 4.11Å; F88-F96 HydrophobicContact CG-CZ 4.02Å; F88-F96 HydrophobicContact CZ-CE1 4.47Å; F88-F96 HydrophobicContact CZ-CZ 4.24Å; F88-V128 HydrophobicContact CD1-CB 4.35Å; F88-V128 HydrophobicContact CD1-CG2 4.04Å; F88-V128 HydrophobicContact CE1-CB 3.7Å; F88-V128 HydrophobicContact CE1-CG1 4.16Å; F88-V128 HydrophobicContact CE1-CG2 3.7Å; F88-A130 HydrophobicContact CE2-CB 3.91Å; F88-A130 HydrophobicContact CZ-CB 4.01Å |
| 89 | G | 59.1 | Low | 73 | Confident | 51 Ų | 51 | 90.5 Ų | 90.5 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | trans | -87.7 | 113.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.9 | K86 | K86-G89 PolarHBondContact O-N 2.67Š| ||
| 90 | G | 62.8 | Low | 73 | Confident | 74 Ų | 74 | 83.9 Ų | 83.9 | 76% | 0.763 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 112 | -52.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 91 | E | 66.8 | Low | 72.8 | Confident | 124 Ų | 124 | 91.1 Ų | 91.1 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -95.5 | -27.7 | -164.7 | -65.6 | 169.1 | 93.3 | 0 | 0 | 113.3 | L119 A122 | E91-L119 PolarHBondContact O-N 2.69Å; E91-A122 HydrophobicContact CB-CB 3.72Å; E91-A122 HydrophobicContact CG-CB 4.46Å |
| 92 | C | 75 | Confident | 72.9 | Confident | 24 Ų | 24 | 87.9 Ų | 87.9 | 16% | 0.162 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 118.7 | -171.5 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | F94 L115 C124 | C92-F94 HydrophobicContact CB-CD2 4.11Å; C92-F94 HydrophobicContact CB-CE2 3.31Å; C92-F94 HydrophobicContact CB-CZ 3.77Å; C92-F94 WeakPolarHBondContact O-CD2 2.95Å; C92-L115 HydrophobicContact CB-CD1 4Å; C92-C124 HydrophobicContact CB-CB 3.73Å; C92-C124 WeakPolarHBondContact CB-SG 3.38Å; C92-C124 WeakPolarHBondContact SG-CB 3.41Å; C92-C124 CovalentContact SG-SG 2Å; C92-C124 PolarHBondContact SG-SG 2.93Å |
| 93 | K | 80.5 | Confident | 73.2 | Confident | 141 Ų | 141 | 90 Ų | 90 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117 | 175.8 | -171.4 | 174 | -176.7 | 176.5 | 0 | 110 | K116 R117 | K93-K116 PolarHBondContact O-N 3.35Å; K93-R117 HydrophobicContact CB-CB 4.24Å; K93-R117 PolarHBondContact N-O 2.85Å; K93-R117 PolarHBondContact O-N 2.74Å; K93-R117 VanDerWaalsContact O-N 3.14Å |
| 94 | F | 81.1 | Confident | 73.5 | Confident | 25 Ų | 25 | 92.9 Ų | 92.9 | 11% | 0.11 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.8 | 178.5 | -64.4 | -86 | 0 | 0 | 0 | 112 | F88 C92 F96 V114 L115 C124 P125 V128 | F88-F94 HydrophobicContact CD1-CD2 4.49Å; C92-F94 HydrophobicContact CB-CD2 4.11Å; C92-F94 HydrophobicContact CB-CE2 3.31Å; C92-F94 HydrophobicContact CB-CZ 3.77Å; C92-F94 WeakPolarHBondContact O-CD2 2.95Å; F94-F96 HydrophobicContact CB-CD2 4.32Å; F94-F96 HydrophobicContact CB-CE2 3.83Å; F94-F96 HydrophobicContact CB-CZ 4.11Å; F94-V114 CarbonylContact C-O 3.59Å; F94-V114 WeakPolarHBondContact CA-O 3.42Å; F94-L115 HydrophobicContact CD1-CB 4Å; F94-L115 HydrophobicContact CD1-CD1 4.09Å; F94-L115 HydrophobicContact CE1-CB 3.74Å; F94-L115 HydrophobicContact CE1-CD1 3.66Å; F94-L115 HydrophobicContact CE1-CG 4.28Å; F94-L115 HydrophobicContact CE2-CD1 4.35Å; F94-L115 HydrophobicContact CZ-CD1 3.79Å; F94-C124 HydrophobicContact CZ-CB 4.49Å; F94-P125 WeakPolarHBondContact CE1-O 3.26Å; F94-P125 HydrophobicContact CZ-CG 4.34Å; F94-V128 HydrophobicContact CB-CG2 4.19Å; F94-V128 HydrophobicContact CD1-CG1 4.23Å; F94-V128 HydrophobicContact CD1-CG2 3.57Å; F94-V128 HydrophobicContact CD2-CG2 4.09Å; F94-V128 HydrophobicContact CE1-CB 4.39Å; F94-V128 HydrophobicContact CE1-CG1 3.66Å; F94-V128 HydrophobicContact CE1-CG2 3.9Å; F94-V128 HydrophobicContact CE2-CG1 4.1Å; F94-V128 HydrophobicContact CE2-CG2 4.35Å; F94-V128 HydrophobicContact CG-CG2 3.69Å; F94-V128 HydrophobicContact CZ-CG1 3.59Å; F94-V128 HydrophobicContact CZ-CG2 4.28Å |
| 95 | D | 83.3 | Confident | 74 | Confident | 83 Ų | 83 | 95.6 Ų | 95.6 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 110.2 | 169.3 | -148.5 | -67.8 | 0 | 0 | 0 | 108.2 | G113 V114 K116 | D95-G113 CarbonylContact O-C 3.37Å; D95-G113 VanDerWaalsContact O-CA 3.22Å; D95-G113 WeakPolarHBondContact O-CA 3.49Å; D95-V114 PolarHBondContact N-O 3Å; D95-V114 PolarHBondContact O-N 2.98Å; D95-K116 HydrophobicContact CB-CB 4.4Å; D95-K116 HydrophobicContact CB-CD 4.26Å; D95-K116 WeakPolarHBondContact OD2-CD 3.12Å; D95-K116 IonicContact OD2-NZ 2.76Å; D95-K116 PolarHBondContact OD2-NZ 3.36Å |
| 96 | F | 82.4 | Confident | 74.5 | Confident | 50 Ų | 50 | 91.6 Ų | 91.6 | 22% | 0.219 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 129.5 | -177.1 | -73.5 | -84.7 | 0 | 0 | 0 | 110.6 | F88 F94 R111 V128 A130 | F88-F96 HydrophobicContact CD1-CZ 4.14Å; F88-F96 HydrophobicContact CD2-CZ 4.01Å; F88-F96 HydrophobicContact CE1-CZ 4.27Å; F88-F96 HydrophobicContact CE2-CZ 4.11Å; F88-F96 HydrophobicContact CG-CZ 4.02Å; F88-F96 HydrophobicContact CZ-CE1 4.47Å; F88-F96 HydrophobicContact CZ-CZ 4.24Å; F94-F96 HydrophobicContact CB-CD2 4.32Å; F94-F96 HydrophobicContact CB-CE2 3.83Å; F94-F96 HydrophobicContact CB-CZ 4.11Å; F96-R111 HydrophobicContact CD1-CG 4.08Å; F96-V128 HydrophobicContact CE1-CG2 3.9Å; F96-V128 HydrophobicContact CZ-CG2 3.97Å; F96-A130 HydrophobicContact CD1-CB 4.37Å; F96-A130 HydrophobicContact CE1-CB 3.81Å |
| 97 | Q | 85.4 | Confident | 75 | Confident | 121 Ų | 121 | 84.6 Ų | 84.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 169.6 | 169.9 | -66.7 | -177.1 | -70.7 | 0 | 0 | 111.3 | T112 | Q97-T112 PolarHBondContact N-O 3.33Å; Q97-T112 PolarHBondContact OE1-OG1 3.3Å |
| 98 | A | 84.2 | Confident | 75.8 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 75% | 0.752 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 150.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G100 | A98-G100 PolarHBondContact O-N 3.47Š|
| 99 | W | 79.3 | Confident | 76.7 | Confident | 68 Ų | 68 | 82 Ų | 82 | 26% | 0.258 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 129.3 | 174.4 | -72.3 | 95.9 | 0 | 0 | 0 | 109.6 | W84 K109 R111 A130 K132 | W84-W99 HydrophobicContact CH2-CZ2 4.12Å; W84-W99 HydrophobicContact CZ3-CH2 4.42Å; W84-W99 HydrophobicContact CZ3-CZ2 4.31Å; W99-K109 HydrophobicContact CB-CD 3.97Å; W99-K109 HydrophobicContact CD2-CD 4.14Å; W99-K109 HydrophobicContact CD2-CG 4.32Å; W99-K109 HydrophobicContact CE3-CB 4.37Å; W99-K109 HydrophobicContact CE3-CD 4.01Å; W99-K109 HydrophobicContact CE3-CG 3.69Å; W99-K109 HydrophobicContact CG-CD 4.15Å; W99-K109 VanDerWaalsContact CG-NZ 3.3Å; W99-K109 HydrophobicContact CZ3-CG 4.25Å; W99-K109 WeakPolarHBondContact CZ3-O 3.44Å; W99-R111 HydrophobicContact CD2-CB 4.35Å; W99-R111 HydrophobicContact CD2-CG 4.15Å; W99-R111 HydrophobicContact CE3-CB 3.94Å; W99-R111 HydrophobicContact CE3-CG 3.79Å; W99-R111 HydrophobicContact CH2-CG 3.98Å; W99-R111 HydrophobicContact CZ2-CG 4.33Å; W99-R111 VanDerWaalsContact CZ2-NE 3.33Å; W99-R111 HydrophobicContact CZ3-CB 4.28Å; W99-R111 HydrophobicContact CZ3-CG 3.71Å; W99-A130 HydrophobicContact CH2-CB 4.32Å; W99-A130 WeakPolarHBondContact CZ3-O 3.46Å; W99-K132 HydrophobicContact CE3-CB 4.22Å; W99-K132 HydrophobicContact CH2-CB 3.32Å; W99-K132 HydrophobicContact CH2-CD 4.25Å; W99-K132 HydrophobicContact CH2-CG 4.37Å; W99-K132 HydrophobicContact CZ2-CB 3.93Å; W99-K132 HydrophobicContact CZ2-CD 3.96Å; W99-K132 HydrophobicContact CZ3-CB 3.48Å; W99-K132 VanDerWaalsContact CZ3-CB 3.48Å |
| 100 | G | 82.1 | Confident | 77.8 | Confident | 33 Ų | 33 | 84.6 Ų | 84.6 | 34% | 0.34 | 47% | 0.468 | S | S | . | . | trans | -64.8 | 175.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A98 N110 | A98-G100 PolarHBondContact O-N 3.47Å; G100-N110 PolarHBondContact N-O 3.21Å | ||
| 101 | E | 79.9 | Confident | 78.8 | Confident | 189 Ų | 189 | 83.3 Ų | 83.3 | 88% | 0.883 | 44% | 0.44 | S | S | * | . | trans | -58.3 | 153.7 | 173.8 | -69 | -163.2 | 97 | 0 | 0 | 111.5 | D103 | E101-D103 PolarHBondContact O-N 3.35Š| ||
| 102 | C | 79.8 | Confident | 79.6 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 34% | 0.338 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 120 | 175 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | L104 C134 | C102-L104 PolarHBondContact O-N 3.01Å; C102-C134 WeakPolarHBondContact CA-SG 3.34Å; C102-C134 HydrophobicContact CB-CB 3.91Å; C102-C134 WeakPolarHBondContact CB-SG 3.46Å; C102-C134 WeakPolarHBondContact SG-CB 3.35Å; C102-C134 CovalentContact SG-SG 2Å; C102-C134 PolarHBondContact SG-SG 3.48Å |
| 103 | D | 80.6 | Confident | 80.1 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 39% | 0.385 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 114.4 | 166.6 | 177.8 | 3.8 | 0 | 0 | 0 | 108.6 | E101 V105 T106 G107 K108 | E101-D103 PolarHBondContact O-N 3.35Å; D103-V105 PolarHBondContact O-N 3.43Å; D103-V105 WeakPolarHBondContact OD1-CB 3.06Å; D103-V105 PolarHBondContact OD1-N 3Å; D103-T106 WeakPolarHBondContact CB-OG1 3.45Å; D103-T106 VanDerWaalsContact CG-OG1 3.25Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.17Å; D103-T106 PolarHBondContact OD2-OG1 2.97Å; D103-G107 VanDerWaalsContact O-CA 3.31Å; D103-G107 WeakPolarHBondContact O-CA 3.15Å; D103-G107 PolarHBondContact O-N 2.88Å; D103-K108 WeakPolarHBondContact CB-O 2.98Å; D103-K108 PolarHBondContact N-O 3.03Å; D103-K108 PolarHBondContact O-N 3.39Å |
| 104 | L | 73.8 | Confident | 80.2 | Confident | 160 Ų | 160 | 76.5 Ų | 76.5 | 84% | 0.838 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -21.4 | -178.4 | -61.5 | 177.7 | 0 | 0 | 0 | 112.5 | C102 | C102-L104 PolarHBondContact O-N 3.01Š|
| 105 | V | 73.6 | Confident | 80.3 | Confident | 134 Ų | 134 | 77.6 Ų | 77.6 | 81% | 0.812 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -43.1 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | D103 | D103-V105 PolarHBondContact O-N 3.43Å; D103-V105 WeakPolarHBondContact OD1-CB 3.06Å; D103-V105 PolarHBondContact OD1-N 3Å |
| 106 | T | 70.3 | Confident | 80.3 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -8.1 | -177.7 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | D103 K108 | D103-T106 WeakPolarHBondContact CB-OG1 3.45Å; D103-T106 VanDerWaalsContact CG-OG1 3.25Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.17Å; D103-T106 PolarHBondContact OD2-OG1 2.97Å; T106-K108 WeakPolarHBondContact O-CG 3.42Å; T106-K108 PolarHBondContact O-N 3.21Å; T106-K108 VanDerWaalsContact O-N 3.16Å |
| 107 | G | 71.6 | Confident | 80.1 | Confident | 13 Ų | 13 | 85.6 Ų | 85.6 | 13% | 0.134 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 21 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D103 C134 | D103-G107 VanDerWaalsContact O-CA 3.31Å; D103-G107 WeakPolarHBondContact O-CA 3.15Å; D103-G107 PolarHBondContact O-N 2.88Å; G107-C134 VanDerWaalsContact C-SG 3.55Å; G107-C134 WeakPolarHBondContact O-CB 3.39Å; G107-C134 PolarHBondContact O-N 3.35Å; G107-C134 PolarHBondContact O-SG 2.92Å |
| 108 | K | 77.6 | Confident | 79.7 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 46% | 0.457 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.8 | -171.5 | -72.5 | 167 | -167.1 | 176.8 | 0 | 109.5 | D103 T106 T131 | D103-K108 WeakPolarHBondContact CB-O 2.98Å; D103-K108 PolarHBondContact N-O 3.03Å; D103-K108 PolarHBondContact O-N 3.39Å; T106-K108 WeakPolarHBondContact O-CG 3.42Å; T106-K108 PolarHBondContact O-N 3.21Å; T106-K108 VanDerWaalsContact O-N 3.16Å; K108-T131 HydrophobicContact CB-CG2 3.74Å; K108-T131 HydrophobicContact CD-CG2 3.93Å; K108-T131 HydrophobicContact CG-CG2 4.04Å |
| 109 | K | 81.8 | Confident | 79.1 | Confident | 47 Ų | 47 | 81.6 Ų | 81.6 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.2 | 170 | 57.7 | -178.8 | -162.5 | 163.6 | 0 | 109.2 | W99 T131 K132 | W99-K109 HydrophobicContact CB-CD 3.97Å; W99-K109 HydrophobicContact CD2-CD 4.14Å; W99-K109 HydrophobicContact CD2-CG 4.32Å; W99-K109 HydrophobicContact CE3-CB 4.37Å; W99-K109 HydrophobicContact CE3-CD 4.01Å; W99-K109 HydrophobicContact CE3-CG 3.69Å; W99-K109 HydrophobicContact CG-CD 4.15Å; W99-K109 VanDerWaalsContact CG-NZ 3.3Å; W99-K109 HydrophobicContact CZ3-CG 4.25Å; W99-K109 WeakPolarHBondContact CZ3-O 3.44Å; K109-T131 WeakPolarHBondContact O-CA 3.39Å; K109-K132 HydrophobicContact CG-CB 4.28Å; K109-K132 VanDerWaalsContact CG-O 3.31Å; K109-K132 WeakPolarHBondContact CG-O 3.34Å; K109-K132 PolarHBondContact N-O 2.94Å; K109-K132 PolarHBondContact O-N 2.97Å |
| 110 | N | 82.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 87.6 Ų | 87.6 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 159 | 175.4 | 61.1 | 28.2 | 0 | 0 | 0 | 109.7 | G100 A130 | G100-N110 PolarHBondContact N-O 3.21Å; N110-A130 CarbonylContact C-O 3.59Å; N110-A130 WeakPolarHBondContact CA-O 3.5Å |
| 111 | R | 83.5 | Confident | 77.6 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 17% | 0.174 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147.5 | 162.7 | 67.1 | 178 | -177.7 | 168.6 | 7.8 | 109.1 | F96 W99 S129 A130 | F96-R111 HydrophobicContact CD1-CG 4.08Å; W99-R111 HydrophobicContact CD2-CB 4.35Å; W99-R111 HydrophobicContact CD2-CG 4.15Å; W99-R111 HydrophobicContact CE3-CB 3.94Å; W99-R111 HydrophobicContact CE3-CG 3.79Å; W99-R111 HydrophobicContact CH2-CG 3.98Å; W99-R111 HydrophobicContact CZ2-CG 4.33Å; W99-R111 VanDerWaalsContact CZ2-NE 3.33Å; W99-R111 HydrophobicContact CZ3-CB 4.28Å; W99-R111 HydrophobicContact CZ3-CG 3.71Å; R111-S129 CarbonylContact O-C 3.54Å; R111-S129 WeakPolarHBondContact O-CA 3.27Å; R111-A130 HydrophobicContact CG-CB 4Å; R111-A130 PolarHBondContact N-O 3.4Å; R111-A130 PolarHBondContact O-N 3.42Å |
| 112 | T | 83.3 | Confident | 77 | Confident | 71 Ų | 71 | 85.3 Ų | 85.3 | 44% | 0.436 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.3 | 174.6 | 39 | 0 | 0 | 0 | 0 | 109.8 | Q97 V128 | Q97-T112 PolarHBondContact N-O 3.33Å; Q97-T112 PolarHBondContact OE1-OG1 3.3Å; T112-V128 CarbonylContact C-O 3.55Å; T112-V128 WeakPolarHBondContact CA-O 3.35Å |
| 113 | G | 85 | Confident | 76.7 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D95 T127 V128 | D95-G113 CarbonylContact O-C 3.37Å; D95-G113 VanDerWaalsContact O-CA 3.22Å; D95-G113 WeakPolarHBondContact O-CA 3.49Å; G113-T127 CarbonylContact O-C 3.55Å; G113-T127 WeakPolarHBondContact O-CA 3.45Å; G113-V128 PolarHBondContact N-O 2.96Å; G113-V128 PolarHBondContact O-N 2.95Å |
| 114 | V | 84.5 | Confident | 76.4 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 46% | 0.461 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 138.5 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | F94 D95 K116 | F94-V114 CarbonylContact C-O 3.59Å; F94-V114 WeakPolarHBondContact CA-O 3.42Å; D95-V114 PolarHBondContact N-O 3Å; D95-V114 PolarHBondContact O-N 2.98Å; V114-K116 PolarHBondContact O-N 2.91Å |
| 115 | L | 82.5 | Confident | 76.5 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 25% | 0.246 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 123.4 | 178.9 | -176.2 | 66.3 | 0 | 0 | 0 | 110.3 | C92 F94 A118 C124 N126 | C92-L115 HydrophobicContact CB-CD1 4Å; F94-L115 HydrophobicContact CD1-CB 4Å; F94-L115 HydrophobicContact CD1-CD1 4.09Å; F94-L115 HydrophobicContact CE1-CB 3.74Å; F94-L115 HydrophobicContact CE1-CD1 3.66Å; F94-L115 HydrophobicContact CE1-CG 4.28Å; F94-L115 HydrophobicContact CE2-CD1 4.35Å; F94-L115 HydrophobicContact CZ-CD1 3.79Å; L115-A118 HydrophobicContact CD2-CB 4.46Å; L115-C124 HydrophobicContact CD1-CB 3.74Å; L115-C124 HydrophobicContact CD2-CB 3.69Å; L115-C124 HydrophobicContact CG-CB 4.38Å; L115-N126 PolarHBondContact N-O 3.46Å |
| 116 | K | 82.8 | Confident | 76.7 | Confident | 140 Ų | 140 | 83.1 Ų | 83.1 | 61% | 0.609 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -35.3 | 178.1 | -165.2 | 174.1 | -160.8 | 157.6 | 0 | 112.3 | K93 D95 V114 | K93-K116 PolarHBondContact O-N 3.35Å; D95-K116 HydrophobicContact CB-CB 4.4Å; D95-K116 HydrophobicContact CB-CD 4.26Å; D95-K116 WeakPolarHBondContact OD2-CD 3.12Å; D95-K116 IonicContact OD2-NZ 2.76Å; D95-K116 PolarHBondContact OD2-NZ 3.36Å; V114-K116 PolarHBondContact O-N 2.91Å |
| 117 | R | 79.4 | Confident | 77.2 | Confident | 162 Ų | 162 | 84.4 Ų | 84.4 | 61% | 0.611 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 129.6 | 178.5 | -173.4 | 164.5 | 118.7 | 87.3 | -4.4 | 110.2 | K93 | K93-R117 HydrophobicContact CB-CB 4.24Å; K93-R117 PolarHBondContact N-O 2.85Å; K93-R117 PolarHBondContact O-N 2.74Å; K93-R117 VanDerWaalsContact O-N 3.14Å |
| 118 | A | 75.1 | Confident | 77.7 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 31% | 0.314 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 149.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L115 C124 | L115-A118 HydrophobicContact CD2-CB 4.46Å; A118-C124 HydrophobicContact CB-CB 4.28Å; A118-C124 WeakPolarHBondContact CB-SG 3.43Å |
| 119 | L | 71.6 | Confident | 77.8 | Confident | 89 Ų | 89 | 83.9 Ų | 83.9 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | trans | -67 | 145.6 | 157.3 | -125.3 | 74.6 | 0 | 0 | 0 | 108.2 | E91 D121 A122 | E91-L119 PolarHBondContact O-N 2.69Å; L119-D121 PolarHBondContact O-N 3.5Å; L119-A122 HydrophobicContact CB-CB 4.49Å; L119-A122 PolarHBondContact O-N 3.29Å; L119-A122 VanDerWaalsContact O-N 3.08Å | ||
| 120 | M | 66.2 | Low | 77.7 | Confident | 194 Ų | 194 | 81.8 Ų | 81.8 | 96% | 0.956 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.7 | -170.1 | -74 | -176.2 | 151.3 | 0 | 0 | 114.3 | ||
| 121 | D | 65.1 | Low | 77.4 | Confident | 157 Ų | 157 | 80 Ų | 80 | 84% | 0.84 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 5.5 | -177.1 | -52.3 | -58.1 | 0 | 0 | 0 | 114.1 | L119 | L119-D121 PolarHBondContact O-N 3.5Š|
| 122 | A | 67.8 | Low | 77 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 15% | 0.149 | 45% | 0.448 | C | S | . | . | trans | -106.9 | 125 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E91 L119 C124 | E91-A122 HydrophobicContact CB-CB 3.72Å; E91-A122 HydrophobicContact CG-CB 4.46Å; L119-A122 HydrophobicContact CB-CB 4.49Å; L119-A122 PolarHBondContact O-N 3.29Å; L119-A122 VanDerWaalsContact O-N 3.08Å; A122-C124 PolarHBondContact O-N 2.97Å; A122-C124 VanDerWaalsContact O-N 3.09Å | ||
| 123 | T | 72.3 | Confident | 76.5 | Confident | 153 Ų | 153 | 81.2 Ų | 81.2 | 94% | 0.939 | 45% | 0.445 | S | S | * | . | trans | -79.5 | 90.7 | 170.1 | -59.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 124 | C | 73.8 | Confident | 75.9 | Confident | 16 Ų | 16 | 82.3 Ų | 82.3 | 11% | 0.108 | 45% | 0.453 | C | S | . | . | trans | -93.4 | 133.4 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 111 | C92 F94 L115 A118 A122 | C92-C124 HydrophobicContact CB-CB 3.73Å; C92-C124 WeakPolarHBondContact CB-SG 3.38Å; C92-C124 WeakPolarHBondContact SG-CB 3.41Å; C92-C124 CovalentContact SG-SG 2Å; C92-C124 PolarHBondContact SG-SG 2.93Å; F94-C124 HydrophobicContact CZ-CB 4.49Å; L115-C124 HydrophobicContact CD1-CB 3.74Å; L115-C124 HydrophobicContact CD2-CB 3.69Å; L115-C124 HydrophobicContact CG-CB 4.38Å; A118-C124 HydrophobicContact CB-CB 4.28Å; A118-C124 WeakPolarHBondContact CB-SG 3.43Å; A122-C124 PolarHBondContact O-N 2.97Å; A122-C124 VanDerWaalsContact O-N 3.09Å | ||
| 125 | P | 77 | Confident | 75.1 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 46% | 0.463 | S | S | . | . | trans | -65.5 | 144 | 169.3 | 26.7 | -33.1 | 0 | 0 | 0 | 110.7 | F94 T127 V128 | F94-P125 WeakPolarHBondContact CE1-O 3.26Å; F94-P125 HydrophobicContact CZ-CG 4.34Å; P125-T127 PolarHBondContact O-N 3.45Å; P125-V128 HydrophobicContact CG-CG1 3.72Å | ||
| 126 | N | 77.9 | Confident | 73.9 | Confident | 124 Ų | 124 | 89.1 Ų | 89.1 | 66% | 0.663 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -65 | -28.6 | -178.5 | -69.9 | 31.9 | 0 | 0 | 0 | 113 | L115 | L115-N126 PolarHBondContact N-O 3.46Š|
| 127 | T | 81.3 | Confident | 72.5 | Confident | 96 Ų | 96 | 88.5 Ų | 88.5 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 143.6 | 179.7 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | G113 P125 | G113-T127 CarbonylContact O-C 3.55Å; G113-T127 WeakPolarHBondContact O-CA 3.45Å; P125-T127 PolarHBondContact O-N 3.45Å |
| 128 | V | 81.3 | Confident | 70.9 | Confident | 20 Ų | 20 | 85.8 Ų | 85.8 | 12% | 0.121 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.2 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | F88 F94 F96 T112 G113 P125 | F88-V128 HydrophobicContact CD1-CB 4.35Å; F88-V128 HydrophobicContact CD1-CG2 4.04Å; F88-V128 HydrophobicContact CE1-CB 3.7Å; F88-V128 HydrophobicContact CE1-CG1 4.16Å; F88-V128 HydrophobicContact CE1-CG2 3.7Å; F94-V128 HydrophobicContact CB-CG2 4.19Å; F94-V128 HydrophobicContact CD1-CG1 4.23Å; F94-V128 HydrophobicContact CD1-CG2 3.57Å; F94-V128 HydrophobicContact CD2-CG2 4.09Å; F94-V128 HydrophobicContact CE1-CB 4.39Å; F94-V128 HydrophobicContact CE1-CG1 3.66Å; F94-V128 HydrophobicContact CE1-CG2 3.9Å; F94-V128 HydrophobicContact CE2-CG1 4.1Å; F94-V128 HydrophobicContact CE2-CG2 4.35Å; F94-V128 HydrophobicContact CG-CG2 3.69Å; F94-V128 HydrophobicContact CZ-CG1 3.59Å; F94-V128 HydrophobicContact CZ-CG2 4.28Å; F96-V128 HydrophobicContact CE1-CG2 3.9Å; F96-V128 HydrophobicContact CZ-CG2 3.97Å; T112-V128 CarbonylContact C-O 3.55Å; T112-V128 WeakPolarHBondContact CA-O 3.35Å; G113-V128 PolarHBondContact N-O 2.96Å; G113-V128 PolarHBondContact O-N 2.95Å; P125-V128 HydrophobicContact CG-CG1 3.72Å |
| 129 | S | 80.4 | Confident | 69.5 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.5 | 174.1 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | R111 | R111-S129 CarbonylContact O-C 3.54Å; R111-S129 WeakPolarHBondContact O-CA 3.27Å |
| 130 | A | 77.9 | Confident | 67.9 | Low | 2 Ų | 2 | 93.7 Ų | 93.7 | 2% | 0.017 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F88 F96 W99 N110 R111 | F88-A130 HydrophobicContact CE2-CB 3.91Å; F88-A130 HydrophobicContact CZ-CB 4.01Å; F96-A130 HydrophobicContact CD1-CB 4.37Å; F96-A130 HydrophobicContact CE1-CB 3.81Å; W99-A130 HydrophobicContact CH2-CB 4.32Å; W99-A130 WeakPolarHBondContact CZ3-O 3.46Å; N110-A130 CarbonylContact C-O 3.59Å; N110-A130 WeakPolarHBondContact CA-O 3.5Å; R111-A130 HydrophobicContact CG-CB 4Å; R111-A130 PolarHBondContact N-O 3.4Å; R111-A130 PolarHBondContact O-N 3.42Å |
| 131 | T | 77.6 | Confident | 66.7 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.3 | -180 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | K108 K109 | K108-T131 HydrophobicContact CB-CG2 3.74Å; K108-T131 HydrophobicContact CD-CG2 3.93Å; K108-T131 HydrophobicContact CG-CG2 4.04Å; K109-T131 WeakPolarHBondContact O-CA 3.39Å |
| 132 | K | 74.1 | Confident | 65.7 | Low | 82 Ų | 82 | 92.7 Ų | 92.7 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.7 | 175.2 | -176.5 | -175.5 | 175.7 | -172.4 | 0 | 109.7 | W99 K109 C134 | W99-K132 HydrophobicContact CE3-CB 4.22Å; W99-K132 HydrophobicContact CH2-CB 3.32Å; W99-K132 HydrophobicContact CH2-CD 4.25Å; W99-K132 HydrophobicContact CH2-CG 4.37Å; W99-K132 HydrophobicContact CZ2-CB 3.93Å; W99-K132 HydrophobicContact CZ2-CD 3.96Å; W99-K132 HydrophobicContact CZ3-CB 3.48Å; W99-K132 VanDerWaalsContact CZ3-CB 3.48Å; K109-K132 HydrophobicContact CG-CB 4.28Å; K109-K132 VanDerWaalsContact CG-O 3.31Å; K109-K132 WeakPolarHBondContact CG-O 3.34Å; K109-K132 PolarHBondContact N-O 2.94Å; K109-K132 PolarHBondContact O-N 2.97Å; K132-C134 PolarHBondContact O-N 3.13Å |
| 133 | P | 73.1 | Confident | 64.8 | Low | 59 Ų | 59 | 100.5 Ų | 100.5 | 38% | 0.383 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.5 | 137.4 | 171.4 | 24.3 | -32.9 | 0 | 0 | 0 | 110.4 | G135 | P133-G135 PolarHBondContact O-N 3.04Å |
| 134 | C | 72.5 | Confident | 63.3 | Low | 23 Ų | 23 | 96.2 Ų | 96.2 | 16% | 0.155 | 54% | 0.54 | C | S | . | . | trans | -68.9 | 115.4 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | C102 G107 K132 | C102-C134 WeakPolarHBondContact CA-SG 3.34Å; C102-C134 HydrophobicContact CB-CB 3.91Å; C102-C134 WeakPolarHBondContact CB-SG 3.46Å; C102-C134 WeakPolarHBondContact SG-CB 3.35Å; C102-C134 CovalentContact SG-SG 2Å; C102-C134 PolarHBondContact SG-SG 3.48Å; G107-C134 VanDerWaalsContact C-SG 3.55Å; G107-C134 WeakPolarHBondContact O-CB 3.39Å; G107-C134 PolarHBondContact O-N 3.35Å; G107-C134 PolarHBondContact O-SG 2.92Å; K132-C134 PolarHBondContact O-N 3.13Å | ||
| 135 | G | 67.1 | Low | 61.6 | Low | 65 Ų | 65 | 106.6 Ų | 106.6 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -73 | 130.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P133 | P133-G135 PolarHBondContact O-N 3.04Š|
| 136 | K | 56.7 | Low | 60.1 | Low | 201 Ų | 201 | 109.4 Ų | 109.4 | 87% | 0.874 | 59% | 0.587 | S | S | * | * | trans | 83.9 | 66.1 | 179 | -43.7 | 177.7 | -160.9 | -173.3 | 0 | 114.7 | P138 | K136-P138 WeakPolarHBondContact O-CD 3.39Š| ||
| 137 | I | 54.5 | Low | 58.5 | Low | 128 Ų | 128 | 115.6 Ų | 115.6 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | trans | -73.8 | 114.9 | 132.3 | -54.6 | 163.9 | 0 | 0 | 0 | 103.6 | K139 | I137-K139 PolarHBondContact O-N 3.03Š| ||
| 138 | P | 44.9 | Very low | 56.6 | Low | 105 Ų | 105 | 114.1 Ų | 114.1 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | trans | -62.7 | 94.9 | 174.1 | 25.2 | -30.2 | 0 | 0 | 0 | 107.3 | K136 T140 | K136-P138 WeakPolarHBondContact O-CD 3.39Å; P138-T140 PolarHBondContact O-N 3.07Å | ||
| 139 | K | 46.7 | Very low | 54.8 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -61.5 | 92.2 | 152.1 | -85.2 | -175 | 174.7 | 174.4 | 0 | 104.4 | I137 K141 | I137-K139 PolarHBondContact O-N 3.03Å; K139-K141 PolarHBondContact O-N 3.15Å | ||
| 140 | T | 38.6 | Very low | 53 | Low | 117 Ų | 117 | 119.1 Ų | 119.1 | 72% | 0.718 | 64% | 0.637 | S | S | * | * | trans | -38.4 | 129.6 | 171.9 | -49.1 | 0 | 0 | 0 | 0 | 107.5 | P138 L142 | P138-T140 PolarHBondContact O-N 3.07Å; T140-L142 PolarHBondContact O-N 3.44Å | ||
| 141 | K | 39.8 | Very low | 51.4 | Low | 192 Ų | 192 | 122.7 Ų | 122.7 | 84% | 0.835 | 67% | 0.674 | S | S | * | * | trans | -63.5 | 73.2 | 177.4 | -71.7 | -132.9 | -173 | 179.8 | 0 | 110.3 | K139 | K139-K141 PolarHBondContact O-N 3.15Š| ||
| 142 | L | 45.3 | Very low | 49.9 | Very low | 138 Ų | 138 | 128 Ų | 128 | 72% | 0.723 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -3.8 | 172 | -155.5 | 78.3 | 0 | 0 | 0 | 112 | T140 | T140-L142 PolarHBondContact O-N 3.44Š|
| 143 | Q | 48.6 | Very low | 48.4 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 4.9 | 175.7 | -75.3 | -175.5 | -19.3 | 0 | 0 | 113.8 | ||
| 144 | G | 39.7 | Very low | 47 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -101.8 | -13.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 145 | R | 39.3 | Very low | 45.6 | Very low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -139.5 | 30.1 | -169 | -154.8 | -168.9 | -90 | -116.6 | 0.5 | 114.6 | ||
| 146 | L | 43.8 | Very low | 44.6 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -120.1 | 17.4 | 167.2 | -76.1 | 170.3 | 0 | 0 | 0 | 112.5 | ||
| 147 | R | 45.4 | Very low | 44 | Very low | 253 Ų | 253 | 141 Ų | 141 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -114.8 | 38.8 | 179.2 | -146.1 | -178.5 | -166.7 | -156.3 | 2.8 | 112.4 | ||
| 148 | G | 42 | Very low | 43.6 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -146.4 | -4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 149 | S | 43.8 | Very low | 43.7 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -159.7 | 37.3 | -174.6 | -39.5 | 0 | 0 | 0 | 0 | 115 | ||
| 150 | V | 41.9 | Very low | 43.7 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -132.1 | 56 | 163.4 | -167.9 | 0 | 0 | 0 | 0 | 108.3 | I154 | V150-I154 HydrophobicContact CG1-CD1 4.39Å; V150-I154 HydrophobicContact CG1-CG1 4.41Å | ||
| 151 | G | 44.4 | Very low | 43.8 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -107.4 | 5.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 152 | E | 44.9 | Very low | 44.2 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -144.2 | 22.7 | -170.8 | -162.3 | 118.2 | 79.1 | 0 | 0 | 115.2 | ||
| 153 | L | 42.6 | Very low | 44.1 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -138.6 | 12.2 | 175.6 | -110.1 | 115.1 | 0 | 0 | 0 | 117.2 | ||
| 154 | I | 44.8 | Very low | 44.1 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 68% | 0.677 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -108.2 | 21.2 | 176.2 | 6 | 173.1 | 0 | 0 | 0 | 113.8 | V150 | V150-I154 HydrophobicContact CG1-CD1 4.39Å; V150-I154 HydrophobicContact CG1-CG1 4.41Å |
| 155 | S | 42.7 | Very low | 44 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -98.8 | 13.5 | 171.2 | -78.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 156 | K | 46.8 | Very low | 44 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -136.5 | 68.6 | 172.5 | -83.7 | -177 | 173.6 | 177.2 | 0 | 111.3 | ||
| 157 | A | 42.6 | Very low | 44 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | -159 | 21.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 158 | I | 47.7 | Very low | 43.8 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | trans | -90.9 | -12.2 | 179.2 | -63.4 | 176.8 | 0 | 0 | 0 | 112.5 | L160 | I158-L160 PolarHBondContact O-N 2.93Š| ||
| 159 | D | 45.5 | Very low | 43.7 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -98.4 | 85 | 172.5 | -82.2 | -68.8 | 0 | 0 | 0 | 111.4 | ||
| 160 | L | 47.4 | Very low | 44.2 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 164.9 | 88.6 | 138.1 | -112 | 64.5 | 0 | 0 | 0 | 109.9 | I158 | I158-L160 PolarHBondContact O-N 2.93Š|
| 161 | H | 40.3 | Very low | 45.1 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 79% | 0.787 | 83% | 0.827 | S | S | * | * | 175.8 | 82.3 | 125.9 | -94.9 | 153.3 | 0 | 0 | 0 | 108.9 | V163 | H161-V163 HydrophobicContact CB-CG2 4.42Å; H161-V163 PolarHBondContact O-N 3.24Å | |||
| 162 | T | 48.6 | Very low | 45.1 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -75.4 | 106.1 | 147.2 | -55.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 163 | V | 43.5 | Very low | 45.1 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 67% | 0.673 | 83% | 0.828 | S | S | * | * | trans | -134.3 | 118.6 | 157.4 | -151.7 | 0 | 0 | 0 | 0 | 106.9 | H161 | H161-V163 HydrophobicContact CB-CG2 4.42Å; H161-V163 PolarHBondContact O-N 3.24Å | ||
| 164 | P | 47.7 | Very low | 45.2 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 71% | 0.708 | 83% | 0.828 | S | S | * | * | trans | -75 | 137.3 | -176.5 | 29 | -31.4 | 0 | 0 | 0 | 111 | E166 | P164-E166 PolarHBondContact O-N 3.33Å; P164-E166 VanDerWaalsContact O-N 3.16Å | ||
| 165 | C | 37.7 | Very low | 45.3 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 96% | 0.959 | 84% | 0.836 | S | S | * | * | trans | -68.1 | 102.8 | 165.6 | -90.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 166 | E | 40.5 | Very low | 45.4 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | -94.9 | 137.8 | 164.6 | -160.6 | 133.4 | 87.9 | 0 | 0 | 110.5 | P164 | P164-E166 PolarHBondContact O-N 3.33Å; P164-E166 VanDerWaalsContact O-N 3.16Å | ||
| 167 | S | 43.8 | Very low | 45.3 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | -71.1 | 126.1 | -167.1 | -173.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 168 | I | 40.8 | Very low | 45.5 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 83% | 0.826 | 84% | 0.842 | S | S | * | * | trans | -106.5 | 113.9 | 168.1 | -61.8 | 175.6 | 0 | 0 | 0 | 108.6 | ||||
| 169 | R | 39.9 | Very low | 45.4 | Very low | 230 Ų | 230 | 152 Ų | 152 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | trans | -86.6 | 141 | 165.3 | -106.8 | -172.4 | -79.2 | -145.8 | -3.1 | 109.7 | ||||
| 170 | P | 54.8 | Low | 45.3 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 85% | 0.845 | S | S | * | * | trans | -105.4 | 173.9 | 167.7 | 40.9 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 171 | P | 59.3 | Low | 45.2 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 100% | 1.299 | 85% | 0.85 | S | S | * | * | trans | -81.1 | 0 | -133.8 | 34.2 | -38.9 | 0 | 0 | 0 | 116.7 |
Retrieved 171 of 171 residues in 38.9 ms
(Link to these results)